smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)NCc1sc([C@@H]2CCCO2)nc1C(C)C ZINC000082430612 178008490 /nfs/dbraw/zinc/00/84/90/178008490.db2.gz GXHLLGODQSJJIF-NSHDSACASA-N 0 3 268.426 3.616 10 0 CHAEHN CC(C)c1nc(N2CCCC[C@@H]2C)sc1CNC1CC1 ZINC000082434783 178012372 /nfs/dbraw/zinc/01/23/72/178012372.db2.gz HZWGMCAHAXISEX-LBPRGKRZSA-N 0 3 293.480 3.897 10 0 CHAEHN CCCc1nc(C(C)(C)C)c(CNC2CC2)s1 ZINC000082438949 178016903 /nfs/dbraw/zinc/01/69/03/178016903.db2.gz UZOGTHIOAVZBAJ-UHFFFAOYSA-N 0 3 252.427 3.645 10 0 CHAEHN Cc1ccccc1-n1ncc(CNC(C)C)c1C(F)(F)F ZINC000082661564 178148638 /nfs/dbraw/zinc/14/86/38/178148638.db2.gz CATPUOJSDNGIGX-UHFFFAOYSA-N 0 3 297.324 3.698 10 0 CHAEHN CC(C)CNCc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000082661523 178148884 /nfs/dbraw/zinc/14/88/84/178148884.db2.gz PQTXWRPEJDOOBW-UHFFFAOYSA-N 0 3 297.324 3.637 10 0 CHAEHN C[C@@H](N)c1cc2ccc(Br)cc2s1 ZINC000096884430 185120300 /nfs/dbraw/zinc/12/03/00/185120300.db2.gz CTADMYOAXQCLKM-ZCFIWIBFSA-N 0 3 256.168 3.684 10 0 CHAEHN C[C@H](N)c1cc2ccc(Br)cc2s1 ZINC000096884429 185120574 /nfs/dbraw/zinc/12/05/74/185120574.db2.gz CTADMYOAXQCLKM-LURJTMIESA-N 0 3 256.168 3.684 10 0 CHAEHN COc1cc(CC(C)C)c(OC)c2c1C(C)(C)CN[C@H]2C ZINC000096889028 185123943 /nfs/dbraw/zinc/12/39/43/185123943.db2.gz PRDZQBPZMSSKDM-LBPRGKRZSA-N 0 3 291.435 3.844 10 0 CHAEHN CCCCSc1nc2ccccn2c1CNC(C)C ZINC000104302887 185960227 /nfs/dbraw/zinc/96/02/27/185960227.db2.gz MFRWSQJGUPAXLF-UHFFFAOYSA-N 0 3 277.437 3.725 10 0 CHAEHN CCC(CC)[C@@H](C)NCC(=O)Nc1cccc(Cl)c1 ZINC000104435988 186001560 /nfs/dbraw/zinc/00/15/60/186001560.db2.gz ICCIGQIWJMFZAF-LLVKDONJSA-N 0 3 282.815 3.693 10 0 CHAEHN COc1ccc(Cl)c2c1CCC(CN1CCCC1)=C2 ZINC000169324703 188658626 /nfs/dbraw/zinc/65/86/26/188658626.db2.gz PPIUTSPIBBWDGC-UHFFFAOYSA-N 0 3 277.795 3.774 10 0 CHAEHN CCCN1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3 ZINC000005833984 170145564 /nfs/dbraw/zinc/14/55/64/170145564.db2.gz WZJSIHGOLMMBAL-MRXNPFEDSA-N 0 3 279.383 3.925 10 0 in-vivo CHAEHN O=C(CCN1CCCCC1)c1ccc(Br)cc1 ZINC000006092686 170175754 /nfs/dbraw/zinc/17/57/54/170175754.db2.gz DSZCXXAJMFOORJ-UHFFFAOYSA-N 0 3 296.208 3.508 10 0 CHAEHN CCc1ccc(Sc2ccccc2CNC)c(N)c1 ZINC000013646017 170572730 /nfs/dbraw/zinc/57/27/30/170572730.db2.gz XIVFNOGFYONSDE-UHFFFAOYSA-N 0 3 272.417 3.702 10 0 CHAEHN Cc1ccc([C@@H](C)N[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000020129316 171016838 /nfs/dbraw/zinc/01/68/38/171016838.db2.gz ZMXCYJBMIORERI-APWZRJJASA-N 0 3 282.431 3.949 10 0 CHAEHN c1ccc2c(c1)CC[C@H]2N[C@@H]1CCOc2ccccc21 ZINC000020130032 171018764 /nfs/dbraw/zinc/01/87/64/171018764.db2.gz RHPJUSONSUDWHK-IAGOWNOFSA-N 0 3 265.356 3.787 10 0 CHAEHN CCOc1cc(CN[C@@H](C)c2cccc(F)c2)ccc1O ZINC000020147774 171035043 /nfs/dbraw/zinc/03/50/43/171035043.db2.gz MOZBWGGHVYSRAA-LBPRGKRZSA-N 0 3 289.350 3.781 10 0 CHAEHN C=COCCCNCc1cccc(Cl)c1Cl ZINC000020197634 171061920 /nfs/dbraw/zinc/06/19/20/171061920.db2.gz NRDPQFGGTNCCTF-UHFFFAOYSA-N 0 3 260.164 3.633 10 0 CHAEHN C[C@H](NCc1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000020209653 171073293 /nfs/dbraw/zinc/07/32/93/171073293.db2.gz MXNOHPSJBUMTLU-NSHDSACASA-N 0 3 261.752 3.896 10 0 CHAEHN CN(Cc1ccc(Cl)cc1)[C@@H](CN)c1ccccc1F ZINC000020225610 171087989 /nfs/dbraw/zinc/08/79/89/171087989.db2.gz AFRXNIJLMGSRPV-INIZCTEOSA-N 0 3 292.785 3.611 10 0 CHAEHN CCc1ccc([C@@H](CN)N(C)Cc2ccccc2F)cc1 ZINC000020225706 171088100 /nfs/dbraw/zinc/08/81/00/171088100.db2.gz ZZNXFTKBHOJIPB-GOSISDBHSA-N 0 3 286.394 3.520 10 0 CHAEHN CN(Cc1ccc(Cl)cc1)[C@H](CN)c1ccc(F)cc1 ZINC000020225665 171088985 /nfs/dbraw/zinc/08/89/85/171088985.db2.gz RHGKIRVYSRSPHJ-MRXNPFEDSA-N 0 3 292.785 3.611 10 0 CHAEHN CN(CC(C)(C)C)[C@H](CN)c1ccc(Cl)cc1Cl ZINC000020226703 171090877 /nfs/dbraw/zinc/09/08/77/171090877.db2.gz JCCHYDVBZMAXSG-CYBMUJFWSA-N 0 3 289.250 3.971 10 0 CHAEHN CC(C)CN(C)[C@@H](CN)c1cccc(Cl)c1Cl ZINC000020226730 171090896 /nfs/dbraw/zinc/09/08/96/171090896.db2.gz BLXFHQCIJOFGBZ-LBPRGKRZSA-N 0 3 275.223 3.581 10 0 CHAEHN CC(C)CN(C)[C@@H](CN)c1c(Cl)cccc1Cl ZINC000020226714 171092097 /nfs/dbraw/zinc/09/20/97/171092097.db2.gz KEKHOKKQSOSCPB-LBPRGKRZSA-N 0 3 275.223 3.581 10 0 CHAEHN C[C@@H](N)c1ccccc1OCc1cccc2cccnc21 ZINC000020246135 171099566 /nfs/dbraw/zinc/09/95/66/171099566.db2.gz YDXMFGSVYVXDSS-CYBMUJFWSA-N 0 3 278.355 3.834 10 0 CHAEHN C[C@H](N)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000020267874 171124405 /nfs/dbraw/zinc/12/44/05/171124405.db2.gz LILMDPNASMIPBN-QMMMGPOBSA-N 0 3 255.239 3.985 10 0 CHAEHN CC(C)[C@@H](C)NCc1ccc(F)cc1Br ZINC000020364010 171162712 /nfs/dbraw/zinc/16/27/12/171162712.db2.gz PORVGDGEPPJFLQ-SECBINFHSA-N 0 3 274.177 3.722 10 0 CHAEHN Cc1ccccc1[C@H](N)c1ccccc1Br ZINC000020391320 171180117 /nfs/dbraw/zinc/18/01/17/171180117.db2.gz NNJULVYQXAOSJS-AWEZNQCLSA-N 0 3 276.177 3.806 10 0 CHAEHN Cc1ccc([C@H](N)c2ccc(OC(C)C)cc2)cc1 ZINC000020434863 171200707 /nfs/dbraw/zinc/20/07/07/171200707.db2.gz GCFZMXYUSAHGHQ-KRWDZBQOSA-N 0 3 255.361 3.830 10 0 CHAEHN COc1ccc(Oc2cccc(Cl)c2CN)cc1 ZINC000020470314 171212317 /nfs/dbraw/zinc/21/23/17/171212317.db2.gz JDYAFNPCSSQZIJ-UHFFFAOYSA-N 0 3 263.724 3.600 10 0 CHAEHN Cc1ccc(C)c([C@H](N)c2cncc(Br)c2)c1 ZINC000020480956 171221964 /nfs/dbraw/zinc/22/19/64/171221964.db2.gz SOPKYQYXKLQCKL-CQSZACIVSA-N 0 3 291.192 3.509 10 0 CHAEHN COc1ccc([C@@H](N)c2ccc(F)cc2)cc1Cl ZINC000020521892 171234904 /nfs/dbraw/zinc/23/49/04/171234904.db2.gz BTHIQHULVSEJTQ-AWEZNQCLSA-N 0 3 265.715 3.536 10 0 CHAEHN Cc1cccc(O[C@H](C)[C@H](N)c2ccccc2)c1C ZINC000021057042 171296022 /nfs/dbraw/zinc/29/60/22/171296022.db2.gz DCUAHRWOTCUZKU-PBHICJAKSA-N 0 3 255.361 3.771 10 0 CHAEHN CC(C)(C)c1ccc(O[C@@H]2Cc3ccccc3[C@H]2N)cc1 ZINC000021504123 171306924 /nfs/dbraw/zinc/30/69/24/171306924.db2.gz BVTRZYUXHYGDRH-QZTJIDSGSA-N 0 3 281.399 3.988 10 0 CHAEHN CCc1cccc(O[C@H](C)[C@H](N)c2ccccc2)c1 ZINC000021505308 171307573 /nfs/dbraw/zinc/30/75/73/171307573.db2.gz CJDNCDVQHIGPQM-DYVFJYSZSA-N 0 3 255.361 3.716 10 0 CHAEHN CCCCCNCc1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000021813351 171330409 /nfs/dbraw/zinc/33/04/09/171330409.db2.gz AVFTXSOWWCLYDJ-CYBMUJFWSA-N 0 3 277.408 3.689 10 0 CHAEHN Cc1ccc([C@H](NCCN(C)C)c2ccccc2)c(C)c1 ZINC000022142067 171355527 /nfs/dbraw/zinc/35/55/27/171355527.db2.gz GKWWUBMZOYDGGL-LJQANCHMSA-N 0 3 282.431 3.544 10 0 CHAEHN COc1ccc(Oc2ncccc2CN)c(C(C)(C)C)c1 ZINC000022174748 171369935 /nfs/dbraw/zinc/36/99/35/171369935.db2.gz IRNWUSZBYYFNCT-UHFFFAOYSA-N 0 3 286.375 3.639 10 0 CHAEHN CN1CCN([C@@H]2C[C@H](c3ccccc3)c3ccccc32)CC1 ZINC000022778637 171399050 /nfs/dbraw/zinc/39/90/50/171399050.db2.gz PBNIVFQAAKTXAH-WOJBJXKFSA-N 0 3 292.426 3.511 10 0 CHAEHN N[C@H](COCc1ccc(Cl)cc1)c1ccccc1 ZINC000028521766 171561200 /nfs/dbraw/zinc/56/12/00/171561200.db2.gz VSSDGUVNWAKZNM-OAHLLOKOSA-N 0 3 261.752 3.557 10 0 CHAEHN CCC[C@@H](C)NCC(=O)Nc1c(Cl)cccc1Cl ZINC000035159869 172017804 /nfs/dbraw/zinc/01/78/04/172017804.db2.gz FQLXYENPSTUGGJ-SECBINFHSA-N 0 3 289.206 3.710 10 0 CHAEHN FC(F)(F)[C@H]1CCCC[C@H]1NCc1ccsc1 ZINC000035258184 172089511 /nfs/dbraw/zinc/08/95/11/172089511.db2.gz IVXJEQVAUZSZKN-WDEREUQCSA-N 0 3 263.328 3.959 10 0 CHAEHN Cc1ccc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC000035258120 172089722 /nfs/dbraw/zinc/08/97/22/172089722.db2.gz PEKMDTGHNUNXPU-NWDGAFQWSA-N 0 3 261.287 3.799 10 0 CHAEHN N[C@H](c1ccc(Br)s1)c1ccccc1 ZINC000035379513 172162026 /nfs/dbraw/zinc/16/20/26/172162026.db2.gz RKXZKGDIGFWZQI-NSHDSACASA-N 0 3 268.179 3.559 10 0 CHAEHN CN[C@H](c1cc(Br)ccc1OC)C(C)(C)C ZINC000035456156 172206579 /nfs/dbraw/zinc/20/65/79/172206579.db2.gz GULPTUSKGXFWJX-GFCCVEGCSA-N 0 3 286.213 3.764 10 0 CHAEHN CN[C@@H](c1ccc(C)c(C)c1)c1cc(F)cc(F)c1 ZINC000035457406 172207237 /nfs/dbraw/zinc/20/72/37/172207237.db2.gz POENENMFUHXCFI-INIZCTEOSA-N 0 3 261.315 3.890 10 0 CHAEHN CCc1ccc([C@@H](NC)c2sccc2C)s1 ZINC000035460528 172209363 /nfs/dbraw/zinc/20/93/63/172209363.db2.gz DBSUHAAKWFCMIE-GFCCVEGCSA-N 0 3 251.420 3.989 10 0 CHAEHN CN[C@H](c1occc1C)c1ccc2c(c1)CCCC2 ZINC000035459988 172209554 /nfs/dbraw/zinc/20/95/54/172209554.db2.gz IEXVFNZLYGBECT-INIZCTEOSA-N 0 3 255.361 3.776 10 0 CHAEHN CN[C@H](c1ccccc1)c1cccc(Br)c1 ZINC000035465020 172212566 /nfs/dbraw/zinc/21/25/66/172212566.db2.gz JJVUYKSEKDMPJP-CQSZACIVSA-N 0 3 276.177 3.758 10 0 CHAEHN CN[C@H](c1ccc(Cl)cc1)c1cc(F)cc(F)c1 ZINC000035464404 172212673 /nfs/dbraw/zinc/21/26/73/172212673.db2.gz LXVUPNCYBNHCSR-CQSZACIVSA-N 0 3 267.706 3.927 10 0 CHAEHN CN[C@H](c1ccccc1)c1ccc(OC(C)C)cc1 ZINC000035498639 172232531 /nfs/dbraw/zinc/23/25/31/172232531.db2.gz FXGIRSYIDXQMCX-QGZVFWFLSA-N 0 3 255.361 3.783 10 0 CHAEHN CN[C@@H](CC(C)C)c1cc(OC)c(OC)cc1Cl ZINC000035501264 172235662 /nfs/dbraw/zinc/23/56/62/172235662.db2.gz RJQTZGVOLIQTFZ-LBPRGKRZSA-N 0 3 271.788 3.664 10 0 CHAEHN CCCC[C@@H](NC)c1cc2c(cc1Cl)OCCO2 ZINC000035501331 172235803 /nfs/dbraw/zinc/23/58/03/172235803.db2.gz UQBIXNUZCMVBFS-GFCCVEGCSA-N 0 3 269.772 3.562 10 0 CHAEHN CCN[C@@H](c1ccc(OC)cc1)c1ccccc1F ZINC000035540854 172248069 /nfs/dbraw/zinc/24/80/69/172248069.db2.gz LNIYBCPREKNBQD-INIZCTEOSA-N 0 3 259.324 3.533 10 0 CHAEHN CCN[C@H](CC(F)(F)F)c1ccc(OCC)cc1 ZINC000035541362 172248869 /nfs/dbraw/zinc/24/88/69/172248869.db2.gz WWQHCXVHWRFBHT-GFCCVEGCSA-N 0 3 261.287 3.688 10 0 CHAEHN CCN[C@@H](CC(F)(F)F)c1ccc(F)c(F)c1 ZINC000035549130 172256347 /nfs/dbraw/zinc/25/63/47/172256347.db2.gz ZEOBDAPZCKGMOM-JTQLQIEISA-N 0 3 253.214 3.568 10 0 CHAEHN CCN[C@@H](c1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000035549030 172256831 /nfs/dbraw/zinc/25/68/31/172256831.db2.gz WLZBEUSDXCZLLS-HNNXBMFYSA-N 0 3 265.278 3.803 10 0 CHAEHN CCN[C@H](C)c1cc(OCC)c(OCC)cc1Cl ZINC000035557250 172262304 /nfs/dbraw/zinc/26/23/04/172262304.db2.gz XQLOWJDOQDSRPO-SNVBAGLBSA-N 0 3 271.788 3.808 10 0 CHAEHN CCC[C@@H](NCC)c1cc(OC)c(OC)cc1Cl ZINC000035557534 172262589 /nfs/dbraw/zinc/26/25/89/172262589.db2.gz PQWBUHUARNJNMX-GFCCVEGCSA-N 0 3 271.788 3.808 10 0 CHAEHN CCN[C@H](Cc1ncc[nH]1)c1cccc(Cl)c1Cl ZINC000035570513 172266463 /nfs/dbraw/zinc/26/64/63/172266463.db2.gz GTRLYOUPMBQZDD-LLVKDONJSA-N 0 3 284.190 3.610 10 0 CHAEHN CCCN[C@@H](c1ccncc1)c1cc(C)ccc1C ZINC000035581601 172277991 /nfs/dbraw/zinc/27/79/91/172277991.db2.gz TXVPTAYUNHFVSX-KRWDZBQOSA-N 0 3 254.377 3.787 10 0 CHAEHN CCCN[C@@H](C)c1cc(Br)ccc1OCC ZINC000035586847 172286594 /nfs/dbraw/zinc/28/65/94/172286594.db2.gz ARLXBLDYVMQXSQ-JTQLQIEISA-N 0 3 286.213 3.908 10 0 CHAEHN CCCN[C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000035654191 172330346 /nfs/dbraw/zinc/33/03/46/172330346.db2.gz FHYKLOOAVBLJCA-LLVKDONJSA-N 0 3 260.164 3.817 10 0 CHAEHN CCc1cc2c(c(C(C)(C)C)c1)OC[C@H]2NC1CC1 ZINC000035654405 172331225 /nfs/dbraw/zinc/33/12/25/172331225.db2.gz DGGBQQOELRYLBA-OAHLLOKOSA-N 0 3 259.393 3.732 10 0 CHAEHN CN(Cc1cccs1)[C@H](CN)c1ccc(Cl)s1 ZINC000035717102 172371464 /nfs/dbraw/zinc/37/14/64/172371464.db2.gz HFQPBNSYMITKAE-SNVBAGLBSA-N 0 3 286.853 3.595 10 0 CHAEHN C[C@H](N)c1cc(F)ccc1N(C)Cc1ccsc1 ZINC000035719365 172373706 /nfs/dbraw/zinc/37/37/06/172373706.db2.gz KYDCRGYTFHLROV-JTQLQIEISA-N 0 3 264.369 3.543 10 0 CHAEHN COC(=O)C[C@@H](C)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000035748230 172395879 /nfs/dbraw/zinc/39/58/79/172395879.db2.gz BLDPLKSTXQVLFK-RKDXNWHRSA-N 0 3 290.190 3.596 10 0 CHAEHN CC[C@@H](C)CN(C)c1ccc(F)cc1[C@@H](C)NC ZINC000037173496 173007780 /nfs/dbraw/zinc/00/77/80/173007780.db2.gz PWOFUIIDIWXHTB-VXGBXAGGSA-N 0 3 252.377 3.588 10 0 CHAEHN COc1ccc(CN[C@@H](c2cccs2)C(C)C)cn1 ZINC000037235994 173054255 /nfs/dbraw/zinc/05/42/55/173054255.db2.gz WJTIOHQFONMGOK-OAHLLOKOSA-N 0 3 276.405 3.639 10 0 CHAEHN CN[C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000037239431 173055933 /nfs/dbraw/zinc/05/59/33/173055933.db2.gz XUZBBRVPQFWYNJ-AWEZNQCLSA-N 0 3 268.385 3.800 10 0 CHAEHN CCc1ccc(C(=O)[C@H](C)N(C)[C@@H](C)C(C)C)cc1 ZINC000037339100 173140448 /nfs/dbraw/zinc/14/04/48/173140448.db2.gz GUVMUASEUJPHPB-KBPBESRZSA-N 0 3 261.409 3.797 10 0 CHAEHN CCN[C@@H](c1ccccc1)c1cc(C)ccc1OC ZINC000037409608 173186049 /nfs/dbraw/zinc/18/60/49/173186049.db2.gz QMQIOGMWRIDDMC-KRWDZBQOSA-N 0 3 255.361 3.703 10 0 CHAEHN CC[C@H](C)[C@H](N)c1nc2cc(C)ccc2n1C(C)C ZINC000037438570 173208719 /nfs/dbraw/zinc/20/87/19/173208719.db2.gz WZJJLDDGLAPIGJ-WFASDCNBSA-N 0 3 259.397 3.972 10 0 CHAEHN CCC[C@H](N)c1nc2cc(Cl)ccc2n1C1CC1 ZINC000037440788 173210445 /nfs/dbraw/zinc/21/04/45/173210445.db2.gz FSWUZQYWMOTKFX-NSHDSACASA-N 0 3 263.772 3.825 10 0 CHAEHN CCn1c([C@@H]2CCCCN2)nc2cccc(Cl)c21 ZINC000037444019 173211796 /nfs/dbraw/zinc/21/17/96/173211796.db2.gz LRCZHJNJONFPIC-LBPRGKRZSA-N 0 3 263.772 3.524 10 0 CHAEHN CC[C@@H](N)c1nc2cccc(Cl)c2n1C(C)C ZINC000037444253 173211903 /nfs/dbraw/zinc/21/19/03/173211903.db2.gz LCXYMVYOIRXEKC-SNVBAGLBSA-N 0 3 251.761 3.680 10 0 CHAEHN CC(C)[C@@H](N)c1nc2cccc(Cl)c2n1C1CC1 ZINC000037444421 173212160 /nfs/dbraw/zinc/21/21/60/173212160.db2.gz ZCAKNSUGLBKVFG-GFCCVEGCSA-N 0 3 263.772 3.680 10 0 CHAEHN C[C@](N)(c1ccc(F)cc1)c1ccccc1Br ZINC000037529763 173252886 /nfs/dbraw/zinc/25/28/86/173252886.db2.gz DRDHDDGUDSWBSA-AWEZNQCLSA-N 0 3 294.167 3.810 10 0 CHAEHN C[C@@](N)(c1ccc(F)cc1)c1cccc(Br)c1 ZINC000037529746 173253057 /nfs/dbraw/zinc/25/30/57/173253057.db2.gz KDYKCFNQFKFBKS-CQSZACIVSA-N 0 3 294.167 3.810 10 0 CHAEHN CCCN[C@H](c1c(F)cc(OC)cc1F)C1CCC1 ZINC000037903765 173835338 /nfs/dbraw/zinc/83/53/38/173835338.db2.gz FNSUDGRGMIMDIP-HNNXBMFYSA-N 0 3 269.335 3.814 10 0 CHAEHN CC[C@H](c1ccc(F)cc1)N1CCc2c(N)cccc2C1 ZINC000038032520 174029011 /nfs/dbraw/zinc/02/90/11/174029011.db2.gz BGURWNPMLSAPIN-GOSISDBHSA-N 0 3 284.378 3.917 10 0 CHAEHN CC[C@@H](C)CNCc1cc(F)ccc1Br ZINC000038039047 174039746 /nfs/dbraw/zinc/03/97/46/174039746.db2.gz FUUQPLYFEIXLDP-SECBINFHSA-N 0 3 274.177 3.724 10 0 CHAEHN CNCc1cc(-c2cc(C)cc(C)c2)ccc1OC ZINC000038069808 174081101 /nfs/dbraw/zinc/08/11/01/174081101.db2.gz ZLJNINFTVYQBMP-UHFFFAOYSA-N 0 3 255.361 3.698 10 0 CHAEHN COc1ccc(Cl)cc1-c1ccc(CN)c(F)c1 ZINC000038071017 174082285 /nfs/dbraw/zinc/08/22/85/174082285.db2.gz ISSAEINTWIURSN-UHFFFAOYSA-N 0 3 265.715 3.613 10 0 CHAEHN N[C@@]1(c2ccccc2Cl)CCCc2ccccc21 ZINC000038078312 174088671 /nfs/dbraw/zinc/08/86/71/174088671.db2.gz VBVNTBOBKABPMB-INIZCTEOSA-N 0 3 257.764 3.879 10 0 CHAEHN Cc1ccc(Cl)cc1NCCN1CCCCC1 ZINC000041322920 174519663 /nfs/dbraw/zinc/51/96/63/174519663.db2.gz KTVPHTFVLLZLGH-UHFFFAOYSA-N 0 3 252.789 3.546 10 0 CHAEHN Cc1ccc([C@@H](CN)N(C)Cc2ccc(Cl)cc2)s1 ZINC000042307597 174680599 /nfs/dbraw/zinc/68/05/99/174680599.db2.gz JGFAWROZSSJKBL-CQSZACIVSA-N 0 3 294.851 3.842 10 0 CHAEHN N[C@@H](c1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1 ZINC000043392094 175034443 /nfs/dbraw/zinc/03/44/43/175034443.db2.gz HQFNZJKNPVJFGL-ZDUSSCGKSA-N 0 3 271.669 3.805 10 0 CHAEHN CC(C)NCc1nc(-c2ccc(Cl)cc2)cs1 ZINC000045206548 175328360 /nfs/dbraw/zinc/32/83/60/175328360.db2.gz QVNQRNXTACGQCU-UHFFFAOYSA-N 0 3 266.797 3.962 10 0 CHAEHN COc1ccc(Br)c2c1CCN[C@H]2CC(C)C ZINC000071187274 176060529 /nfs/dbraw/zinc/06/05/29/176060529.db2.gz GDZVJWWMZAGSEG-LBPRGKRZSA-N 0 3 298.224 3.691 10 0 CHAEHN COc1ccc2c(c1)C(C)(C)CN[C@H]2c1ccccc1C ZINC000071631839 176236621 /nfs/dbraw/zinc/23/66/21/176236621.db2.gz NGQOYFGHZNRZDB-SFHVURJKSA-N 0 3 281.399 3.974 10 0 CHAEHN COc1ccc2c(c1)C(C)(C)CN[C@H]2c1cccc(C)c1 ZINC000071631841 176236720 /nfs/dbraw/zinc/23/67/20/176236720.db2.gz INOQRFMFRXSJDN-SFHVURJKSA-N 0 3 281.399 3.974 10 0 CHAEHN CCN[C@H](C)c1csc(-c2c(F)cccc2F)n1 ZINC000076784497 177091893 /nfs/dbraw/zinc/09/18/93/177091893.db2.gz RRYKNIUDOPOKJY-MRVPVSSYSA-N 0 3 268.332 3.759 10 0 CHAEHN CCCOc1ccc([C@@H](N)c2cc(C)oc2C)cc1 ZINC000077072350 177188381 /nfs/dbraw/zinc/18/83/81/177188381.db2.gz UZAGAGNTDYWUAJ-MRXNPFEDSA-N 0 3 259.349 3.733 10 0 CHAEHN CN(C)Cc1cccc(N[C@H]2CCc3ccccc32)c1 ZINC000036979902 260060431 /nfs/dbraw/zinc/06/04/31/260060431.db2.gz XQNHXWCXSRJJOZ-SFHVURJKSA-N 0 3 266.388 3.848 10 0 CHAEHN CC(C)(C)[C@@H](O)CNCc1csc(Cl)c1Cl ZINC000309336033 260154090 /nfs/dbraw/zinc/15/40/90/260154090.db2.gz JBVUSGJYBKAXKF-QMMMGPOBSA-N 0 3 282.236 3.552 10 0 CHAEHN c1cc2c(cccc2CN[C@@H]2CCOc3ccccc32)[nH]1 ZINC000070938639 260158512 /nfs/dbraw/zinc/15/85/12/260158512.db2.gz AEVZFUVTPFZWFF-QGZVFWFLSA-N 0 3 278.355 3.781 10 0 CHAEHN Cc1cccc(C2CC(NCc3ncccc3C)C2)c1 ZINC000071339665 260161751 /nfs/dbraw/zinc/16/17/51/260161751.db2.gz UOTOAIYKYJNTJV-UHFFFAOYSA-N 0 3 266.388 3.734 10 0 CHAEHN Cc1nccc(CN[C@H]2CCC[C@H](C(C)(C)C)CC2)n1 ZINC000086957341 260210875 /nfs/dbraw/zinc/21/08/75/260210875.db2.gz IKOGRBYWQCMSJJ-GJZGRUSLSA-N 0 3 275.440 3.870 10 0 CHAEHN CCN1CCC[C@H](N[C@@H](C)c2cc3ccccc3o2)C1 ZINC000040502403 260285118 /nfs/dbraw/zinc/28/51/18/260285118.db2.gz JKTBDGYELGTBEZ-ZFWWWQNUSA-N 0 3 272.392 3.568 10 0 CHAEHN CC(C)[C@@H](C)N[C@@H](C)c1ncc(Br)s1 ZINC000126403470 260351614 /nfs/dbraw/zinc/35/16/14/260351614.db2.gz MUAKUVJGSYASCS-SFYZADRCSA-N 0 3 277.231 3.601 10 0 CHAEHN CC(C)CNC(=O)[C@H](C)N[C@H](C)c1ccc2ccccc2c1 ZINC000132062673 260466904 /nfs/dbraw/zinc/46/69/04/260466904.db2.gz TVCXBKOFSLRZDA-CABCVRRESA-N 0 3 298.430 3.651 10 0 CHAEHN CC[C@@H](N)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000040856005 260598530 /nfs/dbraw/zinc/59/85/30/260598530.db2.gz ZIUYNYAMOKKQPF-CYBMUJFWSA-N 0 3 286.400 3.514 10 0 CHAEHN COc1ccc2c(c1)[C@@H](N[C@@H]1CCOc3ccccc31)CC2 ZINC000173230623 261158736 /nfs/dbraw/zinc/15/87/36/261158736.db2.gz SYYILZFQEVJQLO-ZWKOTPCHSA-N 0 3 295.382 3.796 10 0 CHAEHN COc1ccc2c(c1)[C@@H](N[C@H]1CCOc3ccccc31)CC2 ZINC000173230650 261158814 /nfs/dbraw/zinc/15/88/14/261158814.db2.gz SYYILZFQEVJQLO-ROUUACIJSA-N 0 3 295.382 3.796 10 0 CHAEHN CC[C@@H](C)[C@H](C)N(Cc1nc(-c2ccoc2)no1)C1CC1 ZINC000105717589 261315749 /nfs/dbraw/zinc/31/57/49/261315749.db2.gz SLTMPLVZQNRRGM-NEPJUHHUSA-N 0 3 289.379 3.729 10 0 CHAEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@@H](C)c1ccccc1 ZINC000106211422 261322897 /nfs/dbraw/zinc/32/28/97/261322897.db2.gz JWIJYRCDMCJHOU-YOEHRIQHSA-N 0 3 283.419 3.935 10 0 CHAEHN Cc1ccc([C@@H](C)N[C@@H](C)COCc2ccccc2)o1 ZINC000178066494 261375754 /nfs/dbraw/zinc/37/57/54/261375754.db2.gz VYGMXBGBAYRGGF-DZGCQCFKSA-N 0 3 273.376 3.844 10 0 CHAEHN CC1(C)C[C@H](NC[C@@H]2CCC=CO2)c2ccccc2O1 ZINC000188576497 264224633 /nfs/dbraw/zinc/22/46/33/264224633.db2.gz JNVMLJBPXNTYTN-ZFWWWQNUSA-N 0 3 273.376 3.571 10 0 CHAEHN Cc1ccc(C)c(CN2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114484003 266297394 /nfs/dbraw/zinc/29/73/94/266297394.db2.gz BJGPKKWSNDUEKV-KRWDZBQOSA-N 0 3 269.392 3.754 10 0 CHAEHN Fc1cccc(OCCN2CCC[C@@H]2c2ccco2)c1 ZINC000116292232 267137089 /nfs/dbraw/zinc/13/70/89/267137089.db2.gz CLYWRPCTWXUWGH-OAHLLOKOSA-N 0 3 275.323 3.635 10 0 CHAEHN c1ccc2c(c1)CCC[C@H]2N1CCNCc2ccccc21 ZINC000062818231 327895590 /nfs/dbraw/zinc/89/55/90/327895590.db2.gz MCUTXBIBIMFLLY-LJQANCHMSA-N 0 3 278.399 3.674 10 0 CHAEHN COc1cccc(CNCc2ccnc3ccccc23)c1 ZINC000111763362 328377203 /nfs/dbraw/zinc/37/72/03/328377203.db2.gz RVDLXQNGEMURJO-UHFFFAOYSA-N 0 3 278.355 3.533 10 0 CHAEHN O[C@@H]1CCCC[C@@H]1NC(c1ccccc1)c1ccccc1 ZINC000037490795 326853939 /nfs/dbraw/zinc/85/39/39/326853939.db2.gz JWSFMBBIHHZYKA-ZWKOTPCHSA-N 0 3 281.399 3.669 10 0 CHAEHN Cc1ccccc1[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000087955061 327076069 /nfs/dbraw/zinc/07/60/69/327076069.db2.gz XQIRCGSVYAJIEP-GJZGRUSLSA-N 0 3 282.387 3.673 10 0 CHAEHN Cc1c(CN[C@@H](C)c2ccc(CC(C)C)cc2)cnn1C ZINC000093649504 327132713 /nfs/dbraw/zinc/13/27/13/327132713.db2.gz DTRTYCZMMUJRMK-AWEZNQCLSA-N 0 3 285.435 3.778 10 0 CHAEHN C[C@@H](N[C@H](c1cccnc1)c1ccc(F)c(F)c1)C1CC1 ZINC000177291670 329185725 /nfs/dbraw/zinc/18/57/25/329185725.db2.gz ZTULCAOQAMEEFK-DIFFPNOSSA-N 0 3 288.341 3.837 10 0 CHAEHN CC(C)(C)OC(=O)CCCCN1CCC[C@H]1c1ccco1 ZINC000181889490 329238188 /nfs/dbraw/zinc/23/81/88/329238188.db2.gz PYFLXARXERUYBV-AWEZNQCLSA-N 0 3 293.407 3.929 10 0 CHAEHN Cc1nc(C(C)C)sc1[C@H](C)N[C@H](C)[C@H]1CCCO1 ZINC000247177420 329877186 /nfs/dbraw/zinc/87/71/86/329877186.db2.gz UZVYSSXNBMQETB-NTZNESFSSA-N 0 3 282.453 3.793 10 0 CHAEHN CC[C@H](N[C@H]1CCCC[C@H]1CO)c1cc(F)ccc1F ZINC000248145192 329887998 /nfs/dbraw/zinc/88/79/98/329887998.db2.gz QASWBMUDZIIAEJ-UVBJJODRSA-N 0 3 283.362 3.557 10 0 CHAEHN Cc1ccccc1[C@@H](NC[C@@H]1CCCO1)c1ccccc1 ZINC000105689673 330328007 /nfs/dbraw/zinc/32/80/07/330328007.db2.gz CYDNTOHBKOJUAA-HKUYNNGSSA-N 0 3 281.399 3.853 10 0 CHAEHN COc1ccccc1[C@@H](C)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000044673982 330331568 /nfs/dbraw/zinc/33/15/68/330331568.db2.gz WMEQSYNCKCDHKB-KBRIMQKVSA-N 0 3 267.372 3.902 10 0 CHAEHN Cc1cc(CN[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)on1 ZINC000044985271 330334597 /nfs/dbraw/zinc/33/45/97/330334597.db2.gz AXCJMAQWSHRMHP-NILFDRSVSA-N 0 3 250.386 3.533 10 0 CHAEHN CCCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc2ccccc2c1 ZINC000119304587 330372626 /nfs/dbraw/zinc/37/26/26/330372626.db2.gz URPRSMCDQSNVPW-LSDHHAIUSA-N 0 3 298.430 3.795 10 0 CHAEHN Cc1ncc([C@H](C)N[C@@H](C)[C@@H]2COc3ccccc32)s1 ZINC000090845701 330396506 /nfs/dbraw/zinc/39/65/06/330396506.db2.gz JBSPKXZKELUYKX-MJVIPROJSA-N 0 3 288.416 3.667 10 0 CHAEHN CC[C@H](NC[C@@H]1Cc2ccccc21)c1nccs1 ZINC000090976809 330397376 /nfs/dbraw/zinc/39/73/76/330397376.db2.gz CCOLJFQGVYCNLJ-JSGCOSHPSA-N 0 3 258.390 3.524 10 0 CHAEHN CC[C@H](N[C@@H](C)[C@@H]1CCCO1)c1cc(C)ccc1OC ZINC000093397133 330420192 /nfs/dbraw/zinc/42/01/92/330420192.db2.gz LJBWSNLKPRFBRH-BPUTZDHNSA-N 0 3 277.408 3.612 10 0 CHAEHN CC[C@H](O)CCN[C@@H](c1ccccc1)c1ccccc1C ZINC000166130594 331306698 /nfs/dbraw/zinc/30/66/98/331306698.db2.gz JPCCSPIFYSUVLV-HKUYNNGSSA-N 0 3 283.415 3.835 10 0 CHAEHN OC[C@H]1CCCC[C@H]1NCc1cc(Cl)ccc1Cl ZINC000229195370 333301425 /nfs/dbraw/zinc/30/14/25/333301425.db2.gz BFIOSESBYIEHNO-QMTHXVAHSA-N 0 3 288.218 3.634 10 0 CHAEHN CCC[C@@H]1C[C@H]1NCc1cccc(OC)c1OC(F)F ZINC000231674897 333327527 /nfs/dbraw/zinc/32/75/27/333327527.db2.gz IGGOZBJDJUFNNM-ZYHUDNBSSA-N 0 3 285.334 3.575 10 0 CHAEHN Cc1sccc1CN[C@H](C)COCc1ccccc1 ZINC000339287740 335142899 /nfs/dbraw/zinc/14/28/99/335142899.db2.gz YQKFFNYLIFKDCZ-CYBMUJFWSA-N 0 3 275.417 3.751 10 0 CHAEHN CCC[C@](C)(N)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037621790 333535263 /nfs/dbraw/zinc/53/52/63/333535263.db2.gz UAUKNJWXEFYYLE-UGSOOPFHSA-N 0 3 290.451 3.679 10 0 CHAEHN Cc1ccc(-c2nnc([C@H](C)N[C@H](C)C(C)C)o2)cc1 ZINC000078406606 334132823 /nfs/dbraw/zinc/13/28/23/334132823.db2.gz PZDZDBIUQFQSHV-OLZOCXBDSA-N 0 3 273.380 3.740 10 0 CHAEHN Cc1csc([C@H]2CCCN([C@H](C)c3ccccn3)C2)n1 ZINC000246410710 334256787 /nfs/dbraw/zinc/25/67/87/334256787.db2.gz RGRVQQHQEPJYHL-KGLIPLIRSA-N 0 3 287.432 3.787 10 0 CHAEHN C[C@@H](c1ccc(Cl)cc1)N1CCN2CCCC[C@H]2C1 ZINC000252513063 334381789 /nfs/dbraw/zinc/38/17/89/334381789.db2.gz JIGXWHHCNDXDSH-BBRMVZONSA-N 0 3 278.827 3.571 10 0 CHAEHN CC(C)C[C@H]1CSC(N[C@H](C)Cc2ccsc2)=N1 ZINC000049185361 519419272 /nfs/dbraw/zinc/41/92/72/519419272.db2.gz YKWPSMZZKPBQAI-YPMHNXCESA-N 0 3 282.478 3.786 10 0 CHAEHN CC(C)=CCN1CCC(c2nc(C)cs2)CC1 ZINC000156698603 519428583 /nfs/dbraw/zinc/42/85/83/519428583.db2.gz QDTJACNOUKSIDR-UHFFFAOYSA-N 0 3 250.411 3.597 10 0 CHAEHN CC(C)CNCc1ccoc1CO[C@H](C)CC(C)C ZINC000052603298 519748151 /nfs/dbraw/zinc/74/81/51/519748151.db2.gz PWQCOZOLGFSHPB-CQSZACIVSA-N 0 3 267.413 3.976 10 0 CHAEHN CCN[C@@H](Cc1ccc(F)cc1Cl)c1ccco1 ZINC000054456228 520103849 /nfs/dbraw/zinc/10/38/49/520103849.db2.gz LDOYSABIRIALJQ-ZDUSSCGKSA-N 0 3 267.731 3.965 10 0 CHAEHN CCCCN(CCCC)c1nc2c(s1)[C@H](N)CCC2 ZINC000054894871 520498375 /nfs/dbraw/zinc/49/83/75/520498375.db2.gz MGKCFCNJMZVREF-GFCCVEGCSA-N 0 3 281.469 3.886 10 0 CHAEHN C[C@@H]1C[C@@H]1NCc1cc(Br)c(Cl)s1 ZINC000191694552 533741400 /nfs/dbraw/zinc/74/14/00/533741400.db2.gz VIDUDMRWXHNQOD-XRGYYRRGSA-N 0 3 280.618 3.662 10 0 CHAEHN CC(C)(C)NCc1cnc(-c2ccccc2Cl)nc1 ZINC000054856409 518767702 /nfs/dbraw/zinc/76/77/02/518767702.db2.gz KJRYUTOMRBGEJQ-UHFFFAOYSA-N 0 3 275.783 3.685 10 0 CHAEHN CC1CCC(OCc2occc2CNC2CC2)CC1 ZINC000052619126 520962048 /nfs/dbraw/zinc/96/20/48/520962048.db2.gz RMAUTRJPXVEDHX-UHFFFAOYSA-N 0 3 263.381 3.627 10 0 CHAEHN CCCc1cc(N)c2cc(OC(F)(F)F)ccc2n1 ZINC000050869772 521365582 /nfs/dbraw/zinc/36/55/82/521365582.db2.gz BCXZRFPWJMLKSA-UHFFFAOYSA-N 0 3 270.254 3.668 10 0 CHAEHN CCC(CC)CN(CC)c1ncc([C@@H](C)NC)s1 ZINC000054907622 521523484 /nfs/dbraw/zinc/52/34/84/521523484.db2.gz HYHHRLTUUVMOTG-LLVKDONJSA-N 0 3 269.458 3.686 10 0 CHAEHN CCN(c1nc(C)c([C@H](C)N)s1)c1ccc(F)cc1 ZINC000054896925 521505460 /nfs/dbraw/zinc/50/54/60/521505460.db2.gz NZBVOLFFHQCEMF-VIFPVBQESA-N 0 3 279.384 3.768 10 0 CHAEHN CCC(CC)[C@H](NC)c1cc(OC)c(OC)cc1F ZINC000061561039 521619712 /nfs/dbraw/zinc/61/97/12/521619712.db2.gz POONPBDFBIDKSE-HNNXBMFYSA-N 0 3 269.360 3.540 10 0 CHAEHN CC[C@@H](C)CNCC(=O)Nc1c(Cl)cccc1Cl ZINC000054471398 521995345 /nfs/dbraw/zinc/99/53/45/521995345.db2.gz ZJIQFFTYEDGIJU-SECBINFHSA-N 0 3 289.206 3.568 10 0 CHAEHN CNCc1ccc(Oc2cccc(F)c2F)c(F)c1 ZINC000062616344 522124779 /nfs/dbraw/zinc/12/47/79/522124779.db2.gz ATAOXSOCISJDCZ-UHFFFAOYSA-N 0 3 267.250 3.616 10 0 CHAEHN CN[C@H](C)c1c(F)cccc1OCc1cccs1 ZINC000049585755 522444053 /nfs/dbraw/zinc/44/40/53/522444053.db2.gz HQLXJGKYIBCXIP-SNVBAGLBSA-N 0 3 265.353 3.747 10 0 CHAEHN CC[C@@H](N)c1ccc(-c2ccccc2COC)s1 ZINC000049511060 522655965 /nfs/dbraw/zinc/65/59/65/522655965.db2.gz HMRLWVZPOXGTMB-CYBMUJFWSA-N 0 3 261.390 3.971 10 0 CHAEHN CC[C@H]1CCCCN1Cc1ccc(Cl)cc1N ZINC000050442891 523027803 /nfs/dbraw/zinc/02/78/03/523027803.db2.gz ZHQQEVDEBVSKDM-ZDUSSCGKSA-N 0 3 252.789 3.687 10 0 CHAEHN CC[C@@H]1CCCCN1c1cc(Cl)ccc1CN ZINC000062786771 523178150 /nfs/dbraw/zinc/17/81/50/523178150.db2.gz YBPHWYLJVGZJNJ-CYBMUJFWSA-N 0 3 252.789 3.568 10 0 CHAEHN Cc1ccc(COc2cc(F)ccc2[C@H](C)N)cc1 ZINC000062745873 524628249 /nfs/dbraw/zinc/62/82/49/524628249.db2.gz XWMVIYVKLYLFDQ-LBPRGKRZSA-N 0 3 259.324 3.733 10 0 CHAEHN Cc1ccc(F)c([C@@H](N)c2ccc(F)cc2Cl)c1 ZINC000061846308 524834873 /nfs/dbraw/zinc/83/48/73/524834873.db2.gz ONIUXNIDIMYAIG-AWEZNQCLSA-N 0 3 267.706 3.975 10 0 CHAEHN Cc1cc(Cl)cc(C)c1Oc1ccnc(CN)c1 ZINC000051545641 524860602 /nfs/dbraw/zinc/86/06/02/524860602.db2.gz YQWNHRWWCVOGIC-UHFFFAOYSA-N 0 3 262.740 3.603 10 0 CHAEHN Cc1ccc(F)cc1[C@H](N)c1ccc(Cl)cc1F ZINC000062785960 524873755 /nfs/dbraw/zinc/87/37/55/524873755.db2.gz DFTPCKSJXZRKCY-CQSZACIVSA-N 0 3 267.706 3.975 10 0 CHAEHN COc1ccc([C@@H](C)N[C@H](CN(C)C)c2ccccc2)cc1 ZINC000120422612 525164550 /nfs/dbraw/zinc/16/45/50/525164550.db2.gz OCSLBUJUMZWSSH-DNVCBOLYSA-N 0 3 298.430 3.649 10 0 CHAEHN Cc1ccc([O-])c(C[NH2+][C@@H](c2ccccc2)C(C)C)n1 ZINC000103341213 525351973 /nfs/dbraw/zinc/35/19/73/525351973.db2.gz LHRKZPJCOYOWOV-QGZVFWFLSA-N 0 3 270.376 3.583 10 0 CHAEHN COc1ccc([C@H](N)c2cc(C)sc2C)cc1F ZINC000061668839 525363637 /nfs/dbraw/zinc/36/36/37/525363637.db2.gz YNSXSVKSHIJVCN-AWEZNQCLSA-N 0 3 265.353 3.561 10 0 CHAEHN Cc1ccccc1[C@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000068255717 525414213 /nfs/dbraw/zinc/41/42/13/525414213.db2.gz DLSKJXPGPNQGSX-HNNXBMFYSA-N 0 3 296.414 3.548 10 0 CHAEHN Cc1ccccc1[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000155499883 525415530 /nfs/dbraw/zinc/41/55/30/525415530.db2.gz SKQFKUXNDMXYSI-HNNXBMFYSA-N 0 3 296.414 3.548 10 0 CHAEHN C[C@@H](N[C@@H]1CCCCC[C@@H]1O)c1ccccc1Cl ZINC000049508659 525634237 /nfs/dbraw/zinc/63/42/37/525634237.db2.gz QKHACGMJYRFGAE-DFBGVHRSSA-N 0 3 267.800 3.684 10 0 CHAEHN C[C@H](c1nc(-c2cccs2)no1)[C@H](N)c1ccccc1 ZINC000157947884 526171620 /nfs/dbraw/zinc/17/16/20/526171620.db2.gz DQJCONKCPQHIAK-GWCFXTLKSA-N 0 3 285.372 3.602 10 0 CHAEHN Fc1ccc(-c2ccccc2F)cc1CNC1CC1 ZINC000052887801 526314223 /nfs/dbraw/zinc/31/42/23/526314223.db2.gz DPXXVLKSNMARPH-UHFFFAOYSA-N 0 3 259.299 3.884 10 0 CHAEHN Cc1nc(CN[C@H](CC(C)C)c2ccccc2)c[nH]1 ZINC000054821913 526894925 /nfs/dbraw/zinc/89/49/25/526894925.db2.gz NGCNGLFWMAYFHS-MRXNPFEDSA-N 0 3 257.381 3.595 10 0 CHAEHN Cc1ncc(CN[C@H](CC(C)C)c2ccccc2)[nH]1 ZINC000054821913 526894931 /nfs/dbraw/zinc/89/49/31/526894931.db2.gz NGCNGLFWMAYFHS-MRXNPFEDSA-N 0 3 257.381 3.595 10 0 CHAEHN NCc1ccc(Cl)cc1N1CCC[C@H]2CCCC[C@@H]21 ZINC000062786860 527253150 /nfs/dbraw/zinc/25/31/50/527253150.db2.gz YURYBQYFXSQFEA-DOMZBBRYSA-N 0 3 278.827 3.958 10 0 CHAEHN N[C@H]1CCCc2nc(C3(c4ccccc4)CC3)sc21 ZINC000062781998 527409855 /nfs/dbraw/zinc/40/98/55/527409855.db2.gz PHSJZKWKIHRKOG-LBPRGKRZSA-N 0 3 270.401 3.559 10 0 CHAEHN CC(C)n1cc(C(F)F)c(-c2ccc(CN)s2)n1 ZINC000725271073 567924560 /nfs/dbraw/zinc/92/45/60/567924560.db2.gz WJTOHNVCZYMQBQ-UHFFFAOYSA-N 0 3 271.336 3.589 10 0 CHAEHN CC(C)c1ccccc1CN(CCO)Cc1ccccc1 ZINC000675074980 567024698 /nfs/dbraw/zinc/02/46/98/567024698.db2.gz DXNNWHOQDCJZQY-UHFFFAOYSA-N 0 3 283.415 3.805 10 0 CHAEHN CC(C)CCNCc1nn(C(C)C)nc1-c1ccccc1 ZINC000057353279 567895000 /nfs/dbraw/zinc/89/50/00/567895000.db2.gz RASSHGZHICCTEU-UHFFFAOYSA-N 0 3 286.423 3.662 10 0 CHAEHN C=C(OCC)c1ccc(Cl)c(CNC2CC2)c1 ZINC000725268158 567924222 /nfs/dbraw/zinc/92/42/22/567924222.db2.gz GOJXAZIVUYVSAO-UHFFFAOYSA-N 0 3 251.757 3.599 10 0 CHAEHN N[C@H](CC1CC1)c1cc2ccc(Br)cc2o1 ZINC000675080345 570368751 /nfs/dbraw/zinc/36/87/51/570368751.db2.gz CGNBCERSLIZMCV-LLVKDONJSA-N 0 3 280.165 3.995 10 0 CHAEHN c1csc(C2=CCN(C[C@H]3CCC=CO3)CC2)c1 ZINC000193983708 1125551565 /nfs/dbraw/zinc/55/15/65/1125551565.db2.gz TYWMYTNPWFWSGH-CQSZACIVSA-N 0 3 261.390 3.530 10 0 CHAEHN CCN(CC(C)C)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000101726374 1119713165 /nfs/dbraw/zinc/71/31/65/1119713165.db2.gz JTHOAFLAKBGPFC-CYBMUJFWSA-N 0 3 273.380 3.776 10 0 CHAEHN Cc1nc(-c2ccc(Cl)c(Cl)c2)sc1CN ZINC000082421359 177993631 /nfs/dbraw/zinc/99/36/31/177993631.db2.gz OVAMWPICWBQIRG-UHFFFAOYSA-N 0 3 273.188 3.884 10 0 CHAEHN CNCc1sc(CCc2ccccc2)nc1C(C)C ZINC000082435001 178012437 /nfs/dbraw/zinc/01/24/37/178012437.db2.gz IUIFEQCGWNRKCY-UHFFFAOYSA-N 0 3 274.433 3.771 10 0 CHAEHN CCCNCc1sc(CSC)nc1C(C)(C)C ZINC000082439593 178017869 /nfs/dbraw/zinc/01/78/69/178017869.db2.gz DUMITERWEQGOSP-UHFFFAOYSA-N 0 3 272.483 3.803 10 0 CHAEHN COc1ccccc1-c1nc(C(C)(C)C)c(CN)s1 ZINC000082441457 178021352 /nfs/dbraw/zinc/02/13/52/178021352.db2.gz AJINJBHYOOBAOU-UHFFFAOYSA-N 0 3 276.405 3.575 10 0 CHAEHN CN[C@H]1CC(C)(C)Oc2c(Cl)cc(Cl)cc21 ZINC000082505658 178069817 /nfs/dbraw/zinc/06/98/17/178069817.db2.gz SBKCQYNQCMNMLD-JTQLQIEISA-N 0 3 260.164 3.815 10 0 CHAEHN N=C1CCCN1c1ccc(C(F)(F)F)cc1Cl ZINC000104232347 185937979 /nfs/dbraw/zinc/93/79/79/185937979.db2.gz PVMZWLHBOHESBU-UHFFFAOYSA-N 0 3 262.662 3.936 10 0 CHAEHN O=C(CNC1CCCCCCC1)Nc1c(F)cccc1F ZINC000008131076 170319914 /nfs/dbraw/zinc/31/99/14/170319914.db2.gz TXMCRGJNGAMSDD-UHFFFAOYSA-N 0 3 296.361 3.606 10 0 CHAEHN COc1cc(CN[C@@H](C)c2ccc(Cl)cc2)ccc1O ZINC000020121857 171001054 /nfs/dbraw/zinc/00/10/54/171001054.db2.gz ZJKBWXPGSGLREZ-NSHDSACASA-N 0 3 291.778 3.905 10 0 CHAEHN COc1cc(CN[C@H](C)c2ccccc2C)ccc1O ZINC000020126085 171009476 /nfs/dbraw/zinc/00/94/76/171009476.db2.gz RKSQIMJYBZLYFP-CYBMUJFWSA-N 0 3 271.360 3.560 10 0 CHAEHN C[C@H](N[C@@H]1CCc2ccccc21)c1ccc(O)cc1 ZINC000020129729 171017983 /nfs/dbraw/zinc/01/79/83/171017983.db2.gz DWPXNPBSEQWLFF-YVEFUNNKSA-N 0 3 253.345 3.730 10 0 CHAEHN c1ccc2sc(CNC[C@@H]3CC=CCC3)nc2c1 ZINC000020136379 171023576 /nfs/dbraw/zinc/02/35/76/171023576.db2.gz XCUHBQGHNIYUGP-GFCCVEGCSA-N 0 3 258.390 3.742 10 0 CHAEHN Cc1cc(C)c([C@H](C)NCc2ccncc2)c(C)c1 ZINC000020140063 171026935 /nfs/dbraw/zinc/02/69/35/171026935.db2.gz LTIPMVFBFQWIBB-HNNXBMFYSA-N 0 3 254.377 3.858 10 0 CHAEHN c1ccc2c(c1)CCCC[C@H]2NCc1ccncc1 ZINC000020139780 171026966 /nfs/dbraw/zinc/02/69/66/171026966.db2.gz NZHHXHKANWDIQI-QGZVFWFLSA-N 0 3 252.361 3.639 10 0 CHAEHN Cc1cc(C)c([C@H](C)NCc2ccncc2)cc1C ZINC000020140429 171027147 /nfs/dbraw/zinc/02/71/47/171027147.db2.gz SVGOQGPTDDOILX-HNNXBMFYSA-N 0 3 254.377 3.858 10 0 CHAEHN C[C@@H](N[C@H]1CCOc2ccccc21)c1cccs1 ZINC000020148526 171036782 /nfs/dbraw/zinc/03/67/82/171036782.db2.gz XRNQOIVNCRRYBN-YPMHNXCESA-N 0 3 259.374 3.923 10 0 CHAEHN Cc1ccccc1CN(C)[C@@H](CN)c1cccc(Cl)c1 ZINC000020225948 171089384 /nfs/dbraw/zinc/08/93/84/171089384.db2.gz NLRXISPTBKCXTQ-KRWDZBQOSA-N 0 3 288.822 3.780 10 0 CHAEHN CC[C@@H](Oc1cccc(F)c1)[C@H](N)c1ccccc1 ZINC000020262680 171120784 /nfs/dbraw/zinc/12/07/84/171120784.db2.gz GTAPERSFEWYTTF-HZPDHXFCSA-N 0 3 259.324 3.683 10 0 CHAEHN CC[C@H](Oc1ccc(F)cc1)[C@H](N)c1ccccc1 ZINC000020262610 171120871 /nfs/dbraw/zinc/12/08/71/171120871.db2.gz AZLYHJHNHQPQAE-JKSUJKDBSA-N 0 3 259.324 3.683 10 0 CHAEHN N[C@H](c1ccc2c(c1)CCC2)c1ccccc1Cl ZINC000020384734 171175408 /nfs/dbraw/zinc/17/54/08/171175408.db2.gz ZTMFMXIKTHXQQX-MRXNPFEDSA-N 0 3 257.764 3.877 10 0 CHAEHN Cc1ccc([C@H](N)Cc2nc3ccccc3s2)s1 ZINC000020428142 171193657 /nfs/dbraw/zinc/19/36/57/171193657.db2.gz NLADCRIMNICZNV-SNVBAGLBSA-N 0 3 274.414 3.909 10 0 CHAEHN NCc1c(Cl)cccc1Oc1ccc(F)cc1F ZINC000020470156 171211717 /nfs/dbraw/zinc/21/17/17/171211717.db2.gz LLMFNWDJMXSOKO-UHFFFAOYSA-N 0 3 269.678 3.869 10 0 CHAEHN Cc1ccc([C@@H](N)COc2ccccc2C)c(C)c1 ZINC000020552805 171248190 /nfs/dbraw/zinc/24/81/90/171248190.db2.gz QJPNOTAYCNQMJA-INIZCTEOSA-N 0 3 255.361 3.691 10 0 CHAEHN CC(C)c1ccc(O[C@H]2COc3ccccc3[C@@H]2N)cc1 ZINC000020566881 171254656 /nfs/dbraw/zinc/25/46/56/171254656.db2.gz KCIWEMHBWKHWOO-ROUUACIJSA-N 0 3 283.371 3.650 10 0 CHAEHN COc1ccc(Br)cc1[C@H](N)CC(C)(C)C ZINC000020586731 171259537 /nfs/dbraw/zinc/25/95/37/171259537.db2.gz LFNJAWYKUMOEBT-LLVKDONJSA-N 0 3 286.213 3.894 10 0 CHAEHN COc1ccc(Br)cc1[C@@H](N)CC(C)C ZINC000020586772 171259627 /nfs/dbraw/zinc/25/96/27/171259627.db2.gz QEOIVFOSWCJZHW-NSHDSACASA-N 0 3 272.186 3.504 10 0 CHAEHN Cc1ccc(F)cc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000020595895 171264495 /nfs/dbraw/zinc/26/44/95/171264495.db2.gz OPLZCLRTNLIBKN-QGZVFWFLSA-N 0 3 284.378 3.821 10 0 CHAEHN Cc1ccc([C@@H](N)COc2cc(C)cc(C)c2)c(C)c1 ZINC000021047157 171294327 /nfs/dbraw/zinc/29/43/27/171294327.db2.gz TXAOZCJXLGXGBO-SFHVURJKSA-N 0 3 269.388 3.999 10 0 CHAEHN Cc1ccc(OC[C@H](N)c2cc(C)ccc2C)cc1 ZINC000021516797 171313446 /nfs/dbraw/zinc/31/34/46/171313446.db2.gz UVJOONXZCRBCIN-KRWDZBQOSA-N 0 3 255.361 3.691 10 0 CHAEHN Oc1ccc([C@@H](NC2CC2)c2ccc(Cl)cc2)cc1 ZINC000022173206 171368558 /nfs/dbraw/zinc/36/85/58/171368558.db2.gz IWPKYOKSFAMEFH-INIZCTEOSA-N 0 3 273.763 3.887 10 0 CHAEHN CC[C@H](C)c1ccccc1Oc1cc(CN)ccn1 ZINC000022223057 171379282 /nfs/dbraw/zinc/37/92/82/171379282.db2.gz YCIQCZWULLXNKE-LBPRGKRZSA-N 0 3 256.349 3.846 10 0 CHAEHN CC(C)[C@H](Oc1ccccc1)[C@@H](N)c1ccccc1 ZINC000022565846 171391712 /nfs/dbraw/zinc/39/17/12/171391712.db2.gz XHRJPHQQJCFCDK-IRXDYDNUSA-N 0 3 255.361 3.790 10 0 CHAEHN Cc1ccc([C@@H](N)[C@H](C)Oc2ccc(F)cc2F)cc1 ZINC000023072038 171411534 /nfs/dbraw/zinc/41/15/34/171411534.db2.gz BBRNIWGTNHEAAX-ZBEGNZNMSA-N 0 3 277.314 3.741 10 0 CHAEHN CCCN(CCC)c1cccc(F)c1[C@H](C)NC ZINC000034838347 171883165 /nfs/dbraw/zinc/88/31/65/171883165.db2.gz LJKRLHCVGRKRJG-LBPRGKRZSA-N 0 3 252.377 3.733 10 0 CHAEHN CN1CCC(Nc2c(Cl)cccc2C(F)(F)F)CC1 ZINC000034956976 171902824 /nfs/dbraw/zinc/90/28/24/171902824.db2.gz HATBYZMXYRGYAZ-UHFFFAOYSA-N 0 3 292.732 3.865 10 0 CHAEHN COc1cc(CN[C@@H](c2ccccc2)C(C)C)ccc1O ZINC000035015896 171932575 /nfs/dbraw/zinc/93/25/75/171932575.db2.gz TVHZVNANWGSSSY-GOSISDBHSA-N 0 3 285.387 3.888 10 0 CHAEHN Cc1cc([C@H](N)c2ccc3c(c2)CCCC3)c(C)o1 ZINC000035380809 172163656 /nfs/dbraw/zinc/16/36/56/172163656.db2.gz OEHMOFCOWBXMHZ-QGZVFWFLSA-N 0 3 255.361 3.823 10 0 CHAEHN COc1ccc([C@@H](N)c2cccs2)c2ccccc12 ZINC000035381830 172164570 /nfs/dbraw/zinc/16/45/70/172164570.db2.gz PGNJTMBFXDUWEK-MRXNPFEDSA-N 0 3 269.369 3.958 10 0 CHAEHN CN[C@H](c1ccc(C)s1)c1ccccc1OC(F)F ZINC000035458766 172207773 /nfs/dbraw/zinc/20/77/73/172207773.db2.gz CHLSPKHALMUCEL-ZDUSSCGKSA-N 0 3 283.343 3.967 10 0 CHAEHN CN[C@@H](c1ccc(C)s1)c1ccc(C)c(OC)c1 ZINC000035458982 172208564 /nfs/dbraw/zinc/20/85/64/172208564.db2.gz OCLYYKGCIQCZPM-OAHLLOKOSA-N 0 3 261.390 3.682 10 0 CHAEHN CN[C@H](c1ccc(C)s1)c1ccc2c(c1)CCC2 ZINC000035458971 172208583 /nfs/dbraw/zinc/20/85/83/172208583.db2.gz UIZRNJPYKQYHAA-INIZCTEOSA-N 0 3 257.402 3.854 10 0 CHAEHN CN[C@@H](c1ccc(OC)cc1)c1ccc(C)cc1C ZINC000035465919 172213135 /nfs/dbraw/zinc/21/31/35/172213135.db2.gz XFQSEIAWVXIFJV-KRWDZBQOSA-N 0 3 255.361 3.621 10 0 CHAEHN CCC[C@H](NC)c1cc2c(cc1Cl)OCCCO2 ZINC000035501132 172234626 /nfs/dbraw/zinc/23/46/26/172234626.db2.gz RRUOOCAESXYBIQ-LBPRGKRZSA-N 0 3 269.772 3.562 10 0 CHAEHN CN[C@@H](c1sccc1C)c1ccc2c(c1)C[C@H](C)O2 ZINC000035504380 172238115 /nfs/dbraw/zinc/23/81/15/172238115.db2.gz DIUBXBPLLQZGAH-XHDPSFHLSA-N 0 3 273.401 3.689 10 0 CHAEHN CCN[C@@H](CC(F)(F)F)c1ccc(CC)s1 ZINC000035537951 172244475 /nfs/dbraw/zinc/24/44/75/172244475.db2.gz VLVLOWOJAMNFQK-VIFPVBQESA-N 0 3 251.317 3.914 10 0 CHAEHN CCCc1ccc([C@@H](NCC)c2cccnc2)cc1 ZINC000035550384 172258172 /nfs/dbraw/zinc/25/81/72/172258172.db2.gz QWXVUOYHTHODPL-QGZVFWFLSA-N 0 3 254.377 3.733 10 0 CHAEHN CCN[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000035558260 172263184 /nfs/dbraw/zinc/26/31/84/172263184.db2.gz GMAJZBXSRFCWMY-QWHCGFSZSA-N 0 3 274.191 3.823 10 0 CHAEHN CCN[C@@H](c1cc2c(cc1Cl)OCCO2)[C@@H](C)CC ZINC000035557790 172263278 /nfs/dbraw/zinc/26/32/78/172263278.db2.gz HZZUXRRZUMPHRY-ZUZCIYMTSA-N 0 3 283.799 3.808 10 0 CHAEHN CCN[C@H](c1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000035559029 172264040 /nfs/dbraw/zinc/26/40/40/172264040.db2.gz BSSXPLXSOLUTCV-CHWSQXEVSA-N 0 3 274.191 3.823 10 0 CHAEHN CCN[C@H](c1ccoc1C)c1ccc(OC)c(C)c1 ZINC000035571359 172267160 /nfs/dbraw/zinc/26/71/60/172267160.db2.gz WPDMTAXJLJFKAY-INIZCTEOSA-N 0 3 259.349 3.604 10 0 CHAEHN CCCN[C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000035575234 172272049 /nfs/dbraw/zinc/27/20/49/172272049.db2.gz BYTPQDMAERZLMI-OAHLLOKOSA-N 0 3 260.768 3.824 10 0 CHAEHN CCCN[C@@H](c1c(F)cc(F)cc1F)[C@H]1C[C@@H]1C ZINC000035580950 172276685 /nfs/dbraw/zinc/27/66/85/172276685.db2.gz UYYHSCWGAXIFFY-QEVYDEPDSA-N 0 3 257.299 3.801 10 0 CHAEHN CCCN[C@H](c1ccc(Cl)s1)c1cccnc1 ZINC000035583568 172282003 /nfs/dbraw/zinc/28/20/03/172282003.db2.gz AHJTWYGYQFFRJF-ZDUSSCGKSA-N 0 3 266.797 3.886 10 0 CHAEHN Clc1ccc2c(c1Cl)OCC[C@@H]2NC1CC1 ZINC000035652943 172329911 /nfs/dbraw/zinc/32/99/11/172329911.db2.gz LOWOQIRJXQVPQB-JTQLQIEISA-N 0 3 258.148 3.569 10 0 CHAEHN CC(C)CCOc1c(Cl)cc(Cl)cc1CN ZINC000035661826 172339308 /nfs/dbraw/zinc/33/93/08/172339308.db2.gz CFIFBDFCOVWXTI-UHFFFAOYSA-N 0 3 262.180 3.877 10 0 CHAEHN CCN(c1ccccc1C)c1ccc(F)cc1CN ZINC000037236169 173053804 /nfs/dbraw/zinc/05/38/04/173053804.db2.gz XDSVUNAJSHZGKA-UHFFFAOYSA-N 0 3 258.340 3.751 10 0 CHAEHN CCN(c1ccc(F)cc1CNC(C)C)C(C)C ZINC000037236585 173054463 /nfs/dbraw/zinc/05/44/63/173054463.db2.gz VWJPJOCULSVQEY-UHFFFAOYSA-N 0 3 252.377 3.558 10 0 CHAEHN N[C@@H](c1ccc(Cl)cc1)c1cccc(OC(F)F)c1 ZINC000037308782 173112116 /nfs/dbraw/zinc/11/21/16/173112116.db2.gz KYQFZIUJXKGZHE-ZDUSSCGKSA-N 0 3 283.705 3.990 10 0 CHAEHN CCCN(C(C)C)[C@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000037335209 173136762 /nfs/dbraw/zinc/13/67/62/173136762.db2.gz PNAMVSFUJASBPG-OAHLLOKOSA-N 0 3 261.409 3.995 10 0 CHAEHN CCN(CC(C)C)[C@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000037336398 173137800 /nfs/dbraw/zinc/13/78/00/173137800.db2.gz UKCOHARWPKPMGA-OAHLLOKOSA-N 0 3 261.409 3.853 10 0 CHAEHN CCc1ccc(C(=O)[C@@H](C)N(CC)[C@@H](C)CC)cc1 ZINC000037336731 173137939 /nfs/dbraw/zinc/13/79/39/173137939.db2.gz ZLTUJGAEXUESIG-UONOGXRCSA-N 0 3 261.409 3.941 10 0 CHAEHN CCN[C@@H](c1ccccc1)c1ccc(OC)cc1F ZINC000037409283 173185697 /nfs/dbraw/zinc/18/56/97/173185697.db2.gz GVRWNDHJYMDPPQ-INIZCTEOSA-N 0 3 259.324 3.533 10 0 CHAEHN CC[C@@H](C)c1ccc(N[C@@H]2CN3CCC2CC3)cc1 ZINC000037413366 173190356 /nfs/dbraw/zinc/19/03/56/173190356.db2.gz WOLVWZMMSQAXPR-CXAGYDPISA-N 0 3 258.409 3.706 10 0 CHAEHN CC(C)n1c(CNCC2CC2)nc2cccc(Cl)c21 ZINC000037444281 173212184 /nfs/dbraw/zinc/21/21/84/173212184.db2.gz SKCMRKIAVDSGEQ-UHFFFAOYSA-N 0 3 277.799 3.770 10 0 CHAEHN C[C@@](N)(c1ccc(F)cc1)c1ccccc1Br ZINC000037529762 173252774 /nfs/dbraw/zinc/25/27/74/173252774.db2.gz DRDHDDGUDSWBSA-CQSZACIVSA-N 0 3 294.167 3.810 10 0 CHAEHN Cc1ccccc1[C@](C)(N)c1ccccc1Br ZINC000037529772 173253026 /nfs/dbraw/zinc/25/30/26/173253026.db2.gz DIEJDFGGMFXZQY-HNNXBMFYSA-N 0 3 290.204 3.980 10 0 CHAEHN CC(C)c1ccc([C@H](O)CNCc2ccccc2F)cc1 ZINC000037880462 173820565 /nfs/dbraw/zinc/82/05/65/173820565.db2.gz SNWNKSRWNPVGQO-GOSISDBHSA-N 0 3 287.378 3.772 10 0 CHAEHN Cc1ccc([C@@H](N)COCc2ccccc2)cc1C ZINC000037981545 173941807 /nfs/dbraw/zinc/94/18/07/173941807.db2.gz QTTZZQGFZLMZBV-KRWDZBQOSA-N 0 3 255.361 3.520 10 0 CHAEHN CCN[C@H](c1cccs1)c1ccc2c(c1)CCCO2 ZINC000038058074 174068954 /nfs/dbraw/zinc/06/89/54/174068954.db2.gz CZHXXHRGAWNYPZ-INIZCTEOSA-N 0 3 273.401 3.772 10 0 CHAEHN CNCc1cc(-c2ccc(Cl)cc2)ccc1OC ZINC000038069996 174080931 /nfs/dbraw/zinc/08/09/31/174080931.db2.gz NTGKPLUBFZRLRM-UHFFFAOYSA-N 0 3 261.752 3.735 10 0 CHAEHN CCNCc1cc(-c2ccc(OC)cc2)ccc1F ZINC000038070966 174081824 /nfs/dbraw/zinc/08/18/24/174081824.db2.gz GKZXKLUZLWYBQM-UHFFFAOYSA-N 0 3 259.324 3.611 10 0 CHAEHN CNCc1ccc(-c2ccc(OC)cc2C)cc1F ZINC000038072749 174083348 /nfs/dbraw/zinc/08/33/48/174083348.db2.gz GFVZEHYSNLYSHN-UHFFFAOYSA-N 0 3 259.324 3.529 10 0 CHAEHN CNCc1cc(-c2ccc(OC)cc2C)ccc1F ZINC000038072740 174083493 /nfs/dbraw/zinc/08/34/93/174083493.db2.gz IGNDONONBXRLFO-UHFFFAOYSA-N 0 3 259.324 3.529 10 0 CHAEHN CCN[C@@H](Cc1cc(C)cc(C)c1)c1ccccn1 ZINC000038077394 174087642 /nfs/dbraw/zinc/08/76/42/174087642.db2.gz SQXDGIGKCGGESN-KRWDZBQOSA-N 0 3 254.377 3.592 10 0 CHAEHN CC1CCN([C@@H](CN)c2c(Cl)cccc2Cl)CC1 ZINC000039034755 174162011 /nfs/dbraw/zinc/16/20/11/174162011.db2.gz JHHWSXVMSJJLBI-ZDUSSCGKSA-N 0 3 287.234 3.725 10 0 CHAEHN CC(C)Oc1ccc2ccccc2c1CNC[C@H]1CCCO1 ZINC000040729617 174388418 /nfs/dbraw/zinc/38/84/18/174388418.db2.gz GEFLVIYVGDIVJO-MRXNPFEDSA-N 0 3 299.414 3.896 10 0 CHAEHN CCN[C@H](c1cccs1)c1cc(F)c(F)c(F)c1 ZINC000043392457 175034433 /nfs/dbraw/zinc/03/44/33/175034433.db2.gz JYTVKSQBQRCXCH-ZDUSSCGKSA-N 0 3 271.307 3.864 10 0 CHAEHN CC(C)(C)N(CCC(=O)c1ccccn1)Cc1ccccc1 ZINC000045355314 175362046 /nfs/dbraw/zinc/36/20/46/175362046.db2.gz JBCFSSJYNCPJND-UHFFFAOYSA-N 0 3 296.414 3.955 10 0 CHAEHN C[C@@H](N)c1csc(-c2cccc(Br)c2)n1 ZINC000070840231 176008423 /nfs/dbraw/zinc/00/84/23/176008423.db2.gz GKSVCITVIVCOIQ-SSDOTTSWSA-N 0 3 283.194 3.592 10 0 CHAEHN C[C@@H](N)c1csc(Cc2ccc(Br)cc2)n1 ZINC000070839962 176008501 /nfs/dbraw/zinc/00/85/01/176008501.db2.gz ISTPZTRXRQNKDM-MRVPVSSYSA-N 0 3 297.221 3.516 10 0 CHAEHN COc1ccc(Br)c2c1CCN[C@@H]2CC(C)C ZINC000071187273 176060700 /nfs/dbraw/zinc/06/07/00/176060700.db2.gz GDZVJWWMZAGSEG-GFCCVEGCSA-N 0 3 298.224 3.691 10 0 CHAEHN CCN[C@@H](C)c1cnn(Cc2cccc(Cl)c2)c1C ZINC000071193863 176075913 /nfs/dbraw/zinc/07/59/13/176075913.db2.gz FSCMQCQAZHAVKX-NSHDSACASA-N 0 3 277.799 3.564 10 0 CHAEHN CC[C@H](NC1=NC[C@@H](C2CC2)S1)c1ccccc1 ZINC000071307933 176116154 /nfs/dbraw/zinc/11/61/54/176116154.db2.gz BZNPZKUJENBAEN-KBPBESRZSA-N 0 3 260.406 3.609 10 0 CHAEHN CC(C)(C)C[C@H](N)c1cc(Br)cs1 ZINC000071588414 176216511 /nfs/dbraw/zinc/21/65/11/176216511.db2.gz QSVWYOWONVCQCY-QMMMGPOBSA-N 0 3 262.216 3.947 10 0 CHAEHN CCN[C@H](C)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000076784578 177091611 /nfs/dbraw/zinc/09/16/11/177091611.db2.gz VWBBDGXIIYCYIP-MRVPVSSYSA-N 0 3 268.332 3.759 10 0 CHAEHN CCN[C@@H](C)c1csc(-c2ccc(F)cc2)n1 ZINC000076784533 177091833 /nfs/dbraw/zinc/09/18/33/177091833.db2.gz HSPHOUCQLIQBGS-VIFPVBQESA-N 0 3 250.342 3.620 10 0 CHAEHN FC1(F)CCC[C@H](N[C@@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000330206458 228066118 /nfs/dbraw/zinc/06/61/18/228066118.db2.gz DGLLMAQNVMEVIW-QWHCGFSZSA-N 0 3 298.381 3.594 10 0 CHAEHN FC1(F)CCC[C@H](N[C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000330206458 228066121 /nfs/dbraw/zinc/06/61/21/228066121.db2.gz DGLLMAQNVMEVIW-QWHCGFSZSA-N 0 3 298.381 3.594 10 0 CHAEHN c1ccc2c(c1)OC[C@@H]2Nc1ccnc2ccccc21 ZINC000070079346 260151374 /nfs/dbraw/zinc/15/13/74/260151374.db2.gz TYXTZGJZHICAIV-INIZCTEOSA-N 0 3 262.312 3.780 10 0 CHAEHN OC[C@H]1CCCC[C@H]1NCc1cc(Cl)sc1Cl ZINC000312600399 260172987 /nfs/dbraw/zinc/17/29/87/260172987.db2.gz KRMCYHKYFKNQFQ-PSASIEDQSA-N 0 3 294.247 3.696 10 0 CHAEHN Cc1nccc(CN[C@@H]2CCC[C@@H](C(C)(C)C)CC2)n1 ZINC000086957343 260211097 /nfs/dbraw/zinc/21/10/97/260211097.db2.gz IKOGRBYWQCMSJJ-HUUCEWRRSA-N 0 3 275.440 3.870 10 0 CHAEHN CC(C)[C@@H](C)N[C@H](C)c1ncc(Br)s1 ZINC000126403956 260351631 /nfs/dbraw/zinc/35/16/31/260351631.db2.gz MUAKUVJGSYASCS-HTQZYQBOSA-N 0 3 277.231 3.601 10 0 CHAEHN COC[C@@H](N[C@H]1CC(C)(C)Oc2ccccc21)C(C)C ZINC000128973179 260380469 /nfs/dbraw/zinc/38/04/69/260380469.db2.gz LUQPBNAIWDRGRK-LSDHHAIUSA-N 0 3 277.408 3.549 10 0 CHAEHN CSc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCCO2)cc1F ZINC000152874964 261070500 /nfs/dbraw/zinc/07/05/00/261070500.db2.gz IEBGEEGILPPENN-MJVIPROJSA-N 0 3 283.412 3.766 10 0 CHAEHN C[C@H]1CC[C@H](NCc2cccn2C)c2ccccc21 ZINC000154175393 261088515 /nfs/dbraw/zinc/08/85/15/261088515.db2.gz CLSVXGKZFZIFCD-GUYCJALGSA-N 0 3 254.377 3.753 10 0 CHAEHN CC[C@H](C)[C@H](C)N(Cc1nc(-c2ccoc2)no1)C1CC1 ZINC000105717590 261315774 /nfs/dbraw/zinc/31/57/74/261315774.db2.gz SLTMPLVZQNRRGM-RYUDHWBXSA-N 0 3 289.379 3.729 10 0 CHAEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cc(C)cc(C)c1 ZINC000106206194 261322820 /nfs/dbraw/zinc/32/28/20/261322820.db2.gz MTVYBEISADLFIA-SFHVURJKSA-N 0 3 297.446 3.991 10 0 CHAEHN Cc1cnn([C@@H]2CCCN(Cc3cc(C)cc(C)c3)C2)c1 ZINC000106220016 261323478 /nfs/dbraw/zinc/32/34/78/261323478.db2.gz DCVWXFUOWRHKHY-GOSISDBHSA-N 0 3 283.419 3.645 10 0 CHAEHN Cc1ccnc(N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000301664130 261339237 /nfs/dbraw/zinc/33/92/37/261339237.db2.gz VUYUOKLOCWPNQN-FUHWJXTLSA-N 0 3 295.430 3.855 10 0 CHAEHN COc1cccc([C@H](C)N[C@@H](CN(C)C)c2ccccc2)c1 ZINC000120422856 262194894 /nfs/dbraw/zinc/19/48/94/262194894.db2.gz BJYIBGHREVFTAS-KXBFYZLASA-N 0 3 298.430 3.649 10 0 CHAEHN Cc1cccc(CN[C@@H](C)COCc2ccccc2)c1C ZINC000390567639 262219682 /nfs/dbraw/zinc/21/96/82/262219682.db2.gz QZZWHEXOTYGLLB-INIZCTEOSA-N 0 3 283.415 3.998 10 0 CHAEHN Cc1cc2c(cc1C)[C@H](N[C@H](C)[C@@H]1CCCO1)CCS2 ZINC000186995110 262334202 /nfs/dbraw/zinc/33/42/02/262334202.db2.gz HAIXMMKOUORHEU-BMFZPTHFSA-N 0 3 291.460 3.997 10 0 CHAEHN Cc1csc(C2CCN([C@H]3C=CCCC3)CC2)n1 ZINC000171735738 329079660 /nfs/dbraw/zinc/07/96/60/329079660.db2.gz KFMXUESIFWXBDD-AWEZNQCLSA-N 0 3 262.422 3.740 10 0 CHAEHN CNCc1ccccc1NC(=O)c1cc2ccccc2s1 ZINC000048856100 328323278 /nfs/dbraw/zinc/32/32/78/328323278.db2.gz LMDVXYNRDFNJRZ-UHFFFAOYSA-N 0 3 296.395 3.873 10 0 CHAEHN Cc1cc(CN2CCCC[C@H]2c2cn[nH]c2)c(C)s1 ZINC000172270978 329084526 /nfs/dbraw/zinc/08/45/26/329084526.db2.gz HVPKBFDTBLRASB-HNNXBMFYSA-N 0 3 275.421 3.815 10 0 CHAEHN Cc1nccn1C[C@@H]1CCCN1[C@@H](C)c1ccc(F)cc1 ZINC000178284082 329195647 /nfs/dbraw/zinc/19/56/47/329195647.db2.gz RZDKXGJRTQYXNB-GUYCJALGSA-N 0 3 287.382 3.556 10 0 CHAEHN CC(C)[C@H](C)N1Cc2cccc(NCCCCCO)c2C1 ZINC000179262334 329206848 /nfs/dbraw/zinc/20/68/48/329206848.db2.gz NNNJLCBPFWEPCL-HNNXBMFYSA-N 0 3 290.451 3.621 10 0 CHAEHN C[C@@H]1C[C@@H]1N[C@H]1CCCOc2c(Cl)cccc21 ZINC000247015744 329874523 /nfs/dbraw/zinc/87/45/23/329874523.db2.gz MOOXBULDCJUJOV-ICCXJUOJSA-N 0 3 251.757 3.552 10 0 CHAEHN C[C@H](N[C@H]1Cc2ccccc2[C@H]1O)c1csc(Cl)c1 ZINC000248683731 329897168 /nfs/dbraw/zinc/89/71/68/329897168.db2.gz FMMFOBRUCYPOTI-DYQSUWPFSA-N 0 3 293.819 3.710 10 0 CHAEHN CCn1nc(C)c([C@@H](C)NCC2=CCCCC2)c1C ZINC000379586181 330139424 /nfs/dbraw/zinc/13/94/24/330139424.db2.gz IWKAULPFFWQVIO-GFCCVEGCSA-N 0 3 261.413 3.671 10 0 CHAEHN C[C@H](NC[C@@H]1CCCCN1Cc1ccccc1)c1ccoc1 ZINC000379615833 330142084 /nfs/dbraw/zinc/14/20/84/330142084.db2.gz BGCGPCNCNJUMBA-LPHOPBHVSA-N 0 3 298.430 3.985 10 0 CHAEHN Cc1csc(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000079055098 330330236 /nfs/dbraw/zinc/33/02/36/330330236.db2.gz GKOGCADOGRHVRI-NXEZZACHSA-N 0 3 278.343 3.662 10 0 CHAEHN C[C@H](N[C@H]1CCO[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000119818414 330379078 /nfs/dbraw/zinc/37/90/78/330379078.db2.gz GEEUVDMCSVEJAH-RWEMILLDSA-N 0 3 274.191 3.821 10 0 CHAEHN CCSCCN[C@H](C)c1ccccc1Br ZINC000162405742 330910762 /nfs/dbraw/zinc/91/07/62/330910762.db2.gz WZHQWYQUCQXSRE-SNVBAGLBSA-N 0 3 288.254 3.853 10 0 CHAEHN C[C@@H](N[C@@H](C)COCc1ccccc1)c1cccc(O)c1 ZINC000194904092 331072613 /nfs/dbraw/zinc/07/26/13/331072613.db2.gz HRLNCTFIMFBWCL-LSDHHAIUSA-N 0 3 285.387 3.648 10 0 CHAEHN CCC[C@H](O)CN[C@@H](c1ccccc1)c1ccccc1C ZINC000166060509 331306530 /nfs/dbraw/zinc/30/65/30/331306530.db2.gz URXSVHNEJZYCSQ-HKUYNNGSSA-N 0 3 283.415 3.835 10 0 CHAEHN COc1ccc([C@H](C)N[C@H](C)COCc2ccccc2)cc1 ZINC000178066004 333067494 /nfs/dbraw/zinc/06/74/94/333067494.db2.gz SEIFOEIVUDXLCY-CVEARBPZSA-N 0 3 299.414 3.951 10 0 CHAEHN CCC[C@@H]1C[C@H]1NCc1cc(OC)c(OC)cc1SC ZINC000231673529 333327398 /nfs/dbraw/zinc/32/73/98/333327398.db2.gz OOJRGGNPDCSYSG-DGCLKSJQSA-N 0 3 295.448 3.704 10 0 CHAEHN CCC[C@@H]1C[C@H]1NCc1cnc(C(C)(C)C)s1 ZINC000231673778 333327413 /nfs/dbraw/zinc/32/74/13/333327413.db2.gz CIWCVNHNJAOEQF-ZYHUDNBSSA-N 0 3 252.427 3.719 10 0 CHAEHN Cc1ccc([C@H](C)NC[C@@H](O)CC2CCCC2)cc1F ZINC000232133316 333334374 /nfs/dbraw/zinc/33/43/74/333334374.db2.gz VWBXNVQZVLBGCH-BBRMVZONSA-N 0 3 279.399 3.726 10 0 CHAEHN CC[C@H](CCO)N[C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000126729880 333603630 /nfs/dbraw/zinc/60/36/30/333603630.db2.gz SXLOJLRVLCVYEV-IUODEOHRSA-N 0 3 297.826 3.613 10 0 CHAEHN C[C@H](NC[C@H]1CCC[C@@H]1O)c1cccc(Cl)c1Cl ZINC000129135894 333749621 /nfs/dbraw/zinc/74/96/21/333749621.db2.gz RDRBBFGWGDMJTJ-CWSCBRNRSA-N 0 3 288.218 3.805 10 0 CHAEHN Cc1ccccc1C1CC(N[C@@H]2COc3ccccc32)C1 ZINC000070529425 333814963 /nfs/dbraw/zinc/81/49/63/333814963.db2.gz WXMHTXUZYCJTFP-JTTJXQCZSA-N 0 3 279.383 3.964 10 0 CHAEHN c1ccc(C2CC(N[C@H]3COc4ccccc43)C2)cc1 ZINC000070528784 333814982 /nfs/dbraw/zinc/81/49/82/333814982.db2.gz DAEDBUINOGNGSC-DQPZFDDXSA-N 0 3 265.356 3.656 10 0 CHAEHN CCN1CCC[C@H](N[C@H]2C[C@H](C)Sc3sccc32)C1 ZINC000247204908 334277418 /nfs/dbraw/zinc/27/74/18/334277418.db2.gz WNVKEDJXAZCVBA-OBJOEFQTSA-N 0 3 296.505 3.747 10 0 CHAEHN C[C@H](N[C@@H](C)[C@H]1CCCO1)c1cccc(Cl)c1F ZINC000248562874 334306498 /nfs/dbraw/zinc/30/64/98/334306498.db2.gz NRMKFGSKRGNJHI-OUJBWJOFSA-N 0 3 271.763 3.697 10 0 CHAEHN Cc1ccc([C@@H]2CCCCN2CCO[C@H]2CCCCO2)o1 ZINC000248857457 334319765 /nfs/dbraw/zinc/31/97/65/334319765.db2.gz ZIMAKUVHXBZTGY-RDJZCZTQSA-N 0 3 293.407 3.658 10 0 CHAEHN CCC[C@H](C)CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000252733969 334388112 /nfs/dbraw/zinc/38/81/12/334388112.db2.gz XQLCAMGLBHVFHJ-DETPVDSQSA-N 0 3 283.362 3.509 10 0 CHAEHN Cc1csc([C@H]2CCCN([C@@H](C)c3ccccn3)C2)n1 ZINC000177088771 335358456 /nfs/dbraw/zinc/35/84/56/335358456.db2.gz RGRVQQHQEPJYHL-KBPBESRZSA-N 0 3 287.432 3.787 10 0 CHAEHN CCN[C@@H](C)c1ccc(F)cc1OC1CCCC1 ZINC000062747142 520074269 /nfs/dbraw/zinc/07/42/69/520074269.db2.gz IQYFECBSHUTMDR-NSHDSACASA-N 0 3 251.345 3.818 10 0 CHAEHN CCN[C@H](Cc1c(F)cccc1Cl)CC(F)(F)F ZINC000049347397 520203150 /nfs/dbraw/zinc/20/31/50/520203150.db2.gz JKUVDVUOXYKVCJ-MRVPVSSYSA-N 0 3 283.696 3.952 10 0 CHAEHN C[C@@H](CN1CCSC2(CCC2)CC1)C(F)(F)F ZINC000334732610 533863102 /nfs/dbraw/zinc/86/31/02/533863102.db2.gz KYFRHRUFCONFHL-JTQLQIEISA-N 0 3 267.360 3.546 10 0 CHAEHN C[C@H](CN1CCSC2(CCC2)CC1)C(F)(F)F ZINC000334732611 534069975 /nfs/dbraw/zinc/06/99/75/534069975.db2.gz KYFRHRUFCONFHL-SNVBAGLBSA-N 0 3 267.360 3.546 10 0 CHAEHN C[C@H]1C[C@H](NC[C@H](O)C(C)(C)C)c2ccsc2S1 ZINC000268869347 518185006 /nfs/dbraw/zinc/18/50/06/518185006.db2.gz IISWCORYOCJJDC-DLOVCJGASA-N 0 3 285.478 3.670 10 0 CHAEHN CC(C)CCOCc1occc1CNC(C)(C)C ZINC000052624530 519669263 /nfs/dbraw/zinc/66/92/63/519669263.db2.gz JQTDZLKHDVBEBI-UHFFFAOYSA-N 0 3 253.386 3.730 10 0 CHAEHN CC(C)[C@@H]1CCc2nc([C@@H]3CCCCN3)sc2C1 ZINC000054556893 519803594 /nfs/dbraw/zinc/80/35/94/519803594.db2.gz ODEWLEPAFFSKES-YPMHNXCESA-N 0 3 264.438 3.719 10 0 CHAEHN CCC1CCN(c2nc(C(C)(C)C)c(CN)s2)CC1 ZINC000055002092 519859923 /nfs/dbraw/zinc/85/99/23/519859923.db2.gz JSGPOTZZQLCEIB-UHFFFAOYSA-N 0 3 281.469 3.526 10 0 CHAEHN CC(C)n1c2c(cccc2Cl)nc1[C@H](N)C1CC1 ZINC000054502119 519925363 /nfs/dbraw/zinc/92/53/63/519925363.db2.gz FHMPVJRSAIUQBD-GFCCVEGCSA-N 0 3 263.772 3.680 10 0 CHAEHN CCCN[C@H](c1ccncc1)c1cc(F)ccc1C ZINC000055223223 520090683 /nfs/dbraw/zinc/09/06/83/520090683.db2.gz YYATVGNIZJFOMU-MRXNPFEDSA-N 0 3 258.340 3.618 10 0 CHAEHN CCN[C@H](c1ccc(F)cc1C)c1ncccc1C ZINC000055227305 520207655 /nfs/dbraw/zinc/20/76/55/520207655.db2.gz DDADISBUCPRTBD-MRXNPFEDSA-N 0 3 258.340 3.536 10 0 CHAEHN CCN[C@H](c1ccc(Cl)cc1)c1cncc(F)c1 ZINC000049576168 520208733 /nfs/dbraw/zinc/20/87/33/520208733.db2.gz WRNHOVYGRPQZBM-CQSZACIVSA-N 0 3 264.731 3.573 10 0 CHAEHN CCCCC[C@@H](NC)c1cc(OC)c(OC)cc1F ZINC000061561169 520291592 /nfs/dbraw/zinc/29/15/92/520291592.db2.gz SGGFJYJVBFYGQK-CYBMUJFWSA-N 0 3 269.360 3.684 10 0 CHAEHN CN[C@@H](C)c1cnc(C2(c3ccccc3)CCC2)s1 ZINC000062782015 522336282 /nfs/dbraw/zinc/33/62/82/522336282.db2.gz OJXSUBFEQFZSAI-LBPRGKRZSA-N 0 3 272.417 3.894 10 0 CHAEHN CN[C@@H](Cc1nc(C)cs1)c1ccccc1Cl ZINC000055268273 522364335 /nfs/dbraw/zinc/36/43/35/522364335.db2.gz TYJDJVCVCPPWQX-LBPRGKRZSA-N 0 3 266.797 3.608 10 0 CHAEHN C[C@H]1CN(Cc2ccc(Cl)cc2)c2ccccc2CN1 ZINC000062673115 524618178 /nfs/dbraw/zinc/61/81/78/524618178.db2.gz NTLFQPHOGYVYPE-ZDUSSCGKSA-N 0 3 286.806 3.838 10 0 CHAEHN COc1ccccc1[C@H](N)C(C)(C)c1ccccc1 ZINC000062773147 524792219 /nfs/dbraw/zinc/79/22/19/524792219.db2.gz BXSRHSOMOODHNV-INIZCTEOSA-N 0 3 255.361 3.673 10 0 CHAEHN Cc1ccc(F)c([C@@H](N)c2cccc(Br)c2)c1 ZINC000055205879 524834896 /nfs/dbraw/zinc/83/48/96/524834896.db2.gz YVRKPCPJCQUAJK-AWEZNQCLSA-N 0 3 294.167 3.945 10 0 CHAEHN C[C@@H](N)c1cc(F)ccc1OCCc1cccs1 ZINC000049585765 525025027 /nfs/dbraw/zinc/02/50/27/525025027.db2.gz IBBFIHWPRYBKLO-SNVBAGLBSA-N 0 3 265.353 3.528 10 0 CHAEHN COc1ccc([C@@H](C)N[C@@H]2CCOc3ccccc32)cc1 ZINC000037074359 525159407 /nfs/dbraw/zinc/15/94/07/525159407.db2.gz VORINTKLCATZIC-CXAGYDPISA-N 0 3 283.371 3.870 10 0 CHAEHN Cc1ccccc1[C@H](C)N1CCC[C@@H]1c1cnn(C)c1 ZINC000127663317 525406814 /nfs/dbraw/zinc/40/68/14/525406814.db2.gz HNMMPYQPNAVCSN-WMLDXEAASA-N 0 3 269.392 3.627 10 0 CHAEHN C[C@@H](N[C@@H](C)c1ccc(Cl)s1)[C@H]1CCCO1 ZINC000248744820 525606255 /nfs/dbraw/zinc/60/62/55/525606255.db2.gz CUEXPFRCJCIZFS-KXUCPTDWSA-N 0 3 259.802 3.620 10 0 CHAEHN C[C@H](N[C@H]1C[C@H]1C)c1sccc1Br ZINC000052274782 525639588 /nfs/dbraw/zinc/63/95/88/525639588.db2.gz YPCDVGAOFDQDKW-FJXKBIBVSA-N 0 3 260.200 3.570 10 0 CHAEHN C[C@@H]1[C@@H](C)CCCN1[C@@H](CN)c1ccc(Cl)s1 ZINC000050563401 525641527 /nfs/dbraw/zinc/64/15/27/525641527.db2.gz ONVRSLMNONUNPG-AXFHLTTASA-N 0 3 272.845 3.522 10 0 CHAEHN Cc1ccsc1[C@@H](N)c1cccc(OC(C)C)c1 ZINC000061666335 525873493 /nfs/dbraw/zinc/87/34/93/525873493.db2.gz GYKJFLFLBDQETH-AWEZNQCLSA-N 0 3 261.390 3.892 10 0 CHAEHN C[C@H](c1nc(-c2ccsc2)no1)[C@H](N)c1ccccc1 ZINC000157948514 526172617 /nfs/dbraw/zinc/17/26/17/526172617.db2.gz WMRDJXZEWCGKEQ-GWCFXTLKSA-N 0 3 285.372 3.602 10 0 CHAEHN FC1(F)CC(N[C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000290267610 526273534 /nfs/dbraw/zinc/27/35/34/526273534.db2.gz LDXYPICSNOTLAE-CQSZACIVSA-N 0 3 276.330 3.933 10 0 CHAEHN c1[nH]c2ccccc2c1C1CCN(Cc2ccccn2)CC1 ZINC000248088131 526392886 /nfs/dbraw/zinc/39/28/86/526392886.db2.gz KVSDAMWUSQCDPR-UHFFFAOYSA-N 0 3 291.398 3.943 10 0 CHAEHN Cc1nc(C(C)(C)C)sc1[C@@H](C)N[C@H]1C[C@@H]1C ZINC000052274793 526661066 /nfs/dbraw/zinc/66/10/66/526661066.db2.gz VZYIWYKUZYFDHK-NGZCFLSTSA-N 0 3 252.427 3.808 10 0 CHAEHN Cc1oc(COc2cc(Cl)ccc2Cl)cc1CN ZINC000052652637 526776310 /nfs/dbraw/zinc/77/63/10/526776310.db2.gz GYUXNYMGJNLJOW-UHFFFAOYSA-N 0 3 286.158 3.933 10 0 CHAEHN N[C@@H](c1cccc(Cl)c1)c1ccc2ncccc2c1 ZINC000062802094 527338604 /nfs/dbraw/zinc/33/86/04/527338604.db2.gz KPXZDOCRRJWXQX-INIZCTEOSA-N 0 3 268.747 3.936 10 0 CHAEHN N[C@@H](c1ccccc1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000054682007 527339365 /nfs/dbraw/zinc/33/93/65/527339365.db2.gz XCSGDKTTZXDNCM-KBPBESRZSA-N 0 3 282.170 3.727 10 0 CHAEHN N[C@H]1CCCc2nc(-c3ccc(F)c(Cl)c3)sc21 ZINC000062792771 527410370 /nfs/dbraw/zinc/41/03/70/527410370.db2.gz JSUMLSQBPNTJKF-JTQLQIEISA-N 0 3 282.771 3.939 10 0 CHAEHN COCCCNCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000013722552 567867526 /nfs/dbraw/zinc/86/75/26/567867526.db2.gz GNIWFSQXCDFVJE-UHFFFAOYSA-N 0 3 297.757 3.865 10 0 CHAEHN CC(C)(C)OC(=O)Nc1c(CN)ccc2ccccc21 ZINC000725244938 567908285 /nfs/dbraw/zinc/90/82/85/567908285.db2.gz BUNFJTOAASNJBQ-UHFFFAOYSA-N 0 3 272.348 3.646 10 0 CHAEHN CNCc1cc(Cl)ccc1OCc1ccccc1C ZINC000019777457 567944794 /nfs/dbraw/zinc/94/47/94/567944794.db2.gz JAAYSKJCVHFKNP-UHFFFAOYSA-N 0 3 275.779 3.947 10 0 CHAEHN C[C@H](NC[C@@H]1[C@H]2COC[C@H]21)c1cc(Cl)sc1Cl ZINC000367626615 1118055504 /nfs/dbraw/zinc/05/55/04/1118055504.db2.gz PLHYTFMADAESSB-MIBSWOBISA-N 0 3 292.231 3.598 10 0 CHAEHN CCNCc1sc(Cc2ccccc2)nc1C(C)C ZINC000082429553 178006817 /nfs/dbraw/zinc/00/68/17/178006817.db2.gz JMYCKHIFAIVCSG-UHFFFAOYSA-N 0 3 274.433 3.967 10 0 CHAEHN CC(C)c1nc(-c2ccncc2)sc1CNC1CC1 ZINC000082429831 178007555 /nfs/dbraw/zinc/00/75/55/178007555.db2.gz CQSFAYYHLHJSBR-UHFFFAOYSA-N 0 3 273.405 3.581 10 0 CHAEHN CC(C)c1nc(N2CCC(C)CC2)sc1CNC1CC1 ZINC000082434868 178012274 /nfs/dbraw/zinc/01/22/74/178012274.db2.gz XFNBXCWIHFUDKG-UHFFFAOYSA-N 0 3 293.480 3.755 10 0 CHAEHN CC(C)(C)c1nc(-c2ccncc2)sc1CNC1CC1 ZINC000082439283 178017588 /nfs/dbraw/zinc/01/75/88/178017588.db2.gz FAZHWSVGNMPKPE-UHFFFAOYSA-N 0 3 287.432 3.755 10 0 CHAEHN CC(C)(C)c1nc(C2CCCCC2)sc1CN ZINC000082440252 178018584 /nfs/dbraw/zinc/01/85/84/178018584.db2.gz HEOBHKLDZULYHH-UHFFFAOYSA-N 0 3 252.427 3.947 10 0 CHAEHN CCN[C@@H]1CC(CC)(CC)Oc2ccc(OC)cc21 ZINC000082508494 178073544 /nfs/dbraw/zinc/07/35/44/178073544.db2.gz PAGQXHQBCKIMGM-CQSZACIVSA-N 0 3 263.381 3.687 10 0 CHAEHN CCN[C@@H]1CC(CC)(CC)Oc2cc(OC)ccc21 ZINC000082508432 178073761 /nfs/dbraw/zinc/07/37/61/178073761.db2.gz IMVONUDJTJPRSP-CQSZACIVSA-N 0 3 263.381 3.687 10 0 CHAEHN CCN[C@H]1CC(CC)(CC)Oc2ccc(OC)cc21 ZINC000082508493 178073859 /nfs/dbraw/zinc/07/38/59/178073859.db2.gz PAGQXHQBCKIMGM-AWEZNQCLSA-N 0 3 263.381 3.687 10 0 CHAEHN CC(=O)[C@@H]1C[C@H](c2ccccc2)N(Cc2ccccc2)C1 ZINC000095764183 185026956 /nfs/dbraw/zinc/02/69/56/185026956.db2.gz HPIOOTFKTKCKLG-RTBURBONSA-N 0 3 279.383 3.839 10 0 CHAEHN CC(C)C[C@@H]1NCCc2c(Br)ccc(F)c21 ZINC000096806119 185114765 /nfs/dbraw/zinc/11/47/65/185114765.db2.gz BIVCPWUFDPHNNB-LBPRGKRZSA-N 0 3 286.188 3.821 10 0 CHAEHN Cc1cc([C@@H](N)Cc2ccc(Br)cc2)co1 ZINC000096978591 185145093 /nfs/dbraw/zinc/14/50/93/185145093.db2.gz YIJHQBTWQNJXNU-ZDUSSCGKSA-N 0 3 280.165 3.593 10 0 CHAEHN Cc1cc([C@@H](N)Cc2ccccc2Br)co1 ZINC000096978597 185145433 /nfs/dbraw/zinc/14/54/33/185145433.db2.gz IXXLBSLCFUDSBN-ZDUSSCGKSA-N 0 3 280.165 3.593 10 0 CHAEHN CCc1nc2n(n1)CCC[C@@H]2N[C@H](CC)C1CCCCC1 ZINC000167881322 529750124 /nfs/dbraw/zinc/75/01/24/529750124.db2.gz YNGBEBLENMRZGC-CABCVRRESA-N 0 3 290.455 3.624 10 0 CHAEHN CCCN[C@@H](c1ncccn1)[C@H]1CCCC[C@@H]1CC ZINC000104386422 185987973 /nfs/dbraw/zinc/98/79/73/185987973.db2.gz GPVDCDCOHZVKDQ-SOUVJXGZSA-N 0 3 261.413 3.734 10 0 CHAEHN CCNCc1c(Cl)cccc1SCCCOC ZINC000104440692 186003256 /nfs/dbraw/zinc/00/32/56/186003256.db2.gz WONJHSGSUISLFO-UHFFFAOYSA-N 0 3 273.829 3.578 10 0 CHAEHN CC[C@@H](CN1CCCC1)C(=O)c1cc(-c2ccccc2)no1 ZINC000005922960 170156094 /nfs/dbraw/zinc/15/60/94/170156094.db2.gz GUASCDJSZHYNGR-AWEZNQCLSA-N 0 3 298.386 3.646 10 0 CHAEHN O[C@]1(c2ccc(C(F)(F)F)cc2)CCN2CCCC[C@H]2C1 ZINC000006093310 170175680 /nfs/dbraw/zinc/17/56/80/170175680.db2.gz SEWOUMHWEWDIHT-LSDHHAIUSA-N 0 3 299.336 3.541 10 0 CHAEHN Fc1ccc(CNCc2c[nH]c3ccccc23)cc1 ZINC000006583719 170215702 /nfs/dbraw/zinc/21/57/02/170215702.db2.gz CHDMGYUKQAWFBP-UHFFFAOYSA-N 0 3 254.308 3.597 10 0 CHAEHN N[C@H](c1ccc2c(c1)CCO2)c1cc(Cl)cc(Cl)c1 ZINC000019971000 170954566 /nfs/dbraw/zinc/95/45/66/170954566.db2.gz VTAZVTBZLNIRIE-OAHLLOKOSA-N 0 3 294.181 3.976 10 0 CHAEHN CC[C@H](N[C@H](C)c1ccncc1)c1ccc(O)cc1 ZINC000020121316 171000080 /nfs/dbraw/zinc/00/00/80/171000080.db2.gz WHSJXTWNSOHFJP-WBMJQRKESA-N 0 3 256.349 3.589 10 0 CHAEHN C[C@H](N[C@H](CN(C)C)c1ccccc1)c1ccccc1F ZINC000020129355 171017285 /nfs/dbraw/zinc/01/72/85/171017285.db2.gz CAMYMHRMZJKSBW-KBXCAEBGSA-N 0 3 286.394 3.779 10 0 CHAEHN Cc1ccc([C@H](C)N[C@H](CN(C)C)c2ccccc2)cc1 ZINC000020129319 171017344 /nfs/dbraw/zinc/01/73/44/171017344.db2.gz ZMXCYJBMIORERI-QFBILLFUSA-N 0 3 282.431 3.949 10 0 CHAEHN C[C@H](N[C@H]1CCc2ccccc21)c1ccc(O)cc1 ZINC000020129731 171018060 /nfs/dbraw/zinc/01/80/60/171018060.db2.gz DWPXNPBSEQWLFF-SJCJKPOMSA-N 0 3 253.345 3.730 10 0 CHAEHN C[C@@H](N[C@@H](C)c1cccc(F)c1)c1ccc(O)cc1 ZINC000020147836 171035502 /nfs/dbraw/zinc/03/55/02/171035502.db2.gz VQCPAWMPWJCXCZ-NEPJUHHUSA-N 0 3 259.324 3.943 10 0 CHAEHN C=COCCCN[C@H](c1ccco1)c1ccccc1 ZINC000020197486 171061795 /nfs/dbraw/zinc/06/17/95/171061795.db2.gz KZRFRILFQFUDJF-INIZCTEOSA-N 0 3 257.333 3.509 10 0 CHAEHN C=COCCCNCc1c(Cl)cccc1Cl ZINC000020197569 171061993 /nfs/dbraw/zinc/06/19/93/171061993.db2.gz OIQOPXGBKFFXLI-UHFFFAOYSA-N 0 3 260.164 3.633 10 0 CHAEHN Cc1cccc(CN(C)[C@H](CN)c2ccc(Cl)cc2)c1 ZINC000020226001 171089300 /nfs/dbraw/zinc/08/93/00/171089300.db2.gz ZIHKXNKIHJPHPU-QGZVFWFLSA-N 0 3 288.822 3.780 10 0 CHAEHN NCc1c(Cl)cccc1N1CCCCCCC1 ZINC000020469770 171211817 /nfs/dbraw/zinc/21/18/17/171211817.db2.gz GHNPSUJBTFVIKM-UHFFFAOYSA-N 0 3 252.789 3.569 10 0 CHAEHN NCc1ccccc1Oc1cccc(Br)c1 ZINC000020470280 171212830 /nfs/dbraw/zinc/21/28/30/171212830.db2.gz VTLCZCXOSWNDQV-UHFFFAOYSA-N 0 3 278.149 3.700 10 0 CHAEHN CC(C)(C)OC[C@H](N)c1ccc(C(F)(F)F)cc1 ZINC000020510651 171230729 /nfs/dbraw/zinc/23/07/29/171230729.db2.gz CBLHDKIWSFMAJK-NSHDSACASA-N 0 3 261.287 3.520 10 0 CHAEHN COc1ccc(C)cc1[C@H](N)COc1cc(C)ccc1C ZINC000020546526 171243872 /nfs/dbraw/zinc/24/38/72/171243872.db2.gz XATVQBUXIVFECM-MRXNPFEDSA-N 0 3 285.387 3.699 10 0 CHAEHN CC(C)[C@@H](Oc1ccc(F)cc1)[C@@H](N)c1ccccc1 ZINC000020547791 171244894 /nfs/dbraw/zinc/24/48/94/171244894.db2.gz WHKAURLHIPDHES-DLBZAZTESA-N 0 3 273.351 3.929 10 0 CHAEHN Cc1ccc(C)c([C@H](N)COc2cccc(C)c2C)c1 ZINC000020551937 171247341 /nfs/dbraw/zinc/24/73/41/171247341.db2.gz SOGZXDDCXYDZMU-QGZVFWFLSA-N 0 3 269.388 3.999 10 0 CHAEHN CCc1ccc(OC[C@@H](N)c2ccc(C)cc2C)cc1 ZINC000020552666 171247647 /nfs/dbraw/zinc/24/76/47/171247647.db2.gz WHBVHQQHFIFKNZ-GOSISDBHSA-N 0 3 269.388 3.945 10 0 CHAEHN CCN(CC)CCN[C@H](C)c1ccc(Cl)cc1Cl ZINC000020562270 171252465 /nfs/dbraw/zinc/25/24/65/171252465.db2.gz MQHLCMCOSAFKJN-LLVKDONJSA-N 0 3 289.250 3.986 10 0 CHAEHN C[C@@H]1CCC[C@@H](NCc2c(F)cccc2F)[C@@H]1C ZINC000020565007 171253703 /nfs/dbraw/zinc/25/37/03/171253703.db2.gz VTEZYVFOBPZBAZ-UEKVPHQBSA-N 0 3 253.336 3.879 10 0 CHAEHN COc1ccccc1[C@H](N)COc1ccc(C(C)C)cc1 ZINC000020567329 171255154 /nfs/dbraw/zinc/25/51/54/171255154.db2.gz PDBDIDYVTZGBGF-QGZVFWFLSA-N 0 3 285.387 3.897 10 0 CHAEHN CCCOc1ccc(Cl)cc1CNCCN(CC)CC ZINC000020967786 171283006 /nfs/dbraw/zinc/28/30/06/171283006.db2.gz LXCUHSXVLWISFX-UHFFFAOYSA-N 0 3 298.858 3.560 10 0 CHAEHN CCc1ccc(OC[C@H](N)c2ccccc2C)cc1 ZINC000021009649 171286478 /nfs/dbraw/zinc/28/64/78/171286478.db2.gz QXKVTBPFMUQJMU-KRWDZBQOSA-N 0 3 255.361 3.636 10 0 CHAEHN Cc1ccc(O[C@@H](C)[C@@H](N)c2ccccc2)c(C)c1 ZINC000021503251 171306553 /nfs/dbraw/zinc/30/65/53/171306553.db2.gz QWCOIRNMZYSRKH-WMLDXEAASA-N 0 3 255.361 3.771 10 0 CHAEHN COc1ccc(O[C@@H](C(C)C)[C@H](N)c2ccccc2)cc1 ZINC000021515766 171312556 /nfs/dbraw/zinc/31/25/56/171312556.db2.gz LNTAFYSXDCUKCR-MSOLQXFVSA-N 0 3 285.387 3.799 10 0 CHAEHN C[C@H](N)c1c(F)cccc1N1CCCCCCC1 ZINC000021804929 171326996 /nfs/dbraw/zinc/32/69/96/171326996.db2.gz HFNWUVMFFGVJCX-LBPRGKRZSA-N 0 3 250.361 3.616 10 0 CHAEHN CCOc1ccc(OC[C@@H](N)c2cc(C)ccc2C)cc1 ZINC000021812454 171329643 /nfs/dbraw/zinc/32/96/43/171329643.db2.gz TYMVJPRWVOGFLF-GOSISDBHSA-N 0 3 285.387 3.781 10 0 CHAEHN Cc1cccc(NC(=O)Nc2ccccc2[C@@H](C)N)c1 ZINC000022164372 171365361 /nfs/dbraw/zinc/36/53/61/171365361.db2.gz STMLZPPYIBOLSK-GFCCVEGCSA-N 0 3 269.348 3.659 10 0 CHAEHN CCCc1ccc([C@@H](N)Cn2cnc3ccccc32)cc1 ZINC000023067395 171408665 /nfs/dbraw/zinc/40/86/65/171408665.db2.gz AMHYYNHDUVZXEG-INIZCTEOSA-N 0 3 279.387 3.689 10 0 CHAEHN CCCCCN[C@@H](c1ccccc1)c1ccncc1 ZINC000035174597 172027727 /nfs/dbraw/zinc/02/77/27/172027727.db2.gz SOTQVPFXBXNGJV-KRWDZBQOSA-N 0 3 254.377 3.951 10 0 CHAEHN C[C@H](N[C@@H](C)[C@@H]1CCCO1)c1ccc(Cl)s1 ZINC000035286350 172104199 /nfs/dbraw/zinc/10/41/99/172104199.db2.gz CUEXPFRCJCIZFS-GUBZILKMSA-N 0 3 259.802 3.620 10 0 CHAEHN C[C@@H](NC1=N[C@H](C)CS1)C12CC3CC(CC(C3)C1)C2 ZINC000035294340 172106103 /nfs/dbraw/zinc/10/61/03/172106103.db2.gz ONPQBSUYNVVFAK-YIZLIVJESA-N 0 3 278.465 3.672 10 0 CHAEHN N[C@@H](c1ccsc1)c1ccc(Br)cc1 ZINC000035379572 172161877 /nfs/dbraw/zinc/16/18/77/172161877.db2.gz GEWGQPFHMNHAPT-LLVKDONJSA-N 0 3 268.179 3.559 10 0 CHAEHN CCCCCCOc1cc(OCCC)ccc1CN ZINC000035413873 172186651 /nfs/dbraw/zinc/18/66/51/172186651.db2.gz MEZMAOKPUIZOFU-UHFFFAOYSA-N 0 3 265.397 3.893 10 0 CHAEHN CN[C@@H](c1ccc(C)s1)c1cncc(Br)c1 ZINC000035458863 172207202 /nfs/dbraw/zinc/20/72/02/172207202.db2.gz WASCURKXVKDMTR-GFCCVEGCSA-N 0 3 297.221 3.523 10 0 CHAEHN CN[C@@H](c1ccc(C)s1)c1ccc(F)cc1F ZINC000035459112 172208351 /nfs/dbraw/zinc/20/83/51/172208351.db2.gz AGJKPAAJAFRAEN-CYBMUJFWSA-N 0 3 253.317 3.644 10 0 CHAEHN CCc1ccc([C@H](NC)c2cc(F)cc(F)c2)s1 ZINC000035460888 172209287 /nfs/dbraw/zinc/20/92/87/172209287.db2.gz CDEQRQSFADJLDM-CQSZACIVSA-N 0 3 267.344 3.898 10 0 CHAEHN CCc1ccc([C@H](NC)c2cccc(OC)c2)s1 ZINC000035460974 172210006 /nfs/dbraw/zinc/21/00/06/172210006.db2.gz UQHNUSRCQSAPSP-OAHLLOKOSA-N 0 3 261.390 3.628 10 0 CHAEHN CN[C@H](c1cc(C)oc1C)c1ccc(Br)cc1 ZINC000035462356 172210677 /nfs/dbraw/zinc/21/06/77/172210677.db2.gz FVAYXWOJOXLMFS-AWEZNQCLSA-N 0 3 294.192 3.968 10 0 CHAEHN CN[C@H](Cc1ccc(C)cc1)c1ccc(F)cc1F ZINC000035491592 172225735 /nfs/dbraw/zinc/22/57/35/172225735.db2.gz TXEDJQFKLXQPMT-MRXNPFEDSA-N 0 3 261.315 3.776 10 0 CHAEHN CN[C@@H](c1ccsc1)c1ccc(OC(C)C)cc1 ZINC000035498562 172231941 /nfs/dbraw/zinc/23/19/41/172231941.db2.gz SGMJMDGKOFKHBT-OAHLLOKOSA-N 0 3 261.390 3.844 10 0 CHAEHN CCC[C@H](C)[C@@H](NC)c1cc2c(cc1Cl)OCCO2 ZINC000035501363 172235896 /nfs/dbraw/zinc/23/58/96/172235896.db2.gz FIUHTPYHUQXBPP-ZUZCIYMTSA-N 0 3 283.799 3.808 10 0 CHAEHN CN[C@H](CC(C)C)c1cc(OC)c(OC)cc1Cl ZINC000035501265 172235921 /nfs/dbraw/zinc/23/59/21/172235921.db2.gz RJQTZGVOLIQTFZ-GFCCVEGCSA-N 0 3 271.788 3.664 10 0 CHAEHN CCC[C@@H](C)[C@H](NC)c1cc2c(cc1Cl)OCCO2 ZINC000035501360 172235935 /nfs/dbraw/zinc/23/59/35/172235935.db2.gz FIUHTPYHUQXBPP-BMIGLBTASA-N 0 3 283.799 3.808 10 0 CHAEHN CN[C@H](c1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000035501513 172235998 /nfs/dbraw/zinc/23/59/98/172235998.db2.gz MCVUHCRVLPNCRZ-CYBMUJFWSA-N 0 3 267.159 3.697 10 0 CHAEHN CCOc1ccc(Br)cc1[C@@H](NC)[C@H]1C[C@@H]1C ZINC000035505979 172239095 /nfs/dbraw/zinc/23/90/95/172239095.db2.gz OYZVPEICUQOMOA-CHIMOYNISA-N 0 3 298.224 3.764 10 0 CHAEHN CCC(CC)[C@H](NC)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507400 172240283 /nfs/dbraw/zinc/24/02/83/172240283.db2.gz NKHZZQGCSKSBSB-HNNXBMFYSA-N 0 3 280.799 3.531 10 0 CHAEHN CCN[C@H](c1cccs1)c1ccc(F)c(F)c1 ZINC000035545450 172253598 /nfs/dbraw/zinc/25/35/98/172253598.db2.gz YJLKYKXSWLNPGB-ZDUSSCGKSA-N 0 3 253.317 3.725 10 0 CHAEHN CCN[C@@H](CCC(C)C)c1cc(F)ccc1OC ZINC000035554474 172261350 /nfs/dbraw/zinc/26/13/50/172261350.db2.gz BPYBOHKOQZYYQS-AWEZNQCLSA-N 0 3 253.361 3.921 10 0 CHAEHN CCN[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000035558257 172263529 /nfs/dbraw/zinc/26/35/29/172263529.db2.gz GMAJZBXSRFCWMY-STQMWFEESA-N 0 3 274.191 3.823 10 0 CHAEHN CCN[C@@H](Cc1ncc[nH]1)c1cc(Cl)ccc1Cl ZINC000035570548 172266371 /nfs/dbraw/zinc/26/63/71/172266371.db2.gz PCLMGMRUFOBLMV-LBPRGKRZSA-N 0 3 284.190 3.610 10 0 CHAEHN CCCN[C@H](c1cccs1)c1ccc(OC)c(F)c1 ZINC000035587141 172286499 /nfs/dbraw/zinc/28/64/99/172286499.db2.gz ATBFMGKGYLUJSW-HNNXBMFYSA-N 0 3 279.380 3.985 10 0 CHAEHN Cc1cc(Cl)cc2c1OCCC[C@@H]2NC1CC1 ZINC000035653022 172329411 /nfs/dbraw/zinc/32/94/11/172329411.db2.gz BMINLMIVEFHGBB-ZDUSSCGKSA-N 0 3 251.757 3.614 10 0 CHAEHN CC(C)N[C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000035654188 172330416 /nfs/dbraw/zinc/33/04/16/172330416.db2.gz KDVQWWQGNMOUFC-LLVKDONJSA-N 0 3 260.164 3.815 10 0 CHAEHN Cc1cc(Br)c2c(c1)[C@@H](NC1CC1)CCCO2 ZINC000035653779 172330431 /nfs/dbraw/zinc/33/04/31/172330431.db2.gz XLAHAKWIXZAOHN-ZDUSSCGKSA-N 0 3 296.208 3.723 10 0 CHAEHN CN(Cc1ccco1)[C@H](CN)c1c(Cl)cccc1Cl ZINC000035701083 172369274 /nfs/dbraw/zinc/36/92/74/172369274.db2.gz MUMOAHXRJACLQJ-CYBMUJFWSA-N 0 3 299.201 3.718 10 0 CHAEHN C[C@@H](N)c1cc(F)ccc1N(C)Cc1cccs1 ZINC000035717708 172372439 /nfs/dbraw/zinc/37/24/39/172372439.db2.gz NTUUHCYKCHVVOO-SNVBAGLBSA-N 0 3 264.369 3.543 10 0 CHAEHN CC(C)c1ccc(Sc2cc(CN)ccn2)cc1 ZINC000035720090 172374914 /nfs/dbraw/zinc/37/49/14/172374914.db2.gz WPSPQTPCTSVSBL-UHFFFAOYSA-N 0 3 258.390 3.815 10 0 CHAEHN CCCN[C@H]1C[C@@H](C)Oc2ccc(Br)cc21 ZINC000035751474 172396458 /nfs/dbraw/zinc/39/64/58/172396458.db2.gz MYNVDIAFAAVDNY-SKDRFNHKSA-N 0 3 284.197 3.661 10 0 CHAEHN CCCc1ccc(-c2c[nH]c([C@@H](N)CCC)n2)cc1 ZINC000036873914 172771150 /nfs/dbraw/zinc/77/11/50/172771150.db2.gz XITQOPQUALFBII-AWEZNQCLSA-N 0 3 257.381 3.829 10 0 CHAEHN CCNCc1cc(F)ccc1Oc1cccc(F)c1 ZINC000037237844 173055077 /nfs/dbraw/zinc/05/50/77/173055077.db2.gz UESIVNCLPUGXBR-UHFFFAOYSA-N 0 3 263.287 3.867 10 0 CHAEHN CCN(Cc1ccccc1)[C@H](CN)c1ccc(Cl)s1 ZINC000037328343 173129743 /nfs/dbraw/zinc/12/97/43/173129743.db2.gz NZIBIYPLYPFUSC-CYBMUJFWSA-N 0 3 294.851 3.923 10 0 CHAEHN CCCC[C@H](N)c1nc2cc(F)ccc2n1CCC ZINC000037439557 173209251 /nfs/dbraw/zinc/20/92/51/173209251.db2.gz KGLOHVNKASLLKY-LBPRGKRZSA-N 0 3 263.360 3.775 10 0 CHAEHN CSCC[C@H](N)c1nc2cc(F)ccc2n1C(C)C ZINC000037439721 173209840 /nfs/dbraw/zinc/20/98/40/173209840.db2.gz MRDLFULATUUHMW-NSHDSACASA-N 0 3 281.400 3.509 10 0 CHAEHN CCCn1c2ccc(Cl)cc2nc1[C@H](N)CCSC ZINC000037440552 173210036 /nfs/dbraw/zinc/21/00/36/173210036.db2.gz WHZSKAUQEAYTFT-LLVKDONJSA-N 0 3 297.855 3.853 10 0 CHAEHN CN[C@@H](CCOc1ccccc1)c1cccc(F)c1 ZINC000037533136 173253762 /nfs/dbraw/zinc/25/37/62/173253762.db2.gz UTNWACKATPKIAG-INIZCTEOSA-N 0 3 259.324 3.555 10 0 CHAEHN N[C@H](c1nc2cc(Cl)ccc2[nH]1)C1CCCCC1 ZINC000038036747 174036142 /nfs/dbraw/zinc/03/61/42/174036142.db2.gz YRJSDWKXNNIWKK-ZDUSSCGKSA-N 0 3 263.772 3.796 10 0 CHAEHN N[C@H](c1nc2ccc(Cl)cc2[nH]1)C1CCCCC1 ZINC000038036747 174036145 /nfs/dbraw/zinc/03/61/45/174036145.db2.gz YRJSDWKXNNIWKK-ZDUSSCGKSA-N 0 3 263.772 3.796 10 0 CHAEHN Fc1ccc(Br)c(CN[C@@H]2C[C@H]3CC=C[C@@H]32)c1 ZINC000038039141 174039563 /nfs/dbraw/zinc/03/95/63/174039563.db2.gz NUEFKFQKFPMVFH-LJWDBELGSA-N 0 3 296.183 3.642 10 0 CHAEHN CN[C@@H]1CCOc2c(Br)c3ccccc3cc21 ZINC000038077589 174088024 /nfs/dbraw/zinc/08/80/24/174088024.db2.gz IVBQCXJBNJZUPK-GFCCVEGCSA-N 0 3 292.176 3.645 10 0 CHAEHN N[C@]1(c2ccccc2Cl)CCCc2ccccc21 ZINC000038078311 174088702 /nfs/dbraw/zinc/08/87/02/174088702.db2.gz VBVNTBOBKABPMB-MRXNPFEDSA-N 0 3 257.764 3.879 10 0 CHAEHN CN[C@@H](Cc1ccccc1Cl)c1ccccc1F ZINC000038130509 174131607 /nfs/dbraw/zinc/13/16/07/174131607.db2.gz NBGUHIQHTKYVKZ-HNNXBMFYSA-N 0 3 263.743 3.982 10 0 CHAEHN NC[C@@H](c1cccc(Cl)c1Cl)N1CCCCCC1 ZINC000039034760 174161650 /nfs/dbraw/zinc/16/16/50/174161650.db2.gz KVVCIDSVNYZYSW-ZDUSSCGKSA-N 0 3 287.234 3.869 10 0 CHAEHN NC[C@H](c1ccc(Cl)cc1Cl)N1CCCCCC1 ZINC000039142606 174164545 /nfs/dbraw/zinc/16/45/45/174164545.db2.gz VOTKQXKBHQRRPI-CQSZACIVSA-N 0 3 287.234 3.869 10 0 CHAEHN C[C@@H]1CCC[C@H](OC[C@H](N)c2cc(F)ccc2F)C1 ZINC000040177345 174202238 /nfs/dbraw/zinc/20/22/38/174202238.db2.gz HIGAIENNXPVYSK-GMXABZIVSA-N 0 3 269.335 3.560 10 0 CHAEHN CC[C@@H](C)n1c2cc(Cl)ccc2nc1[C@@H](C)N ZINC000040408251 174254264 /nfs/dbraw/zinc/25/42/64/174254264.db2.gz MWADDADBYROWOS-RKDXNWHRSA-N 0 3 251.761 3.680 10 0 CHAEHN CC[C@@H](C)n1c2cc(Cl)ccc2nc1[C@H](C)N ZINC000040408259 174254300 /nfs/dbraw/zinc/25/43/00/174254300.db2.gz MWADDADBYROWOS-BDAKNGLRSA-N 0 3 251.761 3.680 10 0 CHAEHN N[C@@H](c1ccc(F)cc1)c1ccc(F)c(Cl)c1 ZINC000041655583 174593457 /nfs/dbraw/zinc/59/34/57/174593457.db2.gz HSGXBXDXSRGRQK-ZDUSSCGKSA-N 0 3 253.679 3.666 10 0 CHAEHN C[C@@H]1CCC[C@H](O[C@@H](CN)c2cccc(Cl)c2)C1 ZINC000043018464 174943868 /nfs/dbraw/zinc/94/38/68/174943868.db2.gz QPZAKCBJMBRMDC-UGFHNGPFSA-N 0 3 267.800 3.935 10 0 CHAEHN C[C@@H]1CCCC[C@@H]1O[C@@H](CN)c1cccc(Cl)c1 ZINC000043017896 174943986 /nfs/dbraw/zinc/94/39/86/174943986.db2.gz QPVPXKQDMXLIOH-UGFHNGPFSA-N 0 3 267.800 3.935 10 0 CHAEHN NCc1ccccc1OCc1cc(Br)cs1 ZINC000043686717 175094337 /nfs/dbraw/zinc/09/43/37/175094337.db2.gz LLTPKSPBEBPOKJ-UHFFFAOYSA-N 0 3 298.205 3.548 10 0 CHAEHN CC(C)n1nc(CNC2CCCC2)c(-c2ccccc2)n1 ZINC000045944878 175387504 /nfs/dbraw/zinc/38/75/04/175387504.db2.gz NWKWWJKSTQFYDO-UHFFFAOYSA-N 0 3 284.407 3.558 10 0 CHAEHN CCCN[C@H](C)c1csc(-c2cccs2)n1 ZINC000070841774 176008549 /nfs/dbraw/zinc/00/85/49/176008549.db2.gz ZOMAWKLUFQEYJW-SECBINFHSA-N 0 3 252.408 3.932 10 0 CHAEHN CCN[C@@H](C(=O)c1ccc(C(C)(C)C)cc1)C(C)C ZINC000071587895 176215678 /nfs/dbraw/zinc/21/56/78/176215678.db2.gz RVAMGYCRHUAKOF-OAHLLOKOSA-N 0 3 261.409 3.801 10 0 CHAEHN CCNCc1oc2cc(C)c(Cl)c(C)c2c1COC ZINC000077071702 177187795 /nfs/dbraw/zinc/18/77/95/177187795.db2.gz ORJJBDRTGVRQNZ-UHFFFAOYSA-N 0 3 281.783 3.959 10 0 CHAEHN COc1ccccc1C1CC(N[C@H](C)c2ccco2)C1 ZINC000037506802 260113826 /nfs/dbraw/zinc/11/38/26/260113826.db2.gz CTUFHBSVRXSIMH-IYXRBSQSSA-N 0 3 271.360 3.885 10 0 CHAEHN CC(C)[C@H](C)N[C@@H](C)c1ncc(Br)s1 ZINC000126403724 260351470 /nfs/dbraw/zinc/35/14/70/260351470.db2.gz MUAKUVJGSYASCS-YUMQZZPRSA-N 0 3 277.231 3.601 10 0 CHAEHN COc1ccccc1C1CC(NCc2ccc(C)o2)C1 ZINC000053036365 261272052 /nfs/dbraw/zinc/27/20/52/261272052.db2.gz HVIPAOVVMJYUNC-UHFFFAOYSA-N 0 3 271.360 3.632 10 0 CHAEHN Cc1nn(C)cc1CN[C@@H]1c2ccccc2CCC1(C)C ZINC000119315857 262159181 /nfs/dbraw/zinc/15/91/81/262159181.db2.gz QUPUGBBVLQFKIC-QGZVFWFLSA-N 0 3 283.419 3.532 10 0 CHAEHN COc1cccc([C@@H](C)N[C@H](CN(C)C)c2ccccc2)c1 ZINC000120423294 262194921 /nfs/dbraw/zinc/19/49/21/262194921.db2.gz BJYIBGHREVFTAS-DNVCBOLYSA-N 0 3 298.430 3.649 10 0 CHAEHN CCn1nc(C)c([C@H](C)NC[C@H]2CCCC2(F)F)c1C ZINC000390856476 262354470 /nfs/dbraw/zinc/35/44/70/262354470.db2.gz JTKNKFIRCDKYNA-GXFFZTMASA-N 0 3 285.382 3.606 10 0 CHAEHN c1coc([C@@H]2CCCN2Cc2ccc(-n3ccnc3)cc2)c1 ZINC000116292645 267138134 /nfs/dbraw/zinc/13/81/34/267138134.db2.gz MIBLOUXPVAFBFD-KRWDZBQOSA-N 0 3 293.370 3.802 10 0 CHAEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cccc(C)c1C ZINC000122767038 267923603 /nfs/dbraw/zinc/92/36/03/267923603.db2.gz VEPSWTCKNJZQGU-SFHVURJKSA-N 0 3 297.446 3.991 10 0 CHAEHN Cc1ccsc1CN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000122766083 267923941 /nfs/dbraw/zinc/92/39/41/267923941.db2.gz AJTXLFDFVXCXDP-AWEZNQCLSA-N 0 3 289.448 3.744 10 0 CHAEHN Cc1nc(CN[C@H]2CCCC[C@@H]2C(C)(C)C)oc1C ZINC000104074411 328775846 /nfs/dbraw/zinc/77/58/46/328775846.db2.gz HHHOLINBWIRFKN-KBPBESRZSA-N 0 3 264.413 3.986 10 0 CHAEHN CCn1cncc1CN[C@H](C)c1ccc(CC(C)C)cc1 ZINC000090170434 327031598 /nfs/dbraw/zinc/03/15/98/327031598.db2.gz KPRDFZJWIUNAJV-OAHLLOKOSA-N 0 3 285.435 3.952 10 0 CHAEHN CC[C@@H](NCC(=O)NC1CCCCCC1)c1ccccc1 ZINC000053341386 327232318 /nfs/dbraw/zinc/23/23/18/327232318.db2.gz OXDLEIJSNCTZFU-QGZVFWFLSA-N 0 3 288.435 3.566 10 0 CHAEHN Cc1cccc2c(NC[C@H]3CCC[C@H](O)C3)ccnc12 ZINC000301684997 328829679 /nfs/dbraw/zinc/82/96/79/328829679.db2.gz UDIYPDMHUVMOEG-KBPBESRZSA-N 0 3 270.376 3.506 10 0 CHAEHN Cc1cc(CN2CCCC[C@@H]2c2cn[nH]c2)c(C)s1 ZINC000172270973 329084275 /nfs/dbraw/zinc/08/42/75/329084275.db2.gz HVPKBFDTBLRASB-OAHLLOKOSA-N 0 3 275.421 3.815 10 0 CHAEHN Cc1cnn([C@@H]2CCCN(Cc3ccc4c(c3)CCC4)C2)c1 ZINC000172290242 329084531 /nfs/dbraw/zinc/08/45/31/329084531.db2.gz PKFOLQQNVGCWRY-LJQANCHMSA-N 0 3 295.430 3.517 10 0 CHAEHN COc1cccc([C@H](C)N2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000175653247 329167695 /nfs/dbraw/zinc/16/76/95/329167695.db2.gz QHZYDPXJOGWFOH-DOTOQJQBSA-N 0 3 299.418 3.598 10 0 CHAEHN C[C@H](N[C@H](c1ccncc1)c1ccc(F)cc1)C1CC1 ZINC000177313097 329185966 /nfs/dbraw/zinc/18/59/66/329185966.db2.gz XDZPPKCGPYWFBN-SJCJKPOMSA-N 0 3 270.351 3.698 10 0 CHAEHN Cc1ccc(CN2CCC(Nc3nccs3)CC2)s1 ZINC000189955230 329390824 /nfs/dbraw/zinc/39/08/24/329390824.db2.gz LLWYZNJETJBFLJ-UHFFFAOYSA-N 0 3 293.461 3.590 10 0 CHAEHN Cc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000246347524 329837672 /nfs/dbraw/zinc/83/76/72/329837672.db2.gz HJHMZLMFDKKHKM-KFWWJZLASA-N 0 3 290.455 3.616 10 0 CHAEHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1csc(Cl)c1 ZINC000248714788 329897732 /nfs/dbraw/zinc/89/77/32/329897732.db2.gz RENANOAHLQPVGE-VVUYAAESSA-N 0 3 285.840 3.866 10 0 CHAEHN C[C@@H]1C[C@H]1N[C@H]1CCSc2c(Cl)cccc21 ZINC000252716157 329945546 /nfs/dbraw/zinc/94/55/46/329945546.db2.gz XSUAYCMUAWSDDW-JFUSQASVSA-N 0 3 253.798 3.875 10 0 CHAEHN Cc1cnn(C)c1CN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000285384953 329954185 /nfs/dbraw/zinc/95/41/85/329954185.db2.gz GXECOALLHKBFDZ-AWEZNQCLSA-N 0 3 271.408 3.703 10 0 CHAEHN Cc1sc([C@@H](C)N)nc1-c1ccccc1Br ZINC000259078735 329968657 /nfs/dbraw/zinc/96/86/57/329968657.db2.gz CUFGQVYTUPCXRF-SSDOTTSWSA-N 0 3 297.221 3.901 10 0 CHAEHN Cc1cnn(CCN[C@@H](C)c2ccc(C(C)C)cc2)c1 ZINC000106402688 330337570 /nfs/dbraw/zinc/33/75/70/330337570.db2.gz LMYKYJWALSOCAF-HNNXBMFYSA-N 0 3 271.408 3.666 10 0 CHAEHN CC[C@H](N[C@@H]1CCCc2cc(F)ccc21)c1cnn(C)c1 ZINC000090964350 330397283 /nfs/dbraw/zinc/39/72/83/330397283.db2.gz FFMCLYBBXXSCLA-DLBZAZTESA-N 0 3 287.382 3.678 10 0 CHAEHN C[C@@H](CCCC(F)(F)F)N[C@@H]1COc2ccccc21 ZINC000163432563 331039041 /nfs/dbraw/zinc/03/90/41/331039041.db2.gz RRIFAOOAGSTDSR-CMPLNLGQSA-N 0 3 273.298 3.831 10 0 CHAEHN Cc1ccccc1[C@H](NC[C@@H](O)C(C)C)c1ccccc1 ZINC000166066424 331306711 /nfs/dbraw/zinc/30/67/11/331306711.db2.gz AJACNEGVBKVNRO-RTBURBONSA-N 0 3 283.415 3.691 10 0 CHAEHN C[C@H]1CC(CNCc2cc(Cl)ccc2F)C[C@H](C)O1 ZINC000466425363 331396646 /nfs/dbraw/zinc/39/66/46/331396646.db2.gz JZRSOUJYRMIMMI-QWRGUYRKSA-N 0 3 285.790 3.772 10 0 CHAEHN Fc1cccc(CCCN2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000182876672 333118050 /nfs/dbraw/zinc/11/80/50/333118050.db2.gz OZOCAXBDOFJNFC-KRWDZBQOSA-N 0 3 287.382 3.709 10 0 CHAEHN C[C@H](N[C@@H](C)[C@@H]1CCCO1)c1cccc(Cl)c1F ZINC000187496155 333171868 /nfs/dbraw/zinc/17/18/68/333171868.db2.gz NRMKFGSKRGNJHI-KWBADKCTSA-N 0 3 271.763 3.697 10 0 CHAEHN Cc1cc(Cl)ccc1CNCc1ccc(O)cc1 ZINC000129324347 333755728 /nfs/dbraw/zinc/75/57/28/333755728.db2.gz OFKRPDZOXURATF-UHFFFAOYSA-N 0 3 261.752 3.644 10 0 CHAEHN CC1CCC(CNCc2ccn(C3CCCC3)n2)CC1 ZINC000069994117 333796507 /nfs/dbraw/zinc/79/65/07/333796507.db2.gz YHJXKUPSUDCCIJ-UHFFFAOYSA-N 0 3 275.440 3.914 10 0 CHAEHN Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@H]1CCO[C@@H]1C ZINC000134243535 334085322 /nfs/dbraw/zinc/08/53/22/334085322.db2.gz XCDATBYOSRRTLY-WCQGTBRESA-N 0 3 282.453 3.577 10 0 CHAEHN Cc1ccc(-c2nnc([C@@H](C)N[C@@H](C)C(C)C)o2)cc1 ZINC000078406593 334132875 /nfs/dbraw/zinc/13/28/75/334132875.db2.gz PZDZDBIUQFQSHV-QWHCGFSZSA-N 0 3 273.380 3.740 10 0 CHAEHN Cc1ccc(OC(F)F)c([C@H](C)N[C@@H]2C[C@H]2C)c1 ZINC000246837260 334270425 /nfs/dbraw/zinc/27/04/25/334270425.db2.gz ASQQQNZGEXFRAF-JFGNBEQYSA-N 0 3 255.308 3.655 10 0 CHAEHN Cc1cnn([C@@H]2CCCN([C@H](C)c3cccc(C)c3)C2)c1 ZINC000247694414 334288542 /nfs/dbraw/zinc/28/85/42/334288542.db2.gz WKNUENNRTCGBMB-SJLPKXTDSA-N 0 3 283.419 3.898 10 0 CHAEHN COCc1ccc(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000268771918 334715711 /nfs/dbraw/zinc/71/57/11/334715711.db2.gz FGZUDYVJCORJFG-GHMZBOCLSA-N 0 3 291.313 3.637 10 0 CHAEHN CCC[C@@H]1C[C@@H]1N[C@H](C)c1cncc(Br)c1 ZINC000581082097 336006319 /nfs/dbraw/zinc/00/63/19/336006319.db2.gz HLLCQVAJWXEYQG-BREBYQMCSA-N 0 3 283.213 3.683 10 0 CHAEHN Cc1ccc(CN2CCC[C@@H]2Cn2ccnc2)cc1Cl ZINC000194642064 336035088 /nfs/dbraw/zinc/03/50/88/336035088.db2.gz KLJFDCJFTPPJPW-OAHLLOKOSA-N 0 3 289.810 3.510 10 0 CHAEHN CC(C)NCc1cnc(N(C)[C@@H](C)C(C)(C)C)s1 ZINC000054906417 519728725 /nfs/dbraw/zinc/72/87/25/519728725.db2.gz RDITXQYSBLFTTG-NSHDSACASA-N 0 3 269.458 3.512 10 0 CHAEHN CCN[C@H](c1ccc(Cl)cc1)[C@@H]1CCCCO1 ZINC000050961919 520207134 /nfs/dbraw/zinc/20/71/34/520207134.db2.gz WYQLKIZQVIFHRG-UONOGXRCSA-N 0 3 253.773 3.560 10 0 CHAEHN CCN[C@H]1CCCCc2c(Cl)cc(OC)c(OC)c21 ZINC000054741985 520213545 /nfs/dbraw/zinc/21/35/45/520213545.db2.gz YVBSDDDGEKSQFT-LBPRGKRZSA-N 0 3 283.799 3.734 10 0 CHAEHN CCCCN(CC)c1nc2c(s1)[C@H](N)CC(C)(C)C2 ZINC000054864559 520482999 /nfs/dbraw/zinc/48/29/99/520482999.db2.gz AYTZWJVQCCAGSP-LLVKDONJSA-N 0 3 281.469 3.742 10 0 CHAEHN CN[C@H](Cc1c(F)cccc1Cl)CC(F)(F)F ZINC000049347390 522470175 /nfs/dbraw/zinc/47/01/75/522470175.db2.gz HPTHNPPQPDJODU-SSDOTTSWSA-N 0 3 269.669 3.562 10 0 CHAEHN C[C@H]1C[C@@H](NC2CC2)c2c(F)ccc(F)c2S1 ZINC000035763146 518184869 /nfs/dbraw/zinc/18/48/69/518184869.db2.gz SAAQIOJXHGYYLL-WRWORJQWSA-N 0 3 255.333 3.642 10 0 CHAEHN CC(C)CN1C[C@H](c2ccccc2)NCc2ccccc21 ZINC000062671269 519732642 /nfs/dbraw/zinc/73/26/42/519732642.db2.gz CFIKNFXYTGWRIQ-GOSISDBHSA-N 0 3 280.415 3.994 10 0 CHAEHN CCCC1CCC(NC2=N[C@H](CC)CS2)CC1 ZINC000049546570 519898342 /nfs/dbraw/zinc/89/83/42/519898342.db2.gz WYVUZRQUKYCFOW-OTTFEQOBSA-N 0 3 254.443 3.816 10 0 CHAEHN CCCNCc1cccc(OC)c1OC[C@H](C)CC ZINC000050423862 519953887 /nfs/dbraw/zinc/95/38/87/519953887.db2.gz FMTSPXQFFPLEDM-CYBMUJFWSA-N 0 3 265.397 3.620 10 0 CHAEHN CCN[C@H](C)c1ccc(-c2cccc(F)c2F)o1 ZINC000052924556 520176037 /nfs/dbraw/zinc/17/60/37/520176037.db2.gz BILYKTFSZYMUEM-SECBINFHSA-N 0 3 251.276 3.895 10 0 CHAEHN CCCOc1ccc([C@@H](N)c2cccc(F)c2)cc1 ZINC000055263393 520416466 /nfs/dbraw/zinc/41/64/66/520416466.db2.gz FWGPQQHUTMPIQY-MRXNPFEDSA-N 0 3 259.324 3.663 10 0 CHAEHN CCOc1ccccc1[C@H](NC)c1ccccc1C ZINC000055240601 521588848 /nfs/dbraw/zinc/58/88/48/521588848.db2.gz HVFHNTLGSULWHP-QGZVFWFLSA-N 0 3 255.361 3.703 10 0 CHAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000236909500 521836847 /nfs/dbraw/zinc/83/68/47/521836847.db2.gz DNNRDNVPFNHEMG-SUMWQHHRSA-N 0 3 297.402 3.742 10 0 CHAEHN CNCc1cc(F)ccc1Oc1cccc(F)c1F ZINC000062616386 522114877 /nfs/dbraw/zinc/11/48/77/522114877.db2.gz XXCTXMQKWFDCRS-UHFFFAOYSA-N 0 3 267.250 3.616 10 0 CHAEHN CC[C@@H](C)OCc1cc(CNC(C)(C)C)c(C)o1 ZINC000052668803 522253405 /nfs/dbraw/zinc/25/34/05/522253405.db2.gz UPFBKQXUIMWJDT-LLVKDONJSA-N 0 3 253.386 3.791 10 0 CHAEHN CN[C@H](Cc1ccccn1)c1cc(Cl)ccc1Cl ZINC000055223848 522473409 /nfs/dbraw/zinc/47/34/09/522473409.db2.gz ZOGQAONSSURZDM-CQSZACIVSA-N 0 3 281.186 3.892 10 0 CHAEHN COc1ccc(C)cc1[C@@H](N)Cc1cccc(Cl)c1 ZINC000052944560 523854676 /nfs/dbraw/zinc/85/46/76/523854676.db2.gz LWGVTBXMRHWMNW-HNNXBMFYSA-N 0 3 275.779 3.900 10 0 CHAEHN CCc1ccc([C@@](C)(N)c2ccc(F)c(F)c2)cc1 ZINC000055237129 524041328 /nfs/dbraw/zinc/04/13/28/524041328.db2.gz FKHBVIZGDNJWCU-MRXNPFEDSA-N 0 3 261.315 3.749 10 0 CHAEHN Cc1ccc(C)c([C@](C)(N)c2cc(F)ccc2C)c1 ZINC000055198743 524212215 /nfs/dbraw/zinc/21/22/15/524212215.db2.gz ZATURKPPYHWNMB-KRWDZBQOSA-N 0 3 257.352 3.973 10 0 CHAEHN C[C@@H]1CCCN([C@@H](CN)c2ccc(Cl)s2)[C@@H]1C ZINC000050563400 524244360 /nfs/dbraw/zinc/24/43/60/524244360.db2.gz ONVRSLMNONUNPG-MXWKQRLJSA-N 0 3 272.845 3.522 10 0 CHAEHN C[C@@H]1CCC[C@H](N(C)c2cc(Cl)ccc2CN)C1 ZINC000062786919 524390404 /nfs/dbraw/zinc/39/04/04/524390404.db2.gz FDDILKLMXSRMBB-RISCZKNCSA-N 0 3 266.816 3.814 10 0 CHAEHN COc1ccc([C@H](C)N[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000120422130 525330819 /nfs/dbraw/zinc/33/08/19/525330819.db2.gz OCSLBUJUMZWSSH-KXBFYZLASA-N 0 3 298.430 3.649 10 0 CHAEHN Cc1cc([C@@H](N)c2ccc(Br)cc2)ccc1F ZINC000055205227 525481761 /nfs/dbraw/zinc/48/17/61/525481761.db2.gz BUBPQPQZCANNAT-AWEZNQCLSA-N 0 3 294.167 3.945 10 0 CHAEHN Cc1cc([C@H](N)c2ccc(Br)cc2)ccc1F ZINC000055205224 525536652 /nfs/dbraw/zinc/53/66/52/525536652.db2.gz BUBPQPQZCANNAT-CQSZACIVSA-N 0 3 294.167 3.945 10 0 CHAEHN N[C@@H](c1ccc(OC(F)F)cc1)C1=CCCCC1 ZINC000050325726 527339005 /nfs/dbraw/zinc/33/90/05/527339005.db2.gz RDZIIIZAGYOMJU-CYBMUJFWSA-N 0 3 253.292 3.788 10 0 CHAEHN N[C@@H]1CCCc2nc(-c3ccc(F)c(Cl)c3)sc21 ZINC000062792770 527361238 /nfs/dbraw/zinc/36/12/38/527361238.db2.gz JSUMLSQBPNTJKF-SNVBAGLBSA-N 0 3 282.771 3.939 10 0 CHAEHN N[C@@H]1CCCc2nc(C3(c4ccccc4)CC3)sc21 ZINC000062781997 527361704 /nfs/dbraw/zinc/36/17/04/527361704.db2.gz PHSJZKWKIHRKOG-GFCCVEGCSA-N 0 3 270.401 3.559 10 0 CHAEHN Cc1nn(C)cc1CN[C@H](C)c1ccc2ccccc2c1 ZINC000157690344 527693538 /nfs/dbraw/zinc/69/35/38/527693538.db2.gz UUFBALOGPHSDOD-CYBMUJFWSA-N 0 3 279.387 3.733 10 0 CHAEHN CCC[C@@H](N)c1cc2ccc(Br)cc2o1 ZINC000675081339 567027289 /nfs/dbraw/zinc/02/72/89/567027289.db2.gz RNLCWZJZKMWBQH-SNVBAGLBSA-N 0 3 268.154 3.995 10 0 CHAEHN CC[C@H](CO)N(C/C(C)=C/c1ccco1)Cc1ccco1 ZINC000055212075 567894248 /nfs/dbraw/zinc/89/42/48/567894248.db2.gz WEELIWZIYYAHGL-YVGNARHYSA-N 0 3 289.375 3.549 10 0 CHAEHN CC(C)n1cc(CNCc2ccncc2)c2ccccc21 ZINC000057353260 567894887 /nfs/dbraw/zinc/89/48/87/567894887.db2.gz JKGJDSCQMDEAKV-UHFFFAOYSA-N 0 3 279.387 3.907 10 0 CHAEHN CNc1c(N)cnc2ccc(Oc3ccccc3Cl)cc21 ZINC000584882902 570229421 /nfs/dbraw/zinc/22/94/21/570229421.db2.gz ZFNYVERDHYSVCE-UHFFFAOYSA-N 0 3 299.761 3.726 10 0 CHAEHN CCNCc1sc(-c2ccccc2Cl)nc1COC ZINC000082445294 178021842 /nfs/dbraw/zinc/02/18/42/178021842.db2.gz FBRJMGJDNWGVRA-UHFFFAOYSA-N 0 3 296.823 3.719 10 0 CHAEHN CC(C)NCc1sc([C@H]2CCCO2)nc1C(C)C ZINC000082430614 178008425 /nfs/dbraw/zinc/00/84/25/178008425.db2.gz GXHLLGODQSJJIF-LLVKDONJSA-N 0 3 268.426 3.616 10 0 CHAEHN CNCc1sc(CCOc2ccccc2)nc1C(C)C ZINC000082430900 178008959 /nfs/dbraw/zinc/00/89/59/178008959.db2.gz HRFWRNQKYBAODJ-UHFFFAOYSA-N 0 3 290.432 3.607 10 0 CHAEHN NCc1sc(Cc2cccc(Cl)c2)nc1C1CC1 ZINC000082435636 178013199 /nfs/dbraw/zinc/01/31/99/178013199.db2.gz XQKVKHBKYINCLJ-UHFFFAOYSA-N 0 3 278.808 3.723 10 0 CHAEHN CNCc1sc(Cc2cccc(Cl)c2)nc1C1CC1 ZINC000082435629 178013499 /nfs/dbraw/zinc/01/34/99/178013499.db2.gz IPZTVQLRTJCTKF-UHFFFAOYSA-N 0 3 292.835 3.984 10 0 CHAEHN CC(C)(C)c1nc(C2CC2)c(CNC2CC2)s1 ZINC000082436339 178014150 /nfs/dbraw/zinc/01/41/50/178014150.db2.gz XXOMPOFJXIBREV-UHFFFAOYSA-N 0 3 250.411 3.570 10 0 CHAEHN CCOc1cccc(-c2nc(C3CC3)c(CN)s2)c1 ZINC000082436689 178014907 /nfs/dbraw/zinc/01/49/07/178014907.db2.gz YTURIWLNYRKXFO-UHFFFAOYSA-N 0 3 274.389 3.545 10 0 CHAEHN CCCNCc1sc([C@H]2CCCO2)nc1C(C)(C)C ZINC000082440117 178018276 /nfs/dbraw/zinc/01/82/76/178018276.db2.gz CIOMLOXBYBEALI-LLVKDONJSA-N 0 3 282.453 3.792 10 0 CHAEHN CN[C@H]1CC2(CCCC2)Oc2ccc(Cl)cc21 ZINC000082508792 178074768 /nfs/dbraw/zinc/07/47/68/178074768.db2.gz QKRRQGVDDPZBDD-LBPRGKRZSA-N 0 3 251.757 3.696 10 0 CHAEHN N[C@H]1CC2(CCC2)Oc2c(Cl)cc(Cl)cc21 ZINC000095835672 185029453 /nfs/dbraw/zinc/02/94/53/185029453.db2.gz DZGWSEDHIMLGJT-JTQLQIEISA-N 0 3 258.148 3.698 10 0 CHAEHN CCN[C@H](C)c1cc(F)ccc1SCCCOC ZINC000104438324 186002418 /nfs/dbraw/zinc/00/24/18/186002418.db2.gz NFEVBDRGUQBEOP-LLVKDONJSA-N 0 3 271.401 3.625 10 0 CHAEHN Fc1ccc(CNCc2c[nH]c3ccccc23)cc1F ZINC000006583717 170215674 /nfs/dbraw/zinc/21/56/74/170215674.db2.gz GQEABRAPJXBPRK-UHFFFAOYSA-N 0 3 272.298 3.736 10 0 CHAEHN N[C@@H](Cc1ccc(F)cc1)c1c(F)cccc1Cl ZINC000011602951 170425713 /nfs/dbraw/zinc/42/57/13/170425713.db2.gz HLGRNVKGQYPURE-ZDUSSCGKSA-N 0 3 267.706 3.861 10 0 CHAEHN Cc1ccc(C)c([C@@H](N)c2ccc3c(c2)CCC3)c1 ZINC000019971600 170955002 /nfs/dbraw/zinc/95/50/02/170955002.db2.gz ORWTVRGULOEEHY-SFHVURJKSA-N 0 3 251.373 3.840 10 0 CHAEHN C[C@@H](N[C@@H]1CCOc2ccccc21)c1cccs1 ZINC000020148524 171037190 /nfs/dbraw/zinc/03/71/90/171037190.db2.gz XRNQOIVNCRRYBN-DGCLKSJQSA-N 0 3 259.374 3.923 10 0 CHAEHN C=COCCCNC(c1ccccc1)c1ccccc1 ZINC000020197579 171061966 /nfs/dbraw/zinc/06/19/66/171061966.db2.gz ZZKQPQYDYWCNIU-UHFFFAOYSA-N 0 3 267.372 3.916 10 0 CHAEHN Cc1ccccc1CN(C)[C@@H](CN)c1ccc(Cl)cc1 ZINC000020225998 171089346 /nfs/dbraw/zinc/08/93/46/171089346.db2.gz YBKAUVYSLFZHMY-KRWDZBQOSA-N 0 3 288.822 3.780 10 0 CHAEHN CN(Cc1ccccc1F)[C@H](CN)c1ccc(Cl)cc1 ZINC000020226005 171090074 /nfs/dbraw/zinc/09/00/74/171090074.db2.gz XROBVKVCFRSTOB-MRXNPFEDSA-N 0 3 292.785 3.611 10 0 CHAEHN Cc1cccc(CN(C)[C@H](CN)c2ccccc2Cl)c1 ZINC000020225901 171090485 /nfs/dbraw/zinc/09/04/85/171090485.db2.gz RZDAZJZGMUULGP-QGZVFWFLSA-N 0 3 288.822 3.780 10 0 CHAEHN CC[C@@H](Oc1ccccc1F)[C@@H](N)c1ccccc1 ZINC000020262544 171119517 /nfs/dbraw/zinc/11/95/17/171119517.db2.gz HWXUQCARQLSBTM-ZBFHGGJFSA-N 0 3 259.324 3.683 10 0 CHAEHN CC[C@@H](Oc1ccc(F)cc1)[C@@H](N)c1ccccc1 ZINC000020262604 171120599 /nfs/dbraw/zinc/12/05/99/171120599.db2.gz AZLYHJHNHQPQAE-CVEARBPZSA-N 0 3 259.324 3.683 10 0 CHAEHN C[C@H](N)c1ccc(-c2ccccc2Br)o1 ZINC000020267851 171123944 /nfs/dbraw/zinc/12/39/44/171123944.db2.gz QBZXFNJDGJCAPC-QMMMGPOBSA-N 0 3 266.138 3.729 10 0 CHAEHN C[C@H](N)c1ccc(-c2ccc(Br)cc2)o1 ZINC000020267858 171124300 /nfs/dbraw/zinc/12/43/00/171124300.db2.gz WALDUVZAIGZEQG-QMMMGPOBSA-N 0 3 266.138 3.729 10 0 CHAEHN N[C@@H](Cc1nc2ccccc2s1)c1cccs1 ZINC000020428195 171193089 /nfs/dbraw/zinc/19/30/89/171193089.db2.gz OSDJINWQOPDKHX-VIFPVBQESA-N 0 3 260.387 3.600 10 0 CHAEHN CCOc1ccccc1[C@H](N)c1cc(C)sc1C ZINC000020431505 171196272 /nfs/dbraw/zinc/19/62/72/171196272.db2.gz CSRRFJILLMHOJV-HNNXBMFYSA-N 0 3 261.390 3.812 10 0 CHAEHN C[C@H]1CCCC[C@H]1Oc1cccc(Cl)c1CN ZINC000020469977 171211373 /nfs/dbraw/zinc/21/13/73/171211373.db2.gz HVPHBZYHQYEMLQ-GXFFZTMASA-N 0 3 253.773 3.756 10 0 CHAEHN CCC(C)(C)OC[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000020511928 171231099 /nfs/dbraw/zinc/23/10/99/171231099.db2.gz UKKQDRONAYZJCP-GFCCVEGCSA-N 0 3 275.314 3.910 10 0 CHAEHN CCC(C)(C)OC[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000020511931 171231279 /nfs/dbraw/zinc/23/12/79/171231279.db2.gz UKKQDRONAYZJCP-LBPRGKRZSA-N 0 3 275.314 3.910 10 0 CHAEHN CCOc1ccc(O[C@H](C)[C@H](N)c2ccc(C)cc2)cc1 ZINC000020546344 171243991 /nfs/dbraw/zinc/24/39/91/171243991.db2.gz XOSPYPCUESVAEM-KDOFPFPSSA-N 0 3 285.387 3.861 10 0 CHAEHN COc1cccc(O[C@@H](C(C)C)[C@H](N)c2ccccc2)c1 ZINC000020548812 171245930 /nfs/dbraw/zinc/24/59/30/171245930.db2.gz AEXXLGOGRSCMQS-MSOLQXFVSA-N 0 3 285.387 3.799 10 0 CHAEHN CCOc1ccccc1[C@H](N)COc1c(C)cccc1C ZINC000020560606 171251805 /nfs/dbraw/zinc/25/18/05/171251805.db2.gz PTPDRVPCEWLODF-MRXNPFEDSA-N 0 3 285.387 3.781 10 0 CHAEHN COc1ccc(C)cc1[C@@H](N)COc1c(C)cccc1C ZINC000020561207 171251846 /nfs/dbraw/zinc/25/18/46/171251846.db2.gz CPRRUJDLTUBVRZ-INIZCTEOSA-N 0 3 285.387 3.699 10 0 CHAEHN Fc1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000020595887 171264338 /nfs/dbraw/zinc/26/43/38/171264338.db2.gz JKPATRPQYZAMTP-OAHLLOKOSA-N 0 3 288.341 3.651 10 0 CHAEHN CCCOc1ccccc1CNCCc1ccccc1 ZINC000020924372 171280172 /nfs/dbraw/zinc/28/01/72/171280172.db2.gz JKJNONRWPDVOIS-UHFFFAOYSA-N 0 3 269.388 3.808 10 0 CHAEHN Cc1ccc(OC[C@@H](N)c2ccc(C)cc2C)cc1 ZINC000021009018 171286112 /nfs/dbraw/zinc/28/61/12/171286112.db2.gz QYZWTXXYYZPJSH-QGZVFWFLSA-N 0 3 255.361 3.691 10 0 CHAEHN COc1ccc(C)cc1[C@H](N)COc1cccc(C)c1C ZINC000021010197 171286929 /nfs/dbraw/zinc/28/69/29/171286929.db2.gz JUXOWVOYDIJQMX-MRXNPFEDSA-N 0 3 285.387 3.699 10 0 CHAEHN Cc1ccc([C@H](N)CO[C@@H]2CCCC[C@@H]2C)cc1C ZINC000021501903 171305773 /nfs/dbraw/zinc/30/57/73/171305773.db2.gz DYDAUAZJBUDHRZ-IAOVAPTHSA-N 0 3 261.409 3.899 10 0 CHAEHN Cc1ccc(O[C@@H](C)[C@H](N)c2ccccc2)c(C)c1 ZINC000021503255 171306299 /nfs/dbraw/zinc/30/62/99/171306299.db2.gz QWCOIRNMZYSRKH-YOEHRIQHSA-N 0 3 255.361 3.771 10 0 CHAEHN CCc1ccc([C@@H](N)COc2cccc(C)c2C)cc1 ZINC000021512561 171310911 /nfs/dbraw/zinc/31/09/11/171310911.db2.gz BYZNDMHYQVTAKY-KRWDZBQOSA-N 0 3 269.388 3.945 10 0 CHAEHN Cc1ccc([C@@H](NCCN(C)C)c2ccccc2)c(C)c1 ZINC000022142065 171355551 /nfs/dbraw/zinc/35/55/51/171355551.db2.gz GKWWUBMZOYDGGL-IBGZPJMESA-N 0 3 282.431 3.544 10 0 CHAEHN COc1ccc(Oc2ccc(CN)cn2)c(C(C)(C)C)c1 ZINC000022176364 171370643 /nfs/dbraw/zinc/37/06/43/171370643.db2.gz IMDHEZJEPLDWPY-UHFFFAOYSA-N 0 3 286.375 3.639 10 0 CHAEHN CC[C@@H](C)c1ccccc1Oc1cc(CN)ccn1 ZINC000022223055 171379422 /nfs/dbraw/zinc/37/94/22/171379422.db2.gz YCIQCZWULLXNKE-GFCCVEGCSA-N 0 3 256.349 3.846 10 0 CHAEHN N[C@H](COC1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000022565789 171391957 /nfs/dbraw/zinc/39/19/57/171391957.db2.gz BQKFVNCIYMWSRO-CYBMUJFWSA-N 0 3 273.298 3.664 10 0 CHAEHN Cc1ccc([C@@H](N)[C@H](C)Oc2ccccc2F)cc1 ZINC000022564845 171392000 /nfs/dbraw/zinc/39/20/00/171392000.db2.gz WVEDLAYFARMKEF-LRDDRELGSA-N 0 3 259.324 3.601 10 0 CHAEHN CCC[C@H](C)NCC(=O)Nc1c(Cl)cccc1Cl ZINC000035159870 172017543 /nfs/dbraw/zinc/01/75/43/172017543.db2.gz FQLXYENPSTUGGJ-VIFPVBQESA-N 0 3 289.206 3.710 10 0 CHAEHN Cc1cc([C@@H](N)c2ccc3c(c2)CCCC3)c(C)o1 ZINC000035380810 172163729 /nfs/dbraw/zinc/16/37/29/172163729.db2.gz OEHMOFCOWBXMHZ-KRWDZBQOSA-N 0 3 255.361 3.823 10 0 CHAEHN CN[C@@H](c1cc2c(s1)CCCC2)c1ccccc1 ZINC000035464797 172212634 /nfs/dbraw/zinc/21/26/34/172212634.db2.gz CZDYYTMEKHGIGQ-MRXNPFEDSA-N 0 3 257.402 3.936 10 0 CHAEHN CN[C@@H](c1sccc1C)c1ccc(CCOC)cc1 ZINC000035467407 172216197 /nfs/dbraw/zinc/21/61/97/172216197.db2.gz GLULHNJCKFRRHM-OAHLLOKOSA-N 0 3 275.417 3.554 10 0 CHAEHN CN[C@H](c1ccc(F)c(F)c1)c1ccc(C)cc1C ZINC000035468164 172217141 /nfs/dbraw/zinc/21/71/41/172217141.db2.gz FVCVXKQKJWXTQS-MRXNPFEDSA-N 0 3 261.315 3.890 10 0 CHAEHN CN[C@@H](c1cccs1)c1ccccc1OC(F)F ZINC000035487875 172222833 /nfs/dbraw/zinc/22/28/33/172222833.db2.gz DFEGKZISOWVJIU-GFCCVEGCSA-N 0 3 269.316 3.658 10 0 CHAEHN CN[C@@H](c1ccc(C)s1)c1cc(F)ccc1OC ZINC000035498973 172231862 /nfs/dbraw/zinc/23/18/62/172231862.db2.gz BKEOLIRICAWVGC-CQSZACIVSA-N 0 3 265.353 3.513 10 0 CHAEHN CCOc1cc(Cl)c([C@H](CC)NC)cc1OCC ZINC000035501056 172234604 /nfs/dbraw/zinc/23/46/04/172234604.db2.gz BJOLYDDECISAAD-LBPRGKRZSA-N 0 3 271.788 3.808 10 0 CHAEHN CC[C@@H](C)[C@H](NC)c1cc2c(cc1Cl)OCCCO2 ZINC000035501150 172234615 /nfs/dbraw/zinc/23/46/15/172234615.db2.gz AWHULWFWNZJNGX-BMIGLBTASA-N 0 3 283.799 3.808 10 0 CHAEHN CN[C@@H](c1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000035501512 172235526 /nfs/dbraw/zinc/23/55/26/172235526.db2.gz MCVUHCRVLPNCRZ-ZDUSSCGKSA-N 0 3 267.159 3.697 10 0 CHAEHN CCC[C@H](NCC)c1cc(Br)ccc1OC ZINC000035508874 172240973 /nfs/dbraw/zinc/24/09/73/172240973.db2.gz XTTCHHJTJBQCRO-LBPRGKRZSA-N 0 3 286.213 3.908 10 0 CHAEHN CCN[C@H](c1ccc(C)s1)c1ccccc1OC ZINC000035510293 172241745 /nfs/dbraw/zinc/24/17/45/172241745.db2.gz PCYHPICMZABWOL-HNNXBMFYSA-N 0 3 261.390 3.764 10 0 CHAEHN CCN[C@@H](c1sccc1C)c1ccc2c(c1)CCO2 ZINC000035542157 172250442 /nfs/dbraw/zinc/25/04/42/172250442.db2.gz GLOQFCGMAQIVIT-OAHLLOKOSA-N 0 3 273.401 3.690 10 0 CHAEHN CCN[C@H](c1cccs1)c1cncc(Br)c1 ZINC000035545364 172253738 /nfs/dbraw/zinc/25/37/38/172253738.db2.gz CKMSPSQHRXCROL-LBPRGKRZSA-N 0 3 297.221 3.605 10 0 CHAEHN CCN[C@@H](c1cccc(C)c1)c1ccc(F)c(F)c1 ZINC000035549060 172256476 /nfs/dbraw/zinc/25/64/76/172256476.db2.gz FQVZHFRXADUFAV-INIZCTEOSA-N 0 3 261.315 3.972 10 0 CHAEHN CCCN[C@H](c1ccoc1C)c1ccc(OC)cc1 ZINC000035576277 172272997 /nfs/dbraw/zinc/27/29/97/172272997.db2.gz WOGNBXJHVDDNEU-INIZCTEOSA-N 0 3 259.349 3.686 10 0 CHAEHN CCCN[C@H](Cc1ncc[nH]1)c1cccc(Cl)c1Cl ZINC000035586654 172285977 /nfs/dbraw/zinc/28/59/77/172285977.db2.gz MEXBNJHZTPDWEX-GFCCVEGCSA-N 0 3 298.217 4.000 10 0 CHAEHN COC(=O)C[C@H](C)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000035748224 172395627 /nfs/dbraw/zinc/39/56/27/172395627.db2.gz BLDPLKSTXQVLFK-IUCAKERBSA-N 0 3 290.190 3.596 10 0 CHAEHN Clc1cccc2nc([C@H]3CCCCN3)n(C3CC3)c21 ZINC000037444436 173212385 /nfs/dbraw/zinc/21/23/85/173212385.db2.gz TYFGLCXLQRXNCU-CYBMUJFWSA-N 0 3 275.783 3.839 10 0 CHAEHN C[C@@](N)(c1cccc(F)c1)c1ccccc1Br ZINC000037529768 173252925 /nfs/dbraw/zinc/25/29/25/173252925.db2.gz VKGCYTDZESJBKH-CQSZACIVSA-N 0 3 294.167 3.810 10 0 CHAEHN CCN[C@H](c1cccc(C)c1)c1ccccc1OC ZINC000037533009 173253705 /nfs/dbraw/zinc/25/37/05/173253705.db2.gz RPERUCTYTCUKRI-QGZVFWFLSA-N 0 3 255.361 3.703 10 0 CHAEHN CC[C@H](C)NCc1nc2cccc(Cl)c2n1C1CC1 ZINC000037600197 173554157 /nfs/dbraw/zinc/55/41/57/173554157.db2.gz GJGGPXJZCKUFOZ-JTQLQIEISA-N 0 3 277.799 3.913 10 0 CHAEHN CCc1ccc([C@H](C)N[C@@H](C)C(=O)NC(C)(C)CC)cc1 ZINC000037980721 173940216 /nfs/dbraw/zinc/94/02/16/173940216.db2.gz SVMHYBLRKRLPNZ-KBPBESRZSA-N 0 3 290.451 3.593 10 0 CHAEHN C[C@@H](NC[C@@H](O)c1cccs1)c1cccc(Cl)c1 ZINC000037984590 173945805 /nfs/dbraw/zinc/94/58/05/173945805.db2.gz KODRKQPPQHLJCW-ZWNOBZJWSA-N 0 3 281.808 3.786 10 0 CHAEHN Nc1cccc2c1CCN([C@H]1CCSc3ccccc31)C2 ZINC000038032653 174029301 /nfs/dbraw/zinc/02/93/01/174029301.db2.gz HDTKJCWLKRODQG-KRWDZBQOSA-N 0 3 296.439 3.864 10 0 CHAEHN Cc1ccc(SCCN2CCc3c(N)cccc3C2)cc1 ZINC000038032808 174029953 /nfs/dbraw/zinc/02/99/53/174029953.db2.gz VJFMCCLOEQKIOT-UHFFFAOYSA-N 0 3 298.455 3.728 10 0 CHAEHN N[C@@H](c1nc2cc(Cl)ccc2[nH]1)C1CCCCC1 ZINC000038036746 174035975 /nfs/dbraw/zinc/03/59/75/174035975.db2.gz YRJSDWKXNNIWKK-CYBMUJFWSA-N 0 3 263.772 3.796 10 0 CHAEHN N[C@@H](c1nc2ccc(Cl)cc2[nH]1)C1CCCCC1 ZINC000038036746 174035976 /nfs/dbraw/zinc/03/59/76/174035976.db2.gz YRJSDWKXNNIWKK-CYBMUJFWSA-N 0 3 263.772 3.796 10 0 CHAEHN CCCOc1cccc(CN[C@@H](C)c2ccncc2)c1 ZINC000038038259 174038796 /nfs/dbraw/zinc/03/87/96/174038796.db2.gz OFBXNVNJIJBCCA-AWEZNQCLSA-N 0 3 270.376 3.721 10 0 CHAEHN CCNCc1cc(-c2cccc(F)c2)ccc1OC ZINC000038071644 174082727 /nfs/dbraw/zinc/08/27/27/174082727.db2.gz DINOKQCYUCXUAW-UHFFFAOYSA-N 0 3 259.324 3.611 10 0 CHAEHN CNCc1cc(-c2ccc3c(c2)CCC3)ccc1F ZINC000038073349 174083238 /nfs/dbraw/zinc/08/32/38/174083238.db2.gz NBRGUOSYLWFXMX-UHFFFAOYSA-N 0 3 255.336 3.701 10 0 CHAEHN C[C@@H](NCC[C@H]1CCCO1)c1ccccc1Br ZINC000038095473 174109302 /nfs/dbraw/zinc/10/93/02/174109302.db2.gz AZHCDGGQGUUMTA-VXGBXAGGSA-N 0 3 298.224 3.669 10 0 CHAEHN Cc1occc1[C@@H](N)Cc1ccc(Br)cc1 ZINC000038128442 174131674 /nfs/dbraw/zinc/13/16/74/174131674.db2.gz SIGNVMGSHZRGLX-ZDUSSCGKSA-N 0 3 280.165 3.593 10 0 CHAEHN CCCC[C@H](N)c1nc2ccccc2n1CCCOCC ZINC000040163839 174196773 /nfs/dbraw/zinc/19/67/73/174196773.db2.gz DQFMULZOFWUMOV-AWEZNQCLSA-N 0 3 289.423 3.653 10 0 CHAEHN C[C@H]1CCC[C@H](OC[C@H](N)c2ccc(F)cc2F)C1 ZINC000040177338 174202437 /nfs/dbraw/zinc/20/24/37/174202437.db2.gz LPYHLUCXMLVGIY-WBIUFABUSA-N 0 3 269.335 3.560 10 0 CHAEHN CCN[C@H]1CC(C)(C)Oc2cc(OC(C)C)ccc21 ZINC000043460373 175051188 /nfs/dbraw/zinc/05/11/88/175051188.db2.gz FHSDXXMOQUUGOI-AWEZNQCLSA-N 0 3 263.381 3.686 10 0 CHAEHN CSc1ccc(Oc2cccc(F)c2CN)cc1 ZINC000044248621 175156379 /nfs/dbraw/zinc/15/63/79/175156379.db2.gz LTMAMJGBVOSLCI-UHFFFAOYSA-N 0 3 263.337 3.799 10 0 CHAEHN c1cc(CNCc2ccccc2)n(-c2ccccc2)c1 ZINC000045205871 175327852 /nfs/dbraw/zinc/32/78/52/175327852.db2.gz FIEIHEREBZXWDU-UHFFFAOYSA-N 0 3 262.356 3.767 10 0 CHAEHN CCOc1ccc2nc(Nc3ccc(OC)cc3)[nH]c2c1 ZINC000045918801 175386378 /nfs/dbraw/zinc/38/63/78/175386378.db2.gz VKZPMDNNSSWQPW-UHFFFAOYSA-N 0 3 283.331 3.714 10 0 CHAEHN C[C@H](N)c1csc(-c2ccc(Br)cc2)n1 ZINC000070840409 176008265 /nfs/dbraw/zinc/00/82/65/176008265.db2.gz APMRZTMHLOKPBZ-ZETCQYMHSA-N 0 3 283.194 3.592 10 0 CHAEHN C[C@H](c1cccs1)N1Cc2ccc(F)cc2C1=N ZINC000071268774 176102440 /nfs/dbraw/zinc/10/24/40/176102440.db2.gz WZZSOIWEIZGHEM-SECBINFHSA-N 0 3 260.337 3.789 10 0 CHAEHN CC(C)Oc1ccc(CNC2CC2)cc1C(F)(F)F ZINC000071398787 176151886 /nfs/dbraw/zinc/15/18/86/176151886.db2.gz PPXWPNYDTWHRNS-UHFFFAOYSA-N 0 3 273.298 3.745 10 0 CHAEHN COc1ccc2c(c1)C1(CC1)CN[C@@H]2c1ccccc1C ZINC000071630426 176236142 /nfs/dbraw/zinc/23/61/42/176236142.db2.gz OUUIBOZAVLVJED-GOSISDBHSA-N 0 3 279.383 3.728 10 0 CHAEHN COc1ccc2c(c1)C1(CC1)CN[C@H]2c1ccccc1C ZINC000071630427 176236231 /nfs/dbraw/zinc/23/62/31/176236231.db2.gz OUUIBOZAVLVJED-SFHVURJKSA-N 0 3 279.383 3.728 10 0 CHAEHN COc1ccc2c(c1)C1(CC1)CN[C@H]2c1ccc(F)cc1 ZINC000071633481 176237883 /nfs/dbraw/zinc/23/78/83/176237883.db2.gz KQXMOOPIGAPEOB-KRWDZBQOSA-N 0 3 283.346 3.559 10 0 CHAEHN CCCC[C@@H](CC)CN[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037219620 260075317 /nfs/dbraw/zinc/07/53/17/260075317.db2.gz YFBJQFMMDBSJOZ-GDBMZVCRSA-N 0 3 288.435 3.900 10 0 CHAEHN Cc1cccc(CC[C@@H](C)NCc2ncccc2C)c1 ZINC000071339977 260161845 /nfs/dbraw/zinc/16/18/45/260161845.db2.gz BOSWHVWOSDFHCF-MRXNPFEDSA-N 0 3 268.404 3.809 10 0 CHAEHN COc1ccccc1C1CC(N[C@H](C)c2nccs2)C1 ZINC000080265136 260178659 /nfs/dbraw/zinc/17/86/59/260178659.db2.gz FLTJVOAYZOCLAM-PNESKVBLSA-N 0 3 288.416 3.749 10 0 CHAEHN CCCn1ccc(CN[C@@H](C)c2ccc(OC)cc2)c1 ZINC000091016045 260264784 /nfs/dbraw/zinc/26/47/84/260264784.db2.gz OLYCERGRZVFGGX-AWEZNQCLSA-N 0 3 272.392 3.758 10 0 CHAEHN CCn1cccc1CNCc1ccccc1C(F)(F)F ZINC000091127716 260265294 /nfs/dbraw/zinc/26/52/94/260265294.db2.gz CTPRFBAQBBNIGT-UHFFFAOYSA-N 0 3 282.309 3.817 10 0 CHAEHN COc1ccc(Br)c(CN[C@H](C)C(C)C)c1 ZINC000083702910 260355025 /nfs/dbraw/zinc/35/50/25/260355025.db2.gz SJBUOUXNJNELDT-SNVBAGLBSA-N 0 3 286.213 3.592 10 0 CHAEHN CSc1ccc([C@H](C)N[C@H](C)[C@@H]2CCCO2)cc1F ZINC000152875188 261070693 /nfs/dbraw/zinc/07/06/93/261070693.db2.gz IEBGEEGILPPENN-WDMOLILDSA-N 0 3 283.412 3.766 10 0 CHAEHN CCC(CC)CN(CC)Cc1nc(-c2ccoc2)no1 ZINC000105717501 261315585 /nfs/dbraw/zinc/31/55/85/261315585.db2.gz SHJVITBFTXOQSW-UHFFFAOYSA-N 0 3 277.368 3.588 10 0 CHAEHN C[C@H](COCc1ccccc1)N[C@@H](C)c1ccccc1 ZINC000390576117 262222171 /nfs/dbraw/zinc/22/21/71/262222171.db2.gz FQOZRVCAMQTQIH-CVEARBPZSA-N 0 3 269.388 3.943 10 0 CHAEHN COc1ccccc1OCCN1CCC[C@@H]1c1ccco1 ZINC000116290367 267136225 /nfs/dbraw/zinc/13/62/25/267136225.db2.gz FTSKCEWUOBSPCC-CQSZACIVSA-N 0 3 287.359 3.504 10 0 CHAEHN COc1ccccc1OCCN1CCC[C@H]1c1ccco1 ZINC000116290369 267138193 /nfs/dbraw/zinc/13/81/93/267138193.db2.gz FTSKCEWUOBSPCC-AWEZNQCLSA-N 0 3 287.359 3.504 10 0 CHAEHN CCC[C@](C)(N)C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000037621924 326858029 /nfs/dbraw/zinc/85/80/29/326858029.db2.gz AZEWVYBRVYDSGD-KSSFIOAISA-N 0 3 290.451 3.580 10 0 CHAEHN Cc1csc([C@@H]2CCCN([C@H]3C=CCCC3)C2)n1 ZINC000171735755 329079753 /nfs/dbraw/zinc/07/97/53/329079753.db2.gz IZUMZDUNEAHKDB-KGLIPLIRSA-N 0 3 262.422 3.740 10 0 CHAEHN CCCCCOc1ccc(CN[C@@H]2CCO[C@H]2C)cc1 ZINC000149450954 329176749 /nfs/dbraw/zinc/17/67/49/329176749.db2.gz JDURRBDWXUPXBF-WMLDXEAASA-N 0 3 277.408 3.523 10 0 CHAEHN CO[C@@H]1CC[C@@H](N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000249024508 329903808 /nfs/dbraw/zinc/90/38/08/329903808.db2.gz KRLHSJABCCYNOE-UMVBOHGHSA-N 0 3 293.382 3.585 10 0 CHAEHN COc1ccccc1/C=C/CN[C@H](C)c1cccc(O)c1 ZINC000105461280 330326540 /nfs/dbraw/zinc/32/65/40/330326540.db2.gz YPCKUTDFZTWHMV-VIIAAUOXSA-N 0 3 283.371 3.765 10 0 CHAEHN Cc1ccccc1[C@H](NC[C@H]1CCCO1)c1ccccc1 ZINC000105689676 330327966 /nfs/dbraw/zinc/32/79/66/330327966.db2.gz CYDNTOHBKOJUAA-IEBWSBKVSA-N 0 3 281.399 3.853 10 0 CHAEHN C[C@@H](N[C@H]1C[C@@H]1c1ccccc1)c1cccc(O)c1 ZINC000044674278 330331636 /nfs/dbraw/zinc/33/16/36/330331636.db2.gz RSFBIAQLMJXORA-JLZZUVOBSA-N 0 3 253.345 3.599 10 0 CHAEHN C[C@H](N[C@@H]1CCO[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000119818092 330379104 /nfs/dbraw/zinc/37/91/04/330379104.db2.gz GEEUVDMCSVEJAH-IGJMFERPSA-N 0 3 274.191 3.821 10 0 CHAEHN CC[C@H](N[C@H](C)[C@@H]1CCCO1)c1cc(C)ccc1OC ZINC000093397135 330420242 /nfs/dbraw/zinc/42/02/42/330420242.db2.gz LJBWSNLKPRFBRH-KBMXLJTQSA-N 0 3 277.408 3.612 10 0 CHAEHN CC(C)[C@H](C)NCc1cccc(F)c1Br ZINC000156691854 330744351 /nfs/dbraw/zinc/74/43/51/330744351.db2.gz KPZFOQIFUKEADW-VIFPVBQESA-N 0 3 274.177 3.722 10 0 CHAEHN Cc1ccc2c(c1)[C@@H](N[C@H](CN(C)C)c1ccccc1)CC2 ZINC000163848414 331134585 /nfs/dbraw/zinc/13/45/85/331134585.db2.gz XNHDAEWMODBXKS-VQTJNVASSA-N 0 3 294.442 3.875 10 0 CHAEHN CS[C@@H]1CC[C@H]1N[C@H](C)c1ccc(Cl)s1 ZINC000309082065 332950816 /nfs/dbraw/zinc/95/08/16/332950816.db2.gz RDJPFHLNRPRUBG-NQMVMOMDSA-N 0 3 261.843 3.946 10 0 CHAEHN COc1ccccc1[C@H](C)N[C@H](C)COCc1ccccc1 ZINC000178064080 333067377 /nfs/dbraw/zinc/06/73/77/333067377.db2.gz NJTBAPWOCFPDHZ-CVEARBPZSA-N 0 3 299.414 3.951 10 0 CHAEHN C[C@H](c1ccc(F)c(F)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178704081 333076880 /nfs/dbraw/zinc/07/68/80/333076880.db2.gz AIUBQZJUZUBKTQ-SUYBPPKGSA-N 0 3 295.373 3.653 10 0 CHAEHN Cc1cncc([C@H](C)N[C@H](C)COCc2ccccc2)c1 ZINC000184371193 333127914 /nfs/dbraw/zinc/12/79/14/333127914.db2.gz JWOVDHVAUZBFOI-CVEARBPZSA-N 0 3 284.403 3.646 10 0 CHAEHN CC(C)C[C@@H](CN(C)C)N[C@H](C)c1cccc(F)c1F ZINC000224984025 333228163 /nfs/dbraw/zinc/22/81/63/333228163.db2.gz GCEKWJGGOLWWGW-OLZOCXBDSA-N 0 3 284.394 3.592 10 0 CHAEHN Cc1ccc([C@H](C)NCc2cnn(C(C)C)c2)c(C)c1 ZINC000226241752 333254834 /nfs/dbraw/zinc/25/48/34/333254834.db2.gz OPJSNIFJMCGMJM-HNNXBMFYSA-N 0 3 271.408 3.932 10 0 CHAEHN Cc1nocc1CN[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000339175868 335142110 /nfs/dbraw/zinc/14/21/10/335142110.db2.gz ISAXBBPSQDODAI-ORVZXPRGSA-N 0 3 274.408 3.678 10 0 CHAEHN Cc1ccc(OC(F)F)c([C@H](C)N[C@@H](C)[C@H]2CCCO2)c1 ZINC000246867006 334270968 /nfs/dbraw/zinc/27/09/68/334270968.db2.gz DESFNHZHPOCXIO-SGMGOOAPSA-N 0 3 299.361 3.815 10 0 CHAEHN C[C@@H]1C[C@H](N[C@H](CCO)c2ccco2)CC(C)(C)C1 ZINC000249027662 334325086 /nfs/dbraw/zinc/32/50/86/334325086.db2.gz RYLQSWXBWPNYTE-HZSPNIEDSA-N 0 3 265.397 3.508 10 0 CHAEHN CC[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1ccc2ccccc2c1 ZINC000249237725 334330414 /nfs/dbraw/zinc/33/04/14/334330414.db2.gz NXMOBWVBWYGFSW-ZNMIVQPWSA-N 0 3 298.430 3.794 10 0 CHAEHN Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@H]1C[C@H]1C ZINC000249910459 334341931 /nfs/dbraw/zinc/34/19/31/334341931.db2.gz VZYIWYKUZYFDHK-YWVKMMECSA-N 0 3 252.427 3.808 10 0 CHAEHN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1cncc(Br)c1 ZINC000581082102 336006335 /nfs/dbraw/zinc/00/63/35/336006335.db2.gz HLLCQVAJWXEYQG-CWSCBRNRSA-N 0 3 283.213 3.683 10 0 CHAEHN C[C@@H](CN(C)Cc1ccccc1)Nc1ccc(Cl)cn1 ZINC000381096898 336049842 /nfs/dbraw/zinc/04/98/42/336049842.db2.gz YLONMPKXWCALBV-ZDUSSCGKSA-N 0 3 289.810 3.667 10 0 CHAEHN CCCOc1cccc([C@H](NC)c2cccs2)c1 ZINC000061667623 520470466 /nfs/dbraw/zinc/47/04/66/520470466.db2.gz OAVQAUYBTLBICU-HNNXBMFYSA-N 0 3 261.390 3.846 10 0 CHAEHN CCC[C@@H](C)COc1cc(F)ccc1[C@@H](C)NC ZINC000062746274 520632683 /nfs/dbraw/zinc/63/26/83/520632683.db2.gz INJVIIIVVYJVBL-VXGBXAGGSA-N 0 3 253.361 3.921 10 0 CHAEHN CC[C@@H](C)COc1ccc(OC)cc1CNC(C)C ZINC000050423538 522005616 /nfs/dbraw/zinc/00/56/16/522005616.db2.gz MYXQMULCZFNBJK-CYBMUJFWSA-N 0 3 265.397 3.618 10 0 CHAEHN CNCc1c(Cl)cccc1N1CCC(C)(C)CC1 ZINC000061820850 522101123 /nfs/dbraw/zinc/10/11/23/522101123.db2.gz FFTOXXWWSVNYDL-UHFFFAOYSA-N 0 3 266.816 3.686 10 0 CHAEHN CC(C)[C@H](N)c1nc2c(s1)C[C@@H](C(C)C)CC2 ZINC000054556845 519817910 /nfs/dbraw/zinc/81/79/10/519817910.db2.gz FIHWUUOEKCBLHZ-GWCFXTLKSA-N 0 3 252.427 3.560 10 0 CHAEHN CCCN1C[C@@H](c2ccccc2)NCc2ccccc21 ZINC000062662949 519864647 /nfs/dbraw/zinc/86/46/47/519864647.db2.gz FBRKHKUMSMCGQC-KRWDZBQOSA-N 0 3 266.388 3.748 10 0 CHAEHN CCCC1CCC(NC2=NC(C)(C)CS2)CC1 ZINC000049546573 519898132 /nfs/dbraw/zinc/89/81/32/519898132.db2.gz ZXTZFUCRSNDMJH-UHFFFAOYSA-N 0 3 254.443 3.816 10 0 CHAEHN CCNC(C)(C)c1nc2cc(C)ccc2n1C(C)C ZINC000061149798 519909058 /nfs/dbraw/zinc/90/90/58/519909058.db2.gz BBBAXBFOUYBROU-UHFFFAOYSA-N 0 3 259.397 3.770 10 0 CHAEHN CCCCCCOc1nc(C)cc(C)c1CNCC ZINC000051542026 520108528 /nfs/dbraw/zinc/10/85/28/520108528.db2.gz ZAFKPXZIMDTPQE-UHFFFAOYSA-N 0 3 264.413 3.767 10 0 CHAEHN CCCOc1ccc([C@@H](C)NCc2ccncc2)cc1 ZINC000020140114 520414817 /nfs/dbraw/zinc/41/48/17/520414817.db2.gz XDFZXYYTPJLXIB-CQSZACIVSA-N 0 3 270.376 3.721 10 0 CHAEHN CCCCN(CC)c1nc2c(s1)[C@@H](N)CC(C)(C)C2 ZINC000054864560 520483351 /nfs/dbraw/zinc/48/33/51/520483351.db2.gz AYTZWJVQCCAGSP-NSHDSACASA-N 0 3 281.469 3.742 10 0 CHAEHN CCN(c1cc(Cl)ccc1CN)C1CCCCC1 ZINC000062786740 521479211 /nfs/dbraw/zinc/47/92/11/521479211.db2.gz JHFSUBKEGQWDGJ-UHFFFAOYSA-N 0 3 266.816 3.958 10 0 CHAEHN CNCc1ccc(Oc2cc(F)cc(F)c2)c(F)c1 ZINC000054933417 522125010 /nfs/dbraw/zinc/12/50/10/522125010.db2.gz BMHHHCGTNIBKJI-UHFFFAOYSA-N 0 3 267.250 3.616 10 0 CHAEHN CN[C@@H](C[C@@H]1CCCO1)c1cccc(Cl)c1Cl ZINC000055223488 522360713 /nfs/dbraw/zinc/36/07/13/522360713.db2.gz RKABYINZNUTEAQ-CABZTGNLSA-N 0 3 274.191 3.823 10 0 CHAEHN CN[C@@H](c1ccc(F)cc1C)c1cc(F)ccc1C ZINC000055228431 522367389 /nfs/dbraw/zinc/36/73/89/522367389.db2.gz OJEGWACGWCVKPG-INIZCTEOSA-N 0 3 261.315 3.890 10 0 CHAEHN CN[C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCCCO1 ZINC000050961743 522368274 /nfs/dbraw/zinc/36/82/74/522368274.db2.gz ANQVGJOLCXCKKJ-OLZOCXBDSA-N 0 3 274.191 3.823 10 0 CHAEHN CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000055225555 522457188 /nfs/dbraw/zinc/45/71/88/522457188.db2.gz NAYHODBKFBKXIU-SECBINFHSA-N 0 3 271.204 3.918 10 0 CHAEHN CN[C@H](Cc1ccncc1)c1cccc(Cl)c1Cl ZINC000055229148 522475472 /nfs/dbraw/zinc/47/54/72/522475472.db2.gz YHAJLTUWVRLJJD-CYBMUJFWSA-N 0 3 281.186 3.892 10 0 CHAEHN CC[C@@H](NCc1ncc(CSC)s1)C(C)C ZINC000293429628 522896349 /nfs/dbraw/zinc/89/63/49/522896349.db2.gz BASGZMLWPJMWBY-LLVKDONJSA-N 0 3 258.456 3.530 10 0 CHAEHN CC[C@H](c1cccs1)N1Cc2ccc(N)cc2C1 ZINC000049531893 522952527 /nfs/dbraw/zinc/95/25/27/522952527.db2.gz UCUYAJPAKVJJNI-CQSZACIVSA-N 0 3 258.390 3.797 10 0 CHAEHN C[C@H](N)c1cnc(Cc2ccc(F)cc2Cl)s1 ZINC000062608548 524869072 /nfs/dbraw/zinc/86/90/72/524869072.db2.gz QPVNIJNSOFZOPX-ZETCQYMHSA-N 0 3 270.760 3.546 10 0 CHAEHN C[C@H]1c2ccsc2CCN1c1ccc(Cl)cc1CN ZINC000052857574 525132562 /nfs/dbraw/zinc/13/25/62/525132562.db2.gz XVDQSFVLTISUCA-JTQLQIEISA-N 0 3 292.835 3.984 10 0 CHAEHN Cc1ccccc1[C@H](C)NCc1cnn(C(C)(C)C)c1 ZINC000037228521 525418080 /nfs/dbraw/zinc/41/80/80/525418080.db2.gz VZHBWZLWYZKFBY-AWEZNQCLSA-N 0 3 271.408 3.797 10 0 CHAEHN C[C@H](N[C@H]1C[C@H]1C)c1ccc(Br)s1 ZINC000052275045 525638015 /nfs/dbraw/zinc/63/80/15/525638015.db2.gz SFAIBOSCCGIIEC-CSMHCCOUSA-N 0 3 260.200 3.570 10 0 CHAEHN C[C@@H](N[C@H](CN(C)C)c1ccccc1)c1ccsc1 ZINC000050338866 525666603 /nfs/dbraw/zinc/66/66/03/525666603.db2.gz PBWJYGLMXYIGRV-CZUORRHYSA-N 0 3 274.433 3.702 10 0 CHAEHN Cc1ccc([C@H](C)NCc2cncc(F)c2)cc1C ZINC000275188958 525930897 /nfs/dbraw/zinc/93/08/97/525930897.db2.gz OPPVVMQYDJZVFG-ZDUSSCGKSA-N 0 3 258.340 3.688 10 0 CHAEHN N=C(N)c1c(F)cccc1Oc1ccc(Cl)cc1 ZINC000062714753 526819933 /nfs/dbraw/zinc/81/99/33/526819933.db2.gz BDZYAERWLDMCNQ-UHFFFAOYSA-N 0 3 264.687 3.555 10 0 CHAEHN N[C@H]1CCCc2nc(-c3cccc(Cl)c3F)sc21 ZINC000062606468 527410387 /nfs/dbraw/zinc/41/03/87/527410387.db2.gz AZGDIVBIVRXLTR-VIFPVBQESA-N 0 3 282.771 3.939 10 0 CHAEHN C[C@@H]1CCCN(Cc2cc(N)ccc2Br)[C@H]1C ZINC000252681944 566977825 /nfs/dbraw/zinc/97/78/25/566977825.db2.gz BHDGEMDZBJDLGD-MNOVXSKESA-N 0 3 297.240 3.652 10 0 CHAEHN CC(C)[C@H](N)c1cc2c(cccc2Br)o1 ZINC000675081218 567028261 /nfs/dbraw/zinc/02/82/61/567028261.db2.gz MNMQGTSFLRCNPJ-LBPRGKRZSA-N 0 3 268.154 3.851 10 0 CHAEHN CN(Cc1cc(N)ccc1Br)C1CCCCC1 ZINC000128343852 570369257 /nfs/dbraw/zinc/36/92/57/570369257.db2.gz KSTIZFMZMQDNES-UHFFFAOYSA-N 0 3 297.240 3.796 10 0 CHAEHN CCN(Cc1c(N)cccc1Br)CC(C)C ZINC000037110894 570411451 /nfs/dbraw/zinc/41/14/51/570411451.db2.gz NJVLXXPKKIBLLA-UHFFFAOYSA-N 0 3 285.229 3.509 10 0 CHAEHN CC[C@H](N[C@@H]1CCCc2n[nH]cc21)c1cccs1 ZINC000368606805 1118057858 /nfs/dbraw/zinc/05/78/58/1118057858.db2.gz FZIWBHUZSMQUDU-NWDGAFQWSA-N 0 3 261.394 3.590 10 0 CHAEHN Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3N[C@@H]1CCCNC1=O ZINC000329671014 1119475659 /nfs/dbraw/zinc/47/56/59/1119475659.db2.gz TXSGHZDTGPEYGV-HZPDHXFCSA-N 0 3 297.402 3.562 10 0 CHAEHN CNCc1sc(Cc2ccc(OC)cc2)nc1C(C)C ZINC000082429610 178006864 /nfs/dbraw/zinc/00/68/64/178006864.db2.gz TZBMMJXBXXNJAX-UHFFFAOYSA-N 0 3 290.432 3.585 10 0 CHAEHN CC(C)Cc1nc(C(C)C)c(CNC2CC2)s1 ZINC000082430445 178008248 /nfs/dbraw/zinc/00/82/48/178008248.db2.gz LCTOGZGRVFTDPE-UHFFFAOYSA-N 0 3 252.427 3.717 10 0 CHAEHN CCNCc1sc(CC(C)C)nc1C(C)(C)C ZINC000082439981 178018411 /nfs/dbraw/zinc/01/84/11/178018411.db2.gz VICLJBCJDUXVGC-UHFFFAOYSA-N 0 3 254.443 3.749 10 0 CHAEHN CN[C@@H]1CC(C)(C)Oc2cc(C)c(Cl)c(C)c21 ZINC000082505634 178069577 /nfs/dbraw/zinc/06/95/77/178069577.db2.gz FKMHLQVKEBZEHR-SNVBAGLBSA-N 0 3 253.773 3.778 10 0 CHAEHN CC(C)C[C@@H]1NCCc2c(Br)cc(F)cc21 ZINC000096807700 185114895 /nfs/dbraw/zinc/11/48/95/185114895.db2.gz ULDXHMTYDFDEEG-ZDUSSCGKSA-N 0 3 286.188 3.821 10 0 CHAEHN COc1cc([C@H](N)CC(C)C)c(OC)cc1C(C)C ZINC000096889454 185123820 /nfs/dbraw/zinc/12/38/20/185123820.db2.gz KSLTUNKPEDNLLE-CQSZACIVSA-N 0 3 265.397 3.873 10 0 CHAEHN Cc1ccccc1Sc1ccccc1N1CCNCC1 ZINC000095562676 136517379 /nfs/dbraw/zinc/51/73/79/136517379.db2.gz MBWUFSQDLZYQLA-UHFFFAOYSA-N 0 3 284.428 3.556 10 0 CHAEHN Clc1ccc2c(c1)N1CCCN=C1N2Cc1ccccc1 ZINC000005331661 170086404 /nfs/dbraw/zinc/08/64/04/170086404.db2.gz GDSSOAHMENUFCF-UHFFFAOYSA-N 0 3 297.789 3.926 10 0 CHAEHN CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(O)c1-3 ZINC000005833961 170145493 /nfs/dbraw/zinc/14/54/93/170145493.db2.gz WZJSIHGOLMMBAL-INIZCTEOSA-N 0 3 279.383 3.925 10 0 in-vitro CHAEHN Cc1cc(C)c(Cn2ccnc2CNCC(C)C)c(C)c1 ZINC000006690198 170226417 /nfs/dbraw/zinc/22/64/17/170226417.db2.gz VSBQGRYBXHVGEG-UHFFFAOYSA-N 0 3 285.435 3.602 10 0 CHAEHN CC(C)NCc1ccccc1OCc1ccccc1F ZINC000010435876 170407049 /nfs/dbraw/zinc/40/70/49/170407049.db2.gz WQGQDCTTZBKTRK-UHFFFAOYSA-N 0 3 273.351 3.903 10 0 CHAEHN Cc1ccccc1COc1ccc(Cl)cc1CN ZINC000011891057 170454603 /nfs/dbraw/zinc/45/46/03/170454603.db2.gz JIVAWBWRPRWLQP-UHFFFAOYSA-N 0 3 261.752 3.686 10 0 CHAEHN CC(C)c1ccccc1OC[C@H](N)c1ccccc1 ZINC000019254968 170758745 /nfs/dbraw/zinc/75/87/45/170758745.db2.gz YZYSHVSVXQGMPX-INIZCTEOSA-N 0 3 255.361 3.889 10 0 CHAEHN Cc1cccc(O[C@H](CN)c2ccccc2F)c1C ZINC000019671765 170835969 /nfs/dbraw/zinc/83/59/69/170835969.db2.gz JQOAMCIIKSGBMV-MRXNPFEDSA-N 0 3 259.324 3.521 10 0 CHAEHN C[C@@H](N[C@H](CN(C)C)c1ccccc1)c1ccccc1F ZINC000020129354 171017316 /nfs/dbraw/zinc/01/73/16/171017316.db2.gz CAMYMHRMZJKSBW-RDTXWAMCSA-N 0 3 286.394 3.779 10 0 CHAEHN c1ccc2c(c1)CC[C@H]2N[C@H]1CCOc2ccccc21 ZINC000020130034 171018683 /nfs/dbraw/zinc/01/86/83/171018683.db2.gz RHPJUSONSUDWHK-SJORKVTESA-N 0 3 265.356 3.787 10 0 CHAEHN C[C@H](NC(C1CC1)C1CC1)c1c(F)cccc1F ZINC000020130905 171019967 /nfs/dbraw/zinc/01/99/67/171019967.db2.gz IRNHRHNPFNPXEP-VIFPVBQESA-N 0 3 251.320 3.804 10 0 CHAEHN CC[C@H]1CCCCN1Cc1ccc(Cl)c(N)c1 ZINC000020192461 171058027 /nfs/dbraw/zinc/05/80/27/171058027.db2.gz WEDTZRNDARMQHZ-LBPRGKRZSA-N 0 3 252.789 3.687 10 0 CHAEHN C[C@@H](N[C@H](C)[C@@H]1CCCO1)c1ccccc1Br ZINC000020206727 171071443 /nfs/dbraw/zinc/07/14/43/171071443.db2.gz OOPBOOGRNSHMKO-GYSYKLTISA-N 0 3 298.224 3.667 10 0 CHAEHN Cc1cccc([C@@H](CN)N(C)Cc2ccccc2Cl)c1 ZINC000020225497 171088382 /nfs/dbraw/zinc/08/83/82/171088382.db2.gz FGUWSVPVZKSYOV-QGZVFWFLSA-N 0 3 288.822 3.780 10 0 CHAEHN CN(Cc1ccccc1Cl)[C@H](CN)c1ccccc1F ZINC000020225607 171088551 /nfs/dbraw/zinc/08/85/51/171088551.db2.gz PBVXZNHAYXYATK-MRXNPFEDSA-N 0 3 292.785 3.611 10 0 CHAEHN C[C@@H](N)c1ccccc1OCc1ccc2ncccc2c1 ZINC000020247943 171100900 /nfs/dbraw/zinc/10/09/00/171100900.db2.gz VTVFQNWRPDTOAU-CYBMUJFWSA-N 0 3 278.355 3.834 10 0 CHAEHN Cc1ccc(CN(C)Cc2ccc(N)c(C)c2)cc1 ZINC000020264693 171122227 /nfs/dbraw/zinc/12/22/27/171122227.db2.gz BFVBUJBCDRCPFF-UHFFFAOYSA-N 0 3 254.377 3.518 10 0 CHAEHN Cc1ccsc1[C@H](N)Cc1nc2ccccc2s1 ZINC000020428136 171193579 /nfs/dbraw/zinc/19/35/79/171193579.db2.gz ZYZDUPROTOMSPQ-SNVBAGLBSA-N 0 3 274.414 3.909 10 0 CHAEHN N[C@H](Cc1ccccn1)c1cc(Cl)ccc1Cl ZINC000020429056 171194314 /nfs/dbraw/zinc/19/43/14/171194314.db2.gz PMWGNZVFAXRYBH-CYBMUJFWSA-N 0 3 267.159 3.631 10 0 CHAEHN COc1ccc(F)cc1[C@H](N)c1cccc(Cl)c1 ZINC000020470552 171212261 /nfs/dbraw/zinc/21/22/61/171212261.db2.gz LLIIWLPPLUEHSB-CQSZACIVSA-N 0 3 265.715 3.536 10 0 CHAEHN COc1ccc([C@@H](N)c2cccc(F)c2)cc1Cl ZINC000020521864 171235148 /nfs/dbraw/zinc/23/51/48/171235148.db2.gz CNUGUJSTNMVRBL-AWEZNQCLSA-N 0 3 265.715 3.536 10 0 CHAEHN N[C@H]1c2ccccc2C[C@H]1Oc1ccccc1C(F)(F)F ZINC000020563856 171253216 /nfs/dbraw/zinc/25/32/16/171253216.db2.gz HAGRLYNELFYYBN-CABCVRRESA-N 0 3 293.288 3.709 10 0 CHAEHN C[C@@H]1CCC[C@H](NCc2c(F)cccc2F)[C@@H]1C ZINC000020565011 171253531 /nfs/dbraw/zinc/25/35/31/171253531.db2.gz VTEZYVFOBPZBAZ-HFAKWTLXSA-N 0 3 253.336 3.879 10 0 CHAEHN COc1ccc(Br)cc1[C@@H](N)CC(C)(C)C ZINC000020586729 171259512 /nfs/dbraw/zinc/25/95/12/171259512.db2.gz LFNJAWYKUMOEBT-NSHDSACASA-N 0 3 286.213 3.894 10 0 CHAEHN Fc1ccc(F)c(N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000020595813 171264567 /nfs/dbraw/zinc/26/45/67/171264567.db2.gz GYPVGTMBDJIEDY-OAHLLOKOSA-N 0 3 288.341 3.651 10 0 CHAEHN Cc1n[nH]c(CCCN2CCCC[C@H]2c2cccnc2)c1C ZINC000020868212 171276879 /nfs/dbraw/zinc/27/68/79/171276879.db2.gz BNNFWJNVWXBBIK-SFHVURJKSA-N 0 3 298.434 3.581 10 0 CHAEHN Cc1[nH]nc(CCCN2CCCC[C@H]2c2cccnc2)c1C ZINC000020868212 171276881 /nfs/dbraw/zinc/27/68/81/171276881.db2.gz BNNFWJNVWXBBIK-SFHVURJKSA-N 0 3 298.434 3.581 10 0 CHAEHN Cc1ccc([C@H](N)COc2ccc(C)cc2C)cc1 ZINC000021010806 171286723 /nfs/dbraw/zinc/28/67/23/171286723.db2.gz VKDGLJLGIKXZLF-MRXNPFEDSA-N 0 3 255.361 3.691 10 0 CHAEHN Cc1ccc([C@@H](N)COc2ccc(C)cc2C)cc1 ZINC000021010805 171286796 /nfs/dbraw/zinc/28/67/96/171286796.db2.gz VKDGLJLGIKXZLF-INIZCTEOSA-N 0 3 255.361 3.691 10 0 CHAEHN CC[C@@H]1CCCC[C@H]1OC[C@@H](N)c1cc(C)ccc1OC ZINC000021030139 171291548 /nfs/dbraw/zinc/29/15/48/171291548.db2.gz GORSDKLCBNDMHW-DJIMGWMZSA-N 0 3 291.435 3.989 10 0 CHAEHN CCc1ccc([C@@H](N)COC2CCC(C)CC2)cc1 ZINC000021500661 171304994 /nfs/dbraw/zinc/30/49/94/171304994.db2.gz IPARDVCTONVBGP-IMRCBTMISA-N 0 3 261.409 3.844 10 0 CHAEHN COc1cccc(OC[C@H](N)c2c(C)cc(C)cc2C)c1 ZINC000021507159 171308474 /nfs/dbraw/zinc/30/84/74/171308474.db2.gz VTVGOEFKPQOKCF-KRWDZBQOSA-N 0 3 285.387 3.699 10 0 CHAEHN CCOc1ccc([C@H](N)COc2c(C)cccc2C)cc1 ZINC000021515360 171311910 /nfs/dbraw/zinc/31/19/10/171311910.db2.gz RHWANFYKOGCORY-QGZVFWFLSA-N 0 3 285.387 3.781 10 0 CHAEHN C[C@H](N)c1cc(F)ccc1N1CCCCCCC1 ZINC000021518553 171314521 /nfs/dbraw/zinc/31/45/21/171314521.db2.gz NKQUCDWJBRVBCE-LBPRGKRZSA-N 0 3 250.361 3.616 10 0 CHAEHN CCc1ccc([C@H](N)COc2cc(C)ccc2C)cc1 ZINC000021518288 171314645 /nfs/dbraw/zinc/31/46/45/171314645.db2.gz MLFLUCJCZWFARZ-QGZVFWFLSA-N 0 3 269.388 3.945 10 0 CHAEHN CCc1ccc(OC[C@@H](N)c2cc(C)ccc2OC)cc1 ZINC000021817121 171332729 /nfs/dbraw/zinc/33/27/29/171332729.db2.gz MDIPTAIOCATRSP-QGZVFWFLSA-N 0 3 285.387 3.645 10 0 CHAEHN Cc1ccc(C(C)C)c(Oc2ccc(CN)cn2)c1 ZINC000022214582 171375114 /nfs/dbraw/zinc/37/51/14/171375114.db2.gz UYQKNSLWFLHYAG-UHFFFAOYSA-N 0 3 256.349 3.764 10 0 CHAEHN Cc1cc(C)cc(C(=O)Nc2ccccc2[C@@H](C)N)c1 ZINC000022222059 171378941 /nfs/dbraw/zinc/37/89/41/171378941.db2.gz NTTYAPHPQQRDPL-CYBMUJFWSA-N 0 3 268.360 3.575 10 0 CHAEHN N[C@H](COc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000022566188 171391819 /nfs/dbraw/zinc/39/18/19/171391819.db2.gz SGDJZOYTNGKMMR-CQSZACIVSA-N 0 3 281.277 3.784 10 0 CHAEHN Cc1ccc(CN[C@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC000035258121 172089746 /nfs/dbraw/zinc/08/97/46/172089746.db2.gz PEKMDTGHNUNXPU-RYUDHWBXSA-N 0 3 261.287 3.799 10 0 CHAEHN Cc1cc([C@@H](N)c2ccc(Br)cc2)c(C)o1 ZINC000035379584 172162106 /nfs/dbraw/zinc/16/21/06/172162106.db2.gz MCZSENRCCAQPCC-ZDUSSCGKSA-N 0 3 280.165 3.707 10 0 CHAEHN COc1ccc([C@H](N)c2ccsc2)cc1Br ZINC000035381635 172164321 /nfs/dbraw/zinc/16/43/21/172164321.db2.gz ALRKMDCGUZXLHI-LBPRGKRZSA-N 0 3 298.205 3.567 10 0 CHAEHN COc1ccc([C@@H](N)c2ccc(C)s2)cc1Cl ZINC000035381594 172164707 /nfs/dbraw/zinc/16/47/07/172164707.db2.gz UECOMJGDVOUGAK-CYBMUJFWSA-N 0 3 267.781 3.767 10 0 CHAEHN C[C@H](N)c1ccc2ccccc2c1OCc1ccncc1 ZINC000035427359 172194541 /nfs/dbraw/zinc/19/45/41/172194541.db2.gz FRJFYXDSWUULFQ-ZDUSSCGKSA-N 0 3 278.355 3.834 10 0 CHAEHN C[C@@H](N)c1cc(F)ccc1O[C@H]1CCCC[C@H]1C ZINC000035438996 172202734 /nfs/dbraw/zinc/20/27/34/172202734.db2.gz KQYBBXHAZWCAGJ-GYSYKLTISA-N 0 3 251.345 3.803 10 0 CHAEHN CN[C@H](c1ccc(C)s1)c1cc2c(s1)CCC2 ZINC000035458693 172207857 /nfs/dbraw/zinc/20/78/57/172207857.db2.gz VJTPVNARISQNSE-CQSZACIVSA-N 0 3 263.431 3.916 10 0 CHAEHN CN[C@H](c1ccccc1)c1cccc(OC(F)F)c1 ZINC000035464897 172212337 /nfs/dbraw/zinc/21/23/37/172212337.db2.gz CTOHBONHQDCUPV-CQSZACIVSA-N 0 3 263.287 3.597 10 0 CHAEHN CN[C@H](c1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC000035464587 172212573 /nfs/dbraw/zinc/21/25/73/172212573.db2.gz WOKSTEMOIUPVFG-OAHLLOKOSA-N 0 3 261.752 3.657 10 0 CHAEHN CCOc1ccc([C@@H](NC)c2cc(C)oc2C)cc1 ZINC000035466385 172213619 /nfs/dbraw/zinc/21/36/19/172213619.db2.gz CXCUDHVXSZWNBL-MRXNPFEDSA-N 0 3 259.349 3.604 10 0 CHAEHN CN[C@H](c1cccs1)c1ccc(Br)s1 ZINC000035487841 172223146 /nfs/dbraw/zinc/22/31/46/172223146.db2.gz UHQDETSLSDYDPJ-SNVBAGLBSA-N 0 3 288.235 3.881 10 0 CHAEHN CN[C@@H](c1sccc1C)c1ccc2c(c1)CCC2 ZINC000035496789 172230319 /nfs/dbraw/zinc/23/03/19/172230319.db2.gz UAASHBDFCPJOQJ-OAHLLOKOSA-N 0 3 257.402 3.854 10 0 CHAEHN CN[C@@H](c1ccc(Cl)s1)c1cc(OC)cc(OC)c1 ZINC000035498362 172231882 /nfs/dbraw/zinc/23/18/82/172231882.db2.gz VOGQUGPCNHLFHW-CQSZACIVSA-N 0 3 297.807 3.728 10 0 CHAEHN CN[C@H](c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000035498417 172232085 /nfs/dbraw/zinc/23/20/85/172232085.db2.gz XRUNOONDJVBDEI-LBPRGKRZSA-N 0 3 255.745 3.849 10 0 CHAEHN CN[C@H](c1cc(OC)c(OC)cc1Cl)C1CCCC1 ZINC000035501287 172235740 /nfs/dbraw/zinc/23/57/40/172235740.db2.gz IKCXHDIBYZSREB-HNNXBMFYSA-N 0 3 283.799 3.808 10 0 CHAEHN CN[C@@H](c1sccc1C)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035504385 172238155 /nfs/dbraw/zinc/23/81/55/172238155.db2.gz DIUBXBPLLQZGAH-IAQYHMDHSA-N 0 3 273.401 3.689 10 0 CHAEHN CCN[C@H](c1ccoc1)c1ccc(Br)cc1 ZINC000035538775 172245758 /nfs/dbraw/zinc/24/57/58/172245758.db2.gz LMEBVSCLZCVLID-ZDUSSCGKSA-N 0 3 280.165 3.741 10 0 CHAEHN CCN[C@H](c1ccc(C)cc1)c1ccccc1OC ZINC000035541111 172248139 /nfs/dbraw/zinc/24/81/39/172248139.db2.gz FLWVNPPRSLLPOG-QGZVFWFLSA-N 0 3 255.361 3.703 10 0 CHAEHN CCN[C@H](c1ccoc1C)c1ccc(OC)cc1C ZINC000035542994 172250617 /nfs/dbraw/zinc/25/06/17/172250617.db2.gz JXCDUXMMDBYIMA-INIZCTEOSA-N 0 3 259.349 3.604 10 0 CHAEHN CCN[C@H](c1cccs1)c1ccc(C)c(OC)c1 ZINC000035545434 172253381 /nfs/dbraw/zinc/25/33/81/172253381.db2.gz HQNDFFRUASMCJI-HNNXBMFYSA-N 0 3 261.390 3.764 10 0 CHAEHN CCN[C@@H](c1ccsc1)c1ccc2c(c1)CCC2 ZINC000035551177 172258685 /nfs/dbraw/zinc/25/86/85/172258685.db2.gz NRCKVHYSKBZMMZ-MRXNPFEDSA-N 0 3 257.402 3.936 10 0 CHAEHN CCCN[C@@H](c1cccs1)c1ccccc1OC ZINC000035581276 172277354 /nfs/dbraw/zinc/27/73/54/172277354.db2.gz ODSYXCCHZCCTKA-OAHLLOKOSA-N 0 3 261.390 3.846 10 0 CHAEHN CCCN[C@H](CC(F)(F)F)c1ccc(F)c(F)c1 ZINC000035582510 172280011 /nfs/dbraw/zinc/28/00/11/172280011.db2.gz ADXZVAMOMPPZRI-LLVKDONJSA-N 0 3 267.241 3.958 10 0 CHAEHN CCCN[C@@H](c1ccoc1C)c1ccc(F)c(F)c1 ZINC000035582367 172280068 /nfs/dbraw/zinc/28/00/68/172280068.db2.gz INKDSGSQMUNZMA-OAHLLOKOSA-N 0 3 265.303 3.955 10 0 CHAEHN CCCN[C@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000035654193 172330761 /nfs/dbraw/zinc/33/07/61/172330761.db2.gz FHYKLOOAVBLJCA-NSHDSACASA-N 0 3 260.164 3.817 10 0 CHAEHN CC[C@H](C)Oc1c(Cl)cc(Cl)cc1CNC ZINC000035662020 172340430 /nfs/dbraw/zinc/34/04/30/172340430.db2.gz ITTSGYOLOPHOHO-QMMMGPOBSA-N 0 3 262.180 3.890 10 0 CHAEHN NCc1ccc(Oc2cc(Cl)ccc2Cl)nc1 ZINC000035719797 172373850 /nfs/dbraw/zinc/37/38/50/172373850.db2.gz SWEGSCOWDKXIGF-UHFFFAOYSA-N 0 3 269.131 3.639 10 0 CHAEHN NCc1ccc(Sc2cc(Cl)ccc2Cl)nc1 ZINC000035720057 172375057 /nfs/dbraw/zinc/37/50/57/172375057.db2.gz VXSHYFZSNTUFHI-UHFFFAOYSA-N 0 3 285.199 3.998 10 0 CHAEHN CCCCCN(C)c1cccc(F)c1[C@@H](C)NC ZINC000037171805 173005718 /nfs/dbraw/zinc/00/57/18/173005718.db2.gz FQANAHPAQROWBB-GFCCVEGCSA-N 0 3 252.377 3.733 10 0 CHAEHN Cc1nc2ccc(N[C@@H](C)c3scnc3C)cc2[nH]1 ZINC000037318381 173118266 /nfs/dbraw/zinc/11/82/66/173118266.db2.gz WGLNYKQBKQFVOK-VIFPVBQESA-N 0 3 272.377 3.809 10 0 CHAEHN CC(C)(C)c1nc2cc([C@H](N)c3ccccc3)ccc2[nH]1 ZINC000037368451 173157723 /nfs/dbraw/zinc/15/77/23/173157723.db2.gz MLVBAQBUPAPISG-MRXNPFEDSA-N 0 3 279.387 3.909 10 0 CHAEHN CC(C)(C)c1nc2ccc([C@H](N)c3ccccc3)cc2[nH]1 ZINC000037368451 173157725 /nfs/dbraw/zinc/15/77/25/173157725.db2.gz MLVBAQBUPAPISG-MRXNPFEDSA-N 0 3 279.387 3.909 10 0 CHAEHN CC[C@@H](C)[C@@H](N)c1nc2cc(F)ccc2n1C(C)C ZINC000037439742 173209378 /nfs/dbraw/zinc/20/93/78/173209378.db2.gz NZAYMQPRHSHBNT-QMTHXVAHSA-N 0 3 263.360 3.802 10 0 CHAEHN CCn1c2ccc(Cl)cc2nc1[C@@H](N)CC(C)C ZINC000037440345 173210283 /nfs/dbraw/zinc/21/02/83/173210283.db2.gz VYGTXPPJDBQVGY-NSHDSACASA-N 0 3 265.788 3.756 10 0 CHAEHN CN[C@H](Cc1cccc(Cl)c1)c1ccccc1OC ZINC000037532968 173253683 /nfs/dbraw/zinc/25/36/83/173253683.db2.gz MVHKXXIQPFGHOF-OAHLLOKOSA-N 0 3 275.779 3.852 10 0 CHAEHN CN[C@@H](Cc1cccc(Cl)c1)c1ccccc1OC ZINC000037532967 173253881 /nfs/dbraw/zinc/25/38/81/173253881.db2.gz MVHKXXIQPFGHOF-HNNXBMFYSA-N 0 3 275.779 3.852 10 0 CHAEHN N[C@@H](c1nc2c(cccc2Cl)[nH]1)C1CCCCC1 ZINC000038036854 174036718 /nfs/dbraw/zinc/03/67/18/174036718.db2.gz RXEGMXMDHHRNTP-GFCCVEGCSA-N 0 3 263.772 3.796 10 0 CHAEHN CCCN[C@@H](C)c1c(F)cccc1-n1cc(Cl)cn1 ZINC000038053658 174065033 /nfs/dbraw/zinc/06/50/33/174065033.db2.gz OQBRJXLKZITYHA-JTQLQIEISA-N 0 3 281.762 3.725 10 0 CHAEHN CCN[C@H](c1ccsc1)c1ccc2c(c1)CCCO2 ZINC000038058094 174068960 /nfs/dbraw/zinc/06/89/60/174068960.db2.gz FFPPGAYUWUIZCS-INIZCTEOSA-N 0 3 273.401 3.772 10 0 CHAEHN CCNCc1cc(-c2cccc(OC)c2)ccc1F ZINC000038071480 174082073 /nfs/dbraw/zinc/08/20/73/174082073.db2.gz JZEFKURJFJRHHZ-UHFFFAOYSA-N 0 3 259.324 3.611 10 0 CHAEHN Cc1ccc([C@@H](N)Cc2ccc(Br)cc2)o1 ZINC000038128460 174131359 /nfs/dbraw/zinc/13/13/59/174131359.db2.gz NNZBVRNZINAUAB-LBPRGKRZSA-N 0 3 280.165 3.593 10 0 CHAEHN N[C@@H](c1ccc(Br)s1)C1CCCC1 ZINC000040236147 174211894 /nfs/dbraw/zinc/21/18/94/174211894.db2.gz GNTYOYYVVGXVNR-SNVBAGLBSA-N 0 3 260.200 3.701 10 0 CHAEHN CN[C@H](C)c1cc(F)ccc1N(CC(C)C)C1CC1 ZINC000042557668 174794204 /nfs/dbraw/zinc/79/42/04/174794204.db2.gz FMQCADIUSBXWLL-GFCCVEGCSA-N 0 3 264.388 3.731 10 0 CHAEHN CCCNCc1nc2cc(Cl)ccc2n1CCC ZINC000044623906 175220840 /nfs/dbraw/zinc/22/08/40/175220840.db2.gz YLJSYSKYDRSSCN-UHFFFAOYSA-N 0 3 265.788 3.599 10 0 CHAEHN Cc1ccc(CNCc2cn(C)c3ccccc23)cc1 ZINC000045945044 175387512 /nfs/dbraw/zinc/38/75/12/175387512.db2.gz RTRFBZZVUADXBN-UHFFFAOYSA-N 0 3 264.372 3.777 10 0 CHAEHN C[C@H](N)c1csc(Cc2ccc(Br)cc2)n1 ZINC000070839958 176008331 /nfs/dbraw/zinc/00/83/31/176008331.db2.gz ISTPZTRXRQNKDM-QMMMGPOBSA-N 0 3 297.221 3.516 10 0 CHAEHN Cc1cccc2c(NC[C@@H](O)C3CCCC3)ccnc12 ZINC000301674155 227636857 /nfs/dbraw/zinc/63/68/57/227636857.db2.gz PDXIYIWQQNOFTA-MRXNPFEDSA-N 0 3 270.376 3.506 10 0 CHAEHN c1n[nH]cc1[C@@H]1CCCCN1CCCc1ccccc1 ZINC000114201744 228112581 /nfs/dbraw/zinc/11/25/81/228112581.db2.gz APXBUWWJOBXRSV-KRWDZBQOSA-N 0 3 269.392 3.570 10 0 CHAEHN CSCCCN[C@H](c1ccco1)c1ccccc1 ZINC000041635576 260184507 /nfs/dbraw/zinc/18/45/07/260184507.db2.gz ASSMLZAIOQQUMD-HNNXBMFYSA-N 0 3 261.390 3.712 10 0 CHAEHN Cc1nccc(CN[C@@H]2CCC[C@H](C(C)(C)C)CC2)n1 ZINC000086957339 260210929 /nfs/dbraw/zinc/21/09/29/260210929.db2.gz IKOGRBYWQCMSJJ-LSDHHAIUSA-N 0 3 275.440 3.870 10 0 CHAEHN CCCn1ccc(CNc2cccc(CN(C)C)c2)c1 ZINC000091010775 260264492 /nfs/dbraw/zinc/26/44/92/260264492.db2.gz CJZLINMELFYXLV-UHFFFAOYSA-N 0 3 271.408 3.572 10 0 CHAEHN CC[C@@H](N[C@H](C)c1ncc(Br)s1)C(C)C ZINC000126472617 260353415 /nfs/dbraw/zinc/35/34/15/260353415.db2.gz KQLPXUBASMZSJW-RKDXNWHRSA-N 0 3 291.258 3.991 10 0 CHAEHN Fc1ccc2c(c1)CC[C@H]2N[C@@H]1CCOc2ccccc21 ZINC000128476239 260374989 /nfs/dbraw/zinc/37/49/89/260374989.db2.gz XFINKCXLQONRPW-IAGOWNOFSA-N 0 3 283.346 3.926 10 0 CHAEHN C[C@@H]1C[C@@H]1c1ccc(CN2CCC(c3ccnn3C)CC2)o1 ZINC000092810438 260503077 /nfs/dbraw/zinc/50/30/77/260503077.db2.gz KYACFWISPJGTGL-CJNGLKHVSA-N 0 3 299.418 3.516 10 0 CHAEHN COc1ccccc1[C@@H](C)N[C@H](CN(C)C)c1ccccc1 ZINC000120421485 262194806 /nfs/dbraw/zinc/19/48/06/262194806.db2.gz ONIOWKCRVIAHAW-CRAIPNDOSA-N 0 3 298.430 3.649 10 0 CHAEHN Cc1cc(CN[C@H](C)COCc2ccccc2)cs1 ZINC000390577374 262221392 /nfs/dbraw/zinc/22/13/92/262221392.db2.gz XHRFJFYDKHIIOB-CYBMUJFWSA-N 0 3 275.417 3.751 10 0 CHAEHN CC(C)Oc1ccc(CN[C@@H](C)[C@H]2CCCO2)cc1Cl ZINC000188389988 262293686 /nfs/dbraw/zinc/29/36/86/262293686.db2.gz VLJBRBFRDCLLEE-SWLSCSKDSA-N 0 3 297.826 3.784 10 0 CHAEHN COc1cc(CN[C@H]2CCCc3sccc32)ccc1O ZINC000061330961 262394195 /nfs/dbraw/zinc/39/41/95/262394195.db2.gz XBPMDRDQSFDIKD-ZDUSSCGKSA-N 0 3 289.400 3.630 10 0 CHAEHN CC1(C)C[C@@H](NC[C@@H]2CCC=CO2)c2ccccc2O1 ZINC000188577146 264224215 /nfs/dbraw/zinc/22/42/15/264224215.db2.gz JNVMLJBPXNTYTN-DZGCQCFKSA-N 0 3 273.376 3.571 10 0 CHAEHN C[C@@H](N[C@H](C)c1cccc(CO)c1)c1cccs1 ZINC000179094937 327799182 /nfs/dbraw/zinc/79/91/82/327799182.db2.gz ZYYMHRJVDUBJFJ-VXGBXAGGSA-N 0 3 261.390 3.652 10 0 CHAEHN Cc1cccc(CNCc2ccnc3ccccc23)c1 ZINC000111763400 328377136 /nfs/dbraw/zinc/37/71/36/328377136.db2.gz APWXIWUCZXSQOA-UHFFFAOYSA-N 0 3 262.356 3.833 10 0 CHAEHN Fc1ccc(CNCc2ccnc3ccccc23)cc1 ZINC000111763214 328377186 /nfs/dbraw/zinc/37/71/86/328377186.db2.gz RRPDSCIAMNGCQV-UHFFFAOYSA-N 0 3 266.319 3.664 10 0 CHAEHN CSCCCN[C@@H]1CCOc2c(Cl)cccc21 ZINC000123615330 328454616 /nfs/dbraw/zinc/45/46/16/328454616.db2.gz XQQAXPXWANWJGQ-GFCCVEGCSA-N 0 3 271.813 3.506 10 0 CHAEHN C[C@H](N[C@@H]1CCCCC[C@H]1O)c1ccccc1Cl ZINC000148771048 327000221 /nfs/dbraw/zinc/00/02/21/327000221.db2.gz QKHACGMJYRFGAE-NILFDRSVSA-N 0 3 267.800 3.684 10 0 CHAEHN COCCC[C@H](C)N[C@H](c1ccccc1)c1cccnc1 ZINC000178612464 329201378 /nfs/dbraw/zinc/20/13/78/329201378.db2.gz VCRICXUQRSJHMC-MAUKXSAKSA-N 0 3 284.403 3.576 10 0 CHAEHN C[C@H](N[C@H]1C[C@H]1C)c1nc(-c2ccccc2)cs1 ZINC000178685196 329202145 /nfs/dbraw/zinc/20/21/45/329202145.db2.gz WCTVMPVGQWETLH-MDZLAQPJSA-N 0 3 258.390 3.869 10 0 CHAEHN Cc1ccc([C@@H]2CCCCN2Cc2ccc(CO)cc2)o1 ZINC000182808384 329242093 /nfs/dbraw/zinc/24/20/93/329242093.db2.gz RHVWQCWWOXCVHU-KRWDZBQOSA-N 0 3 285.387 3.808 10 0 CHAEHN CCC[C@@H]1C[C@@H]1NCc1cccc(F)c1Br ZINC000300382830 329266711 /nfs/dbraw/zinc/26/67/11/329266711.db2.gz KMUMOIVRAMEJEZ-SKDRFNHKSA-N 0 3 286.188 3.866 10 0 CHAEHN Cc1nc([C@H](N[C@H]2CCC23CCCC3)c2ccccc2)n[nH]1 ZINC000189108505 329377741 /nfs/dbraw/zinc/37/77/41/329377741.db2.gz PBOMRFGYESQBBH-JKSUJKDBSA-N 0 3 296.418 3.515 10 0 CHAEHN Cc1nc([C@@H](N[C@@H]2CCC23CCCC3)c2ccccc2)n[nH]1 ZINC000189108484 329378008 /nfs/dbraw/zinc/37/80/08/329378008.db2.gz PBOMRFGYESQBBH-CVEARBPZSA-N 0 3 296.418 3.515 10 0 CHAEHN CCO[C@@H]1C[C@@H](N[C@H](C)c2cncc(F)c2)C12CCCC2 ZINC000247239814 329877811 /nfs/dbraw/zinc/87/78/11/329877811.db2.gz XLEBZPRTJCFGFP-DAXOMENPSA-N 0 3 292.398 3.609 10 0 CHAEHN COc1ccccc1[C@H](C)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000044673980 330331571 /nfs/dbraw/zinc/33/15/71/330331571.db2.gz WMEQSYNCKCDHKB-IAOVAPTHSA-N 0 3 267.372 3.902 10 0 CHAEHN CC[C@H](C)[C@@H](C)N[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000089670587 330387007 /nfs/dbraw/zinc/38/70/07/330387007.db2.gz FIZNYGDWIBAFQG-DMDPSCGWSA-N 0 3 265.401 3.668 10 0 CHAEHN CCC[C@H](N[C@H]1CCCn2nc(C)nc21)C1CCCCC1 ZINC000090225251 330391595 /nfs/dbraw/zinc/39/15/95/330391595.db2.gz QNSYGDRTRUAAEE-HOTGVXAUSA-N 0 3 290.455 3.760 10 0 CHAEHN CCC[C@@H](N[C@@H]1CCCn2nc(C)nc21)C1CCCCC1 ZINC000090225249 330391639 /nfs/dbraw/zinc/39/16/39/330391639.db2.gz QNSYGDRTRUAAEE-HZPDHXFCSA-N 0 3 290.455 3.760 10 0 CHAEHN O[C@H]1CCCC[C@H]1CNCc1ccc(Cl)cc1Cl ZINC000085964160 330492847 /nfs/dbraw/zinc/49/28/47/330492847.db2.gz XNIBUTBQCSUTKW-FZMZJTMJSA-N 0 3 288.218 3.634 10 0 CHAEHN CCc1nc(C)c(CN[C@@H]2C[C@@H](C)CC(C)(C)C2)o1 ZINC000311801643 333072732 /nfs/dbraw/zinc/07/27/32/333072732.db2.gz UJHBQRXGXLURKY-DGCLKSJQSA-N 0 3 264.413 3.850 10 0 CHAEHN C[C@H](NC[C@@H]1CCCN1C)c1cccc(Cl)c1Cl ZINC000222693457 333198711 /nfs/dbraw/zinc/19/87/11/333198711.db2.gz JAMFZWRALFQZTC-QWRGUYRKSA-N 0 3 287.234 3.738 10 0 CHAEHN C[C@@H](NC[C@@H]1CCCN1C)c1ccc(Cl)cc1Cl ZINC000222698446 333199058 /nfs/dbraw/zinc/19/90/58/333199058.db2.gz HVHIIAVYYPLLGG-PWSUYJOCSA-N 0 3 287.234 3.738 10 0 CHAEHN Cn1cccc1CN[C@H]1c2ccccc2CCC1(C)C ZINC000131759865 333965820 /nfs/dbraw/zinc/96/58/20/333965820.db2.gz OHTFRIHCFHMWCO-KRWDZBQOSA-N 0 3 268.404 3.828 10 0 CHAEHN COc1cccc(F)c1[C@@H](C)NC[C@@H]1Cc2ccccc21 ZINC000135144536 334117577 /nfs/dbraw/zinc/11/75/77/334117577.db2.gz ZLNZIIFUROXOSS-OCCSQVGLSA-N 0 3 285.362 3.825 10 0 CHAEHN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccccn1)[C@H](C)C2 ZINC000248419207 334301068 /nfs/dbraw/zinc/30/10/68/334301068.db2.gz USDZLMRQSONSDQ-HBUWYVDXSA-N 0 3 266.388 3.974 10 0 CHAEHN CCn1nc(C)c([C@H](C)N[C@@H]2CC23CCCC3)c1C ZINC000387162308 336186910 /nfs/dbraw/zinc/18/69/10/336186910.db2.gz RIVAYRZPHKIBOE-SMDDNHRTSA-N 0 3 261.413 3.503 10 0 CHAEHN CCCNCc1ccoc1COCCCC(C)C ZINC000052630218 519959219 /nfs/dbraw/zinc/95/92/19/519959219.db2.gz PTWKZBZCJSFKKK-UHFFFAOYSA-N 0 3 253.386 3.732 10 0 CHAEHN CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000055225553 522344325 /nfs/dbraw/zinc/34/43/25/522344325.db2.gz NAYHODBKFBKXIU-VIFPVBQESA-N 0 3 271.204 3.918 10 0 CHAEHN CN[C@@H](CC1CCOCC1)c1ccc(Cl)cc1F ZINC000062786300 522344383 /nfs/dbraw/zinc/34/43/83/522344383.db2.gz FQDPCDKEYVCESW-AWEZNQCLSA-N 0 3 271.763 3.556 10 0 CHAEHN C[C@@H]1C[C@H]1NCc1cc(Br)c(Cl)s1 ZINC000191694585 534044196 /nfs/dbraw/zinc/04/41/96/534044196.db2.gz VIDUDMRWXHNQOD-SVGQVSJJSA-N 0 3 280.618 3.662 10 0 CHAEHN CCOc1ccc(O[C@H](CN)c2cccc(Cl)c2)cc1 ZINC000019671268 517732744 /nfs/dbraw/zinc/73/27/44/517732744.db2.gz GKVALFLJSXQGTP-MRXNPFEDSA-N 0 3 291.778 3.818 10 0 CHAEHN NCc1ccc(Br)cc1N1CCCCCCC1 ZINC000036670687 518197480 /nfs/dbraw/zinc/19/74/80/518197480.db2.gz MUESFOOAHFELET-UHFFFAOYSA-N 0 3 297.240 3.678 10 0 CHAEHN CC(C)(C)[C@@H]1CCc2nc(C3(N)CCC3)sc2C1 ZINC000061713552 518947343 /nfs/dbraw/zinc/94/73/43/518947343.db2.gz IGLUTFUZKHECLU-SNVBAGLBSA-N 0 3 264.438 3.632 10 0 CHAEHN CC(C)[C@@H](C)NCC(=O)Nc1ccccc1-c1ccccc1 ZINC000016519081 519792378 /nfs/dbraw/zinc/79/23/78/519792378.db2.gz RAPARMNDAOGNHE-OAHLLOKOSA-N 0 3 296.414 3.926 10 0 CHAEHN CC(C)[C@H]1CCc2nc(C3(N)CCCC3)sc2C1 ZINC000054556866 519826048 /nfs/dbraw/zinc/82/60/48/519826048.db2.gz RARBIZVSLZBDON-NSHDSACASA-N 0 3 264.438 3.632 10 0 CHAEHN CCCCCN(c1ncc([C@@H](C)NC)s1)C(C)C ZINC000054908221 520177624 /nfs/dbraw/zinc/17/76/24/520177624.db2.gz RESPARUFERIRCP-GFCCVEGCSA-N 0 3 269.458 3.829 10 0 CHAEHN CCCOc1ccc([C@H](C)NCc2ccncc2)cc1 ZINC000020140115 520427932 /nfs/dbraw/zinc/42/79/32/520427932.db2.gz XDFZXYYTPJLXIB-AWEZNQCLSA-N 0 3 270.376 3.721 10 0 CHAEHN CCc1csc([C@H]2CCCN(C[C@@H]3CCC=CO3)C2)n1 ZINC000193845189 522116000 /nfs/dbraw/zinc/11/60/00/522116000.db2.gz CMKZRYGUMCGZDQ-ZFWWWQNUSA-N 0 3 292.448 3.578 10 0 CHAEHN Cc1cncc(-c2noc([C@H]3CCCN3C3CCCC3)n2)c1 ZINC000333474662 534670159 /nfs/dbraw/zinc/67/01/59/534670159.db2.gz RSIIOILJTMMLBP-OAHLLOKOSA-N 0 3 298.390 3.520 10 0 CHAEHN COc1ccc(C)cc1[C@H](N)Cc1cccc(Cl)c1 ZINC000052944559 523860225 /nfs/dbraw/zinc/86/02/25/523860225.db2.gz LWGVTBXMRHWMNW-OAHLLOKOSA-N 0 3 275.779 3.900 10 0 CHAEHN CO[C@H]1CCC[C@@H]1N[C@@H](C)c1ccccc1Br ZINC000050369708 523981300 /nfs/dbraw/zinc/98/13/00/523981300.db2.gz ABDZHRKOSTWKHN-BPNCWPANSA-N 0 3 298.224 3.667 10 0 CHAEHN Cc1cccc(N(C)c2ccc(F)cc2[C@H](C)N)c1 ZINC000049987276 524521544 /nfs/dbraw/zinc/52/15/44/524521544.db2.gz FODMYDPRMWWNBU-LBPRGKRZSA-N 0 3 258.340 3.922 10 0 CHAEHN Cc1ccccc1[C@@H](C)N1CCC[C@@H]1c1cnn(C)c1 ZINC000127663101 525349201 /nfs/dbraw/zinc/34/92/01/525349201.db2.gz HNMMPYQPNAVCSN-RHSMWYFYSA-N 0 3 269.392 3.627 10 0 CHAEHN Cc1cc(OCc2occc2CN)ccc1C(C)C ZINC000052663288 525375436 /nfs/dbraw/zinc/37/54/36/525375436.db2.gz SWSVODBVTAUNDS-UHFFFAOYSA-N 0 3 259.349 3.749 10 0 CHAEHN C[C@H](N[C@@H]1C[C@H](C)Sc2sccc21)[C@@H]1CCCO1 ZINC000130318206 525587782 /nfs/dbraw/zinc/58/77/82/525587782.db2.gz OTUBDSCDFPYMEV-DJIHRAIXSA-N 0 3 283.462 3.831 10 0 CHAEHN C[C@H](N[C@H]1CCCCC[C@@H]1O)c1ccccc1Cl ZINC000049508661 525605238 /nfs/dbraw/zinc/60/52/38/525605238.db2.gz QKHACGMJYRFGAE-CQDKDKBSSA-N 0 3 267.800 3.684 10 0 CHAEHN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(Cl)cc1N ZINC000050563279 525641351 /nfs/dbraw/zinc/64/13/51/525641351.db2.gz AOFFYUCPGFUYND-WDEREUQCSA-N 0 3 252.789 3.543 10 0 CHAEHN Cc1oc(CNC(C)(C)C)cc1COCC(F)(F)F ZINC000052601674 526774954 /nfs/dbraw/zinc/77/49/54/526774954.db2.gz VEKVXUYQJDZDCT-UHFFFAOYSA-N 0 3 279.302 3.555 10 0 CHAEHN N[C@@H](c1ccccc1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000054682000 527338645 /nfs/dbraw/zinc/33/86/45/527338645.db2.gz XCSGDKTTZXDNCM-UONOGXRCSA-N 0 3 282.170 3.727 10 0 CHAEHN N[C@@H](c1ccccc1)c1ccccc1OC(F)(F)F ZINC000055206054 527338938 /nfs/dbraw/zinc/33/89/38/527338938.db2.gz JPQLKGFRFAHSKP-ZDUSSCGKSA-N 0 3 267.250 3.633 10 0 CHAEHN N[C@H](Cc1ccc(Cl)cc1Cl)c1cncc(F)c1 ZINC000049576232 527388316 /nfs/dbraw/zinc/38/83/16/527388316.db2.gz LSUNWECATMNCGQ-CYBMUJFWSA-N 0 3 285.149 3.770 10 0 CHAEHN CCOC[C@@H]1CCCN(c2ccnc3c(C)cccc23)C1 ZINC000301692255 528925848 /nfs/dbraw/zinc/92/58/48/528925848.db2.gz XDWRUFDYTLJDDC-OAHLLOKOSA-N 0 3 284.403 3.796 10 0 CHAEHN C[C@H]1CCC[C@H](C)N1Cc1cc(N)ccc1Br ZINC000128346278 567034499 /nfs/dbraw/zinc/03/44/99/567034499.db2.gz ZOFMEQCFXWRAIX-QWRGUYRKSA-N 0 3 297.240 3.794 10 0 CHAEHN CCC[C@H](N)c1cc2c(cccc2Br)o1 ZINC000675081164 567028445 /nfs/dbraw/zinc/02/84/45/567028445.db2.gz KLOKOOHVFOETIP-JTQLQIEISA-N 0 3 268.154 3.995 10 0 CHAEHN Brc1ccc([C@H]2NCCc3ccsc32)cc1 ZINC000084704880 567033400 /nfs/dbraw/zinc/03/34/00/567033400.db2.gz DPLDMXAQACEFEH-GFCCVEGCSA-N 0 3 294.217 3.746 10 0 CHAEHN CC(C)c1cnc(CNC[C@H]2CCO[C@@H]2C(C)(C)C)s1 ZINC000189234808 567938997 /nfs/dbraw/zinc/93/89/97/567938997.db2.gz YVVYQMBCYWZDTB-DOMZBBRYSA-N 0 3 296.480 3.807 10 0 CHAEHN CC[C@H](C)[C@H](C)N(CC(=O)Nc1ccccc1F)C1CC1 ZINC000104967790 1125456886 /nfs/dbraw/zinc/45/68/86/1125456886.db2.gz WLTPXJDQSDRYRE-STQMWFEESA-N 0 3 292.398 3.663 10 0 CHAEHN CCCc1nc(CSCC)sc1CNC(C)C ZINC000082427774 178003804 /nfs/dbraw/zinc/00/38/04/178003804.db2.gz KKVMPHBUHDKHED-UHFFFAOYSA-N 0 3 272.483 3.847 10 0 CHAEHN CCc1ccc(-c2nc(C(C)C)c(CN)s2)cc1 ZINC000082431305 178008880 /nfs/dbraw/zinc/00/88/80/178008880.db2.gz QMEZFTCKXQKAAC-UHFFFAOYSA-N 0 3 260.406 3.955 10 0 CHAEHN Cc1ccc(-c2nc(C(C)(C)C)c(CN)s2)cc1 ZINC000082439100 178017329 /nfs/dbraw/zinc/01/73/29/178017329.db2.gz LGSUQZMHXHQYAM-UHFFFAOYSA-N 0 3 260.406 3.875 10 0 CHAEHN COc1cccc(-c2nc(C(C)(C)C)c(CN)s2)c1 ZINC000082440456 178018648 /nfs/dbraw/zinc/01/86/48/178018648.db2.gz FPPUSBDHFFGVTR-UHFFFAOYSA-N 0 3 276.405 3.575 10 0 CHAEHN CNCc1sc(CCc2ccccc2)nc1C(C)(C)C ZINC000082441172 178020828 /nfs/dbraw/zinc/02/08/28/178020828.db2.gz GIAJUDGPLQPCNM-UHFFFAOYSA-N 0 3 288.460 3.945 10 0 CHAEHN CC(C)(C)c1nc(CCc2ccccc2)sc1CN ZINC000082441179 178021348 /nfs/dbraw/zinc/02/13/48/178021348.db2.gz UQRWOARLOBKRFA-UHFFFAOYSA-N 0 3 274.433 3.685 10 0 CHAEHN O=C1CCC2(C(F)(F)F)Nc3cccc4cccc(c43)N12 ZINC000095930716 185032975 /nfs/dbraw/zinc/03/29/75/185032975.db2.gz CUUSAWIUVMOJTD-AWEZNQCLSA-N 0 3 292.260 3.651 10 0 CHAEHN CC(C)C[C@H]1NCCc2c(Br)cc(F)cc21 ZINC000096807699 185114549 /nfs/dbraw/zinc/11/45/49/185114549.db2.gz ULDXHMTYDFDEEG-CYBMUJFWSA-N 0 3 286.188 3.821 10 0 CHAEHN CC(C)C[C@H]1NCCc2c(Br)ccc(F)c21 ZINC000096806118 185115028 /nfs/dbraw/zinc/11/50/28/185115028.db2.gz BIVCPWUFDPHNNB-GFCCVEGCSA-N 0 3 286.188 3.821 10 0 CHAEHN C[C@@H](N)c1cc2cc(Br)ccc2s1 ZINC000096884425 185120540 /nfs/dbraw/zinc/12/05/40/185120540.db2.gz FUZDIERRTHIWJD-ZCFIWIBFSA-N 0 3 256.168 3.684 10 0 CHAEHN C[C@H](N)c1cc2cc(Br)ccc2s1 ZINC000096884424 185120689 /nfs/dbraw/zinc/12/06/89/185120689.db2.gz FUZDIERRTHIWJD-LURJTMIESA-N 0 3 256.168 3.684 10 0 CHAEHN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](CC)C1CCCCC1 ZINC000167881090 529750093 /nfs/dbraw/zinc/75/00/93/529750093.db2.gz YNGBEBLENMRZGC-GJZGRUSLSA-N 0 3 290.455 3.624 10 0 CHAEHN CCc1nc2n(n1)CCC[C@H]2N[C@@H](CC)C1CCCCC1 ZINC000167881214 529750611 /nfs/dbraw/zinc/75/06/11/529750611.db2.gz YNGBEBLENMRZGC-LSDHHAIUSA-N 0 3 290.455 3.624 10 0 CHAEHN CCCNCc1c(Cl)cccc1Sc1ncccn1 ZINC000104291935 185956809 /nfs/dbraw/zinc/95/68/09/185956809.db2.gz IPEBBIBCUQDXOU-UHFFFAOYSA-N 0 3 293.823 3.781 10 0 CHAEHN FC(F)(F)c1ccc([C@@H]2NCCc3ccccc32)cc1 ZINC000019726649 170845568 /nfs/dbraw/zinc/84/55/68/170845568.db2.gz YPHQWGSEPCKQEG-HNNXBMFYSA-N 0 3 277.289 3.941 10 0 CHAEHN C[C@@H](N)c1c(F)cccc1O[C@@H](C)c1ccccc1 ZINC000019873209 170902462 /nfs/dbraw/zinc/90/24/62/170902462.db2.gz KURSOFWORSAFIJ-NEPJUHHUSA-N 0 3 259.324 3.985 10 0 CHAEHN Cc1ccc([C@H](C)N[C@H](CN(C)C)c2ccccc2)o1 ZINC000020129381 171016980 /nfs/dbraw/zinc/01/69/80/171016980.db2.gz QLXXLFYRPMZDCK-GOEBONIOSA-N 0 3 272.392 3.542 10 0 CHAEHN CN(C)C[C@@H](N[C@H]1CCc2ccccc21)c1ccccc1 ZINC000020129376 171017000 /nfs/dbraw/zinc/01/70/00/171017000.db2.gz LYZGRXOZMSWMMN-RBUKOAKNSA-N 0 3 280.415 3.566 10 0 CHAEHN Cc1ccc([C@@H](C)N[C@H](CN(C)C)c2ccccc2)cc1 ZINC000020129318 171017008 /nfs/dbraw/zinc/01/70/08/171017008.db2.gz ZMXCYJBMIORERI-VQIMIIECSA-N 0 3 282.431 3.949 10 0 CHAEHN C[C@H](N[C@H](CN(C)C)c1ccccc1)c1ccccc1 ZINC000020129311 171017333 /nfs/dbraw/zinc/01/73/33/171017333.db2.gz MEBXHYYUBTYHNN-MAUKXSAKSA-N 0 3 268.404 3.640 10 0 CHAEHN COc1cc([C@H](C)N[C@@H](C)c2cccs2)ccc1O ZINC000020148403 171035897 /nfs/dbraw/zinc/03/58/97/171035897.db2.gz NFHNDZLHZPBHDM-QWRGUYRKSA-N 0 3 277.389 3.874 10 0 CHAEHN COc1ccc(-c2nc(-c3ccccc3)c(CN)s2)cc1 ZINC000020184392 171047433 /nfs/dbraw/zinc/04/74/33/171047433.db2.gz YJOVEYOOKPATDS-UHFFFAOYSA-N 0 3 296.395 3.944 10 0 CHAEHN CN(CCc1ccccc1)[C@H](CN)c1ccccc1Cl ZINC000020225937 171090214 /nfs/dbraw/zinc/09/02/14/171090214.db2.gz ASWNCNDRUVFKJW-QGZVFWFLSA-N 0 3 288.822 3.514 10 0 CHAEHN CN(CC(C)(C)C)[C@H](CN)c1cccc(Cl)c1Cl ZINC000020226735 171090911 /nfs/dbraw/zinc/09/09/11/171090911.db2.gz QFCJYAJXHNTWKO-GFCCVEGCSA-N 0 3 289.250 3.971 10 0 CHAEHN Cc1noc(C)c1CN[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020252834 171105156 /nfs/dbraw/zinc/10/51/56/171105156.db2.gz BPZZOKYSMDJUMC-ZZFFKQLHSA-N 0 3 288.435 3.986 10 0 CHAEHN Cc1ccc(CN(C)Cc2ccc(C)c(N)c2)cc1 ZINC000020264716 171122071 /nfs/dbraw/zinc/12/20/71/171122071.db2.gz PQDFOFQATXCSLB-UHFFFAOYSA-N 0 3 254.377 3.518 10 0 CHAEHN Cc1cc([C@H](C)N[C@@H](CN(C)C)c2ccccc2)c(C)o1 ZINC000020438930 171202801 /nfs/dbraw/zinc/20/28/01/171202801.db2.gz HZKCXSHVORZRFB-KSSFIOAISA-N 0 3 286.419 3.850 10 0 CHAEHN NCc1ccccc1Oc1ccc(Br)cc1F ZINC000020474062 171218074 /nfs/dbraw/zinc/21/80/74/171218074.db2.gz FPIIJQHMPRAHGA-UHFFFAOYSA-N 0 3 296.139 3.839 10 0 CHAEHN CC(C)(C)OC[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000020510878 171230282 /nfs/dbraw/zinc/23/02/82/171230282.db2.gz YEZUVXYIRVRQLF-NSHDSACASA-N 0 3 261.287 3.520 10 0 CHAEHN Cc1ccc(C)c([C@H](N)COC2CCC(C)CC2)c1 ZINC000020545762 171243803 /nfs/dbraw/zinc/24/38/03/171243803.db2.gz JXASISHEAKLKHP-MWHAMWOXSA-N 0 3 261.409 3.899 10 0 CHAEHN CCc1ccc([C@H](N)COc2ccc(C)c(C)c2)cc1 ZINC000020546500 171244000 /nfs/dbraw/zinc/24/40/00/171244000.db2.gz YWOTVPLHHNYNRH-GOSISDBHSA-N 0 3 269.388 3.945 10 0 CHAEHN CCOc1ccc(OC[C@H](N)c2ccc(C)cc2C)cc1 ZINC000020562009 171252164 /nfs/dbraw/zinc/25/21/64/171252164.db2.gz RCOWMWKRHXSILL-SFHVURJKSA-N 0 3 285.387 3.781 10 0 CHAEHN Nc1cnccc1Nc1cccc(Cl)c1Cl ZINC000020585775 171259069 /nfs/dbraw/zinc/25/90/69/171259069.db2.gz QHMRGWHBEOFPOK-UHFFFAOYSA-N 0 3 254.120 3.714 10 0 CHAEHN Fc1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000020595831 171264484 /nfs/dbraw/zinc/26/44/84/171264484.db2.gz CPLNWYFTZHJHNZ-OAHLLOKOSA-N 0 3 288.341 3.651 10 0 CHAEHN CC[C@H]1NCc2c3c(sc2-n2cccc21)CCCC3 ZINC000020864957 171276908 /nfs/dbraw/zinc/27/69/08/171276908.db2.gz BOVOQZHMPKTVBK-CYBMUJFWSA-N 0 3 272.417 3.972 10 0 CHAEHN CC[C@@H](Oc1ccc(C)cc1)[C@@H](N)c1ccccc1 ZINC000021013110 171288481 /nfs/dbraw/zinc/28/84/81/171288481.db2.gz YFXWRBCYRWMRCS-SJORKVTESA-N 0 3 255.361 3.852 10 0 CHAEHN Cc1cc(C)c([C@@H](N)COc2ccc(F)cc2F)c(C)c1 ZINC000021022766 171290747 /nfs/dbraw/zinc/29/07/47/171290747.db2.gz RJFFKOQXKMPDBA-HNNXBMFYSA-N 0 3 291.341 3.969 10 0 CHAEHN CC[C@@H]1CCCC[C@@H]1OC[C@@H](N)c1cc(C)ccc1OC ZINC000021030124 171291664 /nfs/dbraw/zinc/29/16/64/171291664.db2.gz GORSDKLCBNDMHW-OIISXLGYSA-N 0 3 291.435 3.989 10 0 CHAEHN Cc1ccc(CN(C)c2cccc(F)c2[C@@H](C)N)cc1 ZINC000021508449 171309006 /nfs/dbraw/zinc/30/90/06/171309006.db2.gz MNBBLFAUFWGEPB-CYBMUJFWSA-N 0 3 272.367 3.790 10 0 CHAEHN CCc1ccc([C@H](N)COc2cccc(C)c2C)cc1 ZINC000021512563 171311043 /nfs/dbraw/zinc/31/10/43/171311043.db2.gz BYZNDMHYQVTAKY-QGZVFWFLSA-N 0 3 269.388 3.945 10 0 CHAEHN Cc1cccc(OC[C@H](N)c2cc(C)ccc2C)c1 ZINC000021520975 171316195 /nfs/dbraw/zinc/31/61/95/171316195.db2.gz MCHQCFDPPIWSHK-KRWDZBQOSA-N 0 3 255.361 3.691 10 0 CHAEHN N[C@@H]1c2ccccc2CCC[C@@H]1Oc1ccccc1F ZINC000022566160 171391729 /nfs/dbraw/zinc/39/17/29/171391729.db2.gz BCSDTOLODYHELK-DLBZAZTESA-N 0 3 271.335 3.609 10 0 CHAEHN Cc1ccc([C@H](N)[C@@H](C)Oc2ccccc2F)cc1 ZINC000022564831 171391776 /nfs/dbraw/zinc/39/17/76/171391776.db2.gz WVEDLAYFARMKEF-MLGOLLRUSA-N 0 3 259.324 3.601 10 0 CHAEHN C[C@H](NC1=N[C@H](C)CS1)C12CC3CC(CC(C3)C1)C2 ZINC000035294338 172106197 /nfs/dbraw/zinc/10/61/97/172106197.db2.gz ONPQBSUYNVVFAK-JDDJGOSBSA-N 0 3 278.465 3.672 10 0 CHAEHN CCOc1ccc([C@H](N)c2cc3c(s2)CCC3)cc1 ZINC000035379780 172161941 /nfs/dbraw/zinc/16/19/41/172161941.db2.gz UZLQXHZKSCZMMY-INIZCTEOSA-N 0 3 273.401 3.684 10 0 CHAEHN COc1ccc([C@H](N)c2cccs2)c2ccccc12 ZINC000035381828 172164515 /nfs/dbraw/zinc/16/45/15/172164515.db2.gz PGNJTMBFXDUWEK-INIZCTEOSA-N 0 3 269.369 3.958 10 0 CHAEHN CCCCCOc1c(CNCCC)cccc1OC ZINC000035413737 172186301 /nfs/dbraw/zinc/18/63/01/172186301.db2.gz BKCUIBZGEOKHLD-UHFFFAOYSA-N 0 3 265.397 3.764 10 0 CHAEHN CCc1ccc([C@H](NC)c2ccc(OC)cc2)s1 ZINC000035461078 172209908 /nfs/dbraw/zinc/20/99/08/172209908.db2.gz HFBSEYYTSVJKBY-OAHLLOKOSA-N 0 3 261.390 3.628 10 0 CHAEHN CN[C@H](c1ccc(F)cc1)c1cccc(Br)c1 ZINC000035463673 172211321 /nfs/dbraw/zinc/21/13/21/172211321.db2.gz IOSSSIVLVAXHSU-CQSZACIVSA-N 0 3 294.167 3.897 10 0 CHAEHN CN[C@H](c1cccc(OC)c1)c1ccc(C)cc1C ZINC000035468217 172216568 /nfs/dbraw/zinc/21/65/68/172216568.db2.gz NHNLVQQLVFWSHM-QGZVFWFLSA-N 0 3 255.361 3.621 10 0 CHAEHN CN[C@@H](c1sccc1C)c1ccc(OC)cc1C ZINC000035468324 172217336 /nfs/dbraw/zinc/21/73/36/172217336.db2.gz UKUHLKKKQZHZFT-CQSZACIVSA-N 0 3 261.390 3.682 10 0 CHAEHN CN[C@H](Cc1ccccc1F)c1ccc(F)c(F)c1 ZINC000035494709 172227752 /nfs/dbraw/zinc/22/77/52/172227752.db2.gz RXJSBPUGJMSUAK-OAHLLOKOSA-N 0 3 265.278 3.607 10 0 CHAEHN CCc1ccc([C@H](NC)c2ccc(F)c(F)c2)cc1 ZINC000035494440 172227819 /nfs/dbraw/zinc/22/78/19/172227819.db2.gz OMDVRALQXPRCCG-INIZCTEOSA-N 0 3 261.315 3.836 10 0 CHAEHN CN[C@H](c1cc(C)oc1C)c1ccc2c(c1)CCC2 ZINC000035496802 172230552 /nfs/dbraw/zinc/23/05/52/172230552.db2.gz AIZBTCBZOFTEOB-KRWDZBQOSA-N 0 3 255.361 3.694 10 0 CHAEHN CN[C@H](c1cc(C)sc1C)c1cc(F)cc(F)c1 ZINC000035497653 172231291 /nfs/dbraw/zinc/23/12/91/172231291.db2.gz MCKUUOXSQFDNDF-AWEZNQCLSA-N 0 3 267.344 3.952 10 0 CHAEHN CN[C@H](c1cc(C)sc1C)c1ccccc1OC ZINC000035497743 172231436 /nfs/dbraw/zinc/23/14/36/172231436.db2.gz QWIWLELYKDQRQD-HNNXBMFYSA-N 0 3 261.390 3.682 10 0 CHAEHN CCN[C@@H](c1ccco1)c1ccc2c(c1)CCCC2 ZINC000035510697 172242449 /nfs/dbraw/zinc/24/24/49/172242449.db2.gz LVDSTUUOWXREQA-QGZVFWFLSA-N 0 3 255.361 3.857 10 0 CHAEHN CCN[C@@H](c1ccsc1)c1ccc(OC)cc1C ZINC000035542958 172251194 /nfs/dbraw/zinc/25/11/94/172251194.db2.gz UDEJHEIHCHQLLF-HNNXBMFYSA-N 0 3 261.390 3.764 10 0 CHAEHN CCN[C@H](c1cc(OC)c(OC)cc1Cl)[C@H]1C[C@@H]1C ZINC000035557644 172263885 /nfs/dbraw/zinc/26/38/85/172263885.db2.gz VBWQQJLQWJWSAL-YHAQOWFVSA-N 0 3 283.799 3.664 10 0 CHAEHN CCCN[C@@H](c1c(F)cc(F)cc1F)[C@@H]1C[C@@H]1C ZINC000035580948 172276264 /nfs/dbraw/zinc/27/62/64/172276264.db2.gz UYYHSCWGAXIFFY-LLHLLMPMSA-N 0 3 257.299 3.801 10 0 CHAEHN CCCN[C@H](c1c(F)cc(F)cc1F)[C@@H]1C[C@@H]1C ZINC000035580949 172276350 /nfs/dbraw/zinc/27/63/50/172276350.db2.gz UYYHSCWGAXIFFY-HNXYLICVSA-N 0 3 257.299 3.801 10 0 CHAEHN CCCN[C@@H](c1c(F)cc(F)cc1F)C1CCC1 ZINC000035580943 172276759 /nfs/dbraw/zinc/27/67/59/172276759.db2.gz HFLSSOZFWYAMIP-CQSZACIVSA-N 0 3 257.299 3.945 10 0 CHAEHN CCCN[C@H](CC)c1cc2c(cc1Cl)OCCO2 ZINC000035584748 172284367 /nfs/dbraw/zinc/28/43/67/172284367.db2.gz QRFSHEYYUONFFP-GFCCVEGCSA-N 0 3 269.772 3.562 10 0 CHAEHN CC[C@H](NCCC(=O)OC)c1ccc(Cl)cc1Cl ZINC000035625525 172304723 /nfs/dbraw/zinc/30/47/23/172304723.db2.gz RYRJCSAXWKPCPP-LBPRGKRZSA-N 0 3 290.190 3.597 10 0 CHAEHN CC[C@@H](C)Oc1c(Cl)cc(Cl)cc1CNC ZINC000035662019 172340676 /nfs/dbraw/zinc/34/06/76/172340676.db2.gz ITTSGYOLOPHOHO-MRVPVSSYSA-N 0 3 262.180 3.890 10 0 CHAEHN CN(Cc1ccsc1)[C@@H](CN)c1ccc(Cl)s1 ZINC000035718958 172373005 /nfs/dbraw/zinc/37/30/05/172373005.db2.gz YWMQJSYFLXBCFU-JTQLQIEISA-N 0 3 286.853 3.595 10 0 CHAEHN COC(=O)C[C@H](C)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000035748228 172395907 /nfs/dbraw/zinc/39/59/07/172395907.db2.gz BLDPLKSTXQVLFK-DTWKUNHWSA-N 0 3 290.190 3.596 10 0 CHAEHN C[C@@H]1C[C@H](NC2CC2)c2cc3c(cc2S1)CCC3 ZINC000035761113 172399655 /nfs/dbraw/zinc/39/96/55/172399655.db2.gz OPIMRAVTYWZHSI-BMIGLBTASA-N 0 3 259.418 3.853 10 0 CHAEHN CCCN1CCC(O)(c2cccc(Cl)c2Cl)CC1 ZINC000035856506 172424259 /nfs/dbraw/zinc/42/42/59/172424259.db2.gz DAYTXUNUACNFMC-UHFFFAOYSA-N 0 3 288.218 3.687 10 0 CHAEHN CN(Cc1ccccc1)[C@@H](CN)c1ccc(Cl)s1 ZINC000036906830 172795347 /nfs/dbraw/zinc/79/53/47/172795347.db2.gz CAESJNXYVQEYLN-LBPRGKRZSA-N 0 3 280.824 3.533 10 0 CHAEHN Cc1nc2sccn2c1CN[C@H](C)c1ccccc1 ZINC000037185735 173017487 /nfs/dbraw/zinc/01/74/87/173017487.db2.gz YREQHXQRQDDKMM-LLVKDONJSA-N 0 3 271.389 3.555 10 0 CHAEHN CCc1ccc([C@@H](CC)NCc2ccccn2)cc1 ZINC000037223859 173045048 /nfs/dbraw/zinc/04/50/48/173045048.db2.gz NJQUOPYKCHAUIJ-QGZVFWFLSA-N 0 3 254.377 3.885 10 0 CHAEHN CNCc1cc(F)ccc1Oc1cc(C)cc(C)c1 ZINC000037237721 173055478 /nfs/dbraw/zinc/05/54/78/173055478.db2.gz DHPDKWDJQNZXLN-UHFFFAOYSA-N 0 3 259.324 3.954 10 0 CHAEHN CCCn1c2ccc(Cl)cc2nc1[C@@H](N)CC ZINC000037440520 173210481 /nfs/dbraw/zinc/21/04/81/173210481.db2.gz PKTRSSVUKGOQDO-JTQLQIEISA-N 0 3 251.761 3.510 10 0 CHAEHN CCCOc1cccc(CN[C@H](C)c2ccncc2)c1 ZINC000038038260 174038371 /nfs/dbraw/zinc/03/83/71/174038371.db2.gz OFBXNVNJIJBCCA-CQSZACIVSA-N 0 3 270.376 3.721 10 0 CHAEHN CCN[C@@H](c1ccsc1)c1ccc2c(c1)CCCO2 ZINC000038058095 174068989 /nfs/dbraw/zinc/06/89/89/174068989.db2.gz FFPPGAYUWUIZCS-MRXNPFEDSA-N 0 3 273.401 3.772 10 0 CHAEHN Fc1cccc(-c2ccc(F)c(CNC3CC3)c2)c1 ZINC000038071624 174082588 /nfs/dbraw/zinc/08/25/88/174082588.db2.gz UJYIEBRPWAKSAI-UHFFFAOYSA-N 0 3 259.299 3.884 10 0 CHAEHN CNCc1ccc(-c2c(F)cc(F)cc2F)cc1F ZINC000038072818 174083391 /nfs/dbraw/zinc/08/33/91/174083391.db2.gz QJMYOOZMJORZOP-UHFFFAOYSA-N 0 3 269.241 3.629 10 0 CHAEHN Cc1cc(C)cc(COc2ccc(Cl)cc2CN)c1 ZINC000038076673 174087472 /nfs/dbraw/zinc/08/74/72/174087472.db2.gz QJABYBCRAOBGTI-UHFFFAOYSA-N 0 3 275.779 3.995 10 0 CHAEHN C[C@@H](NC[C@H](C)N(C)C)c1c(Cl)ccc(F)c1Cl ZINC000038088303 174101695 /nfs/dbraw/zinc/10/16/95/174101695.db2.gz WMQZFELNNOMYDY-DTWKUNHWSA-N 0 3 293.213 3.733 10 0 CHAEHN COc1ccc([C@H](C)NCCCC(C)C)c(F)c1 ZINC000038093669 174107668 /nfs/dbraw/zinc/10/76/68/174107668.db2.gz DSRNEWVQYXNBFJ-LBPRGKRZSA-N 0 3 253.361 3.921 10 0 CHAEHN CC1CCN([C@H](CN)c2c(Cl)cccc2Cl)CC1 ZINC000039034756 174162064 /nfs/dbraw/zinc/16/20/64/174162064.db2.gz JHHWSXVMSJJLBI-CYBMUJFWSA-N 0 3 287.234 3.725 10 0 CHAEHN CC[C@H](C(=O)c1ccccc1)N(CC(C)C)C1CC1 ZINC000042558524 174794702 /nfs/dbraw/zinc/79/47/02/174794702.db2.gz UBEROUWRSROCRX-MRXNPFEDSA-N 0 3 259.393 3.768 10 0 CHAEHN N[C@H](c1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1 ZINC000043392096 175033996 /nfs/dbraw/zinc/03/39/96/175033996.db2.gz HQFNZJKNPVJFGL-CYBMUJFWSA-N 0 3 271.669 3.805 10 0 CHAEHN CCCOc1ccc2c(c1)OC(C)(C)C[C@H]2NCC ZINC000043460383 175050854 /nfs/dbraw/zinc/05/08/54/175050854.db2.gz GNCJSXOGZXWZKN-CQSZACIVSA-N 0 3 263.381 3.687 10 0 CHAEHN NCc1ccccc1OCc1sccc1Br ZINC000043674260 175087916 /nfs/dbraw/zinc/08/79/16/175087916.db2.gz GIMOSHGDJVCRKE-UHFFFAOYSA-N 0 3 298.205 3.548 10 0 CHAEHN CN[C@@H](C)c1csc(-c2ccc(Cl)cc2)n1 ZINC000070840791 176008393 /nfs/dbraw/zinc/00/83/93/176008393.db2.gz PSVHIUIWKDOPNA-QMMMGPOBSA-N 0 3 252.770 3.744 10 0 CHAEHN Brc1ccc2c(c1)CN[C@@H](c1ccccc1)C2 ZINC000071187280 176060839 /nfs/dbraw/zinc/06/08/39/176060839.db2.gz DGBNQVUWSKMOEJ-OAHLLOKOSA-N 0 3 288.188 3.836 10 0 CHAEHN CC(C)c1c(CN)cnn1-c1ccc(Cl)cc1Cl ZINC000071634536 176237904 /nfs/dbraw/zinc/23/79/04/176237904.db2.gz KINPZYMHLVXHCF-UHFFFAOYSA-N 0 3 284.190 3.761 10 0 CHAEHN COc1ccc2c(c1)C(C)(C)CN[C@@H]2c1ccc(F)cc1 ZINC000071642244 176238998 /nfs/dbraw/zinc/23/89/98/176238998.db2.gz YVPHGVTWFKBXOQ-QGZVFWFLSA-N 0 3 285.362 3.805 10 0 CHAEHN CCN(c1nc([C@H](C)N)cs1)c1cccc(C)c1 ZINC000076735268 177076073 /nfs/dbraw/zinc/07/60/73/177076073.db2.gz FSFHYNYLXOMWRI-NSHDSACASA-N 0 3 261.394 3.629 10 0 CHAEHN C[C@H](C(=O)Nc1cccc(Cl)c1)[C@H](N)c1ccccc1 ZINC000130058783 260392202 /nfs/dbraw/zinc/39/22/02/260392202.db2.gz YCGVQNKZECLDSJ-NHYWBVRUSA-N 0 3 288.778 3.615 10 0 CHAEHN C[C@@H](c1c(F)cccc1F)N1CCNCc2ccccc21 ZINC000062818194 327895575 /nfs/dbraw/zinc/89/55/75/327895575.db2.gz PKPLTRKRDOKDIS-LBPRGKRZSA-N 0 3 288.341 3.636 10 0 CHAEHN C[C@H](NCc1ccc(Oc2ccccc2)o1)[C@@H]1CCCO1 ZINC000180791844 329223126 /nfs/dbraw/zinc/22/31/26/329223126.db2.gz PBDBXPVVIIEXJP-BBRMVZONSA-N 0 3 287.359 3.729 10 0 CHAEHN COCc1cccc(CN[C@H]2CCOc3c(C)cccc32)c1 ZINC000188946628 329375802 /nfs/dbraw/zinc/37/58/02/329375802.db2.gz ANFMZOFMYAKRQH-SFHVURJKSA-N 0 3 297.398 3.755 10 0 CHAEHN Cc1ccc(CN2CCC(Nc3nccs3)CC2)cc1 ZINC000189958550 329390813 /nfs/dbraw/zinc/39/08/13/329390813.db2.gz QUYCVCYYCSLXNJ-UHFFFAOYSA-N 0 3 287.432 3.528 10 0 CHAEHN Cc1ccc([C@@H]2CCCCN2C[C@@H]2CC[C@H](C)O2)o1 ZINC000190598898 329398401 /nfs/dbraw/zinc/39/84/01/329398401.db2.gz QMQNEPPKLQXYOV-QEJZJMRPSA-N 0 3 263.381 3.683 10 0 CHAEHN CC[C@H](NCC(=O)Nc1ccccc1F)c1ccccc1 ZINC000051628097 329653200 /nfs/dbraw/zinc/65/32/00/329653200.db2.gz MFDJKYOELHZGHB-HNNXBMFYSA-N 0 3 286.350 3.505 10 0 CHAEHN Cc1ccc(N2CCC[C@@H](N[C@H](C)c3cccnc3)C2)cc1 ZINC000245596049 329712695 /nfs/dbraw/zinc/71/26/95/329712695.db2.gz IORXWPBXXJBDQW-SJLPKXTDSA-N 0 3 295.430 3.710 10 0 CHAEHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(F)c1F ZINC000248735400 329898219 /nfs/dbraw/zinc/89/82/19/329898219.db2.gz PONYPPKCIKAPLE-PBXWNFIWSA-N 0 3 293.357 3.573 10 0 CHAEHN CCCn1cc(CN[C@@H](C)c2ccc(CC)cc2)cn1 ZINC000116912107 330361367 /nfs/dbraw/zinc/36/13/67/330361367.db2.gz FNRGANUBEAAIDB-AWEZNQCLSA-N 0 3 271.408 3.706 10 0 CHAEHN CCn1c2ccccc2nc1[C@H](C)N[C@H](C)C1CCC1 ZINC000090037123 330390087 /nfs/dbraw/zinc/39/00/87/330390087.db2.gz DFFWCCJZJUUEOG-OLZOCXBDSA-N 0 3 271.408 3.895 10 0 CHAEHN CCC[C@@H](N[C@H]1CCCn2nc(C)nc21)C1CCCCC1 ZINC000090225253 330391589 /nfs/dbraw/zinc/39/15/89/330391589.db2.gz QNSYGDRTRUAAEE-CVEARBPZSA-N 0 3 290.455 3.760 10 0 CHAEHN CCCn1ccc(CNCc2ccc(Cl)cc2)c1 ZINC000091010016 330397801 /nfs/dbraw/zinc/39/78/01/330397801.db2.gz YYUQLFWCTAXTGI-UHFFFAOYSA-N 0 3 262.784 3.841 10 0 CHAEHN Fc1ccccc1CCN1CCC[C@H]1c1ccco1 ZINC000121381346 330399674 /nfs/dbraw/zinc/39/96/74/330399674.db2.gz WQQUHFNKAPLUTE-HNNXBMFYSA-N 0 3 259.324 3.798 10 0 CHAEHN C[C@@H](NC1CC(c2cccc(Cl)c2)C1)c1cnn(C)c1 ZINC000312307659 330462526 /nfs/dbraw/zinc/46/25/26/330462526.db2.gz YJINFIXKQYXWAQ-FFKNIBCLSA-N 0 3 289.810 3.670 10 0 CHAEHN C[C@H](CCCC(F)(F)F)N[C@@H]1COc2ccccc21 ZINC000163432670 331039108 /nfs/dbraw/zinc/03/91/08/331039108.db2.gz RRIFAOOAGSTDSR-ZYHUDNBSSA-N 0 3 273.298 3.831 10 0 CHAEHN CC[C@H](CCO)N[C@@H](c1ccccc1)c1ccccc1C ZINC000166093069 331306594 /nfs/dbraw/zinc/30/65/94/331306594.db2.gz BECVCGDBTLFJTQ-MJGOQNOKSA-N 0 3 283.415 3.835 10 0 CHAEHN Cc1ccccc1[C@H](NC[C@H](O)C(C)C)c1ccccc1 ZINC000166066186 331306656 /nfs/dbraw/zinc/30/66/56/331306656.db2.gz AJACNEGVBKVNRO-RBUKOAKNSA-N 0 3 283.415 3.691 10 0 CHAEHN COc1ccc(CN[C@@H](C)C(C)C)c(Br)c1 ZINC000304617941 332973170 /nfs/dbraw/zinc/97/31/70/332973170.db2.gz XALFFQLXPWPXBQ-JTQLQIEISA-N 0 3 286.213 3.592 10 0 CHAEHN COc1ccc([C@@H](C)N[C@@H](C)COCc2ccccc2)cc1 ZINC000178066022 333067371 /nfs/dbraw/zinc/06/73/71/333067371.db2.gz SEIFOEIVUDXLCY-JKSUJKDBSA-N 0 3 299.414 3.951 10 0 CHAEHN C[C@H](N[C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(Cl)s1 ZINC000089216109 333095706 /nfs/dbraw/zinc/09/57/06/333095706.db2.gz BKHMHNLXABAOHN-GARJFASQSA-N 0 3 284.856 3.677 10 0 CHAEHN OC[C@@H]1CCCC[C@H]1NCc1ccc(Cl)cc1Cl ZINC000219017366 333140372 /nfs/dbraw/zinc/14/03/72/333140372.db2.gz QBEUBUBNMFKNAG-SMDDNHRTSA-N 0 3 288.218 3.634 10 0 CHAEHN C[C@H](NC[C@@H]1CCCN1C)c1ccc(Cl)cc1Cl ZINC000222698515 333198954 /nfs/dbraw/zinc/19/89/54/333198954.db2.gz HVHIIAVYYPLLGG-JQWIXIFHSA-N 0 3 287.234 3.738 10 0 CHAEHN C[C@H](NCc1cc(F)c(F)cc1F)C1CCCC1 ZINC000225280379 333234466 /nfs/dbraw/zinc/23/44/66/333234466.db2.gz BPKGTLWACXPPFU-VIFPVBQESA-N 0 3 257.299 3.772 10 0 CHAEHN CCCn1cc(CN[C@H](C)c2ccc(C)cc2C)cn1 ZINC000227284470 333279604 /nfs/dbraw/zinc/27/96/04/333279604.db2.gz UURRSUQWFABGEB-OAHLLOKOSA-N 0 3 271.408 3.761 10 0 CHAEHN COC1CC(N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000230676043 333320491 /nfs/dbraw/zinc/32/04/91/333320491.db2.gz RMDRBNVKUZTAQU-MFAVDMRSSA-N 0 3 274.191 3.821 10 0 CHAEHN CCC[C@@H]1C[C@H]1NCc1ccccc1OC(F)F ZINC000231673909 333327379 /nfs/dbraw/zinc/32/73/79/333327379.db2.gz MKZOEMHWUNNMAU-ZYHUDNBSSA-N 0 3 255.308 3.566 10 0 CHAEHN C[C@@H](N[C@@H](C)c1cnc2ccsc2c1)[C@H]1CCCO1 ZINC000247033679 334274502 /nfs/dbraw/zinc/27/45/02/334274502.db2.gz VRJIBFZSOYLHRE-MISXGVKJSA-N 0 3 276.405 3.514 10 0 CHAEHN CN(CCN1CCC[C@H]1c1ccco1)c1ccccc1 ZINC000246741760 334268746 /nfs/dbraw/zinc/26/87/46/334268746.db2.gz YPBZYZTYQWKRTC-INIZCTEOSA-N 0 3 270.376 3.553 10 0 CHAEHN CC(C)(C)CCN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246756709 334269096 /nfs/dbraw/zinc/26/90/96/334269096.db2.gz QMSURONWMOBLBN-DOMZBBRYSA-N 0 3 283.362 3.509 10 0 CHAEHN O[C@@]12CCCC[C@H]1CN(Cc1cc(Cl)cs1)CC2 ZINC000248655550 334311401 /nfs/dbraw/zinc/31/14/01/334311401.db2.gz BSTAPPBOXYAJLZ-SMDDNHRTSA-N 0 3 285.840 3.529 10 0 CHAEHN Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@H](C)[C@H]1CCCO1 ZINC000249292901 334331656 /nfs/dbraw/zinc/33/16/56/334331656.db2.gz AVJPMLHONVZRAY-NTZNESFSSA-N 0 3 296.480 3.967 10 0 CHAEHN CCCNC(=O)CCN[C@@H](c1ccccc1Cl)C(C)C ZINC000091304354 334375774 /nfs/dbraw/zinc/37/57/74/334375774.db2.gz QFWBAVLWGAOTJA-MRXNPFEDSA-N 0 3 296.842 3.543 10 0 CHAEHN C[C@@H]1C[C@H]1N[C@H]1CCc2c1c(Br)ccc2F ZINC000252725593 334386682 /nfs/dbraw/zinc/38/66/82/334386682.db2.gz UWAGRUXSUKPGNX-VSYUYLJXSA-N 0 3 284.172 3.574 10 0 CHAEHN C[C@@H](NCC(C)(C)C(F)(F)F)c1cccs1 ZINC000309587226 334703706 /nfs/dbraw/zinc/70/37/06/334703706.db2.gz SIBADNWLVXTZFC-MRVPVSSYSA-N 0 3 251.317 3.987 10 0 CHAEHN CC(C)[C@@H](CN(C)C)N[C@H](C)c1ccccc1Cl ZINC000049195605 519793959 /nfs/dbraw/zinc/79/39/59/519793959.db2.gz CBLWCSKXTABELY-IUODEOHRSA-N 0 3 268.832 3.577 10 0 CHAEHN CC(C)C[C@H](C)N(C)c1ccc(Cl)cc1CN ZINC000052857448 519313904 /nfs/dbraw/zinc/31/39/04/519313904.db2.gz WOIVFIYRCNAXOC-NSHDSACASA-N 0 3 254.805 3.670 10 0 CHAEHN CC(C)C[C@H](CN(C)C)Nc1ncc(Cl)cc1Cl ZINC000049558264 519344888 /nfs/dbraw/zinc/34/48/88/519344888.db2.gz BLUIQZNQYGEKKF-LLVKDONJSA-N 0 3 290.238 3.777 10 0 CHAEHN CC(C)CN(CC(C)C)c1nc2c(s1)[C@H](N)CCC2 ZINC000054896488 519713525 /nfs/dbraw/zinc/71/35/25/519713525.db2.gz GBYLUTCXVPOSJZ-GFCCVEGCSA-N 0 3 281.469 3.598 10 0 CHAEHN CC(C)[C@H](CN(C)C)NCc1cccc(Cl)c1Cl ZINC000049196889 519814675 /nfs/dbraw/zinc/81/46/75/519814675.db2.gz AVDWUHBTPISYKB-ZDUSSCGKSA-N 0 3 289.250 3.669 10 0 CHAEHN CCCC1CCN([C@H](CN)c2cccc(Cl)c2)CC1 ZINC000050892969 519903460 /nfs/dbraw/zinc/90/34/60/519903460.db2.gz LITSRCTTWXGBMG-MRXNPFEDSA-N 0 3 280.843 3.852 10 0 CHAEHN CCNc1cc(C)nc2ccc(OC(F)(F)F)cc21 ZINC000050869788 520268990 /nfs/dbraw/zinc/26/89/90/520268990.db2.gz QLGBJYIIFOHVDO-UHFFFAOYSA-N 0 3 270.254 3.874 10 0 CHAEHN CCCC[C@@H](C)NC1=NC[C@H](c2ccccc2)S1 ZINC000050889889 521007119 /nfs/dbraw/zinc/00/71/19/521007119.db2.gz VWUJVHGVEGZHPZ-TZMCWYRMSA-N 0 3 262.422 3.999 10 0 CHAEHN CCC(CC)CN(CC)c1ncc([C@H](C)NC)s1 ZINC000054907623 521522345 /nfs/dbraw/zinc/52/23/45/521522345.db2.gz HYHHRLTUUVMOTG-NSHDSACASA-N 0 3 269.458 3.686 10 0 CHAEHN CNCc1sc(N2CCCC[C@H]2C)nc1C(C)(C)C ZINC000054995301 522167806 /nfs/dbraw/zinc/16/78/06/522167806.db2.gz DYXAOECGWSJKGL-LLVKDONJSA-N 0 3 281.469 3.539 10 0 CHAEHN CN[C@@H](C)c1ccc(-c2cccc3cccnc32)o1 ZINC000052924129 522329577 /nfs/dbraw/zinc/32/95/77/522329577.db2.gz CWDDCEPHKUNXFQ-NSHDSACASA-N 0 3 252.317 3.775 10 0 CHAEHN CN[C@@H](c1cc(C)oc1C)C1(c2ccccc2)CC1 ZINC000061617964 522364969 /nfs/dbraw/zinc/36/49/69/522364969.db2.gz PWZUVGVDTNLKTJ-INIZCTEOSA-N 0 3 255.361 3.889 10 0 CHAEHN CN[C@H](CC1CCOCC1)c1ccc(Cl)cc1F ZINC000062786301 522460173 /nfs/dbraw/zinc/46/01/73/522460173.db2.gz FQDPCDKEYVCESW-CQSZACIVSA-N 0 3 271.763 3.556 10 0 CHAEHN COc1cc(Cl)c(C)cc1N1CCCCC1=N ZINC000049583979 522509111 /nfs/dbraw/zinc/50/91/11/522509111.db2.gz FVMCLBRHEUIGBI-UHFFFAOYSA-N 0 3 252.745 3.625 10 0 CHAEHN CC[C@@](C)(N)c1nc2c(s1)CCc1sccc1-2 ZINC000061326058 523646233 /nfs/dbraw/zinc/64/62/33/523646233.db2.gz JMTROIKXCUWFAC-CYBMUJFWSA-N 0 3 264.419 3.554 10 0 CHAEHN CN(c1ccccc1F)c1ccc(Cl)cc1CN ZINC000052857731 523656239 /nfs/dbraw/zinc/65/62/39/523656239.db2.gz RYAMUKYXCZWNOU-UHFFFAOYSA-N 0 3 264.731 3.706 10 0 CHAEHN CCc1ccc([C@@](C)(N)c2ccc(F)cc2F)cc1 ZINC000055238508 524041429 /nfs/dbraw/zinc/04/14/29/524041429.db2.gz TWRAVMIYZOPBKM-MRXNPFEDSA-N 0 3 261.315 3.749 10 0 CHAEHN CCc1ccc([C@H]2CNC3(CCC(C)CC3)CO2)s1 ZINC000053102401 524055745 /nfs/dbraw/zinc/05/57/45/524055745.db2.gz DJKWVIGTNOFNKU-CXOJTPOUSA-N 0 3 279.449 3.920 10 0 CHAEHN C[C@@H]1CCCN(Cc2c(N)cccc2Br)[C@@H]1C ZINC000050563132 524230226 /nfs/dbraw/zinc/23/02/26/524230226.db2.gz QTYYSCJITSBQKQ-GHMZBOCLSA-N 0 3 297.240 3.652 10 0 CHAEHN Cc1cc(CNC(C)C)nc(C2CCC(C)CC2)n1 ZINC000054831765 524750212 /nfs/dbraw/zinc/75/02/12/524750212.db2.gz ZLHJUJMFQZIIJD-UHFFFAOYSA-N 0 3 261.413 3.577 10 0 CHAEHN Cc1cc(COCCC(C)C)oc1CNC(C)C ZINC000052624858 524804737 /nfs/dbraw/zinc/80/47/37/524804737.db2.gz QHNSOKOJJGGLJE-UHFFFAOYSA-N 0 3 253.386 3.649 10 0 CHAEHN Cc1ccc(F)cc1[C@@H](N)c1cccc(Br)c1 ZINC000055205856 524874974 /nfs/dbraw/zinc/87/49/74/524874974.db2.gz BOLVBMCNKMVBAC-AWEZNQCLSA-N 0 3 294.167 3.945 10 0 CHAEHN Cc1ccccc1N(C)c1nc2c(s1)[C@@H](N)CCC2 ZINC000054897521 525216715 /nfs/dbraw/zinc/21/67/15/525216715.db2.gz QMXOKHNQZNWCPX-NSHDSACASA-N 0 3 273.405 3.556 10 0 CHAEHN Cc1ccc(NC(=O)c2ccc3c(c2)CNC3)cc1Cl ZINC000156637480 525240467 /nfs/dbraw/zinc/24/04/67/525240467.db2.gz HHDJURCWYUAPHW-UHFFFAOYSA-N 0 3 286.762 3.504 10 0 CHAEHN Cc1nc(Cc2ccc(Cl)cc2Cl)ncc1[C@H](C)N ZINC000054962491 526927909 /nfs/dbraw/zinc/92/79/09/526927909.db2.gz STMZYHCJFPKHFI-QMMMGPOBSA-N 0 3 296.201 3.702 10 0 CHAEHN Clc1cccc(Cl)c1Cc1nc2c(s1)CNCC2 ZINC000053335736 526979708 /nfs/dbraw/zinc/97/97/08/526979708.db2.gz ORVSSKWEVBVANF-UHFFFAOYSA-N 0 3 299.226 3.686 10 0 CHAEHN NC[C@H](Oc1cccc(F)c1F)c1ccccc1Cl ZINC000062612520 527228810 /nfs/dbraw/zinc/22/88/10/527228810.db2.gz NWZIZBPSXPIMSB-ZDUSSCGKSA-N 0 3 283.705 3.697 10 0 CHAEHN C[C@H]1CCCN(Cc2cc(N)ccc2Br)[C@H]1C ZINC000252681946 566977050 /nfs/dbraw/zinc/97/70/50/566977050.db2.gz BHDGEMDZBJDLGD-QWRGUYRKSA-N 0 3 297.240 3.652 10 0 CHAEHN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](C)O)s1 ZINC000036101562 566994113 /nfs/dbraw/zinc/99/41/13/566994113.db2.gz NOKHHCCRHIPJAM-GFCCVEGCSA-N 0 3 293.407 3.579 10 0 CHAEHN CCC[C@@H](N)c1cc2c(cccc2Br)o1 ZINC000675081165 567027019 /nfs/dbraw/zinc/02/70/19/567027019.db2.gz KLOKOOHVFOETIP-SNVBAGLBSA-N 0 3 268.154 3.995 10 0 CHAEHN OCCCCCNCc1ccc(-c2cccc(Cl)c2)o1 ZINC000013727174 567867397 /nfs/dbraw/zinc/86/73/97/567867397.db2.gz GTIRBBWDOFZQRS-UHFFFAOYSA-N 0 3 293.794 3.852 10 0 CHAEHN Cn1nc(CNC2CCCCCCC2)c(-c2ccccc2)n1 ZINC000057353214 567895017 /nfs/dbraw/zinc/89/50/17/567895017.db2.gz VDGFEGQWJBONSC-UHFFFAOYSA-N 0 3 298.434 3.685 10 0 CHAEHN CC(C)n1nc(CNC2CCCCC2)c(-c2ccccc2)n1 ZINC000057353266 567895141 /nfs/dbraw/zinc/89/51/41/567895141.db2.gz FXIZZUMGWWXJEX-UHFFFAOYSA-N 0 3 298.434 3.948 10 0 CHAEHN CNCc1cc(Cl)ccc1OCc1cccc(C)c1 ZINC000019777458 567944791 /nfs/dbraw/zinc/94/47/91/567944791.db2.gz VSNYWUPNKSCFBJ-UHFFFAOYSA-N 0 3 275.779 3.947 10 0 CHAEHN CC(C)[C@H](N)c1cc2cc(Br)ccc2o1 ZINC000020592759 570408377 /nfs/dbraw/zinc/40/83/77/570408377.db2.gz WBYCRIBURDQFHK-LBPRGKRZSA-N 0 3 268.154 3.851 10 0 CHAEHN CCCc1nc(CCc2ccccc2)sc1CNC ZINC000082429234 178006365 /nfs/dbraw/zinc/00/63/65/178006365.db2.gz WJOWNQKLHKQASG-UHFFFAOYSA-N 0 3 274.433 3.600 10 0 CHAEHN Cc1cccc(-c2nc(C(C)(C)C)c(CN)s2)c1 ZINC000082439134 178016781 /nfs/dbraw/zinc/01/67/81/178016781.db2.gz JQJHXQYJMKNNJT-UHFFFAOYSA-N 0 3 260.406 3.875 10 0 CHAEHN CCOc1ccccc1-c1nc(C(C)(C)C)c(CN)s1 ZINC000082440432 178018526 /nfs/dbraw/zinc/01/85/26/178018526.db2.gz RJCRREIISUBDTA-UHFFFAOYSA-N 0 3 290.432 3.965 10 0 CHAEHN Cc1ccc([C@@H](N)Cc2ccccc2Br)o1 ZINC000096978599 185145573 /nfs/dbraw/zinc/14/55/73/185145573.db2.gz ADWXSNKGRONNKY-LBPRGKRZSA-N 0 3 280.165 3.593 10 0 CHAEHN COc1ccccc1C1=CCN(Cc2ccccc2)C1 ZINC000090555164 180003169 /nfs/dbraw/zinc/00/31/69/180003169.db2.gz JMXJJANFTBPHMZ-UHFFFAOYSA-N 0 3 265.356 3.594 10 0 CHAEHN COCCCSc1cccc(Cl)c1CNC(C)C ZINC000104435843 186001643 /nfs/dbraw/zinc/00/16/43/186001643.db2.gz KZKUDNLNTFNUIV-UHFFFAOYSA-N 0 3 287.856 3.967 10 0 CHAEHN CCCCN(C)c1c2c(nc3ccccc31)CCC2 ZINC000005596296 170117711 /nfs/dbraw/zinc/11/77/11/170117711.db2.gz UFHGBQYDAMYISO-UHFFFAOYSA-N 0 3 254.377 3.960 10 0 CHAEHN O=C(CNC1CCCCCCC1)Nc1cccc(Cl)c1 ZINC000008131104 170320151 /nfs/dbraw/zinc/32/01/51/170320151.db2.gz HHZHAOSYTFTFKU-UHFFFAOYSA-N 0 3 294.826 3.981 10 0 CHAEHN CCc1c(C)sc2c1CCN[C@@H]2c1ccccc1 ZINC000009115973 170364378 /nfs/dbraw/zinc/36/43/78/170364378.db2.gz LBHBJXVJHKFANC-OAHLLOKOSA-N 0 3 257.402 3.854 10 0 CHAEHN C[C@@H](N[C@@H](CN(C)C)c1ccccc1)c1ccccc1F ZINC000020129352 171016847 /nfs/dbraw/zinc/01/68/47/171016847.db2.gz CAMYMHRMZJKSBW-KDOFPFPSSA-N 0 3 286.394 3.779 10 0 CHAEHN C[C@H](N[C@H](CN(C)C)c1ccccc1)c1ccc(F)cc1 ZINC000020129361 171016885 /nfs/dbraw/zinc/01/68/85/171016885.db2.gz PLJNDDORYZAITQ-KBXCAEBGSA-N 0 3 286.394 3.779 10 0 CHAEHN C[C@@H](N[C@H](CN(C)C)c1ccccc1)c1cccs1 ZINC000020129350 171017045 /nfs/dbraw/zinc/01/70/45/171017045.db2.gz CTMBNTJVHVHCCU-UKRRQHHQSA-N 0 3 274.433 3.702 10 0 CHAEHN NCc1sc(-c2cccs2)nc1-c1ccccc1 ZINC000020184383 171047384 /nfs/dbraw/zinc/04/73/84/171047384.db2.gz WONWEPBEWADUTN-UHFFFAOYSA-N 0 3 272.398 3.997 10 0 CHAEHN CN(Cc1ccc(Cl)cc1)[C@H](CN)c1cccs1 ZINC000020225325 171087118 /nfs/dbraw/zinc/08/71/18/171087118.db2.gz UFCANQQAKDGMOA-CYBMUJFWSA-N 0 3 280.824 3.533 10 0 CHAEHN CN(Cc1ccc(Cl)cc1)[C@H](CN)c1ccccc1F ZINC000020225611 171088885 /nfs/dbraw/zinc/08/88/85/171088885.db2.gz AFRXNIJLMGSRPV-MRXNPFEDSA-N 0 3 292.785 3.611 10 0 CHAEHN CN(Cc1ccc(F)cc1)[C@H](CN)c1cccc(Cl)c1 ZINC000020225959 171089562 /nfs/dbraw/zinc/08/95/62/171089562.db2.gz FAFXISLCBHJIOT-MRXNPFEDSA-N 0 3 292.785 3.611 10 0 CHAEHN CC(C)CN(C)[C@@H](CN)c1ccc(Cl)cc1Cl ZINC000020226698 171091394 /nfs/dbraw/zinc/09/13/94/171091394.db2.gz OGJNVRADIRBRLW-ZDUSSCGKSA-N 0 3 275.223 3.581 10 0 CHAEHN CC[C@H]([C@@H](N)c1ccccc1)n1ccnc1C(C)C ZINC000020261737 171118700 /nfs/dbraw/zinc/11/87/00/171118700.db2.gz RQVDLAMZPFDPNM-CABCVRRESA-N 0 3 257.381 3.658 10 0 CHAEHN CC[C@H](Oc1ccccc1F)[C@@H](N)c1ccccc1 ZINC000020262546 171119792 /nfs/dbraw/zinc/11/97/92/171119792.db2.gz HWXUQCARQLSBTM-HOCLYGCPSA-N 0 3 259.324 3.683 10 0 CHAEHN C[C@@H](N)c1ccc(-c2cccc(Br)c2)o1 ZINC000020267852 171124222 /nfs/dbraw/zinc/12/42/22/171124222.db2.gz QDBLSGGAHSITHJ-MRVPVSSYSA-N 0 3 266.138 3.729 10 0 CHAEHN Cc1cccc([C@@H](N)c2ccc3c(c2)CCC3)c1C ZINC000020384660 171175483 /nfs/dbraw/zinc/17/54/83/171175483.db2.gz VQTVCSANFMSYRO-SFHVURJKSA-N 0 3 251.373 3.840 10 0 CHAEHN Cc1ccccc1[C@H](N)c1cccc(Br)c1 ZINC000020391222 171179594 /nfs/dbraw/zinc/17/95/94/171179594.db2.gz DRMJULAEFKJQOQ-CQSZACIVSA-N 0 3 276.177 3.806 10 0 CHAEHN N[C@H](Cc1nc2ccccc2s1)c1cccs1 ZINC000020428198 171193592 /nfs/dbraw/zinc/19/35/92/171193592.db2.gz OSDJINWQOPDKHX-SECBINFHSA-N 0 3 260.387 3.600 10 0 CHAEHN N[C@@H](Cc1ccccn1)c1c(Cl)cccc1Cl ZINC000020429038 171193906 /nfs/dbraw/zinc/19/39/06/171193906.db2.gz VQBOCAZEJQQSBZ-LBPRGKRZSA-N 0 3 267.159 3.631 10 0 CHAEHN N[C@@H](Cc1ccccn1)c1cccc(Cl)c1Cl ZINC000020429030 171194096 /nfs/dbraw/zinc/19/40/96/171194096.db2.gz FGDZTFYHSKNBJP-LBPRGKRZSA-N 0 3 267.159 3.631 10 0 CHAEHN Cc1cc([C@H](C)N[C@H](CN(C)C)c2ccccc2)c(C)o1 ZINC000020438939 171203168 /nfs/dbraw/zinc/20/31/68/171203168.db2.gz HZKCXSHVORZRFB-KBXCAEBGSA-N 0 3 286.419 3.850 10 0 CHAEHN COc1ccc(F)cc1[C@H](N)c1ccc(Cl)cc1 ZINC000020470568 171212045 /nfs/dbraw/zinc/21/20/45/171212045.db2.gz UOQLJMJEOACWPE-CQSZACIVSA-N 0 3 265.715 3.536 10 0 CHAEHN CCCCN(CCCC)[C@H](CN)c1ccccc1F ZINC000020484988 171224448 /nfs/dbraw/zinc/22/44/48/171224448.db2.gz VTEOOEIUBUGKTM-MRXNPFEDSA-N 0 3 266.404 3.728 10 0 CHAEHN COc1ccc([C@H](N)c2ccc(F)cc2F)cc1Cl ZINC000020521837 171235306 /nfs/dbraw/zinc/23/53/06/171235306.db2.gz SCIYSPDWNDBGEY-AWEZNQCLSA-N 0 3 283.705 3.675 10 0 CHAEHN Cc1cccc(OC[C@@H](N)c2ccccc2C)c1C ZINC000020548714 171245782 /nfs/dbraw/zinc/24/57/82/171245782.db2.gz KNNIDVJTAXKGGH-MRXNPFEDSA-N 0 3 255.361 3.691 10 0 CHAEHN CCOc1ccccc1[C@@H](N)COc1c(C)cccc1C ZINC000020560603 171251883 /nfs/dbraw/zinc/25/18/83/171251883.db2.gz PTPDRVPCEWLODF-INIZCTEOSA-N 0 3 285.387 3.781 10 0 CHAEHN CCc1ccc([C@H](N)COc2ccccc2C)cc1 ZINC000020563166 171252655 /nfs/dbraw/zinc/25/26/55/171252655.db2.gz JWENVMNTOFBCNL-MRXNPFEDSA-N 0 3 255.361 3.636 10 0 CHAEHN C[C@H]1[C@H](NCc2c(F)cccc2F)CCC[C@@H]1C ZINC000020565009 171253363 /nfs/dbraw/zinc/25/33/63/171253363.db2.gz VTEZYVFOBPZBAZ-FIXISWKDSA-N 0 3 253.336 3.879 10 0 CHAEHN Clc1nc2ccccc2cc1CNC1CCCC1 ZINC000020935406 171281789 /nfs/dbraw/zinc/28/17/89/171281789.db2.gz RWDOTPXPAHNUFU-UHFFFAOYSA-N 0 3 260.768 3.920 10 0 CHAEHN Cc1ccc(OC[C@H](N)c2ccc(C)c(C)c2)cc1C ZINC000021513606 171311442 /nfs/dbraw/zinc/31/14/42/171311442.db2.gz RIWLGLMGRPOHQN-SFHVURJKSA-N 0 3 269.388 3.999 10 0 CHAEHN Cc1ccc([C@H](N)COc2ccc(C)c(C)c2)c(C)c1 ZINC000021519140 171315229 /nfs/dbraw/zinc/31/52/29/171315229.db2.gz ZYMXAQBIFVCXMX-GOSISDBHSA-N 0 3 269.388 3.999 10 0 CHAEHN CCOc1ccc(OC[C@H](N)c2cc(C)ccc2C)cc1 ZINC000021812455 171329597 /nfs/dbraw/zinc/32/95/97/171329597.db2.gz TYMVJPRWVOGFLF-SFHVURJKSA-N 0 3 285.387 3.781 10 0 CHAEHN CC[C@H](C)c1ccccc1Oc1ncccc1CN ZINC000022222259 171378776 /nfs/dbraw/zinc/37/87/76/171378776.db2.gz FFLCBEJDQJGLIE-LBPRGKRZSA-N 0 3 256.349 3.846 10 0 CHAEHN Cc1ccc(C(=O)Nc2ccccc2[C@H](C)N)c(C)c1 ZINC000022223829 171379618 /nfs/dbraw/zinc/37/96/18/171379618.db2.gz OERWDMOKGUYCEY-ZDUSSCGKSA-N 0 3 268.360 3.575 10 0 CHAEHN Cc1ccc(C(=O)Nc2ccccc2[C@@H](C)N)c(C)c1 ZINC000022223827 171379846 /nfs/dbraw/zinc/37/98/46/171379846.db2.gz OERWDMOKGUYCEY-CYBMUJFWSA-N 0 3 268.360 3.575 10 0 CHAEHN Cc1ccc([C@@H](N)[C@@H](C)Oc2ccccc2F)cc1 ZINC000022564840 171391633 /nfs/dbraw/zinc/39/16/33/171391633.db2.gz WVEDLAYFARMKEF-WBMJQRKESA-N 0 3 259.324 3.601 10 0 CHAEHN CCCCCN[C@H](c1ccccc1)c1ccncc1 ZINC000035174599 172027685 /nfs/dbraw/zinc/02/76/85/172027685.db2.gz SOTQVPFXBXNGJV-QGZVFWFLSA-N 0 3 254.377 3.951 10 0 CHAEHN FC(F)(F)[C@H]1CCCC[C@@H]1NCc1cccs1 ZINC000035258153 172089232 /nfs/dbraw/zinc/08/92/32/172089232.db2.gz RGEDKZVYFYWEHM-QWRGUYRKSA-N 0 3 263.328 3.959 10 0 CHAEHN COc1ccc([C@@H](N)c2ccc(Cl)cc2)cc1F ZINC000035424341 172192406 /nfs/dbraw/zinc/19/24/06/172192406.db2.gz WDXFXCSYUBRAEU-AWEZNQCLSA-N 0 3 265.715 3.536 10 0 CHAEHN CN[C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000035427484 172194804 /nfs/dbraw/zinc/19/48/04/172194804.db2.gz BVPHOCMXVMGTJN-SECBINFHSA-N 0 3 251.276 3.722 10 0 CHAEHN CCc1ccc([C@@H](NC)c2ccc(F)c(F)c2)s1 ZINC000035460832 172208835 /nfs/dbraw/zinc/20/88/35/172208835.db2.gz KNTADJJQDHHSPT-AWEZNQCLSA-N 0 3 267.344 3.898 10 0 CHAEHN CN[C@@H](c1ccsc1)c1ccc(OC)c(Cl)c1 ZINC000035461582 172209747 /nfs/dbraw/zinc/20/97/47/172209747.db2.gz QZJRRDZJKAJYGU-CYBMUJFWSA-N 0 3 267.781 3.719 10 0 CHAEHN CN[C@H](c1cc(C)sc1C)c1cccc(OC)c1 ZINC000035497708 172231150 /nfs/dbraw/zinc/23/11/50/172231150.db2.gz CGDNEYAXCOTWSM-HNNXBMFYSA-N 0 3 261.390 3.682 10 0 CHAEHN CN[C@@H](c1cccc(C)c1)c1ccc(OC)c(C)c1 ZINC000035506528 172239267 /nfs/dbraw/zinc/23/92/67/172239267.db2.gz AGDITZJSPXPVTQ-KRWDZBQOSA-N 0 3 255.361 3.621 10 0 CHAEHN CCN[C@@H](CC(F)(F)F)c1ccc(OC)cc1C ZINC000035543322 172250644 /nfs/dbraw/zinc/25/06/44/172250644.db2.gz RNIAZOIUZOXOBV-LBPRGKRZSA-N 0 3 261.287 3.607 10 0 CHAEHN CCN[C@H](c1occc1C)c1ccc(OC)cc1C ZINC000035542980 172250686 /nfs/dbraw/zinc/25/06/86/172250686.db2.gz KZRCVAUMUJATJE-HNNXBMFYSA-N 0 3 259.349 3.604 10 0 CHAEHN CCN[C@H](c1c(F)cc(F)cc1F)C1CCCC1 ZINC000035544861 172252855 /nfs/dbraw/zinc/25/28/55/172252855.db2.gz WTWRNQSDMZFCRV-AWEZNQCLSA-N 0 3 257.299 3.945 10 0 CHAEHN CCN[C@H](c1cccs1)c1ccccc1OCC ZINC000035545619 172253421 /nfs/dbraw/zinc/25/34/21/172253421.db2.gz CKELWNMSEKPWOO-HNNXBMFYSA-N 0 3 261.390 3.846 10 0 CHAEHN CCN[C@@H](c1ccsc1)c1ccc(F)c(F)c1 ZINC000035548579 172257149 /nfs/dbraw/zinc/25/71/49/172257149.db2.gz WOFUSKSAWYUQQN-CYBMUJFWSA-N 0 3 253.317 3.725 10 0 CHAEHN CCN[C@H](c1ccsc1)c1ccc2c(c1)CCC2 ZINC000035551174 172258409 /nfs/dbraw/zinc/25/84/09/172258409.db2.gz NRCKVHYSKBZMMZ-INIZCTEOSA-N 0 3 257.402 3.936 10 0 CHAEHN CCN[C@@H](CC)c1cc2c(cc1Cl)OCCCO2 ZINC000035557325 172262825 /nfs/dbraw/zinc/26/28/25/172262825.db2.gz VMQKUMASYCOMLK-LBPRGKRZSA-N 0 3 269.772 3.562 10 0 CHAEHN CCCN[C@H](c1cccs1)c1ccc(OC)cc1 ZINC000035576283 172272561 /nfs/dbraw/zinc/27/25/61/172272561.db2.gz SLCCRRKKHJZOEO-HNNXBMFYSA-N 0 3 261.390 3.846 10 0 CHAEHN CCCN[C@@H](CC)c1cc(OC)c(OC)cc1Cl ZINC000035584691 172284348 /nfs/dbraw/zinc/28/43/48/172284348.db2.gz UXCRVYFUXAJPEL-LBPRGKRZSA-N 0 3 271.788 3.808 10 0 CHAEHN CNCc1cc(Cl)cc(Cl)c1OCc1ccncc1 ZINC000035661975 172340108 /nfs/dbraw/zinc/34/01/08/172340108.db2.gz COBIVLZPEVYJCV-UHFFFAOYSA-N 0 3 297.185 3.687 10 0 CHAEHN CN(Cc1cccs1)Cc1ccc(Cl)c(N)c1 ZINC000035716594 172369961 /nfs/dbraw/zinc/36/99/61/172369961.db2.gz PCHNNYYIDWVOOZ-UHFFFAOYSA-N 0 3 266.797 3.616 10 0 CHAEHN C[C@@H](N)c1c(F)cccc1N(C)Cc1cccs1 ZINC000035717700 172372143 /nfs/dbraw/zinc/37/21/43/172372143.db2.gz NTPCCZFXQYEKBI-SNVBAGLBSA-N 0 3 264.369 3.543 10 0 CHAEHN CN[C@H](C)c1c(F)cccc1N(C)Cc1ccsc1 ZINC000035719340 172374203 /nfs/dbraw/zinc/37/42/03/172374203.db2.gz ZVLKGOLQTLCQLO-LLVKDONJSA-N 0 3 278.396 3.804 10 0 CHAEHN NCc1cc(C(F)(F)F)ccc1Sc1ccccn1 ZINC000035720146 172374661 /nfs/dbraw/zinc/37/46/61/172374661.db2.gz VDFDLUHLRSJFGR-UHFFFAOYSA-N 0 3 284.306 3.710 10 0 CHAEHN CNCc1cc(F)ccc1Oc1cc(C)ccc1C ZINC000037237690 173055571 /nfs/dbraw/zinc/05/55/71/173055571.db2.gz DACLDWNJVMKZKY-UHFFFAOYSA-N 0 3 259.324 3.954 10 0 CHAEHN CC[C@H](C(=O)c1ccccc1)N(C)C1CCCCC1 ZINC000037333186 173134199 /nfs/dbraw/zinc/13/41/99/173134199.db2.gz PNXZVTCPFIWGFT-MRXNPFEDSA-N 0 3 259.393 3.912 10 0 CHAEHN C[C@H]1C[C@H](C)CN(Cc2c(N)cccc2Br)C1 ZINC000037401820 173178001 /nfs/dbraw/zinc/17/80/01/173178001.db2.gz HEOFDTGJHSXGJG-QWRGUYRKSA-N 0 3 297.240 3.509 10 0 CHAEHN Nc1ccc(Cl)c(CN2CCCCCCC2)c1 ZINC000037403081 173179618 /nfs/dbraw/zinc/17/96/18/173179618.db2.gz QEOGJVOCRXRHSU-UHFFFAOYSA-N 0 3 252.789 3.688 10 0 CHAEHN CC[C@@H](C)[C@H](N)c1nc2cc(C)ccc2n1C(C)C ZINC000037438567 173209037 /nfs/dbraw/zinc/20/90/37/173209037.db2.gz WZJJLDDGLAPIGJ-DOMZBBRYSA-N 0 3 259.397 3.972 10 0 CHAEHN CCCC[C@@H](N)c1nc2cc(F)ccc2n1CCC ZINC000037439559 173209750 /nfs/dbraw/zinc/20/97/50/173209750.db2.gz KGLOHVNKASLLKY-GFCCVEGCSA-N 0 3 263.360 3.775 10 0 CHAEHN Cc1ccc([C@H](C)N2CCc3c(N)cccc3C2)cc1 ZINC000038032475 174029134 /nfs/dbraw/zinc/02/91/34/174029134.db2.gz AQZYOIGUDSAARM-AWEZNQCLSA-N 0 3 266.388 3.697 10 0 CHAEHN CCNCc1cc(-c2cccc(C)c2)ccc1OC ZINC000038071566 174082745 /nfs/dbraw/zinc/08/27/45/174082745.db2.gz IWLZWWGHFQQLTQ-UHFFFAOYSA-N 0 3 255.361 3.780 10 0 CHAEHN CNCc1ccc(-c2ccc3c(c2)CCC3)cc1F ZINC000038073350 174083434 /nfs/dbraw/zinc/08/34/34/174083434.db2.gz ZXZUUOIODFBBGY-UHFFFAOYSA-N 0 3 255.336 3.701 10 0 CHAEHN CCN[C@@H]1COc2c1cc1ccccc1c2Br ZINC000038077579 174088174 /nfs/dbraw/zinc/08/81/74/174088174.db2.gz RCYHPLFUXDQUDG-GFCCVEGCSA-N 0 3 292.176 3.645 10 0 CHAEHN CCOc1cccc([C@@H](N)c2ccccc2Cl)c1 ZINC000038078468 174088637 /nfs/dbraw/zinc/08/86/37/174088637.db2.gz DMWNZOVJSYTZRF-OAHLLOKOSA-N 0 3 261.752 3.787 10 0 CHAEHN C[C@@H](NC[C@@H](C)N(C)C)c1c(Cl)ccc(F)c1Cl ZINC000038088304 174101732 /nfs/dbraw/zinc/10/17/32/174101732.db2.gz WMQZFELNNOMYDY-RKDXNWHRSA-N 0 3 293.213 3.733 10 0 CHAEHN CN[C@H](Cc1cccs1)c1cc(F)ccc1F ZINC000038132748 174132090 /nfs/dbraw/zinc/13/20/90/174132090.db2.gz NOENAWMBQVGECC-CYBMUJFWSA-N 0 3 253.317 3.530 10 0 CHAEHN Cc1c(CNC2CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000042355610 174694173 /nfs/dbraw/zinc/69/41/73/174694173.db2.gz JUDDPKDNWBKCQX-UHFFFAOYSA-N 0 3 296.201 3.740 10 0 CHAEHN CCN[C@H](c1cccc(C)c1)c1cc(F)cc(F)c1 ZINC000043388035 175033017 /nfs/dbraw/zinc/03/30/17/175033017.db2.gz HZZWQCPCTVXBMP-MRXNPFEDSA-N 0 3 261.315 3.972 10 0 CHAEHN CCCNCc1nc2cccc(Cl)c2n1C(C)C ZINC000044624131 175220415 /nfs/dbraw/zinc/22/04/15/175220415.db2.gz MTMOMAHCPYSROA-UHFFFAOYSA-N 0 3 265.788 3.770 10 0 CHAEHN CN[C@@H](C)c1csc(-c2ccc(Br)cc2)n1 ZINC000070841061 176008536 /nfs/dbraw/zinc/00/85/36/176008536.db2.gz DCRHCTBBLDJEFN-QMMMGPOBSA-N 0 3 297.221 3.853 10 0 CHAEHN COc1ccc2c(c1)C(C)(C)CN[C@@H]2c1ccccc1C ZINC000071631838 176236569 /nfs/dbraw/zinc/23/65/69/176236569.db2.gz NGQOYFGHZNRZDB-GOSISDBHSA-N 0 3 281.399 3.974 10 0 CHAEHN CCCOc1cccc(-c2nc([C@H](C)NC)cs2)c1 ZINC000076784874 177092150 /nfs/dbraw/zinc/09/21/50/177092150.db2.gz FRJVUZKALABPTL-NSHDSACASA-N 0 3 276.405 3.879 10 0 CHAEHN COCc1c2ccc3ccccc3c2oc1CNC1CC1 ZINC000077072323 177188370 /nfs/dbraw/zinc/18/83/70/177188370.db2.gz MZTQYTYOUVWAAO-UHFFFAOYSA-N 0 3 281.355 3.984 10 0 CHAEHN Cc1ccncc1-c1noc([C@H]2CCCN2C2CCCC2)n1 ZINC000333241943 228194620 /nfs/dbraw/zinc/19/46/20/228194620.db2.gz WMXZTWOSVAFEPY-OAHLLOKOSA-N 0 3 298.390 3.520 10 0 CHAEHN Cc1nccc(CN[C@H]2CCC[C@@H](C(C)(C)C)CC2)n1 ZINC000086957345 260210935 /nfs/dbraw/zinc/21/09/35/260210935.db2.gz IKOGRBYWQCMSJJ-CABCVRRESA-N 0 3 275.440 3.870 10 0 CHAEHN COc1ccc2c(c1)[C@H](N[C@@H]1CCOc3ccccc31)CC2 ZINC000173230607 261158793 /nfs/dbraw/zinc/15/87/93/261158793.db2.gz SYYILZFQEVJQLO-QZTJIDSGSA-N 0 3 295.382 3.796 10 0 CHAEHN CCc1nccn1[C@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC000106216141 261323366 /nfs/dbraw/zinc/32/33/66/261323366.db2.gz POGVUZJSCOOAIP-KRWDZBQOSA-N 0 3 283.419 3.591 10 0 CHAEHN C[C@H](COCc1ccccc1)N[C@@H](C)c1ccco1 ZINC000178065289 261375854 /nfs/dbraw/zinc/37/58/54/261375854.db2.gz WJOQXYVXNGWUIR-KGLIPLIRSA-N 0 3 259.349 3.536 10 0 CHAEHN Cc1ccc(CN[C@H](C)COCc2ccccc2)cc1C ZINC000390575133 262222004 /nfs/dbraw/zinc/22/20/04/262222004.db2.gz VVVALTXZPBRZHS-QGZVFWFLSA-N 0 3 283.415 3.998 10 0 CHAEHN C[C@H](COCc1ccccc1)Nc1ccnc2ccccc21 ZINC000390659374 262236257 /nfs/dbraw/zinc/23/62/57/262236257.db2.gz LQEGAZOGSSOIQT-OAHLLOKOSA-N 0 3 292.382 3.674 10 0 CHAEHN CC(C)[C@@H](C)N[C@H](C)c1ncc(Br)cc1F ZINC000186937484 262331007 /nfs/dbraw/zinc/33/10/07/262331007.db2.gz MFUPIIXOQKVVOT-RKDXNWHRSA-N 0 3 289.192 3.678 10 0 CHAEHN CCn1nc(C)c([C@H](C)NC[C@@H]2CCCC2(F)F)c1C ZINC000390856474 262354603 /nfs/dbraw/zinc/35/46/03/262354603.db2.gz JTKNKFIRCDKYNA-GWCFXTLKSA-N 0 3 285.382 3.606 10 0 CHAEHN CC[C@@H](CO)N[C@@H](c1ccccc1)c1ccc(C)cc1C ZINC000021012517 262374055 /nfs/dbraw/zinc/37/40/55/262374055.db2.gz KDGSXWGPZAVWPS-HKUYNNGSSA-N 0 3 283.415 3.753 10 0 CHAEHN CCO[C@@H]1C[C@H](N(C)Cc2cncc(C)c2)C12CCCC2 ZINC000189956640 264338221 /nfs/dbraw/zinc/33/82/21/264338221.db2.gz ZMNVTASBGXTFSF-DLBZAZTESA-N 0 3 288.435 3.560 10 0 CHAEHN CCC[C@@H]1C[C@@H]1N[C@H](C)c1ccc(Br)cn1 ZINC000310041786 327851629 /nfs/dbraw/zinc/85/16/29/327851629.db2.gz YZHXUFSQWJPVCN-BREBYQMCSA-N 0 3 283.213 3.683 10 0 CHAEHN Cc1ccccc1CNCc1ccnc2ccccc12 ZINC000111763336 328377132 /nfs/dbraw/zinc/37/71/32/328377132.db2.gz SKMAQYPPKSNVJU-UHFFFAOYSA-N 0 3 262.356 3.833 10 0 CHAEHN CC[C@@H](NCc1cnn(C)c1C)c1ccc(Cl)cc1 ZINC000093649574 327132697 /nfs/dbraw/zinc/13/26/97/327132697.db2.gz KSMCRPWLBYRKJB-OAHLLOKOSA-N 0 3 277.799 3.623 10 0 CHAEHN Cc1c(CN[C@H](C)c2ccc(CC(C)C)cc2)cnn1C ZINC000093649505 327132749 /nfs/dbraw/zinc/13/27/49/327132749.db2.gz DTRTYCZMMUJRMK-CQSZACIVSA-N 0 3 285.435 3.778 10 0 CHAEHN CC[C@@H](NCc1ccccc1Br)C(C)C ZINC000042419260 328767732 /nfs/dbraw/zinc/76/77/32/328767732.db2.gz USZCLBNBUQAWNF-CYBMUJFWSA-N 0 3 270.214 3.973 10 0 CHAEHN CCCc1cc(N(C)Cc2noc(C)n2)c2ccccc2n1 ZINC000302162820 328831297 /nfs/dbraw/zinc/83/12/97/328831297.db2.gz KDPDOVJCWLPIOI-UHFFFAOYSA-N 0 3 296.374 3.515 10 0 CHAEHN COc1cccc([C@H](C)N2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000175653267 329167701 /nfs/dbraw/zinc/16/77/01/329167701.db2.gz QHZYDPXJOGWFOH-RDJZCZTQSA-N 0 3 299.418 3.598 10 0 CHAEHN CC1(C)C[C@@H]1N[C@@H]1CCSc2c(F)cccc21 ZINC000045117455 329596923 /nfs/dbraw/zinc/59/69/23/329596923.db2.gz SCOCPGOLINCLRT-NEPJUHHUSA-N 0 3 251.370 3.751 10 0 CHAEHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1cc(F)c(F)c(F)c1 ZINC000248142479 329887684 /nfs/dbraw/zinc/88/76/84/329887684.db2.gz PUCNXLQYCLZXQK-DSLLTWJKSA-N 0 3 299.336 3.568 10 0 CHAEHN C[C@H](N[C@H]1CCO[C@@H](C2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000248813986 329899681 /nfs/dbraw/zinc/89/96/81/329899681.db2.gz KTJINGJYKITMLT-ONENECBXSA-N 0 3 299.336 3.712 10 0 CHAEHN C[C@H](N[C@H]1CCO[C@@H](C2CC2)C1)c1cc(F)ccc1F ZINC000248853836 329900756 /nfs/dbraw/zinc/90/07/56/329900756.db2.gz PCVOLPPWRCANDD-YNZJMPHRSA-N 0 3 281.346 3.573 10 0 CHAEHN C[C@@H](NC[C@@H]1CCCCN1Cc1ccccc1)c1ccoc1 ZINC000379615832 330141996 /nfs/dbraw/zinc/14/19/96/330141996.db2.gz BGCGPCNCNJUMBA-APWZRJJASA-N 0 3 298.430 3.985 10 0 CHAEHN Cc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)no1 ZINC000044295862 330327327 /nfs/dbraw/zinc/32/73/27/330327327.db2.gz YXHVZLLZXOKJOV-JISDDCRVSA-N 0 3 274.408 3.678 10 0 CHAEHN Cc1csc(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000079055103 330330309 /nfs/dbraw/zinc/33/03/09/330330309.db2.gz GKOGCADOGRHVRI-ZJUUUORDSA-N 0 3 278.343 3.662 10 0 CHAEHN COc1ccccc1[C@H](C)N[C@H]1C[C@@H]1c1ccccc1 ZINC000044673984 330331513 /nfs/dbraw/zinc/33/15/13/330331513.db2.gz WMEQSYNCKCDHKB-XKQJLSEDSA-N 0 3 267.372 3.902 10 0 CHAEHN C[C@H](N[C@H]1C[C@H]1C)c1ccccc1OC(F)(F)F ZINC000120425138 330388737 /nfs/dbraw/zinc/38/87/37/330388737.db2.gz WSPHHXMOHIQALM-YWVKMMECSA-N 0 3 259.271 3.644 10 0 CHAEHN CC(C)COc1ccc([C@H](C)N[C@H]2CCO[C@@H]2C)cc1 ZINC000121658524 330404441 /nfs/dbraw/zinc/40/44/41/330404441.db2.gz YTFSYDRAIQZBKR-VBQJREDUSA-N 0 3 277.408 3.549 10 0 CHAEHN CC[C@H](O)CCN[C@H](c1ccccc1)c1ccccc1C ZINC000166130826 331306586 /nfs/dbraw/zinc/30/65/86/331306586.db2.gz JPCCSPIFYSUVLV-PKOBYXMFSA-N 0 3 283.415 3.835 10 0 CHAEHN C[C@@H]1CC(CNCc2cccc(Cl)c2F)C[C@@H](C)O1 ZINC000466408402 331395512 /nfs/dbraw/zinc/39/55/12/331395512.db2.gz FWUPQSZOHONGNL-GHMZBOCLSA-N 0 3 285.790 3.772 10 0 CHAEHN CC(C)(C)[C@H](O)CN[C@@H]1CCCc2sc(Cl)cc21 ZINC000324549238 334888108 /nfs/dbraw/zinc/88/81/08/334888108.db2.gz UMBQYKUOLQOROP-ZYHUDNBSSA-N 0 3 287.856 3.776 10 0 CHAEHN CC(C)N(C)C(=O)[C@@H](C)N[C@H](C)c1ccc2ccccc2c1 ZINC000177410979 333058543 /nfs/dbraw/zinc/05/85/43/333058543.db2.gz CVHANIFLYUFCIZ-HUUCEWRRSA-N 0 3 298.430 3.746 10 0 CHAEHN C[C@H](N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(Cl)s1 ZINC000089216107 333095804 /nfs/dbraw/zinc/09/58/04/333095804.db2.gz BKHMHNLXABAOHN-OUAUKWLOSA-N 0 3 284.856 3.677 10 0 CHAEHN C[C@@H]1C[C@@H]1N[C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000126897218 333613778 /nfs/dbraw/zinc/61/37/78/333613778.db2.gz OTIGJOLUMCHQAR-HFKOZYHYSA-N 0 3 256.176 3.979 10 0 CHAEHN CC[C@H]1CC[C@@H](Nc2cccc(OCCN(C)C)c2)C1 ZINC000080453039 334171692 /nfs/dbraw/zinc/17/16/92/334171692.db2.gz ZEEDCEQUQHQMOS-GOEBONIOSA-N 0 3 276.424 3.618 10 0 CHAEHN CCCC(=O)N[C@H]1CCCN([C@H](CC)c2ccccc2)C1 ZINC000245199135 334184661 /nfs/dbraw/zinc/18/46/61/334184661.db2.gz BMRYWXOSHJQJSC-DLBZAZTESA-N 0 3 288.435 3.518 10 0 CHAEHN C[C@H](c1ccc(F)c(F)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247118896 334275837 /nfs/dbraw/zinc/27/58/37/334275837.db2.gz AIUBQZJUZUBKTQ-HACGYAERSA-N 0 3 295.373 3.653 10 0 CHAEHN C[C@H](c1cccc(F)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248145342 334295949 /nfs/dbraw/zinc/29/59/49/334295949.db2.gz QCIQGPCLUAKKIO-UKPHBRMFSA-N 0 3 277.383 3.514 10 0 CHAEHN C[C@H](N[C@@H](C)[C@H]1CCCO1)c1ccc(F)c(Cl)c1 ZINC000248532285 334304987 /nfs/dbraw/zinc/30/49/87/334304987.db2.gz QKNWBKHCVZPZOO-PKFCDNJMSA-N 0 3 271.763 3.697 10 0 CHAEHN O[C@@H]1CCCCC[C@H]1N[C@H]1CCSc2c(F)cccc21 ZINC000252846770 334396486 /nfs/dbraw/zinc/39/64/86/334396486.db2.gz CTLFMSVMWIEPAT-RRFJBIMHSA-N 0 3 295.423 3.646 10 0 CHAEHN CC[C@@H](C)OCc1cc(C)c(CNCC(C)C)o1 ZINC000052669346 522252849 /nfs/dbraw/zinc/25/28/49/522252849.db2.gz PVFSJIPGUQDGBG-CYBMUJFWSA-N 0 3 253.386 3.649 10 0 CHAEHN CN[C@@H](c1ccc(C)c(F)c1)c1cc(F)ccc1C ZINC000055224184 522367036 /nfs/dbraw/zinc/36/70/36/522367036.db2.gz AUCBQNDZVODNST-INIZCTEOSA-N 0 3 261.315 3.890 10 0 CHAEHN CC(C)Oc1cccc([C@@H](N)c2ccc(F)cc2)c1 ZINC000061666123 519783610 /nfs/dbraw/zinc/78/36/10/519783610.db2.gz MNPLOYLUAJZBME-INIZCTEOSA-N 0 3 259.324 3.661 10 0 CHAEHN CC(C)[C@H]1CCc2nc([C@H]3CCCCN3)sc2C1 ZINC000054556896 519826025 /nfs/dbraw/zinc/82/60/25/519826025.db2.gz ODEWLEPAFFSKES-WCQYABFASA-N 0 3 264.438 3.719 10 0 CHAEHN CC(C)c1ccc([C@@H](O)[C@H](N)c2ccccc2)cc1 ZINC000054681749 519839279 /nfs/dbraw/zinc/83/92/79/519839279.db2.gz DQWYSYCSWKYRHA-IAGOWNOFSA-N 0 3 255.361 3.543 10 0 CHAEHN CCCC1CCN([C@@H](CN)c2ccc(Cl)cc2)CC1 ZINC000050893058 519902888 /nfs/dbraw/zinc/90/28/88/519902888.db2.gz DNXFHHIFGQMVGR-INIZCTEOSA-N 0 3 280.843 3.852 10 0 CHAEHN CCNCc1cccc(Oc2ccc(CC)cc2)n1 ZINC000051546681 520006871 /nfs/dbraw/zinc/00/68/71/520006871.db2.gz ZCOPMLGQTYAETK-UHFFFAOYSA-N 0 3 256.349 3.546 10 0 CHAEHN CCCOc1ccc([C@H](N)c2ccccc2C)cc1 ZINC000055263562 520430196 /nfs/dbraw/zinc/43/01/96/520430196.db2.gz AVMCJFFJBCKLNG-KRWDZBQOSA-N 0 3 255.361 3.832 10 0 CHAEHN CNCc1ccoc1CO[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000052629234 522143461 /nfs/dbraw/zinc/14/34/61/522143461.db2.gz RGJNICXRDMZEFZ-GXTWGEPZSA-N 0 3 265.397 3.730 10 0 CHAEHN CN[C@@H](C)c1ccc(-c2cc(OC)ccc2Cl)o1 ZINC000052924609 522330207 /nfs/dbraw/zinc/33/02/07/522330207.db2.gz WCWOIOLQWBMHCJ-VIFPVBQESA-N 0 3 265.740 3.889 10 0 CHAEHN CC[C@H](C)COc1ccc(OC)cc1CNC(C)C ZINC000050423539 523889280 /nfs/dbraw/zinc/88/92/80/523889280.db2.gz MYXQMULCZFNBJK-ZDUSSCGKSA-N 0 3 265.397 3.618 10 0 CHAEHN C[C@H](Cc1ccsc1)NCc1c(F)cccc1F ZINC000049154148 524761542 /nfs/dbraw/zinc/76/15/42/524761542.db2.gz KBAUXGOVTBIKBX-SNVBAGLBSA-N 0 3 267.344 3.747 10 0 CHAEHN C[C@@H](N)c1cnc(Cc2ccc(F)cc2Cl)s1 ZINC000062608551 525032424 /nfs/dbraw/zinc/03/24/24/525032424.db2.gz QPVNIJNSOFZOPX-SSDOTTSWSA-N 0 3 270.760 3.546 10 0 CHAEHN COc1ccc([C@@H](C)N[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000120422287 525160463 /nfs/dbraw/zinc/16/04/63/525160463.db2.gz OCSLBUJUMZWSSH-BEFAXECRSA-N 0 3 298.430 3.649 10 0 CHAEHN Cc1ccccc1[C@@H](NCC1(C)COC1)c1ccccc1 ZINC000094721677 525372558 /nfs/dbraw/zinc/37/25/58/525372558.db2.gz KPZZVNRFKBBPLQ-SFHVURJKSA-N 0 3 281.399 3.711 10 0 CHAEHN C[C@H](NCc1cc(F)cc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000129436805 525431119 /nfs/dbraw/zinc/43/11/19/525431119.db2.gz XHJOZBZYELMWLV-ZANVPECISA-N 0 3 291.288 3.502 10 0 CHAEHN C[C@H](N[C@@H](C)[C@H]1CCCO1)c1ccc(Cl)s1 ZINC000248744825 525525540 /nfs/dbraw/zinc/52/55/40/525525540.db2.gz CUEXPFRCJCIZFS-LPEHRKFASA-N 0 3 259.802 3.620 10 0 CHAEHN Cc1ccc([C@@H](C)N2Cc3ccccc3C2=N)s1 ZINC000049184049 525691684 /nfs/dbraw/zinc/69/16/84/525691684.db2.gz FJPPFNXQHMDQEZ-LLVKDONJSA-N 0 3 256.374 3.959 10 0 CHAEHN C[C@@H](N[C@H]1CCc2ccccc21)c1cncc(F)c1 ZINC000119137862 525693090 /nfs/dbraw/zinc/69/30/90/525693090.db2.gz QPXHQZMUMZADBX-BZNIZROVSA-N 0 3 256.324 3.559 10 0 CHAEHN COc1cccc(CN2CCC[C@@H](c3nccs3)C2)c1 ZINC000157806443 525937856 /nfs/dbraw/zinc/93/78/56/525937856.db2.gz DTIBOBZZJIHBIB-CQSZACIVSA-N 0 3 288.416 3.531 10 0 CHAEHN C[C@@H](c1nc(-c2cccs2)no1)[C@H](N)c1ccccc1 ZINC000157947735 526164181 /nfs/dbraw/zinc/16/41/81/526164181.db2.gz DQJCONKCPQHIAK-MFKMUULPSA-N 0 3 285.372 3.602 10 0 CHAEHN C[C@H](c1nc(-c2ccsc2)no1)[C@@H](N)c1ccccc1 ZINC000157948790 526172166 /nfs/dbraw/zinc/17/21/66/526172166.db2.gz WMRDJXZEWCGKEQ-GXFFZTMASA-N 0 3 285.372 3.602 10 0 CHAEHN FC1(F)CC(N[C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000290267608 526274612 /nfs/dbraw/zinc/27/46/12/526274612.db2.gz LDXYPICSNOTLAE-AWEZNQCLSA-N 0 3 276.330 3.933 10 0 CHAEHN Fc1ccc(CN2CCC[C@H](c3nccs3)C2)cc1 ZINC000157016227 526333401 /nfs/dbraw/zinc/33/34/01/526333401.db2.gz AZLVPUVKDIXEGK-ZDUSSCGKSA-N 0 3 276.380 3.662 10 0 CHAEHN Cc1n[nH]cc1CN[C@@H]1c2ccccc2CCC1(C)C ZINC000126156054 526556145 /nfs/dbraw/zinc/55/61/45/526556145.db2.gz QEJSRUHQBSUGLG-MRXNPFEDSA-N 0 3 269.392 3.521 10 0 CHAEHN Cc1nc(-c2c(F)cccc2Cl)sc1[C@@H](C)N ZINC000052903449 526559006 /nfs/dbraw/zinc/55/90/06/526559006.db2.gz KNRYKPHBGVAJKS-ZCFIWIBFSA-N 0 3 270.760 3.931 10 0 CHAEHN Cc1nc(N2CCCc3ccccc32)sc1[C@@H](C)N ZINC000054863961 526967135 /nfs/dbraw/zinc/96/71/35/526967135.db2.gz ZNBXHKBDNGXRDI-SNVBAGLBSA-N 0 3 273.405 3.556 10 0 CHAEHN O=C1CCCCC[C@@H]1N1CCC2(CCCCC2)CC1 ZINC000061818674 526971013 /nfs/dbraw/zinc/97/10/13/526971013.db2.gz DKLLHZJJDLVUEQ-HNNXBMFYSA-N 0 3 263.425 3.935 10 0 CHAEHN Cc1nc[nH]c1CN[C@H](c1cccs1)C1CCCC1 ZINC000054796130 527214534 /nfs/dbraw/zinc/21/45/34/527214534.db2.gz JVHWCBVROCLWOD-HNNXBMFYSA-N 0 3 275.421 3.801 10 0 CHAEHN NCc1ccc(Cl)cc1N1CCC[C@@H]2CCCC[C@@H]21 ZINC000062786861 527252685 /nfs/dbraw/zinc/25/26/85/527252685.db2.gz YURYBQYFXSQFEA-WFASDCNBSA-N 0 3 278.827 3.958 10 0 CHAEHN N[C@@H]1CCCc2nc(-c3cccc(Cl)c3F)sc21 ZINC000062606467 527361696 /nfs/dbraw/zinc/36/16/96/527361696.db2.gz AZGDIVBIVRXLTR-SECBINFHSA-N 0 3 282.771 3.939 10 0 CHAEHN N[C@H](Cc1ccc(C(F)(F)F)cc1)c1ccoc1 ZINC000050518610 527388774 /nfs/dbraw/zinc/38/87/74/527388774.db2.gz HFQVZCFIIFRENL-GFCCVEGCSA-N 0 3 255.239 3.541 10 0 CHAEHN N[C@H](c1ccc(F)c(Cl)c1)c1cc(F)ccc1F ZINC000062792306 527390592 /nfs/dbraw/zinc/39/05/92/527390592.db2.gz NGQAFOGXLAZCSA-CYBMUJFWSA-N 0 3 271.669 3.805 10 0 CHAEHN N[C@H](c1cccs1)c1cccc(OC(F)(F)F)c1 ZINC000061703481 527392274 /nfs/dbraw/zinc/39/22/74/527392274.db2.gz HEZAOTGKIZQERB-NSHDSACASA-N 0 3 273.279 3.695 10 0 CHAEHN CCN(Cc1cc(N)ccc1Br)CC(C)C ZINC000149896255 566906164 /nfs/dbraw/zinc/90/61/64/566906164.db2.gz RFAIYUVENBCFGZ-UHFFFAOYSA-N 0 3 285.229 3.509 10 0 CHAEHN C[C@@H]1[C@@H](C)CCCN1Cc1cc(N)ccc1Br ZINC000128393334 567034953 /nfs/dbraw/zinc/03/49/53/567034953.db2.gz BHDGEMDZBJDLGD-WDEREUQCSA-N 0 3 297.240 3.652 10 0 CHAEHN CC[C@H]1[C@H](O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000013468201 567866220 /nfs/dbraw/zinc/86/62/20/567866220.db2.gz OKNRTYWYWMOJGO-INDMIFKZSA-N 0 3 281.399 3.849 10 0 CHAEHN COCCCNCc1ccc(-c2cccc(Cl)c2)o1 ZINC000013722526 567867544 /nfs/dbraw/zinc/86/75/44/567867544.db2.gz OSEWVCZDJUXXJY-UHFFFAOYSA-N 0 3 279.767 3.726 10 0 CHAEHN N[C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000019433749 567877742 /nfs/dbraw/zinc/87/77/42/567877742.db2.gz KKKNZIQXBOFPBU-ZDUSSCGKSA-N 0 3 269.241 3.893 10 0 CHAEHN CC(C)CNCc1cc(Cl)ccc1OC(C)C ZINC000040730341 567890886 /nfs/dbraw/zinc/89/08/86/567890886.db2.gz BIELOMQSLLLYEG-UHFFFAOYSA-N 0 3 255.789 3.873 10 0 CHAEHN CCCn1nc(CNC2CCCCC2)c(-c2ccccc2)n1 ZINC000057353301 567894863 /nfs/dbraw/zinc/89/48/63/567894863.db2.gz MYHZEHGWCDCWJS-UHFFFAOYSA-N 0 3 298.434 3.777 10 0 CHAEHN CCNCc1cccc(OC)c1OCc1ccccc1C ZINC000033442620 570316124 /nfs/dbraw/zinc/31/61/24/570316124.db2.gz PNVRPQXLLSJLOJ-UHFFFAOYSA-N 0 3 285.387 3.692 10 0 CHAEHN CCCc1nc(-c2ccc(CC)cc2)sc1CN ZINC000082428471 178004479 /nfs/dbraw/zinc/00/44/79/178004479.db2.gz NLNZDDZJQGZXNR-UHFFFAOYSA-N 0 3 260.406 3.784 10 0 CHAEHN CNCc1sc(CSC(C)C)nc1C(C)C ZINC000082430187 178008505 /nfs/dbraw/zinc/00/85/05/178008505.db2.gz USWMGMSPSSHDJM-UHFFFAOYSA-N 0 3 258.456 3.628 10 0 CHAEHN CCN[C@H]1CC(CC)(CC)Oc2ccc(F)cc21 ZINC000082508379 178073814 /nfs/dbraw/zinc/07/38/14/178073814.db2.gz YQJQJYSLEOPAHQ-ZDUSSCGKSA-N 0 3 251.345 3.818 10 0 CHAEHN CC(=O)[C@H]1C[C@H](c2ccccc2)N(Cc2ccccc2)C1 ZINC000095764184 185027477 /nfs/dbraw/zinc/02/74/77/185027477.db2.gz HPIOOTFKTKCKLG-RBUKOAKNSA-N 0 3 279.383 3.839 10 0 CHAEHN CN[C@H](Cc1cc(C)ccc1C)c1cc(C)ccn1 ZINC000104415695 185994106 /nfs/dbraw/zinc/99/41/06/185994106.db2.gz QZQZNXQLLGINLO-MRXNPFEDSA-N 0 3 254.377 3.510 10 0 CHAEHN CCN[C@@H](C)c1cc(F)ccc1SCCCOC ZINC000104438319 186002471 /nfs/dbraw/zinc/00/24/71/186002471.db2.gz NFEVBDRGUQBEOP-NSHDSACASA-N 0 3 271.401 3.625 10 0 CHAEHN C[C@H](N)c1ccccc1N1c2ccccc2C[C@@H]1C ZINC000019872319 184534989 /nfs/dbraw/zinc/53/49/89/184534989.db2.gz JBYYOYPXRATFHI-STQMWFEESA-N 0 3 252.361 3.789 10 0 CHAEHN Cc1ccc(Cl)cc1NC(=O)CNC1CCCCC1 ZINC000005518805 170107513 /nfs/dbraw/zinc/10/75/13/170107513.db2.gz AWMDIVXJBYVNJH-UHFFFAOYSA-N 0 3 280.799 3.509 10 0 CHAEHN O[C@@]1(c2ccc(C(F)(F)F)cc2)CCN2CCCC[C@H]2C1 ZINC000006093238 170175514 /nfs/dbraw/zinc/17/55/14/170175514.db2.gz SEWOUMHWEWDIHT-GJZGRUSLSA-N 0 3 299.336 3.541 10 0 CHAEHN C[C@@H](N)c1ccccc1OCCCc1ccccc1 ZINC000019264287 170763408 /nfs/dbraw/zinc/76/34/08/170763408.db2.gz JEXONPDHBPFBSU-CQSZACIVSA-N 0 3 255.361 3.718 10 0 CHAEHN COc1cccc(Oc2cccc(F)c2[C@H](C)N)c1 ZINC000019873545 170903207 /nfs/dbraw/zinc/90/32/07/170903207.db2.gz MPUJVJDCSDVGQQ-JTQLQIEISA-N 0 3 261.296 3.646 10 0 CHAEHN Cc1cc(C)c([C@H](N)c2cc(F)cc(F)c2)c(C)c1 ZINC000019968691 170951148 /nfs/dbraw/zinc/95/11/48/170951148.db2.gz QCIOBDWGPZBGMD-MRXNPFEDSA-N 0 3 261.315 3.938 10 0 CHAEHN COc1cc([C@@H](N)c2ccc3c(c2)CCCC3)ccc1C ZINC000019970587 170953988 /nfs/dbraw/zinc/95/39/88/170953988.db2.gz UOKXTQKPRWESFO-IBGZPJMESA-N 0 3 281.399 3.931 10 0 CHAEHN Cc1ccc([C@@H](N)COc2c(C)cccc2C)cc1 ZINC000020005425 170967148 /nfs/dbraw/zinc/96/71/48/170967148.db2.gz JFFOUQAQXKIJBW-INIZCTEOSA-N 0 3 255.361 3.691 10 0 CHAEHN CC[C@@H](N[C@H](C)c1cccnc1)c1ccc(O)cc1 ZINC000020127657 171013230 /nfs/dbraw/zinc/01/32/30/171013230.db2.gz AKUXAQAUPXEWRE-MLGOLLRUSA-N 0 3 256.349 3.589 10 0 CHAEHN C[C@H](N[C@@H](CN(C)C)c1ccccc1)c1ccccc1 ZINC000020129309 171017490 /nfs/dbraw/zinc/01/74/90/171017490.db2.gz MEBXHYYUBTYHNN-YJBOKZPZSA-N 0 3 268.404 3.640 10 0 CHAEHN c1ccc2c(c1)CC[C@@H]2N[C@H]1CCOc2ccccc21 ZINC000020130039 171018794 /nfs/dbraw/zinc/01/87/94/171018794.db2.gz RHPJUSONSUDWHK-IRXDYDNUSA-N 0 3 265.356 3.787 10 0 CHAEHN C[C@@H](N[C@H](C)c1cccc(F)c1)c1ccc(O)cc1 ZINC000020147838 171034930 /nfs/dbraw/zinc/03/49/30/171034930.db2.gz VQCPAWMPWJCXCZ-VXGBXAGGSA-N 0 3 259.324 3.943 10 0 CHAEHN CC[C@@H]1CCCCN1Cc1cc(N)ccc1Cl ZINC000020192562 171058669 /nfs/dbraw/zinc/05/86/69/171058669.db2.gz SIHUILSRMNWZMU-CYBMUJFWSA-N 0 3 252.789 3.687 10 0 CHAEHN CC(C)CN(C)[C@H](CN)c1cccc(Cl)c1Cl ZINC000020226731 171091529 /nfs/dbraw/zinc/09/15/29/171091529.db2.gz BLXFHQCIJOFGBZ-GFCCVEGCSA-N 0 3 275.223 3.581 10 0 CHAEHN CC[C@H]([C@H](N)c1ccccc1)n1ccnc1C(C)C ZINC000020261743 171119172 /nfs/dbraw/zinc/11/91/72/171119172.db2.gz RQVDLAMZPFDPNM-HUUCEWRRSA-N 0 3 257.381 3.658 10 0 CHAEHN CC[C@H](Oc1ccc(F)cc1)[C@@H](N)c1ccccc1 ZINC000020262606 171120638 /nfs/dbraw/zinc/12/06/38/171120638.db2.gz AZLYHJHNHQPQAE-HOTGVXAUSA-N 0 3 259.324 3.683 10 0 CHAEHN N[C@@H](c1ccc2c(c1)CCC2)c1cccc(Cl)c1 ZINC000020384685 171175344 /nfs/dbraw/zinc/17/53/44/171175344.db2.gz XAYKHQIKNJIMQW-MRXNPFEDSA-N 0 3 257.764 3.877 10 0 CHAEHN Cc1cc(CN[C@H]2CCCc3occc32)cc(C)c1O ZINC000020424335 171190856 /nfs/dbraw/zinc/19/08/56/171190856.db2.gz YAVOCKUBVGVWMC-HNNXBMFYSA-N 0 3 271.360 3.769 10 0 CHAEHN N[C@@H](Cc1ccccn1)c1ccc(Cl)cc1Cl ZINC000020429145 171194009 /nfs/dbraw/zinc/19/40/09/171194009.db2.gz LZVXCECUQKUXDU-ZDUSSCGKSA-N 0 3 267.159 3.631 10 0 CHAEHN NCc1c(Cl)cccc1Oc1ccccc1F ZINC000020470229 171212655 /nfs/dbraw/zinc/21/26/55/171212655.db2.gz IPZPBZXHYATSNX-UHFFFAOYSA-N 0 3 251.688 3.730 10 0 CHAEHN Cc1ccc([C@H](N)COc2ccccc2C)c(C)c1 ZINC000020552806 171248185 /nfs/dbraw/zinc/24/81/85/171248185.db2.gz QJPNOTAYCNQMJA-MRXNPFEDSA-N 0 3 255.361 3.691 10 0 CHAEHN CC(C)c1ccc(OC[C@@H](N)c2ccccc2)cc1 ZINC000020564194 171252903 /nfs/dbraw/zinc/25/29/03/171252903.db2.gz SJURMUUHQCVYRR-QGZVFWFLSA-N 0 3 255.361 3.889 10 0 CHAEHN N[C@@H]1c2ccccc2C[C@H]1Oc1ccccc1C(F)(F)F ZINC000020563858 171253061 /nfs/dbraw/zinc/25/30/61/171253061.db2.gz HAGRLYNELFYYBN-HUUCEWRRSA-N 0 3 293.288 3.709 10 0 CHAEHN CCNCc1cccc(OC)c1OCc1ccc(C)cc1 ZINC000020873951 171277482 /nfs/dbraw/zinc/27/74/82/171277482.db2.gz APAXWYZYRUSCPB-UHFFFAOYSA-N 0 3 285.387 3.692 10 0 CHAEHN Cc1ccc(O[C@H](C)[C@@H](N)c2ccc(C)cc2)cc1 ZINC000021014662 171289155 /nfs/dbraw/zinc/28/91/55/171289155.db2.gz KKPOKZMJHXQPTQ-RHSMWYFYSA-N 0 3 255.361 3.771 10 0 CHAEHN Cc1ccc(O[C@H](C)[C@@H](N)c2ccccc2)c(C)c1 ZINC000021503249 171306314 /nfs/dbraw/zinc/30/63/14/171306314.db2.gz QWCOIRNMZYSRKH-RHSMWYFYSA-N 0 3 255.361 3.771 10 0 CHAEHN Cc1ccc(O[C@@H](C)[C@H](N)c2ccccc2)cc1C ZINC000021507886 171308693 /nfs/dbraw/zinc/30/86/93/171308693.db2.gz ZYGLRYVDYMBSDX-YOEHRIQHSA-N 0 3 255.361 3.771 10 0 CHAEHN COc1ccc(OC[C@H](N)c2ccc(C(C)C)cc2)cc1 ZINC000021792252 171324106 /nfs/dbraw/zinc/32/41/06/171324106.db2.gz YCUVNDMHESAIRN-SFHVURJKSA-N 0 3 285.387 3.897 10 0 CHAEHN Cc1ccc(OC[C@H](N)c2ccccc2C)c(C)c1 ZINC000021809356 171328622 /nfs/dbraw/zinc/32/86/22/171328622.db2.gz BAPUWYCQPISTRV-INIZCTEOSA-N 0 3 255.361 3.691 10 0 CHAEHN Cc1cc(C)c([C@H](N)COc2ccccc2C)c(C)c1 ZINC000021819749 171334142 /nfs/dbraw/zinc/33/41/42/171334142.db2.gz IZENRYWOXRUKGE-MRXNPFEDSA-N 0 3 269.388 3.999 10 0 CHAEHN C[C@@H]1CCCCN1[C@@H](CN)c1cccc(C(F)(F)F)c1 ZINC000022219977 171377136 /nfs/dbraw/zinc/37/71/36/171377136.db2.gz VFGRLNOPWMGMHC-RISCZKNCSA-N 0 3 286.341 3.580 10 0 CHAEHN N[C@H]1c2ccccc2CCC[C@@H]1n1cnc2ccccc21 ZINC000022566320 171391630 /nfs/dbraw/zinc/39/16/30/171391630.db2.gz PQJNXJRFBMYEMX-ROUUACIJSA-N 0 3 277.371 3.614 10 0 CHAEHN CN1CCN([C@H]2C[C@H](c3ccccc3)c3ccccc32)CC1 ZINC000022778632 171398961 /nfs/dbraw/zinc/39/89/61/171398961.db2.gz PBNIVFQAAKTXAH-UXHICEINSA-N 0 3 292.426 3.511 10 0 CHAEHN CNCc1cnccc1Oc1ccc(Cl)cc1Cl ZINC000029048205 171584500 /nfs/dbraw/zinc/58/45/00/171584500.db2.gz MPTXQMSURVDICU-UHFFFAOYSA-N 0 3 283.158 3.900 10 0 CHAEHN CNCc1ccc(Oc2cccc(C)c2C)c(F)c1 ZINC000034664383 171852134 /nfs/dbraw/zinc/85/21/34/171852134.db2.gz URHDZQWFKKVQDH-UHFFFAOYSA-N 0 3 259.324 3.954 10 0 CHAEHN CNCc1c(Cl)cccc1Oc1ccc(F)cc1 ZINC000034664638 171852987 /nfs/dbraw/zinc/85/29/87/171852987.db2.gz PJTDPMUWRTZNLV-UHFFFAOYSA-N 0 3 265.715 3.991 10 0 CHAEHN CCN[C@@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000035189083 172043789 /nfs/dbraw/zinc/04/37/89/172043789.db2.gz JVRGDUJSUVCVFB-MRXNPFEDSA-N 0 3 257.402 3.936 10 0 CHAEHN CC(C)(C)NCc1cc(Cl)ccc1OC(F)F ZINC000035222795 172066523 /nfs/dbraw/zinc/06/65/23/172066523.db2.gz CMCJXWONSNRLSA-UHFFFAOYSA-N 0 3 263.715 3.830 10 0 CHAEHN C=COCCCNCc1cc(Cl)ccc1OC(F)F ZINC000035223622 172067980 /nfs/dbraw/zinc/06/79/80/172067980.db2.gz PZNOCURCOITXSK-UHFFFAOYSA-N 0 3 291.725 3.581 10 0 CHAEHN CCN(CC)C(=O)[C@H](C)N[C@@H](CC(C)C)c1ccccc1 ZINC000035224641 172068829 /nfs/dbraw/zinc/06/88/29/172068829.db2.gz TVBLEEZRJHUFTB-RDJZCZTQSA-N 0 3 290.451 3.620 10 0 CHAEHN COc1ccc([C@@H](N)c2sccc2C)cc1Cl ZINC000035381590 172164607 /nfs/dbraw/zinc/16/46/07/172164607.db2.gz GNNFMNHXHXKUCR-GFCCVEGCSA-N 0 3 267.781 3.767 10 0 CHAEHN Cc1ccsc1[C@H](N)c1cc2c(cc1Cl)OCCO2 ZINC000035381999 172164645 /nfs/dbraw/zinc/16/46/45/172164645.db2.gz ODHLVXCDVCMDEF-CYBMUJFWSA-N 0 3 295.791 3.529 10 0 CHAEHN CN[C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000035427482 172194799 /nfs/dbraw/zinc/19/47/99/172194799.db2.gz BVPHOCMXVMGTJN-VIFPVBQESA-N 0 3 251.276 3.722 10 0 CHAEHN CN[C@H](CC(F)(F)F)c1ccc2c(c1)CCCC2 ZINC000035460440 172209135 /nfs/dbraw/zinc/20/91/35/172209135.db2.gz UZGVXHCQCYQINO-CYBMUJFWSA-N 0 3 257.299 3.778 10 0 CHAEHN CN[C@@H](CC(F)(F)F)c1ccc2c(c1)CCCC2 ZINC000035460437 172209403 /nfs/dbraw/zinc/20/94/03/172209403.db2.gz UZGVXHCQCYQINO-ZDUSSCGKSA-N 0 3 257.299 3.778 10 0 CHAEHN CCc1ccc([C@@H](NC)c2cccc(OC)c2)s1 ZINC000035460977 172210077 /nfs/dbraw/zinc/21/00/77/172210077.db2.gz UQHNUSRCQSAPSP-HNNXBMFYSA-N 0 3 261.390 3.628 10 0 CHAEHN CN[C@H](c1ccccc1)c1ccc(OC)c(Cl)c1 ZINC000035461735 172210348 /nfs/dbraw/zinc/21/03/48/172210348.db2.gz LIUSDORZMIXBEI-OAHLLOKOSA-N 0 3 261.752 3.657 10 0 CHAEHN CN[C@@H](c1cc(C)oc1C)c1ccc(Br)cc1 ZINC000035462353 172211111 /nfs/dbraw/zinc/21/11/11/172211111.db2.gz FVAYXWOJOXLMFS-CQSZACIVSA-N 0 3 294.192 3.968 10 0 CHAEHN CCc1ccc([C@@H](NC)c2ccc(F)c(F)c2)cc1 ZINC000035494444 172227906 /nfs/dbraw/zinc/22/79/06/172227906.db2.gz OMDVRALQXPRCCG-MRXNPFEDSA-N 0 3 261.315 3.836 10 0 CHAEHN CN[C@H](c1cc(OC)c(OC)cc1Cl)C(C)(C)C ZINC000035501218 172235352 /nfs/dbraw/zinc/23/53/52/172235352.db2.gz BPHRVXCDOYRFTN-CYBMUJFWSA-N 0 3 271.788 3.664 10 0 CHAEHN CCN[C@H](c1ccc(OC)cc1)c1ccccc1C ZINC000035540891 172248061 /nfs/dbraw/zinc/24/80/61/172248061.db2.gz XUPARZDPLIGPIT-QGZVFWFLSA-N 0 3 255.361 3.703 10 0 CHAEHN CCN[C@@H](c1ccccc1C)c1ccc(F)cc1F ZINC000035547585 172255548 /nfs/dbraw/zinc/25/55/48/172255548.db2.gz FMZRHRUOJXSTPD-INIZCTEOSA-N 0 3 261.315 3.972 10 0 CHAEHN CCN[C@H](c1ccccc1)c1ccc(OC)c(F)c1 ZINC000035572120 172268063 /nfs/dbraw/zinc/26/80/63/172268063.db2.gz JWVGTXCWNYVLCB-MRXNPFEDSA-N 0 3 259.324 3.533 10 0 CHAEHN CCCN[C@@H](CC(F)(F)F)c1ccc(OC)cc1 ZINC000035576698 172273902 /nfs/dbraw/zinc/27/39/02/172273902.db2.gz BUSGGAKIWYHPLF-LBPRGKRZSA-N 0 3 261.287 3.688 10 0 CHAEHN CCCN[C@H](c1ccncc1)c1cc(C)ccc1C ZINC000035581602 172278083 /nfs/dbraw/zinc/27/80/83/172278083.db2.gz TXVPTAYUNHFVSX-QGZVFWFLSA-N 0 3 254.377 3.787 10 0 CHAEHN CN[C@@H]1COc2c1cc(-c1ccccc1)cc2Cl ZINC000035655070 172331180 /nfs/dbraw/zinc/33/11/80/172331180.db2.gz MRSCWUVWOVQYCX-CQSZACIVSA-N 0 3 259.736 3.660 10 0 CHAEHN Cc1ccc(Cl)c2c1[C@H](NC1CC1)CCCO2 ZINC000035657711 172332267 /nfs/dbraw/zinc/33/22/67/172332267.db2.gz IDUKNBNFRSUTSF-GFCCVEGCSA-N 0 3 251.757 3.614 10 0 CHAEHN CNCc1cc(Cl)cc(Cl)c1OCC(F)(F)F ZINC000035661958 172340487 /nfs/dbraw/zinc/34/04/87/172340487.db2.gz XAQVAWZNIYDHRI-UHFFFAOYSA-N 0 3 288.096 3.654 10 0 CHAEHN CN(Cc1ccsc1)[C@@H](CN)c1cccc(Cl)c1 ZINC000035718882 172372964 /nfs/dbraw/zinc/37/29/64/172372964.db2.gz NBZHUMUTDZNXCM-AWEZNQCLSA-N 0 3 280.824 3.533 10 0 CHAEHN CCN(C(C)C)[C@H](CN)c1c(Cl)cccc1Cl ZINC000037081986 172939439 /nfs/dbraw/zinc/93/94/39/172939439.db2.gz YFDXRHIUZFADJC-GFCCVEGCSA-N 0 3 275.223 3.724 10 0 CHAEHN CCCN(C(C)C)[C@@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000037335207 173137092 /nfs/dbraw/zinc/13/70/92/173137092.db2.gz PNAMVSFUJASBPG-HNNXBMFYSA-N 0 3 261.409 3.995 10 0 CHAEHN CC[C@H](C)c1ccc(N[C@@H]2CN3CCC2CC3)cc1 ZINC000037413368 173190402 /nfs/dbraw/zinc/19/04/02/173190402.db2.gz WOLVWZMMSQAXPR-SUMWQHHRSA-N 0 3 258.409 3.706 10 0 CHAEHN CC[C@H](N)c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440643 173210160 /nfs/dbraw/zinc/21/01/60/173210160.db2.gz YMUJDPRKEAWRQL-JTQLQIEISA-N 0 3 251.761 3.680 10 0 CHAEHN CCCn1c2ccc(Cl)cc2nc1[C@H](N)CC ZINC000037440518 173210233 /nfs/dbraw/zinc/21/02/33/173210233.db2.gz PKTRSSVUKGOQDO-SNVBAGLBSA-N 0 3 251.761 3.510 10 0 CHAEHN COc1ccc([C@@](C)(N)c2ccccc2Cl)cc1 ZINC000037529726 173252895 /nfs/dbraw/zinc/25/28/95/173252895.db2.gz LLXISDNNBJXGML-OAHLLOKOSA-N 0 3 261.752 3.571 10 0 CHAEHN CN[C@@H](CC1CCCC1)c1c(F)cc(OC)cc1F ZINC000037903490 173834602 /nfs/dbraw/zinc/83/46/02/173834602.db2.gz XHAHKKBVKOGBLI-AWEZNQCLSA-N 0 3 269.335 3.814 10 0 CHAEHN N[C@@H](c1cccc(Cl)c1)c1ccc2c(c1)CCCO2 ZINC000038057786 174067939 /nfs/dbraw/zinc/06/79/39/174067939.db2.gz INYABIDRZJCQPU-INIZCTEOSA-N 0 3 273.763 3.713 10 0 CHAEHN CC(C)Oc1ccc(-c2ccc(CN)c(F)c2)cc1 ZINC000038073450 174083464 /nfs/dbraw/zinc/08/34/64/174083464.db2.gz QBUOOCMLWBYJNK-UHFFFAOYSA-N 0 3 259.324 3.739 10 0 CHAEHN CCOc1cccc([C@H](N)c2ccccc2Cl)c1 ZINC000038078467 174088761 /nfs/dbraw/zinc/08/87/61/174088761.db2.gz DMWNZOVJSYTZRF-HNNXBMFYSA-N 0 3 261.752 3.787 10 0 CHAEHN C[C@H](NC[C@H](C)N(C)C)c1c(Cl)ccc(F)c1Cl ZINC000038088301 174101059 /nfs/dbraw/zinc/10/10/59/174101059.db2.gz WMQZFELNNOMYDY-IUCAKERBSA-N 0 3 293.213 3.733 10 0 CHAEHN CC[C@H](C)n1c2cc(Cl)ccc2nc1[C@@H](C)N ZINC000040408255 174253951 /nfs/dbraw/zinc/25/39/51/174253951.db2.gz MWADDADBYROWOS-DTWKUNHWSA-N 0 3 251.761 3.680 10 0 CHAEHN COc1cc(Cl)cc(CNCC(C)C)c1OC(C)C ZINC000040728325 174387675 /nfs/dbraw/zinc/38/76/75/174387675.db2.gz GBLLWNJRCZQOKI-UHFFFAOYSA-N 0 3 285.815 3.881 10 0 CHAEHN COc1cccc([C@H](N)c2c(F)cccc2Cl)c1 ZINC000041382523 174539960 /nfs/dbraw/zinc/53/99/60/174539960.db2.gz RITNZSACRDPTQS-AWEZNQCLSA-N 0 3 265.715 3.536 10 0 CHAEHN COc1cccc([C@@H](N)c2ccc(F)c(Cl)c2)c1 ZINC000041654613 174593348 /nfs/dbraw/zinc/59/33/48/174593348.db2.gz BKSXUCHTCVUQQX-CQSZACIVSA-N 0 3 265.715 3.536 10 0 CHAEHN NC[C@@H](Oc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000042973483 174937009 /nfs/dbraw/zinc/93/70/09/174937009.db2.gz ULQXIWACROBNPX-CQSZACIVSA-N 0 3 265.715 3.558 10 0 CHAEHN CN[C@H](Cc1c(Cl)cccc1Cl)c1cccnc1 ZINC000044267452 175157778 /nfs/dbraw/zinc/15/77/78/175157778.db2.gz ZMTFXUNMVBCMMQ-CQSZACIVSA-N 0 3 281.186 3.892 10 0 CHAEHN CCNCc1nc(-c2ccccc2Cl)cs1 ZINC000045206547 175328178 /nfs/dbraw/zinc/32/81/78/175328178.db2.gz WMEANBOPWWVODC-UHFFFAOYSA-N 0 3 252.770 3.573 10 0 CHAEHN CC[C@H](NC1=NC[C@H](C2CC2)S1)c1ccccc1 ZINC000071307929 176116443 /nfs/dbraw/zinc/11/64/43/176116443.db2.gz BZNPZKUJENBAEN-UONOGXRCSA-N 0 3 260.406 3.609 10 0 CHAEHN CN1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072357511 176376243 /nfs/dbraw/zinc/37/62/43/176376243.db2.gz BAFVYKRDRIOISR-QGZVFWFLSA-N 0 3 270.351 3.578 10 0 CHAEHN CCN(c1nc([C@@H](C)N)cs1)c1cccc(C)c1 ZINC000076735265 177075916 /nfs/dbraw/zinc/07/59/16/177075916.db2.gz FSFHYNYLXOMWRI-LLVKDONJSA-N 0 3 261.394 3.629 10 0 CHAEHN N[C@@H](CC(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000037030537 260063271 /nfs/dbraw/zinc/06/32/71/260063271.db2.gz RPURGFKCSQYBEK-AWEZNQCLSA-N 0 3 292.741 3.508 10 0 CHAEHN CCCC[C@H](CC)CN[C@H]1CC(=O)N(C)c2ccccc21 ZINC000037219623 260075408 /nfs/dbraw/zinc/07/54/08/260075408.db2.gz YFBJQFMMDBSJOZ-HOCLYGCPSA-N 0 3 288.435 3.900 10 0 CHAEHN CC(C)CCC[C@@H](C)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000037231894 260076678 /nfs/dbraw/zinc/07/66/78/260076678.db2.gz KCPYHBCHXUYBOV-ZBFHGGJFSA-N 0 3 288.435 3.899 10 0 CHAEHN Cc1cccc(CC[C@H](C)NCc2ncccc2C)c1 ZINC000071339978 260161647 /nfs/dbraw/zinc/16/16/47/260161647.db2.gz BOSWHVWOSDFHCF-INIZCTEOSA-N 0 3 268.404 3.809 10 0 CHAEHN CS[C@@H]1CC[C@@H]1N[C@@H](C)c1cccc(Cl)c1 ZINC000309877544 260196558 /nfs/dbraw/zinc/19/65/58/260196558.db2.gz UADBLGWRFDRULT-TVYUQYBPSA-N 0 3 255.814 3.885 10 0 CHAEHN Cc1noc(C)c1CNC1CC(c2cccc(Cl)c2)C1 ZINC000090736071 260261715 /nfs/dbraw/zinc/26/17/15/260261715.db2.gz YVVOJHBQKHOTPC-UHFFFAOYSA-N 0 3 290.794 3.981 10 0 CHAEHN CS[C@@H]1CC[C@@H]1N[C@H](C)c1ccc(F)c(F)c1 ZINC000361941129 266907728 /nfs/dbraw/zinc/90/77/28/266907728.db2.gz XGMBGCHWZGEEAL-OXHMUOHRSA-N 0 3 257.349 3.509 10 0 CHAEHN Fc1ccc(OCCN2CCC[C@@H]2c2ccco2)cc1 ZINC000116293014 267137755 /nfs/dbraw/zinc/13/77/55/267137755.db2.gz OUHRBDIVNJAKLC-OAHLLOKOSA-N 0 3 275.323 3.635 10 0 CHAEHN Cc1cccc(CNCCCCCOc2ccccc2)n1 ZINC000187674088 327719313 /nfs/dbraw/zinc/71/93/13/327719313.db2.gz BVKULDUQPFMVEO-UHFFFAOYSA-N 0 3 284.403 3.729 10 0 CHAEHN CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000037619869 326857347 /nfs/dbraw/zinc/85/73/47/326857347.db2.gz YTFXEILMUVFJJE-WMLDXEAASA-N 0 3 290.451 3.580 10 0 CHAEHN CCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000036959787 326878300 /nfs/dbraw/zinc/87/83/00/326878300.db2.gz GZCRXJSIKXJXKA-UONOGXRCSA-N 0 3 290.451 3.549 10 0 CHAEHN CCc1ccc(CN2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000172247991 329084222 /nfs/dbraw/zinc/08/42/22/329084222.db2.gz DEVFOIAOEMHCMV-SFHVURJKSA-N 0 3 283.419 3.591 10 0 CHAEHN O=C(c1ccc(Cl)cc1)C1CCN(C2CCC2)CC1 ZINC000178984452 329203488 /nfs/dbraw/zinc/20/34/88/329203488.db2.gz CNAXOKUQRXAJRX-UHFFFAOYSA-N 0 3 277.795 3.787 10 0 CHAEHN C[C@H](NC[C@H]1CCN(C)c2ccccc21)c1ccco1 ZINC000180014362 329214612 /nfs/dbraw/zinc/21/46/12/329214612.db2.gz CMAUVZHQZWLLRA-UONOGXRCSA-N 0 3 270.376 3.554 10 0 CHAEHN Cc1ccc([C@H]2CCCCN2Cc2ccc(CO)cc2)o1 ZINC000182808405 329242140 /nfs/dbraw/zinc/24/21/40/329242140.db2.gz RHVWQCWWOXCVHU-QGZVFWFLSA-N 0 3 285.387 3.808 10 0 CHAEHN Cc1cccc2nc(C3CCN(Cc4cc[nH]c4)CC3)oc21 ZINC000188884651 329374123 /nfs/dbraw/zinc/37/41/23/329374123.db2.gz YUPNLKCSZBGUNA-UHFFFAOYSA-N 0 3 295.386 3.844 10 0 CHAEHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cc(F)cc(F)c1 ZINC000248760645 329898844 /nfs/dbraw/zinc/89/88/44/329898844.db2.gz VYRDOYULOPHTPQ-UGGSBELWSA-N 0 3 293.357 3.573 10 0 CHAEHN CCn1nc(C)c([C@H](C)NCC2=CCCCC2)c1C ZINC000379586188 330139422 /nfs/dbraw/zinc/13/94/22/330139422.db2.gz IWKAULPFFWQVIO-LBPRGKRZSA-N 0 3 261.413 3.671 10 0 CHAEHN CCCn1ccc(CNCc2ccc(Cl)s2)c1 ZINC000091015857 330397958 /nfs/dbraw/zinc/39/79/58/330397958.db2.gz HAAUQBAHLNTOJH-UHFFFAOYSA-N 0 3 268.813 3.903 10 0 CHAEHN Cc1ccccc1[C@@H](NCC1(O)CCC1)c1ccccc1 ZINC000166051561 331306548 /nfs/dbraw/zinc/30/65/48/331306548.db2.gz PXIPESLWECVDLH-SFHVURJKSA-N 0 3 281.399 3.589 10 0 CHAEHN OC[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1Cl ZINC000219017445 333140137 /nfs/dbraw/zinc/14/01/37/333140137.db2.gz QBEUBUBNMFKNAG-BXUZGUMPSA-N 0 3 288.218 3.634 10 0 CHAEHN Cc1sccc1CN[C@@H](C)COCc1ccccc1 ZINC000339287741 335142948 /nfs/dbraw/zinc/14/29/48/335142948.db2.gz YQKFFNYLIFKDCZ-ZDUSSCGKSA-N 0 3 275.417 3.751 10 0 CHAEHN Cc1cnn(CCN[C@@H](C)c2ccc(-c3ccccc3)o2)c1 ZINC000124096759 333556064 /nfs/dbraw/zinc/55/60/64/333556064.db2.gz VFUVTYPHBRCBGL-HNNXBMFYSA-N 0 3 295.386 3.802 10 0 CHAEHN C[C@H](c1cccc(F)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248145341 334295955 /nfs/dbraw/zinc/29/59/55/334295955.db2.gz QCIQGPCLUAKKIO-KMFMINBZSA-N 0 3 277.383 3.514 10 0 CHAEHN Cc1cccc([C@@H](C)NCC(=O)Nc2ccccc2C)c1 ZINC000157292164 334766149 /nfs/dbraw/zinc/76/61/49/334766149.db2.gz YZPLEASRDZMTDC-OAHLLOKOSA-N 0 3 282.387 3.593 10 0 CHAEHN Oc1ccc2c(c1)[C@H](NCCOCc1ccccc1)CCC2 ZINC000361009466 335839180 /nfs/dbraw/zinc/83/91/80/335839180.db2.gz KJIAYERSCUOHDV-LJQANCHMSA-N 0 3 297.398 3.576 10 0 CHAEHN CC(C)CNCc1nc2ccccc2n1C(C)(C)C ZINC000062742438 519748728 /nfs/dbraw/zinc/74/87/28/519748728.db2.gz VSIQPKJXIHRLBU-UHFFFAOYSA-N 0 3 259.397 3.537 10 0 CHAEHN CCN[C@@H](C)c1ccc(-c2cccc(F)c2F)o1 ZINC000052924555 520074370 /nfs/dbraw/zinc/07/43/70/520074370.db2.gz BILYKTFSZYMUEM-VIFPVBQESA-N 0 3 251.276 3.895 10 0 CHAEHN CCC(C)(C)OCc1c2ccccc2oc1CNC ZINC000052630505 521360009 /nfs/dbraw/zinc/36/00/09/521360009.db2.gz HRNPUXWNMGAZKO-UHFFFAOYSA-N 0 3 261.365 3.857 10 0 CHAEHN CC(C)CNCc1ccc(CO[C@@H](C)CC(C)C)o1 ZINC000052603353 519746967 /nfs/dbraw/zinc/74/69/67/519746967.db2.gz ZFXUVUGCEUVGKV-AWEZNQCLSA-N 0 3 267.413 3.976 10 0 CHAEHN CCCC1CCN([C@H](CN)c2ccc(Cl)cc2)CC1 ZINC000050893059 519903094 /nfs/dbraw/zinc/90/30/94/519903094.db2.gz DNXFHHIFGQMVGR-MRXNPFEDSA-N 0 3 280.843 3.852 10 0 CHAEHN CC(C)n1c2c(cccc2Cl)nc1[C@@H](N)C1CC1 ZINC000054502121 519924862 /nfs/dbraw/zinc/92/48/62/519924862.db2.gz FHMPVJRSAIUQBD-LBPRGKRZSA-N 0 3 263.772 3.680 10 0 CHAEHN CCCNCc1nc(CO[C@H](C)CC(C)C)cs1 ZINC000052603058 519968995 /nfs/dbraw/zinc/96/89/95/519968995.db2.gz VLQIFTJSWVXNIF-GFCCVEGCSA-N 0 3 270.442 3.594 10 0 CHAEHN CCNCc1cccnc1Oc1ccccc1CC ZINC000051570932 520009974 /nfs/dbraw/zinc/00/99/74/520009974.db2.gz MMSCVLOGYSGJFC-UHFFFAOYSA-N 0 3 256.349 3.546 10 0 CHAEHN CCOCCOc1ccc(Cl)cc1CNCC(C)C ZINC000062730910 520039464 /nfs/dbraw/zinc/03/94/64/520039464.db2.gz RBALFORMFDAENU-UHFFFAOYSA-N 0 3 285.815 3.501 10 0 CHAEHN CCN[C@@H](C)c1ccc(F)cc1OCC=C(C)C ZINC000062746940 520075972 /nfs/dbraw/zinc/07/59/72/520075972.db2.gz YNRKHIKZDXPQSA-LBPRGKRZSA-N 0 3 251.345 3.841 10 0 CHAEHN CCN[C@@H](C)c1cnc(N2CCc3ccccc32)s1 ZINC000054899640 520079533 /nfs/dbraw/zinc/07/95/33/520079533.db2.gz PGUGXLFTQIFUHH-NSHDSACASA-N 0 3 273.405 3.508 10 0 CHAEHN CCN[C@H](c1cccc(Cl)c1)c1cncc(F)c1 ZINC000049576266 520210764 /nfs/dbraw/zinc/21/07/64/520210764.db2.gz NHYJIWDIMFOOMQ-CQSZACIVSA-N 0 3 264.731 3.573 10 0 CHAEHN CCOc1cccc(-c2nc(C)c(CNC3CC3)s2)c1 ZINC000052330902 521312542 /nfs/dbraw/zinc/31/25/42/521312542.db2.gz QGCNMLNIKZQFCA-UHFFFAOYSA-N 0 3 288.416 3.769 10 0 CHAEHN CCOc1cccc([C@H](N)c2ccc(F)c(C)c2)c1 ZINC000055205064 521423126 /nfs/dbraw/zinc/42/31/26/521423126.db2.gz QVGSHVCKFMZQQE-INIZCTEOSA-N 0 3 259.324 3.581 10 0 CHAEHN CNCc1ccoc1CO[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000052629233 522144358 /nfs/dbraw/zinc/14/43/58/522144358.db2.gz RGJNICXRDMZEFZ-TZMCWYRMSA-N 0 3 265.397 3.730 10 0 CHAEHN COc1ccc(-c2csc(CNCC(C)C)n2)cc1 ZINC000061799429 523164616 /nfs/dbraw/zinc/16/46/16/523164616.db2.gz FEULANLIYBVOIN-UHFFFAOYSA-N 0 3 276.405 3.564 10 0 CHAEHN CCc1cc(OCc2cc(CN)co2)ccc1Cl ZINC000052699790 523840399 /nfs/dbraw/zinc/84/03/99/523840399.db2.gz PPXIBLUOPNFGMS-UHFFFAOYSA-N 0 3 265.740 3.533 10 0 CHAEHN CCc1ccc(N(C)c2nc(C)c([C@@H](C)N)s2)cc1 ZINC000054897556 523959663 /nfs/dbraw/zinc/95/96/63/523959663.db2.gz MYJLIZKIICAJPB-SNVBAGLBSA-N 0 3 275.421 3.802 10 0 CHAEHN COc1ccc(Cl)c2nc(C)c(C(C)C)c(N)c12 ZINC000061687781 524189328 /nfs/dbraw/zinc/18/93/28/524189328.db2.gz ZOYKYELOMJOUCZ-UHFFFAOYSA-N 0 3 264.756 3.911 10 0 CHAEHN Cc1cc(CN[C@@H](C)c2sc(C)nc2C)c(C)n1C ZINC000052790413 524767381 /nfs/dbraw/zinc/76/73/81/524767381.db2.gz ATKVJIQJUMKTDV-JTQLQIEISA-N 0 3 277.437 3.566 10 0 CHAEHN Cc1cc(COCC(C)C)oc1CNC(C)(C)C ZINC000052622803 524804839 /nfs/dbraw/zinc/80/48/39/524804839.db2.gz LVKYRDHIXRFTLU-UHFFFAOYSA-N 0 3 253.386 3.649 10 0 CHAEHN Cc1ccccc1CN(C)c1cc(Cl)ccc1CN ZINC000062786819 525130395 /nfs/dbraw/zinc/13/03/95/525130395.db2.gz DXYRTWBJBZYJJG-UHFFFAOYSA-N 0 3 274.795 3.744 10 0 CHAEHN C[C@H](NCc1cccn1C)c1ccc(Cl)s1 ZINC000050595401 525464169 /nfs/dbraw/zinc/46/41/69/525464169.db2.gz BZUYWRDCZRLOHS-VIFPVBQESA-N 0 3 254.786 3.591 10 0 CHAEHN Cc1ccc(SCc2nc(NN)ccc2Cl)cc1C ZINC000061640083 525664640 /nfs/dbraw/zinc/66/46/40/525664640.db2.gz ZCOIOVZUELNKHB-UHFFFAOYSA-N 0 3 293.823 3.930 10 0 CHAEHN Cc1ccc([C@@H](N)Cc2ccc(C(F)(F)F)cc2)o1 ZINC000050518356 525766693 /nfs/dbraw/zinc/76/66/93/525766693.db2.gz XBRPCARZCQOOLX-LBPRGKRZSA-N 0 3 269.266 3.849 10 0 CHAEHN Fc1cccc(CN2CCC[C@@H](c3nccs3)C2)c1 ZINC000157007503 526383947 /nfs/dbraw/zinc/38/39/47/526383947.db2.gz ICQZVIBLNILPJS-CYBMUJFWSA-N 0 3 276.380 3.662 10 0 CHAEHN Cc1nc(C2CCCCC2)sc1CNC1CC1 ZINC000052330851 526776205 /nfs/dbraw/zinc/77/62/05/526776205.db2.gz BDTQEPVRLLMEBW-UHFFFAOYSA-N 0 3 250.411 3.751 10 0 CHAEHN Cc1nc(N2CCC(C(C)(C)C)CC2)sc1[C@@H](C)N ZINC000054896248 526963184 /nfs/dbraw/zinc/96/31/84/526963184.db2.gz JRELQQMDKAPROX-SNVBAGLBSA-N 0 3 281.469 3.734 10 0 CHAEHN NC[C@H](Oc1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000054932409 527228585 /nfs/dbraw/zinc/22/85/85/527228585.db2.gz PVZXLIXUXDDJDU-AWEZNQCLSA-N 0 3 283.705 3.697 10 0 CHAEHN NCc1ccoc1COc1cc(Cl)cc(Cl)c1 ZINC000052701042 527261426 /nfs/dbraw/zinc/26/14/26/527261426.db2.gz LCNIXEOBLJAAMK-UHFFFAOYSA-N 0 3 272.131 3.624 10 0 CHAEHN OC[C@@H](NCc1cccs1)c1csc2ccccc12 ZINC000054465914 527583209 /nfs/dbraw/zinc/58/32/09/527583209.db2.gz BKONVMHSVPNHKT-CQSZACIVSA-N 0 3 289.425 3.786 10 0 CHAEHN C[C@@H](CC(=O)[C@H]1[C@@H](C)C=CCC1(C)C)NCc1ccco1 ZINC000101649003 566878260 /nfs/dbraw/zinc/87/82/60/566878260.db2.gz HECRTIIJPYRXOR-GRDNDAEWSA-N 0 3 289.419 3.955 10 0 CHAEHN CC(C)c1nc(-c2ccccn2)sc1CNC1CC1 ZINC000082429779 178007506 /nfs/dbraw/zinc/00/75/06/178007506.db2.gz QQJICHUIFRVYDM-UHFFFAOYSA-N 0 3 273.405 3.581 10 0 CHAEHN NCc1sc(-c2ccc(Cl)cc2)nc1C1CC1 ZINC000082435547 178012625 /nfs/dbraw/zinc/01/26/25/178012625.db2.gz CQVJOUORVUEECU-UHFFFAOYSA-N 0 3 264.781 3.800 10 0 CHAEHN CSCc1nc(C(C)(C)C)c(CNC(C)C)s1 ZINC000082439590 178017564 /nfs/dbraw/zinc/01/75/64/178017564.db2.gz RQKVCRRNCLFUJF-UHFFFAOYSA-N 0 3 272.483 3.802 10 0 CHAEHN COc1ccc(Br)c2c1CCN[C@@H]2C(C)(C)C ZINC000105862595 186079794 /nfs/dbraw/zinc/07/97/94/186079794.db2.gz WXFJNNRZFVLNFX-ZDUSSCGKSA-N 0 3 298.224 3.691 10 0 CHAEHN N[C@@H](c1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000019968806 170951267 /nfs/dbraw/zinc/95/12/67/170951267.db2.gz MYRRBRUJXQFAEJ-CYBMUJFWSA-N 0 3 269.241 3.893 10 0 CHAEHN N[C@@H](c1ccc2c(c1)CCO2)c1ccc(Cl)cc1Cl ZINC000019971045 170954526 /nfs/dbraw/zinc/95/45/26/170954526.db2.gz VUAQOASXHDJZNQ-HNNXBMFYSA-N 0 3 294.181 3.976 10 0 CHAEHN C[C@H](N[C@@H](C)c1ccc2c(c1)CCC2)c1ccncc1 ZINC000020121816 171001148 /nfs/dbraw/zinc/00/11/48/171001148.db2.gz AVJQCVKFTOTAGJ-KBPBESRZSA-N 0 3 266.388 3.982 10 0 CHAEHN C[C@H](NCc1ccncc1)c1cccc(Br)c1 ZINC000020139803 171027311 /nfs/dbraw/zinc/02/73/11/171027311.db2.gz WQCHCQGZWNEEAC-NSHDSACASA-N 0 3 291.192 3.695 10 0 CHAEHN C[C@@H](N[C@@H](C)c1ccc(O)cc1)c1cccc(F)c1 ZINC000020147839 171035169 /nfs/dbraw/zinc/03/51/69/171035169.db2.gz VQCPAWMPWJCXCZ-NWDGAFQWSA-N 0 3 259.324 3.943 10 0 CHAEHN C[C@@H](NCc1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000020209650 171073194 /nfs/dbraw/zinc/07/31/94/171073194.db2.gz MXNOHPSJBUMTLU-LLVKDONJSA-N 0 3 261.752 3.896 10 0 CHAEHN CN(CCc1ccccc1)[C@@H](CN)c1ccccc1Cl ZINC000020225936 171090019 /nfs/dbraw/zinc/09/00/19/171090019.db2.gz ASWNCNDRUVFKJW-KRWDZBQOSA-N 0 3 288.822 3.514 10 0 CHAEHN CN(Cc1ccc(F)cc1)[C@@H](CN)c1ccc(Cl)cc1 ZINC000020226008 171090169 /nfs/dbraw/zinc/09/01/69/171090169.db2.gz ISKSWVUMLKXWQZ-INIZCTEOSA-N 0 3 292.785 3.611 10 0 CHAEHN CN(CC(C)(C)C)[C@H](CN)c1c(Cl)cccc1Cl ZINC000020226719 171091674 /nfs/dbraw/zinc/09/16/74/171091674.db2.gz RDSSMXKOSBZZQC-GFCCVEGCSA-N 0 3 289.250 3.971 10 0 CHAEHN N[C@H](c1ccc2c(c1)CCC2)c1cccc(Cl)c1 ZINC000020384680 171175470 /nfs/dbraw/zinc/17/54/70/171175470.db2.gz XAYKHQIKNJIMQW-INIZCTEOSA-N 0 3 257.764 3.877 10 0 CHAEHN Cc1ccsc1[C@@H](N)Cc1nc2ccccc2s1 ZINC000020428133 171193302 /nfs/dbraw/zinc/19/33/02/171193302.db2.gz ZYZDUPROTOMSPQ-JTQLQIEISA-N 0 3 274.414 3.909 10 0 CHAEHN NCc1ccccc1Oc1ccccc1Br ZINC000020469846 171211699 /nfs/dbraw/zinc/21/16/99/171211699.db2.gz QVXGEDFWCYJFQK-UHFFFAOYSA-N 0 3 278.149 3.700 10 0 CHAEHN CC(C)c1cccc(O[C@H]2COc3ccccc3[C@H]2N)c1 ZINC000020546447 171244039 /nfs/dbraw/zinc/24/40/39/171244039.db2.gz GQGOTYOCHLVRCI-ZWKOTPCHSA-N 0 3 283.371 3.650 10 0 CHAEHN Cc1ccc(O[C@@H]2CCCc3ccccc3[C@H]2N)cc1 ZINC000020547938 171245600 /nfs/dbraw/zinc/24/56/00/171245600.db2.gz BZHHXCZEVPQNKY-QZTJIDSGSA-N 0 3 267.372 3.779 10 0 CHAEHN Cc1cc(C)cc(OC[C@H](N)c2ccccc2C)c1 ZINC000020553608 171249437 /nfs/dbraw/zinc/24/94/37/171249437.db2.gz RIGWIGYBQIUFPG-KRWDZBQOSA-N 0 3 255.361 3.691 10 0 CHAEHN COc1ccc(OC[C@H](N)c2c(C)cc(C)cc2C)cc1 ZINC000020554822 171249615 /nfs/dbraw/zinc/24/96/15/171249615.db2.gz RBGZGTNTRNWCHH-KRWDZBQOSA-N 0 3 285.387 3.699 10 0 CHAEHN CCCOc1ccccc1CNCCc1ccc(OC)cc1 ZINC000020924505 171280075 /nfs/dbraw/zinc/28/00/75/171280075.db2.gz ZMGGSLJIHCXUEM-UHFFFAOYSA-N 0 3 299.414 3.816 10 0 CHAEHN Cc1ccc(O[C@@H](C)[C@H](N)c2ccc(C)cc2)cc1 ZINC000021014668 171289317 /nfs/dbraw/zinc/28/93/17/171289317.db2.gz KKPOKZMJHXQPTQ-YOEHRIQHSA-N 0 3 255.361 3.771 10 0 CHAEHN CCc1ccc([C@H](N)COC2CCC(C)CC2)cc1 ZINC000021500663 171304851 /nfs/dbraw/zinc/30/48/51/171304851.db2.gz IPARDVCTONVBGP-QWFMPGPPSA-N 0 3 261.409 3.844 10 0 CHAEHN Cc1ccc(O[C@H](C)[C@H](N)c2ccccc2)c(C)c1 ZINC000021503253 171306541 /nfs/dbraw/zinc/30/65/41/171306541.db2.gz QWCOIRNMZYSRKH-PBHICJAKSA-N 0 3 255.361 3.771 10 0 CHAEHN CC[C@@H]1CCCC[C@H]1OC[C@@H](N)c1ccc(C)cc1 ZINC000021508602 171309332 /nfs/dbraw/zinc/30/93/32/171309332.db2.gz REMOWKPXBYFBDZ-DJIMGWMZSA-N 0 3 261.409 3.980 10 0 CHAEHN Cc1ccc(OC[C@@H](N)c2ccc(C)c(C)c2)cc1C ZINC000021513604 171311553 /nfs/dbraw/zinc/31/15/53/171311553.db2.gz RIWLGLMGRPOHQN-GOSISDBHSA-N 0 3 269.388 3.999 10 0 CHAEHN CC(C)[C@@H](Oc1ccccc1F)[C@H](N)c1ccccc1 ZINC000021814136 171331369 /nfs/dbraw/zinc/33/13/69/171331369.db2.gz BXYMXBDTTRMTDG-IAGOWNOFSA-N 0 3 273.351 3.929 10 0 CHAEHN NCc1cccc(NC(=O)c2ccc3ccccc3c2)c1 ZINC000022147987 171357231 /nfs/dbraw/zinc/35/72/31/171357231.db2.gz QMCMBXVOUYCUPU-UHFFFAOYSA-N 0 3 276.339 3.551 10 0 CHAEHN Cc1cccc(NC(=O)Nc2ccccc2[C@H](C)N)c1 ZINC000022164375 171365169 /nfs/dbraw/zinc/36/51/69/171365169.db2.gz STMLZPPYIBOLSK-LBPRGKRZSA-N 0 3 269.348 3.659 10 0 CHAEHN Cc1cc(Oc2cc(CN)ccn2)ccc1C(C)C ZINC000022222630 171378602 /nfs/dbraw/zinc/37/86/02/171378602.db2.gz QFFZRCSZUPZROV-UHFFFAOYSA-N 0 3 256.349 3.764 10 0 CHAEHN CN(C)C1(c2ccc(Cl)c(Cl)c2)CCC(=O)CC1 ZINC000027433312 171517351 /nfs/dbraw/zinc/51/73/51/171517351.db2.gz LBJMSHMOGAFVLE-UHFFFAOYSA-N 0 3 286.202 3.893 10 0 CHAEHN COc1cccc(Nc2cc(C)nc(C)c2[C@@H](C)O)c1 ZINC000027523407 171519272 /nfs/dbraw/zinc/51/92/72/171519272.db2.gz XULJZUMVXCETOS-GFCCVEGCSA-N 0 3 272.348 3.504 10 0 CHAEHN CCN(CC)C(=O)[C@@H](C)N[C@@H](CC(C)C)c1ccccc1 ZINC000035224640 172068428 /nfs/dbraw/zinc/06/84/28/172068428.db2.gz TVBLEEZRJHUFTB-WBVHZDCISA-N 0 3 290.451 3.620 10 0 CHAEHN COc1ccc([C@@H](N)c2ccc(F)cc2Cl)cc1F ZINC000035424188 172192598 /nfs/dbraw/zinc/19/25/98/172192598.db2.gz IEDJFMXHELKUFO-CQSZACIVSA-N 0 3 283.705 3.675 10 0 CHAEHN CN[C@H](c1ccc(C)s1)c1ccc(F)c(F)c1 ZINC000035459003 172208075 /nfs/dbraw/zinc/20/80/75/172208075.db2.gz PSEPKKPCYXLPOS-ZDUSSCGKSA-N 0 3 253.317 3.644 10 0 CHAEHN CN[C@@H](c1occc1C)c1ccc2c(c1)CCCC2 ZINC000035459985 172209412 /nfs/dbraw/zinc/20/94/12/172209412.db2.gz IEXVFNZLYGBECT-MRXNPFEDSA-N 0 3 255.361 3.776 10 0 CHAEHN CCOc1ccc([C@H](NC)c2sccc2C)cc1 ZINC000035466378 172213704 /nfs/dbraw/zinc/21/37/04/172213704.db2.gz DNGSCFHWAKLJCE-AWEZNQCLSA-N 0 3 261.390 3.764 10 0 CHAEHN CN[C@@H](c1ccc(C)cc1C)c1ccccc1OC ZINC000035468237 172217945 /nfs/dbraw/zinc/21/79/45/172217945.db2.gz VOYUFCCFOMCDLV-KRWDZBQOSA-N 0 3 255.361 3.621 10 0 CHAEHN CN[C@H](c1cc2c(s1)CCC2)c1ccc(F)c(F)c1 ZINC000035494146 172227704 /nfs/dbraw/zinc/22/77/04/172227704.db2.gz MPEWBYLSSVVRHC-HNNXBMFYSA-N 0 3 279.355 3.824 10 0 CHAEHN CN[C@@H](c1cc(C)sc1C)c1ccccc1OC ZINC000035497742 172231414 /nfs/dbraw/zinc/23/14/14/172231414.db2.gz QWIWLELYKDQRQD-OAHLLOKOSA-N 0 3 261.390 3.682 10 0 CHAEHN CN[C@@H](c1ccccc1)c1ccc(OC(C)C)cc1 ZINC000035498641 172232272 /nfs/dbraw/zinc/23/22/72/172232272.db2.gz FXGIRSYIDXQMCX-KRWDZBQOSA-N 0 3 255.361 3.783 10 0 CHAEHN CN[C@@H](c1cc(OC)c(OC)cc1Cl)C(C)(C)C ZINC000035501219 172235501 /nfs/dbraw/zinc/23/55/01/172235501.db2.gz BPHRVXCDOYRFTN-ZDUSSCGKSA-N 0 3 271.788 3.664 10 0 CHAEHN CCOc1ccc(Br)cc1[C@@H](NC)[C@@H]1C[C@@H]1C ZINC000035505973 172239088 /nfs/dbraw/zinc/23/90/88/172239088.db2.gz OYZVPEICUQOMOA-PXWWUCIGSA-N 0 3 298.224 3.764 10 0 CHAEHN CCCC[C@@H](NCC)c1cc(OC)ccc1OC ZINC000035541410 172248381 /nfs/dbraw/zinc/24/83/81/172248381.db2.gz CBFBVCNNBWQLJM-CQSZACIVSA-N 0 3 251.370 3.545 10 0 CHAEHN CCN[C@@H](c1cccs1)c1cncc(Br)c1 ZINC000035545362 172253614 /nfs/dbraw/zinc/25/36/14/172253614.db2.gz CKMSPSQHRXCROL-GFCCVEGCSA-N 0 3 297.221 3.605 10 0 CHAEHN CCN[C@H](CCC(C)C)c1cc(F)ccc1OC ZINC000035554477 172261275 /nfs/dbraw/zinc/26/12/75/172261275.db2.gz BPYBOHKOQZYYQS-CQSZACIVSA-N 0 3 253.361 3.921 10 0 CHAEHN CCN[C@H](c1cccs1)c1ccc(OC)c(F)c1 ZINC000035572080 172268081 /nfs/dbraw/zinc/26/80/81/172268081.db2.gz NTXKTNYVPZJYSU-AWEZNQCLSA-N 0 3 265.353 3.595 10 0 CHAEHN CCN[C@@H](c1cccs1)c1ccc(OC)c(F)c1 ZINC000035572082 172268537 /nfs/dbraw/zinc/26/85/37/172268537.db2.gz NTXKTNYVPZJYSU-CQSZACIVSA-N 0 3 265.353 3.595 10 0 CHAEHN CCCN[C@@H](CC)c1cc2c(cc1Cl)OCCO2 ZINC000035584747 172284323 /nfs/dbraw/zinc/28/43/23/172284323.db2.gz QRFSHEYYUONFFP-LBPRGKRZSA-N 0 3 269.772 3.562 10 0 CHAEHN CCC(C)(C)c1ccc2c(c1)[C@@H](NC1CC1)CCO2 ZINC000035653562 172330472 /nfs/dbraw/zinc/33/04/72/172330472.db2.gz OQUSECLDBUDXRM-HNNXBMFYSA-N 0 3 259.393 3.950 10 0 CHAEHN CC(C)N[C@H]1CCOc2c(Cl)ccc(Cl)c21 ZINC000035654243 172330792 /nfs/dbraw/zinc/33/07/92/172330792.db2.gz UNQKVRWESTXLRE-JTQLQIEISA-N 0 3 260.164 3.815 10 0 CHAEHN CN(Cc1ccco1)[C@@H](CN)c1c(Cl)cccc1Cl ZINC000035701080 172369024 /nfs/dbraw/zinc/36/90/24/172369024.db2.gz MUMOAHXRJACLQJ-ZDUSSCGKSA-N 0 3 299.201 3.718 10 0 CHAEHN CN(Cc1cccs1)[C@@H](CN)c1cccc(Cl)c1 ZINC000035717032 172371545 /nfs/dbraw/zinc/37/15/45/172371545.db2.gz NYRCDBCTBZHCBJ-AWEZNQCLSA-N 0 3 280.824 3.533 10 0 CHAEHN CN(Cc1ccsc1)[C@H](CN)c1ccc(Cl)s1 ZINC000035718960 172372895 /nfs/dbraw/zinc/37/28/95/172372895.db2.gz YWMQJSYFLXBCFU-SNVBAGLBSA-N 0 3 286.853 3.595 10 0 CHAEHN C[C@@H](N)c1c(F)cccc1N(C)Cc1ccsc1 ZINC000035719362 172374267 /nfs/dbraw/zinc/37/42/67/172374267.db2.gz SPIFPLHHIKGSDO-SNVBAGLBSA-N 0 3 264.369 3.543 10 0 CHAEHN CCCN(c1ccc(F)cc1CNC(C)C)C1CC1 ZINC000037236656 173054396 /nfs/dbraw/zinc/05/43/96/173054396.db2.gz TZVGVEDMRWPSMI-UHFFFAOYSA-N 0 3 264.388 3.703 10 0 CHAEHN CCN(Cc1ccccc1)[C@H](CN)c1ccc(C)s1 ZINC000037328325 173128752 /nfs/dbraw/zinc/12/87/52/173128752.db2.gz HSPRYMQONBUVPL-OAHLLOKOSA-N 0 3 274.433 3.578 10 0 CHAEHN N[C@H](CC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000037378408 173166149 /nfs/dbraw/zinc/16/61/49/173166149.db2.gz RCOFBUUJQYYACV-MRVPVSSYSA-N 0 3 258.070 3.946 10 0 CHAEHN CSCC[C@@H](N)c1nc2cc(C)ccc2n1C(C)C ZINC000037438530 173208835 /nfs/dbraw/zinc/20/88/35/173208835.db2.gz LEJZGHCFYMVHPZ-GFCCVEGCSA-N 0 3 277.437 3.679 10 0 CHAEHN CC[C@@H](C)[C@H](N)c1nc2cc(F)ccc2n1C(C)C ZINC000037439739 173209429 /nfs/dbraw/zinc/20/94/29/173209429.db2.gz NZAYMQPRHSHBNT-YGRLFVJLSA-N 0 3 263.360 3.802 10 0 CHAEHN CCCC[C@H](N)c1nc2cc(Br)ccc2n1C ZINC000037441303 173211307 /nfs/dbraw/zinc/21/13/07/173211307.db2.gz TVKCQKVNIDPRJE-JTQLQIEISA-N 0 3 296.212 3.526 10 0 CHAEHN Cc1ccc(CN[C@H](C)Cc2c(F)cccc2F)o1 ZINC000037775984 173707667 /nfs/dbraw/zinc/70/76/67/173707667.db2.gz DTJTUPNEYIZCLG-SNVBAGLBSA-N 0 3 265.303 3.587 10 0 CHAEHN N[C@@H](c1nc2ccccc2n1C1CC1)C1CCCCC1 ZINC000038036776 174035787 /nfs/dbraw/zinc/03/57/87/174035787.db2.gz ZWILICGLQSRDKC-MRXNPFEDSA-N 0 3 269.392 3.951 10 0 CHAEHN NCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F ZINC000038070898 174081808 /nfs/dbraw/zinc/08/18/08/174081808.db2.gz FEZDNOAUAGSCNX-UHFFFAOYSA-N 0 3 269.241 3.970 10 0 CHAEHN CCNCc1ccc(-c2cc(F)ccc2F)cc1F ZINC000038072262 174082499 /nfs/dbraw/zinc/08/24/99/174082499.db2.gz OCZCJTGRDVYRRL-UHFFFAOYSA-N 0 3 265.278 3.880 10 0 CHAEHN C[C@H](O[C@@H]1CCC[C@H](C)C1)[C@H](N)c1ccc(F)cc1 ZINC000040177319 174202025 /nfs/dbraw/zinc/20/20/25/174202025.db2.gz FVLGVLKCSOIUGD-RKLWJJNISA-N 0 3 265.372 3.809 10 0 CHAEHN C[C@H]1CCC[C@H](OC[C@H](N)c2cc(F)ccc2F)C1 ZINC000040177346 174202280 /nfs/dbraw/zinc/20/22/80/174202280.db2.gz HIGAIENNXPVYSK-WBIUFABUSA-N 0 3 269.335 3.560 10 0 CHAEHN CCCOc1c(CNC(C)C)cc(Cl)cc1OC ZINC000040722213 174385281 /nfs/dbraw/zinc/38/52/81/174385281.db2.gz HIYCVURGEWBSDH-UHFFFAOYSA-N 0 3 271.788 3.635 10 0 CHAEHN NC[C@@H](OC1CCCCC1)c1ccccc1Cl ZINC000043053412 174961029 /nfs/dbraw/zinc/96/10/29/174961029.db2.gz NNIRSYPTFDFZHX-CQSZACIVSA-N 0 3 253.773 3.689 10 0 CHAEHN CCCC[C@H](CC)Cn1nc(C)c(CNCC)c1C ZINC000043456080 175049981 /nfs/dbraw/zinc/04/99/81/175049981.db2.gz FJTUBIOSBCWYAV-HNNXBMFYSA-N 0 3 265.445 3.826 10 0 CHAEHN CCCOc1ccc2c(c1)OC(C)(C)C[C@@H]2NCC ZINC000043460382 175050954 /nfs/dbraw/zinc/05/09/54/175050954.db2.gz GNCJSXOGZXWZKN-AWEZNQCLSA-N 0 3 263.381 3.687 10 0 CHAEHN CCN[C@H](C(=O)c1ccc(C(C)(C)C)cc1)C(C)C ZINC000071587894 176215713 /nfs/dbraw/zinc/21/57/13/176215713.db2.gz RVAMGYCRHUAKOF-HNNXBMFYSA-N 0 3 261.409 3.801 10 0 CHAEHN CC(C)(C)C[C@@H](N)c1cc(Br)cs1 ZINC000071588415 176216635 /nfs/dbraw/zinc/21/66/35/176216635.db2.gz QSVWYOWONVCQCY-MRVPVSSYSA-N 0 3 262.216 3.947 10 0 CHAEHN CN1C[C@@H]2CCC[C@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC000072142461 176323574 /nfs/dbraw/zinc/32/35/74/176323574.db2.gz RCJIOMDJRBCHJE-SMDDNHRTSA-N 0 3 270.203 3.977 10 0 CHAEHN CCN[C@@H](C)c1csc(-c2ccc(OCC)cc2)n1 ZINC000076732291 177073474 /nfs/dbraw/zinc/07/34/74/177073474.db2.gz HXZLHDSSEBUXPU-NSHDSACASA-N 0 3 276.405 3.879 10 0 CHAEHN CCc1ccc2oc(CNC(C)C)c(COC)c2c1 ZINC000077070745 177186708 /nfs/dbraw/zinc/18/67/08/177186708.db2.gz ZFDQYWRQGIMOLK-UHFFFAOYSA-N 0 3 261.365 3.640 10 0 CHAEHN COc1ccccc1NC1CCN(CC=C(C)C)CC1 ZINC000037189237 260073504 /nfs/dbraw/zinc/07/35/04/260073504.db2.gz NKSHYJUZPCKHOK-UHFFFAOYSA-N 0 3 274.408 3.538 10 0 CHAEHN FC1(F)CCC[C@H](N[C@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000330206459 228065996 /nfs/dbraw/zinc/06/59/96/228065996.db2.gz DGLLMAQNVMEVIW-STQMWFEESA-N 0 3 298.381 3.594 10 0 CHAEHN FC1(F)CCC[C@H](N[C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000330206459 228065998 /nfs/dbraw/zinc/06/59/98/228065998.db2.gz DGLLMAQNVMEVIW-STQMWFEESA-N 0 3 298.381 3.594 10 0 CHAEHN CCn1cccc1CN[C@H](C)c1ccc(F)c(F)c1 ZINC000091023683 260265077 /nfs/dbraw/zinc/26/50/77/260265077.db2.gz DCHYPYQMUHSBBZ-LLVKDONJSA-N 0 3 264.319 3.637 10 0 CHAEHN C[C@@H](C(=O)Nc1ccc(Cl)cc1)[C@@H](N)c1ccccc1 ZINC000130061160 260392529 /nfs/dbraw/zinc/39/25/29/260392529.db2.gz KASDETJVKDTFKL-IAQYHMDHSA-N 0 3 288.778 3.615 10 0 CHAEHN C[C@@H]1CC[C@@H](NCc2cccn2C)c2ccccc21 ZINC000154175492 261088650 /nfs/dbraw/zinc/08/86/50/261088650.db2.gz CLSVXGKZFZIFCD-CXAGYDPISA-N 0 3 254.377 3.753 10 0 CHAEHN CCc1nccn1[C@H]1CCCN(Cc2cccc(C)c2)C1 ZINC000106215477 261323599 /nfs/dbraw/zinc/32/35/99/261323599.db2.gz NTYQCMYQTWFPOH-KRWDZBQOSA-N 0 3 283.419 3.591 10 0 CHAEHN CCc1ccc([C@H](C)N[C@H](CN(C)C)c2ccccc2)o1 ZINC000163874157 261332932 /nfs/dbraw/zinc/33/29/32/261332932.db2.gz OIVMDLMGKIAXEU-WMLDXEAASA-N 0 3 286.419 3.796 10 0 CHAEHN Cc1ccnc(N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000301664132 261340254 /nfs/dbraw/zinc/34/02/54/261340254.db2.gz VUYUOKLOCWPNQN-SJLPKXTDSA-N 0 3 295.430 3.855 10 0 CHAEHN Cc1ccc([C@H](C)N[C@H](C)COCc2ccccc2)o1 ZINC000178066536 261375678 /nfs/dbraw/zinc/37/56/78/261375678.db2.gz VYGMXBGBAYRGGF-HIFRSBDPSA-N 0 3 273.376 3.844 10 0 CHAEHN Cc1cn[nH]c1CN[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000289746874 263111914 /nfs/dbraw/zinc/11/19/14/263111914.db2.gz FEOZLKUSMHWQLV-ZDUSSCGKSA-N 0 3 271.408 3.866 10 0 CHAEHN CCO[C@@H]1C[C@@H](N(C)Cc2cncc(C)c2)C12CCCC2 ZINC000189956680 264337965 /nfs/dbraw/zinc/33/79/65/264337965.db2.gz ZMNVTASBGXTFSF-IAGOWNOFSA-N 0 3 288.435 3.560 10 0 CHAEHN C[C@@H](NC1CC(c2ccccc2Cl)C1)c1ncc[nH]1 ZINC000139017158 328101483 /nfs/dbraw/zinc/10/14/83/328101483.db2.gz ZXVJVYTYRZNOKB-VOMCLLRMSA-N 0 3 275.783 3.660 10 0 CHAEHN C[C@H](NCC1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1F ZINC000280898564 328236821 /nfs/dbraw/zinc/23/68/21/328236821.db2.gz BKTDAANJQZNRRT-UTUOFQBUSA-N 0 3 283.362 3.819 10 0 CHAEHN COc1ccccc1C1CC(NCc2ccccc2F)C1 ZINC000036842506 326828993 /nfs/dbraw/zinc/82/89/93/326828993.db2.gz JWAOQCGIZOYVBC-UHFFFAOYSA-N 0 3 285.362 3.870 10 0 CHAEHN O[C@@H]1CCCC[C@@H]1CNCc1cc(Cl)ccc1Cl ZINC000087759505 327006580 /nfs/dbraw/zinc/00/65/80/327006580.db2.gz VQIXBYHJNYKAGL-QMTHXVAHSA-N 0 3 288.218 3.634 10 0 CHAEHN COc1ccc2c(c1)[C@@H](N[C@H]1CCc3ccccc31)CC2 ZINC000092835531 327104075 /nfs/dbraw/zinc/10/40/75/327104075.db2.gz XTWSKYZFEYFMAF-OALUTQOASA-N 0 3 279.383 3.960 10 0 CHAEHN CCC[C@H](N[C@@H](C)c1ncc(C)o1)C1CCCC1 ZINC000313421067 327128755 /nfs/dbraw/zinc/12/87/55/327128755.db2.gz DKOBYAZYYVWDGE-JSGCOSHPSA-N 0 3 250.386 3.993 10 0 CHAEHN c1cc(C2CCN(Cc3cc4ccccc4o3)CC2)n[nH]1 ZINC000178523720 329197951 /nfs/dbraw/zinc/19/79/51/329197951.db2.gz REVUBYDGQGWGBD-UHFFFAOYSA-N 0 3 281.359 3.536 10 0 CHAEHN Cc1nccn1C[C@H]1CCCN1Cc1ccc(Cl)s1 ZINC000178321407 329198652 /nfs/dbraw/zinc/19/86/52/329198652.db2.gz AHCKFSDBLCWTST-GFCCVEGCSA-N 0 3 295.839 3.571 10 0 CHAEHN C[C@H](NC1CCN(c2cccs2)CC1)c1ccoc1 ZINC000178430380 329200041 /nfs/dbraw/zinc/20/00/41/329200041.db2.gz WVBPBWHSOLQHEI-LBPRGKRZSA-N 0 3 276.405 3.661 10 0 CHAEHN COCCC[C@@H](C)N[C@@H](c1ccccc1)c1cccnc1 ZINC000178612455 329201261 /nfs/dbraw/zinc/20/12/61/329201261.db2.gz VCRICXUQRSJHMC-QAPCUYQASA-N 0 3 284.403 3.576 10 0 CHAEHN C[C@H](NC[C@@H]1CCN(C)c2ccccc21)c1ccco1 ZINC000180014332 329214644 /nfs/dbraw/zinc/21/46/44/329214644.db2.gz CMAUVZHQZWLLRA-KBPBESRZSA-N 0 3 270.376 3.554 10 0 CHAEHN Cc1csc(C2CCN(C[C@@H]3CCC(C)(C)O3)CC2)n1 ZINC000184667061 329261908 /nfs/dbraw/zinc/26/19/08/329261908.db2.gz FZIRQJDYOAKVQN-AWEZNQCLSA-N 0 3 294.464 3.589 10 0 CHAEHN Cn1cc([C@@H]2CCCN2CCCCc2ccccc2)cn1 ZINC000186947039 329350519 /nfs/dbraw/zinc/35/05/19/329350519.db2.gz NQVPEHXAHBXKAM-SFHVURJKSA-N 0 3 283.419 3.580 10 0 CHAEHN Fc1cc(Cl)ccc1CN1CCC(c2ccn[nH]2)CC1 ZINC000188988865 329374684 /nfs/dbraw/zinc/37/46/84/329374684.db2.gz TUEIRZNLVFTWCC-UHFFFAOYSA-N 0 3 293.773 3.582 10 0 CHAEHN C[C@H]1C[C@@H]1NCc1ccc(Cl)cc1Br ZINC000149770270 329404387 /nfs/dbraw/zinc/40/43/87/329404387.db2.gz PWHSRTBVZSDXFN-CPCISQLKSA-N 0 3 274.589 3.601 10 0 CHAEHN Cc1cccc([C@H](C)N[C@@H]2c3ccccc3C[C@H]2O)c1C ZINC000247184318 329877296 /nfs/dbraw/zinc/87/72/96/329877296.db2.gz UBNMQOXEAHVBFN-GDIGMMSISA-N 0 3 281.399 3.612 10 0 CHAEHN C[C@@H](NCc1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000087758691 330374223 /nfs/dbraw/zinc/37/42/23/330374223.db2.gz JVOUQBAWEWVCCO-RNCFNFMXSA-N 0 3 274.191 3.651 10 0 CHAEHN CCCn1ccc(CNCc2cccc(Cl)c2)c1 ZINC000091013313 330397888 /nfs/dbraw/zinc/39/78/88/330397888.db2.gz AYWJDXCHUMPEMP-UHFFFAOYSA-N 0 3 262.784 3.841 10 0 CHAEHN C(=C\c1ccccc1)\CN[C@@H]1CCOc2ccccc21 ZINC000220692011 333168463 /nfs/dbraw/zinc/16/84/63/333168463.db2.gz LBXYAVKWNXXNPN-UXHZXRBQSA-N 0 3 265.356 3.813 10 0 CHAEHN CCCn1cc(CN[C@@H](C)c2ccc(C)cc2C)cn1 ZINC000227284466 333279737 /nfs/dbraw/zinc/27/97/37/333279737.db2.gz UURRSUQWFABGEB-HNNXBMFYSA-N 0 3 271.408 3.761 10 0 CHAEHN COc1ccc2c(c1)C[C@H](N[C@@H](C)c1ccc(C)o1)CC2 ZINC000129485210 333770248 /nfs/dbraw/zinc/77/02/48/333770248.db2.gz JFFYQBNJGYBGNX-XJKSGUPXSA-N 0 3 285.387 3.805 10 0 CHAEHN c1ccc(C2CC(N[C@@H]3COc4ccccc43)C2)cc1 ZINC000070528783 333814846 /nfs/dbraw/zinc/81/48/46/333814846.db2.gz DAEDBUINOGNGSC-VMBOVVBDSA-N 0 3 265.356 3.656 10 0 CHAEHN CCCC(=O)N[C@@H]1CCCN([C@H](CC)c2ccccc2)C1 ZINC000245199137 334184653 /nfs/dbraw/zinc/18/46/53/334184653.db2.gz BMRYWXOSHJQJSC-IAGOWNOFSA-N 0 3 288.435 3.518 10 0 CHAEHN CCN1CCC[C@H](N[C@H](C)c2csc(Cl)c2)C1 ZINC000248690439 334313440 /nfs/dbraw/zinc/31/34/40/334313440.db2.gz IYHLKBDCMSNSBD-PWSUYJOCSA-N 0 3 272.845 3.536 10 0 CHAEHN C[C@H](c1ccccc1Cl)N1CCN2CCCC[C@H]2C1 ZINC000251595456 334365139 /nfs/dbraw/zinc/36/51/39/334365139.db2.gz YJLFCNKGDBWGBH-KGLIPLIRSA-N 0 3 278.827 3.571 10 0 CHAEHN CC[C@H](C)C[C@H](C)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000251751177 334368749 /nfs/dbraw/zinc/36/87/49/334368749.db2.gz GYFRJTFKVOZKNG-YDHLFZDLSA-N 0 3 274.408 3.509 10 0 CHAEHN CC(C)(C)NCc1cnc(Cc2cccc(F)c2)s1 ZINC000052331499 518767254 /nfs/dbraw/zinc/76/72/54/518767254.db2.gz NTUYZUZBICPLBX-UHFFFAOYSA-N 0 3 278.396 3.761 10 0 CHAEHN CC(C)C[C@@H](CN(C)C)Nc1ncc(Cl)cc1Cl ZINC000049558263 519776279 /nfs/dbraw/zinc/77/62/79/519776279.db2.gz BLUIQZNQYGEKKF-NSHDSACASA-N 0 3 290.238 3.777 10 0 CHAEHN CC1CCC(N(C)c2ccc(Cl)cc2CN)CC1 ZINC000052857122 520936784 /nfs/dbraw/zinc/93/67/84/520936784.db2.gz CIYXWUXXJRWRIW-UHFFFAOYSA-N 0 3 266.816 3.814 10 0 CHAEHN CC[C@@H](C)CNCc1ccc(CSC(F)F)o1 ZINC000054468272 521996147 /nfs/dbraw/zinc/99/61/47/521996147.db2.gz JYSDCYRRWIHXBN-SECBINFHSA-N 0 3 263.353 3.871 10 0 CHAEHN CC[C@@H](C)Oc1c(CNC(C)(C)C)cccc1OC ZINC000062732205 522255653 /nfs/dbraw/zinc/25/56/53/522255653.db2.gz DWMOEGAKZIUOPW-GFCCVEGCSA-N 0 3 265.397 3.761 10 0 CHAEHN CN[C@@H](C)c1cnc(N2CCC[C@@H]2C2CCCC2)s1 ZINC000054907456 522337776 /nfs/dbraw/zinc/33/77/76/522337776.db2.gz UXWAJDNCOAOQRW-WCQYABFASA-N 0 3 279.453 3.583 10 0 CHAEHN CCc1nc(N(C)c2ccc(C)cc2)sc1CNC ZINC000054999784 522381019 /nfs/dbraw/zinc/38/10/19/522381019.db2.gz IRYSRMCAAXMDCE-UHFFFAOYSA-N 0 3 275.421 3.501 10 0 CHAEHN CC(C)NCc1cnn(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000054719689 519728441 /nfs/dbraw/zinc/72/84/41/519728441.db2.gz LGSHEWHIWYVYAA-UHFFFAOYSA-N 0 3 298.217 3.736 10 0 CHAEHN CC(C)[C@H]1CCc2nc([C@@H]3CCCCN3)sc2C1 ZINC000054556894 519826076 /nfs/dbraw/zinc/82/60/76/519826076.db2.gz ODEWLEPAFFSKES-AAEUAGOBSA-N 0 3 264.438 3.719 10 0 CHAEHN CCCNCc1ccc(CO[C@@H](C)CC(C)C)o1 ZINC000052603336 519949537 /nfs/dbraw/zinc/94/95/37/519949537.db2.gz LJGAYZQAIVTGAO-ZDUSSCGKSA-N 0 3 253.386 3.730 10 0 CHAEHN CCNCc1cc(Cl)ccc1OC[C@H](C)CC ZINC000050423634 519990158 /nfs/dbraw/zinc/99/01/58/519990158.db2.gz SGQVMEWFSUNFNB-LLVKDONJSA-N 0 3 255.789 3.874 10 0 CHAEHN CCCN[C@]1(c2nc(C(C)C)cs2)CCCSC1 ZINC000061590749 520128196 /nfs/dbraw/zinc/12/81/96/520128196.db2.gz FKQLOAGGPGGZRC-CQSZACIVSA-N 0 3 284.494 3.988 10 0 CHAEHN CCN[C@H](c1ccc(Cl)s1)[C@H]1CCCCO1 ZINC000050962178 520207306 /nfs/dbraw/zinc/20/73/06/520207306.db2.gz CGODTPNEVOSDBJ-SKDRFNHKSA-N 0 3 259.802 3.621 10 0 CHAEHN CCCCCOc1nc(C)cc(C)c1CNCCC ZINC000051544114 520260703 /nfs/dbraw/zinc/26/07/03/520260703.db2.gz RNYWUTMCPVDBDV-UHFFFAOYSA-N 0 3 264.413 3.767 10 0 CHAEHN CC1(C)CCCN1c1ccc(C(F)(F)F)cc1CN ZINC000063065442 520335430 /nfs/dbraw/zinc/33/54/30/520335430.db2.gz NYAUBZTYIUZRCA-UHFFFAOYSA-N 0 3 272.314 3.543 10 0 CHAEHN CCCCN(c1nc(CC)c(CN)s1)[C@@H](C)CC ZINC000055002472 520552482 /nfs/dbraw/zinc/55/24/82/520552482.db2.gz XXZPFIQOJRBJKP-NSHDSACASA-N 0 3 269.458 3.569 10 0 CHAEHN CCOc1cccc(CNC(C)(C)C)c1OC(C)C ZINC000062732665 521358299 /nfs/dbraw/zinc/35/82/99/521358299.db2.gz TXXMNXAJGYZHDQ-UHFFFAOYSA-N 0 3 265.397 3.761 10 0 CHAEHN CCC(CC)N(C)Cc1csc(CNCC(C)C)n1 ZINC000052477937 521543346 /nfs/dbraw/zinc/54/33/46/521543346.db2.gz GZRGFFPWAIDVRC-UHFFFAOYSA-N 0 3 283.485 3.509 10 0 CHAEHN CN[C@@H](C)c1c(F)cccc1OCc1cccs1 ZINC000049585754 522330547 /nfs/dbraw/zinc/33/05/47/522330547.db2.gz HQLXJGKYIBCXIP-JTQLQIEISA-N 0 3 265.353 3.747 10 0 CHAEHN CN[C@@H](CCc1ccccc1)c1nc(C)c(C)s1 ZINC000061625700 522352271 /nfs/dbraw/zinc/35/22/71/522352271.db2.gz XKGSRENYKIZTNV-AWEZNQCLSA-N 0 3 260.406 3.653 10 0 CHAEHN CN[C@@H](c1ccc(Cl)s1)c1ccc2c(c1)COC2 ZINC000062332678 522367586 /nfs/dbraw/zinc/36/75/86/522367586.db2.gz ABQWMKHZBYQJAP-CQSZACIVSA-N 0 3 279.792 3.741 10 0 CHAEHN Cc1cncc(-c2noc([C@@H]3CCCN3C3CCCC3)n2)c1 ZINC000333474661 534670970 /nfs/dbraw/zinc/67/09/70/534670970.db2.gz RSIIOILJTMMLBP-HNNXBMFYSA-N 0 3 298.390 3.520 10 0 CHAEHN CC[C@H](C)CNC1=NC2(CS1)CCC(C)CC2 ZINC000054489034 523883809 /nfs/dbraw/zinc/88/38/09/523883809.db2.gz JCEDAEVXIUCRKW-DCBWTQNWSA-N 0 3 254.443 3.674 10 0 CHAEHN CC[C@H](C)CNCc1ccc(CSC(F)F)o1 ZINC000054468274 523883884 /nfs/dbraw/zinc/88/38/84/523883884.db2.gz JYSDCYRRWIHXBN-VIFPVBQESA-N 0 3 263.353 3.871 10 0 CHAEHN COc1ccc(Cl)cc1[C@](C)(N)c1ccc(F)cc1 ZINC000055194996 524256915 /nfs/dbraw/zinc/25/69/15/524256915.db2.gz YIKRSFRCDMQLAU-OAHLLOKOSA-N 0 3 279.742 3.710 10 0 CHAEHN Cc1ccc(Cc2ncc(CNC(C)(C)C)s2)cc1 ZINC000052331484 524695134 /nfs/dbraw/zinc/69/51/34/524695134.db2.gz NTWIHHZNDJFFGC-UHFFFAOYSA-N 0 3 274.433 3.930 10 0 CHAEHN Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CNC2 ZINC000156648681 524755135 /nfs/dbraw/zinc/75/51/35/524755135.db2.gz ZEEZAIZPUWQMEB-UHFFFAOYSA-N 0 3 286.762 3.504 10 0 CHAEHN COc1cncc(CN[C@@H](C)c2ccc(C)cc2C)c1 ZINC000289696738 524921955 /nfs/dbraw/zinc/92/19/55/524921955.db2.gz FEEOGPNWADLPIZ-AWEZNQCLSA-N 0 3 270.376 3.558 10 0 CHAEHN COc1ccc(OC/C=C/Cl)c(CNC(C)(C)C)c1 ZINC000062727548 524925828 /nfs/dbraw/zinc/92/58/28/524925828.db2.gz RIOPAVDCLUOFPG-VMPITWQZSA-N 0 3 283.799 3.715 10 0 CHAEHN C[C@H](N[C@@H]1C[C@@H]1C)c1sccc1Br ZINC000052274787 525589146 /nfs/dbraw/zinc/58/91/46/525589146.db2.gz YPCDVGAOFDQDKW-ACLDMZEESA-N 0 3 260.200 3.570 10 0 CHAEHN COc1cccc(CN2CCC[C@H](c3nccs3)C2)c1 ZINC000157806268 525941013 /nfs/dbraw/zinc/94/10/13/525941013.db2.gz DTIBOBZZJIHBIB-AWEZNQCLSA-N 0 3 288.416 3.531 10 0 CHAEHN Cc1ccc2c(c1)nc(N)n2[C@@H](C)c1ccsc1 ZINC000061365085 526220668 /nfs/dbraw/zinc/22/06/68/526220668.db2.gz WSSUYBCTQVRIEY-JTQLQIEISA-N 0 3 257.362 3.598 10 0 CHAEHN Fc1cccc(CN2CCC[C@H](c3nccs3)C2)c1 ZINC000157007351 526384300 /nfs/dbraw/zinc/38/43/00/526384300.db2.gz ICQZVIBLNILPJS-ZDUSSCGKSA-N 0 3 276.380 3.662 10 0 CHAEHN Cc1oc(COC2CCC2)cc1CNC(C)(C)C ZINC000052595374 526774570 /nfs/dbraw/zinc/77/45/70/526774570.db2.gz YJAQLSOIUQFJHP-UHFFFAOYSA-N 0 3 251.370 3.545 10 0 CHAEHN Cc1nc(N(C)[C@@H](C)c2cccs2)sc1[C@@H](C)N ZINC000054897391 526951750 /nfs/dbraw/zinc/95/17/50/526951750.db2.gz RMEFJNWGBSXTRU-SCZZXKLOSA-N 0 3 281.450 3.730 10 0 CHAEHN N[C@@H](Cc1ccc(C(F)(F)F)cc1)c1ccoc1 ZINC000050518609 527333867 /nfs/dbraw/zinc/33/38/67/527333867.db2.gz HFQVZCFIIFRENL-LBPRGKRZSA-N 0 3 255.239 3.541 10 0 CHAEHN N[C@@H](c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000061703523 527338983 /nfs/dbraw/zinc/33/89/83/527338983.db2.gz GGUSUPPKEBBKNN-ZDUSSCGKSA-N 0 3 267.250 3.633 10 0 CHAEHN c1ccc(-c2nnc([C@@H]3CCC[N@H+]3C3CCCC3)[n-]2)cc1 ZINC000093215140 567037527 /nfs/dbraw/zinc/03/75/27/567037527.db2.gz ZMXALZJMNNQTMC-HNNXBMFYSA-N 0 3 282.391 3.551 10 0 CHAEHN c1ccc(-c2nnc([C@@H]3CCC[N@@H+]3C3CCCC3)[n-]2)cc1 ZINC000093215140 567037529 /nfs/dbraw/zinc/03/75/29/567037529.db2.gz ZMXALZJMNNQTMC-HNNXBMFYSA-N 0 3 282.391 3.551 10 0 CHAEHN N[C@@H](CC1CC1)c1cc2cccc(Br)c2o1 ZINC000163308857 567211637 /nfs/dbraw/zinc/21/16/37/567211637.db2.gz XJKDXBBREBMCCB-NSHDSACASA-N 0 3 280.165 3.995 10 0 CHAEHN CCCN1CCC(=O)C12CC(C)(C)CC(C)(C)C2 ZINC000712046074 567836955 /nfs/dbraw/zinc/83/69/55/567836955.db2.gz MYZZFOIOLVRODB-UHFFFAOYSA-N 0 3 251.414 3.646 10 0 CHAEHN CCCCNCc1cc(Cl)cc(OC)c1OCC ZINC000010473980 567861771 /nfs/dbraw/zinc/86/17/71/567861771.db2.gz ROUODDOEEYOSED-UHFFFAOYSA-N 0 3 271.788 3.637 10 0 CHAEHN Cc1cccc(COc2cccc(CNC3CC3)c2)c1 ZINC000032115719 567955666 /nfs/dbraw/zinc/95/56/66/567955666.db2.gz ZDQKIQKFOFJWGN-UHFFFAOYSA-N 0 3 267.372 3.826 10 0 CHAEHN CC[C@@H](C)[C@@H](C)N(CC(=O)Nc1ccccc1F)C1CC1 ZINC000104967780 1125456974 /nfs/dbraw/zinc/45/69/74/1125456974.db2.gz WLTPXJDQSDRYRE-CHWSQXEVSA-N 0 3 292.398 3.663 10 0 CHAEHN Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3N[C@@H]1CCCNC1=O ZINC000329671015 1119475596 /nfs/dbraw/zinc/47/55/96/1119475596.db2.gz TXSGHZDTGPEYGV-JKSUJKDBSA-N 0 3 297.402 3.562 10 0 CHAEHN CCCc1nc(C2CCCCC2)sc1CNC ZINC000082428149 178003351 /nfs/dbraw/zinc/00/33/51/178003351.db2.gz ZKPZPUIDVSJUKV-UHFFFAOYSA-N 0 3 252.427 3.863 10 0 CHAEHN CCCNCc1sc(CSC)nc1C(C)C ZINC000082432667 178010333 /nfs/dbraw/zinc/01/03/33/178010333.db2.gz QTULAFLDWZULBQ-UHFFFAOYSA-N 0 3 258.456 3.629 10 0 CHAEHN CC(C)(C)c1nc(CCOc2ccccc2)sc1CN ZINC000082440340 178018532 /nfs/dbraw/zinc/01/85/32/178018532.db2.gz RGNPDJPCGIXWBN-UHFFFAOYSA-N 0 3 290.432 3.521 10 0 CHAEHN Cc1ccc(-n2ncc(CNC(C)C)c2C(F)(F)F)cc1 ZINC000082661649 178149423 /nfs/dbraw/zinc/14/94/23/178149423.db2.gz TVGMCPDXAHLAAB-UHFFFAOYSA-N 0 3 297.324 3.698 10 0 CHAEHN CCSc1cc(OC)c2c(c1OC)[C@@H](C(C)C)NCC2 ZINC000096889060 185123621 /nfs/dbraw/zinc/12/36/21/185123621.db2.gz KCGFLUWXJKZXFP-OAHLLOKOSA-N 0 3 295.448 3.659 10 0 CHAEHN CCCc1cc(OC)c2c(c1OC)[C@H](C)NCC2(C)C ZINC000096889025 185124008 /nfs/dbraw/zinc/12/40/08/185124008.db2.gz VGKDDVPPVDOPBZ-NSHDSACASA-N 0 3 277.408 3.598 10 0 CHAEHN CCN[C@@H](CC)C(=O)c1ccc(C(C)(C)C)cc1C ZINC000096891110 185124642 /nfs/dbraw/zinc/12/46/42/185124642.db2.gz JNBXFZDWCKXXLS-HNNXBMFYSA-N 0 3 261.409 3.863 10 0 CHAEHN Cc1cc([C@H](N)Cc2ccccc2Br)co1 ZINC000096978596 185145384 /nfs/dbraw/zinc/14/53/84/185145384.db2.gz IXXLBSLCFUDSBN-CYBMUJFWSA-N 0 3 280.165 3.593 10 0 CHAEHN COc1ccc([C@@H](N)c2c(C)cc(C)cc2C)c(OC)c1 ZINC000019967748 170949405 /nfs/dbraw/zinc/94/94/05/170949405.db2.gz MFSNTOFJFHEKRW-GOSISDBHSA-N 0 3 285.387 3.677 10 0 CHAEHN CC[C@@H](N[C@H](C)c1ccncc1)c1ccc(O)cc1 ZINC000020121315 171000647 /nfs/dbraw/zinc/00/06/47/171000647.db2.gz WHSJXTWNSOHFJP-MLGOLLRUSA-N 0 3 256.349 3.589 10 0 CHAEHN Cc1ccc([C@H](C)N[C@@H](CN(C)C)c2ccccc2)o1 ZINC000020129379 171016801 /nfs/dbraw/zinc/01/68/01/171016801.db2.gz QLXXLFYRPMZDCK-HOCLYGCPSA-N 0 3 272.392 3.542 10 0 CHAEHN c1ccc2sc(CNC[C@H]3CC=CCC3)nc2c1 ZINC000020136376 171024123 /nfs/dbraw/zinc/02/41/23/171024123.db2.gz XCUHBQGHNIYUGP-LBPRGKRZSA-N 0 3 258.390 3.742 10 0 CHAEHN C[C@H](NC1c2ccccc2-c2ccccc21)[C@@H]1CCCO1 ZINC000020206405 171071592 /nfs/dbraw/zinc/07/15/92/171071592.db2.gz PKJBEXBXBOKRKI-UGSOOPFHSA-N 0 3 279.383 3.914 10 0 CHAEHN CN(Cc1ccccc1Cl)[C@H](CN)c1cccs1 ZINC000020225321 171087422 /nfs/dbraw/zinc/08/74/22/171087422.db2.gz MQFJKWFWMAIGPE-CYBMUJFWSA-N 0 3 280.824 3.533 10 0 CHAEHN CN(Cc1ccc(F)cc1)[C@H](CN)c1ccccc1Cl ZINC000020225909 171089939 /nfs/dbraw/zinc/08/99/39/171089939.db2.gz RRVVDJWFJBUDEM-MRXNPFEDSA-N 0 3 292.785 3.611 10 0 CHAEHN CC(C)[C@H](C)NCc1ccc(F)cc1Br ZINC000020364012 171162816 /nfs/dbraw/zinc/16/28/16/171162816.db2.gz PORVGDGEPPJFLQ-VIFPVBQESA-N 0 3 274.177 3.722 10 0 CHAEHN COc1cccc(C[C@@H](N)c2ccc(Cl)s2)c1 ZINC000020375036 171170571 /nfs/dbraw/zinc/17/05/71/171170571.db2.gz KYMVYHWSZFNLHD-LLVKDONJSA-N 0 3 267.781 3.653 10 0 CHAEHN N[C@H](CC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000020429980 171195053 /nfs/dbraw/zinc/19/50/53/171195053.db2.gz LITKGGXGWMBMDE-CQSZACIVSA-N 0 3 292.741 3.508 10 0 CHAEHN Cc1cc([C@@H](C)N[C@@H](CN(C)C)c2ccccc2)c(C)o1 ZINC000020438926 171203136 /nfs/dbraw/zinc/20/31/36/171203136.db2.gz HZKCXSHVORZRFB-KDOFPFPSSA-N 0 3 286.419 3.850 10 0 CHAEHN COc1ccc(F)cc1[C@@H](N)c1ccc(Cl)cc1 ZINC000020470567 171212360 /nfs/dbraw/zinc/21/23/60/171212360.db2.gz UOQLJMJEOACWPE-AWEZNQCLSA-N 0 3 265.715 3.536 10 0 CHAEHN Cc1cccc(OC[C@H](N)c2ccccc2C)c1C ZINC000020548715 171246006 /nfs/dbraw/zinc/24/60/06/171246006.db2.gz KNNIDVJTAXKGGH-INIZCTEOSA-N 0 3 255.361 3.691 10 0 CHAEHN CC(C)c1ccc([C@H](N)COc2ccccc2)cc1 ZINC000020552869 171248309 /nfs/dbraw/zinc/24/83/09/171248309.db2.gz VOPZJOGZGTUUDZ-QGZVFWFLSA-N 0 3 255.361 3.889 10 0 CHAEHN N[C@@H]1c2ccccc2C[C@@H]1Oc1cccc2ccccc21 ZINC000020567407 171255156 /nfs/dbraw/zinc/25/51/56/171255156.db2.gz PLZAAGCJIDPPHA-RBUKOAKNSA-N 0 3 275.351 3.843 10 0 CHAEHN CCC[C@@H](C)[C@@H](N)c1cc(Br)ccc1OC ZINC000020586577 171259446 /nfs/dbraw/zinc/25/94/46/171259446.db2.gz YVJKADJSVWZNAR-NOZJJQNGSA-N 0 3 286.213 3.894 10 0 CHAEHN CC[C@@H]1CCCC[C@@H]1OC[C@@H](N)c1ccc(C)cc1 ZINC000021508598 171309272 /nfs/dbraw/zinc/30/92/72/171309272.db2.gz REMOWKPXBYFBDZ-OIISXLGYSA-N 0 3 261.409 3.980 10 0 CHAEHN CCc1ccc([C@@H](N)CO[C@H]2CCCC[C@@H]2C)cc1 ZINC000021814534 171331591 /nfs/dbraw/zinc/33/15/91/171331591.db2.gz ULABOQNCGYBRSH-JQFCIGGWSA-N 0 3 261.409 3.844 10 0 CHAEHN CN1CCN([C@H]2C[C@@H](c3ccccc3)c3ccccc32)CC1 ZINC000022778642 171398907 /nfs/dbraw/zinc/39/89/07/171398907.db2.gz PBNIVFQAAKTXAH-PMACEKPBSA-N 0 3 292.426 3.511 10 0 CHAEHN CC(C)CCN[C@@H](c1ccccc1)c1ccncc1 ZINC000035163326 172024007 /nfs/dbraw/zinc/02/40/07/172024007.db2.gz OHRHFLHNFNQZPU-KRWDZBQOSA-N 0 3 254.377 3.807 10 0 CHAEHN COc1ccc([C@@H](N)c2cc(Cl)ccc2F)cc1F ZINC000035424600 172193447 /nfs/dbraw/zinc/19/34/47/172193447.db2.gz JNQSZUYEBVTSQD-CQSZACIVSA-N 0 3 283.705 3.675 10 0 CHAEHN CN[C@H](CCc1ccccc1)c1cc(F)ccc1F ZINC000035468735 172218792 /nfs/dbraw/zinc/21/87/92/172218792.db2.gz YDNQBQGWKSVESI-MRXNPFEDSA-N 0 3 261.315 3.858 10 0 CHAEHN CN[C@H](c1ccc2c(c1)CCC2)c1ccccc1C ZINC000035497079 172230713 /nfs/dbraw/zinc/23/07/13/172230713.db2.gz YDMILPIRKGMMOJ-GOSISDBHSA-N 0 3 251.373 3.793 10 0 CHAEHN CCOc1ccc(Br)cc1[C@@H](NC)C1CC1 ZINC000035505826 172239246 /nfs/dbraw/zinc/23/92/46/172239246.db2.gz ZOEBIVHEBHAGRA-ZDUSSCGKSA-N 0 3 284.197 3.518 10 0 CHAEHN CCC[C@@H](NCC)c1cc(Br)ccc1OC ZINC000035508877 172240662 /nfs/dbraw/zinc/24/06/62/172240662.db2.gz XTTCHHJTJBQCRO-GFCCVEGCSA-N 0 3 286.213 3.908 10 0 CHAEHN CCN[C@@H](c1ccc(OC)cc1)c1ccccc1C ZINC000035540890 172247711 /nfs/dbraw/zinc/24/77/11/172247711.db2.gz XUPARZDPLIGPIT-KRWDZBQOSA-N 0 3 255.361 3.703 10 0 CHAEHN CCN[C@@H](c1ccc(OC)cc1)c1cccc(F)c1 ZINC000035540862 172247715 /nfs/dbraw/zinc/24/77/15/172247715.db2.gz NSVFQCLOCSLWQP-INIZCTEOSA-N 0 3 259.324 3.533 10 0 CHAEHN CCN[C@H](c1cccs1)c1cc(F)cc(F)c1 ZINC000035545498 172253612 /nfs/dbraw/zinc/25/36/12/172253612.db2.gz WAWYARMNCANIND-ZDUSSCGKSA-N 0 3 253.317 3.725 10 0 CHAEHN CCN[C@H](c1cccs1)c1cc(F)ccc1OC ZINC000035554339 172261200 /nfs/dbraw/zinc/26/12/00/172261200.db2.gz CYZWGNZCMCGADG-AWEZNQCLSA-N 0 3 265.353 3.595 10 0 CHAEHN CCN[C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000035559022 172264200 /nfs/dbraw/zinc/26/42/00/172264200.db2.gz BSSXPLXSOLUTCV-STQMWFEESA-N 0 3 274.191 3.823 10 0 CHAEHN CCN[C@@H](c1ccccc1)c1ccc(OC)c(F)c1 ZINC000035572118 172267962 /nfs/dbraw/zinc/26/79/62/172267962.db2.gz JWVGTXCWNYVLCB-INIZCTEOSA-N 0 3 259.324 3.533 10 0 CHAEHN CCCN[C@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000035575232 172272110 /nfs/dbraw/zinc/27/21/10/172272110.db2.gz BYTPQDMAERZLMI-HNNXBMFYSA-N 0 3 260.768 3.824 10 0 CHAEHN CCCN[C@@H](C)c1cc2c(cc1Cl)OCCCO2 ZINC000035584663 172283806 /nfs/dbraw/zinc/28/38/06/172283806.db2.gz KIVCWFNTAVTBKH-JTQLQIEISA-N 0 3 269.772 3.562 10 0 CHAEHN Cc1cc2c(c(C)c1Cl)[C@H](NC(C)C)CCO2 ZINC000035657755 172332028 /nfs/dbraw/zinc/33/20/28/172332028.db2.gz NLJWXBSQNJHEOI-LLVKDONJSA-N 0 3 253.773 3.778 10 0 CHAEHN CNCc1cc(Cl)cc(Cl)c1OCC(C)C ZINC000035661949 172339408 /nfs/dbraw/zinc/33/94/08/172339408.db2.gz LXFWDISRVWVBGW-UHFFFAOYSA-N 0 3 262.180 3.748 10 0 CHAEHN CN[C@@H](C)c1c(F)cccc1N(C)Cc1cccs1 ZINC000035717652 172371162 /nfs/dbraw/zinc/37/11/62/172371162.db2.gz SWRLTOWNGWXVJX-NSHDSACASA-N 0 3 278.396 3.804 10 0 CHAEHN CC(C)CSc1ccc(C(F)(F)F)cc1CN ZINC000035719880 172374494 /nfs/dbraw/zinc/37/44/94/172374494.db2.gz OYZIFFCQDNBFLA-UHFFFAOYSA-N 0 3 263.328 3.912 10 0 CHAEHN C[C@@H]1C[C@@H](NC2CC2)c2c(F)ccc(F)c2S1 ZINC000035763145 172403737 /nfs/dbraw/zinc/40/37/37/172403737.db2.gz SAAQIOJXHGYYLL-RDDDGLTNSA-N 0 3 255.333 3.642 10 0 CHAEHN FC(F)Sc1ccc(N[C@H]2CN3CCC2CC3)cc1 ZINC000036919625 172804318 /nfs/dbraw/zinc/80/43/18/172804318.db2.gz PRCPZCFOILZIND-ZDUSSCGKSA-N 0 3 284.375 3.507 10 0 CHAEHN NCc1cc(F)ccc1Oc1cccc(Cl)c1 ZINC000037237802 173055036 /nfs/dbraw/zinc/05/50/36/173055036.db2.gz RGDCWTISUPDFMA-UHFFFAOYSA-N 0 3 251.688 3.730 10 0 CHAEHN CCN[C@H](c1ccccc1)c1ccc(OC)cc1F ZINC000037409284 173185620 /nfs/dbraw/zinc/18/56/20/173185620.db2.gz GVRWNDHJYMDPPQ-MRXNPFEDSA-N 0 3 259.324 3.533 10 0 CHAEHN CCCn1c2ccc(C)cc2nc1[C@H](N)[C@H](C)CC ZINC000037438360 173208759 /nfs/dbraw/zinc/20/87/59/173208759.db2.gz RMSLVSSUFUKPNH-IUODEOHRSA-N 0 3 259.397 3.801 10 0 CHAEHN CCCC[C@@H](N)c1nc2cc(Cl)ccc2n1CC ZINC000037440374 173210461 /nfs/dbraw/zinc/21/04/61/173210461.db2.gz OIWDMQDQBYHSPS-LLVKDONJSA-N 0 3 265.788 3.900 10 0 CHAEHN CC[C@H](N)c1nc2cccc(Cl)c2n1C(C)C ZINC000037444251 173211887 /nfs/dbraw/zinc/21/18/87/173211887.db2.gz LCXYMVYOIRXEKC-JTQLQIEISA-N 0 3 251.761 3.680 10 0 CHAEHN C[C@](N)(c1cccc(F)c1)c1ccccc1Br ZINC000037529769 173252937 /nfs/dbraw/zinc/25/29/37/173252937.db2.gz VKGCYTDZESJBKH-AWEZNQCLSA-N 0 3 294.167 3.810 10 0 CHAEHN C[C@@H](NCCc1ccc(Cl)cc1Cl)c1cc[nH]n1 ZINC000037906530 173839066 /nfs/dbraw/zinc/83/90/66/173839066.db2.gz HOZXHUIJEFQSGY-SECBINFHSA-N 0 3 284.190 3.610 10 0 CHAEHN C[C@H]1CCCN1c1cccc(Cl)c1CNC1CC1 ZINC000037911761 173844758 /nfs/dbraw/zinc/84/47/58/173844758.db2.gz JRUHVSZAIUKJQC-NSHDSACASA-N 0 3 264.800 3.581 10 0 CHAEHN Nc1cccc2c1CCN([C@@H]1CCSc3ccccc31)C2 ZINC000038032652 174028562 /nfs/dbraw/zinc/02/85/62/174028562.db2.gz HDTKJCWLKRODQG-QGZVFWFLSA-N 0 3 296.439 3.864 10 0 CHAEHN C[C@@H](c1ccc(F)cc1)N1CCc2c(N)cccc2C1 ZINC000038032482 174029084 /nfs/dbraw/zinc/02/90/84/174029084.db2.gz HYLAPAOSPCMHPP-LBPRGKRZSA-N 0 3 270.351 3.527 10 0 CHAEHN Cc1cc([C@H](C)N2CCc3c(N)cccc3C2)c(C)o1 ZINC000038032538 174029291 /nfs/dbraw/zinc/02/92/91/174029291.db2.gz VUMLLMBQRORHQW-LBPRGKRZSA-N 0 3 270.376 3.598 10 0 CHAEHN CCn1c2ccccc2nc1CN[C@H]1CCC[C@H](C)[C@@H]1C ZINC000038046637 174055325 /nfs/dbraw/zinc/05/53/25/174055325.db2.gz PQRRMNOFPIBLNM-KKUMJFAQSA-N 0 3 285.435 3.971 10 0 CHAEHN CCNCc1cc(-c2ccc(C)cc2)ccc1OC ZINC000038070059 174081096 /nfs/dbraw/zinc/08/10/96/174081096.db2.gz ZNONNDIVXNVCAK-UHFFFAOYSA-N 0 3 255.361 3.780 10 0 CHAEHN CNCc1cc(-c2ccc(OC)c(C)c2)ccc1F ZINC000038073656 174083991 /nfs/dbraw/zinc/08/39/91/174083991.db2.gz RKNWCERPGSGMCW-UHFFFAOYSA-N 0 3 259.324 3.529 10 0 CHAEHN CN[C@H](Cc1c(F)cccc1Cl)c1ccc(C)o1 ZINC000038131677 174132355 /nfs/dbraw/zinc/13/23/55/174132355.db2.gz XIICIQOMXOCVPB-CYBMUJFWSA-N 0 3 267.731 3.884 10 0 CHAEHN c1ccc(C(c2ccccc2)N2CC(N3CCCC3)C2)cc1 ZINC000038439663 174141949 /nfs/dbraw/zinc/14/19/49/174141949.db2.gz GVMPKWBOEMVYOE-UHFFFAOYSA-N 0 3 292.426 3.556 10 0 CHAEHN CN(C)c1ccncc1N[C@H](c1cccs1)C1CC1 ZINC000042329744 174687007 /nfs/dbraw/zinc/68/70/07/174687007.db2.gz TZQRARSCLJHMIB-HNNXBMFYSA-N 0 3 273.405 3.772 10 0 CHAEHN CC(C)C[C@H]1NCCc2c(F)ccc(Br)c21 ZINC000070821353 176007600 /nfs/dbraw/zinc/00/76/00/176007600.db2.gz NIZSBMRXCCQXRJ-GFCCVEGCSA-N 0 3 286.188 3.821 10 0 CHAEHN NC[C@@H](Oc1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000071167268 176049445 /nfs/dbraw/zinc/04/94/45/176049445.db2.gz XLOQFCVLCVUILC-CQSZACIVSA-N 0 3 283.705 3.697 10 0 CHAEHN COc1ccc2c(c1)C1(CC1)CN[C@H]2c1cccc(F)c1 ZINC000071633477 176237921 /nfs/dbraw/zinc/23/79/21/176237921.db2.gz GCGGQUZIKKIAAC-KRWDZBQOSA-N 0 3 283.346 3.559 10 0 CHAEHN COc1ccc2c(c1)C(C)(C)CN[C@H]2c1cccc(F)c1 ZINC000071642243 176239186 /nfs/dbraw/zinc/23/91/86/176239186.db2.gz KJBMAYGQBXZYOK-KRWDZBQOSA-N 0 3 285.362 3.805 10 0 CHAEHN CCN[C@@H](C)c1csc(-c2c(F)cccc2F)n1 ZINC000076784495 177091878 /nfs/dbraw/zinc/09/18/78/177091878.db2.gz RRYKNIUDOPOKJY-QMMMGPOBSA-N 0 3 268.332 3.759 10 0 CHAEHN CCOc1ccc([C@@H](N)c2c(C)oc(C)c2C)cc1 ZINC000077088661 177212437 /nfs/dbraw/zinc/21/24/37/177212437.db2.gz KDFNEZNDTPVIHS-MRXNPFEDSA-N 0 3 259.349 3.652 10 0 CHAEHN C[C@@H](COCc1ccccc1)N[C@@H]1CCCc2occc21 ZINC000192910300 227382004 /nfs/dbraw/zinc/38/20/04/227382004.db2.gz APNIRTZUFKKHCJ-WMLDXEAASA-N 0 3 285.387 3.852 10 0 CHAEHN C[C@@H](COCc1ccccc1)N[C@H]1CCCc2occc21 ZINC000192910326 227382997 /nfs/dbraw/zinc/38/29/97/227382997.db2.gz APNIRTZUFKKHCJ-YOEHRIQHSA-N 0 3 285.387 3.852 10 0 CHAEHN OC[C@@H]1CCCC[C@H]1NCc1cc(Cl)sc1Cl ZINC000312600401 260172817 /nfs/dbraw/zinc/17/28/17/260172817.db2.gz KRMCYHKYFKNQFQ-WCBMZHEXSA-N 0 3 294.247 3.696 10 0 CHAEHN CSCCCN[C@@H](c1ccco1)c1ccccc1 ZINC000041635578 260184606 /nfs/dbraw/zinc/18/46/06/260184606.db2.gz ASSMLZAIOQQUMD-OAHLLOKOSA-N 0 3 261.390 3.712 10 0 CHAEHN CCCn1ccc(CNCc2ccccc2COCC)c1 ZINC000091012271 260264660 /nfs/dbraw/zinc/26/46/60/260264660.db2.gz XCUMDVUYSVSKKZ-UHFFFAOYSA-N 0 3 286.419 3.724 10 0 CHAEHN CCCn1ccc(CNCCSc2ccccc2)c1 ZINC000091012578 260264797 /nfs/dbraw/zinc/26/47/97/260264797.db2.gz DJYWMOJJJNYJOW-UHFFFAOYSA-N 0 3 274.433 3.780 10 0 CHAEHN CCCn1ccc(CN[C@@H]2CCc3ccccc32)c1 ZINC000091009718 260264828 /nfs/dbraw/zinc/26/48/28/260264828.db2.gz LPTHRYKZEGLYFT-QGZVFWFLSA-N 0 3 254.377 3.675 10 0 CHAEHN CCn1cccc1CN[C@H]1CCSc2ccccc21 ZINC000091024998 260265054 /nfs/dbraw/zinc/26/50/54/260265054.db2.gz CQOXAQNBPBZBPS-HNNXBMFYSA-N 0 3 272.417 3.835 10 0 CHAEHN Cc1cccc(N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 ZINC000129238722 260386391 /nfs/dbraw/zinc/38/63/91/260386391.db2.gz ADOUFKHLZTVPAT-SJLPKXTDSA-N 0 3 295.430 3.855 10 0 CHAEHN Cc1cnc(CCN(C)Cc2ccc3ccccc3n2)s1 ZINC000157344411 261145122 /nfs/dbraw/zinc/14/51/22/261145122.db2.gz JMOPAFPGFKYRJT-UHFFFAOYSA-N 0 3 297.427 3.674 10 0 CHAEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cc(C)ccc1C ZINC000106211221 261322589 /nfs/dbraw/zinc/32/25/89/261322589.db2.gz JETSJKQSRMANJQ-SFHVURJKSA-N 0 3 297.446 3.991 10 0 CHAEHN Cc1ccnc(N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000301664129 261339348 /nfs/dbraw/zinc/33/93/48/261339348.db2.gz VUYUOKLOCWPNQN-AEFFLSMTSA-N 0 3 295.430 3.855 10 0 CHAEHN Cn1cc([C@@H]2CCCN2Cc2ccc(C(F)F)cc2)cn1 ZINC000183936892 262000104 /nfs/dbraw/zinc/00/01/04/262000104.db2.gz BOEPPFIMVYKCJJ-HNNXBMFYSA-N 0 3 291.345 3.695 10 0 CHAEHN c1coc([C@H]2CCCN2Cc2ccc(-n3ccnc3)cc2)c1 ZINC000116292648 267137056 /nfs/dbraw/zinc/13/70/56/267137056.db2.gz MIBLOUXPVAFBFD-QGZVFWFLSA-N 0 3 293.370 3.802 10 0 CHAEHN N[C@@H](CC(F)(F)F)c1ccccc1OC(F)(F)F ZINC000055225529 527329165 /nfs/dbraw/zinc/32/91/65/527329165.db2.gz UEHFCHRIEQJWCI-ZETCQYMHSA-N 0 3 273.176 3.537 10 0 CHAEHN Cc1c2ccccc2oc1[C@@H](C)N[C@H](CO)CC(C)C ZINC000040775721 328020236 /nfs/dbraw/zinc/02/02/36/328020236.db2.gz PLCUGKCHISNODW-KGLIPLIRSA-N 0 3 275.392 3.799 10 0 CHAEHN COC(=O)CCN[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000037300737 326844009 /nfs/dbraw/zinc/84/40/09/326844009.db2.gz KVTFKWQLGRXIJH-AWEZNQCLSA-N 0 3 283.371 3.567 10 0 CHAEHN CCCNC(=O)[C@H](C)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000036959790 326878284 /nfs/dbraw/zinc/87/82/84/326878284.db2.gz GZCRXJSIKXJXKA-KGLIPLIRSA-N 0 3 290.451 3.549 10 0 CHAEHN C[C@H]1OCC[C@H]1NCc1sc2ccccc2c1Cl ZINC000149389859 327109036 /nfs/dbraw/zinc/10/90/36/327109036.db2.gz VSMGTHHIPGJDTF-MWLCHTKSSA-N 0 3 281.808 3.822 10 0 CHAEHN Cc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1Cl ZINC000193851801 329062025 /nfs/dbraw/zinc/06/20/25/329062025.db2.gz SHBGTKSGDKWSIZ-UHFFFAOYSA-N 0 3 289.810 3.751 10 0 CHAEHN Cc1nccn1C[C@H]1CCCN1Cc1cc2ccccc2o1 ZINC000178544006 329198268 /nfs/dbraw/zinc/19/82/68/329198268.db2.gz XPYDLJNCGHJCSA-MRXNPFEDSA-N 0 3 295.386 3.602 10 0 CHAEHN C[C@H](N[C@@H]1C[C@@H]1C)c1nc(-c2ccccc2)cs1 ZINC000178685235 329202121 /nfs/dbraw/zinc/20/21/21/329202121.db2.gz WCTVMPVGQWETLH-GMXVVIOVSA-N 0 3 258.390 3.869 10 0 CHAEHN C[C@@H](NC[C@@H]1CCN(C)c2ccccc21)c1ccco1 ZINC000180014349 329214657 /nfs/dbraw/zinc/21/46/57/329214657.db2.gz CMAUVZHQZWLLRA-KGLIPLIRSA-N 0 3 270.376 3.554 10 0 CHAEHN COCCCN[C@@H](c1ccccc1)c1ccccc1C ZINC000105689693 330327921 /nfs/dbraw/zinc/32/79/21/330327921.db2.gz MFUHLLNTKHIMGB-SFHVURJKSA-N 0 3 269.388 3.711 10 0 CHAEHN CC[C@H](NC[C@H]1Cc2ccccc21)c1nccs1 ZINC000090976811 330397332 /nfs/dbraw/zinc/39/73/32/330397332.db2.gz CCOLJFQGVYCNLJ-OCCSQVGLSA-N 0 3 258.390 3.524 10 0 CHAEHN C[C@H](NC1CC(c2cccc(Cl)c2)C1)c1cnn(C)c1 ZINC000312307660 330462600 /nfs/dbraw/zinc/46/26/00/330462600.db2.gz YJINFIXKQYXWAQ-XOMBGVMMSA-N 0 3 289.810 3.670 10 0 CHAEHN C[C@@H]1CC(CNCc2cc(Cl)ccc2F)C[C@@H](C)O1 ZINC000466425362 331396579 /nfs/dbraw/zinc/39/65/79/331396579.db2.gz JZRSOUJYRMIMMI-GHMZBOCLSA-N 0 3 285.790 3.772 10 0 CHAEHN CCC[C@@H]1C[C@H]1NCc1cc(Cl)c(OC)c(OC)c1 ZINC000231673217 333327517 /nfs/dbraw/zinc/32/75/17/333327517.db2.gz IDNLKWQSGUVQJD-DGCLKSJQSA-N 0 3 283.799 3.635 10 0 CHAEHN Cc1ccc(CN[C@H](C)c2ccc3c(c2)OCCO3)c(C)c1 ZINC000237483570 333379773 /nfs/dbraw/zinc/37/97/73/333379773.db2.gz VOCXIZCJGZQYKK-OAHLLOKOSA-N 0 3 297.398 3.925 10 0 CHAEHN C[C@H]1C[C@H]1NCc1cc(Br)ccc1Cl ZINC000124255635 333556686 /nfs/dbraw/zinc/55/66/86/333556686.db2.gz SZWGJTQAOFNUBQ-WRWORJQWSA-N 0 3 274.589 3.601 10 0 CHAEHN COc1cccc(F)c1[C@H](C)NC[C@@H]1Cc2ccccc21 ZINC000135144517 334117568 /nfs/dbraw/zinc/11/75/68/334117568.db2.gz ZLNZIIFUROXOSS-JSGCOSHPSA-N 0 3 285.362 3.825 10 0 CHAEHN CC[C@@H]1CC[C@@H](Nc2cccc(OCCN(C)C)c2)C1 ZINC000080453037 334171672 /nfs/dbraw/zinc/17/16/72/334171672.db2.gz ZEEDCEQUQHQMOS-GDBMZVCRSA-N 0 3 276.424 3.618 10 0 CHAEHN C[C@H](c1ccccc1F)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247998125 334293166 /nfs/dbraw/zinc/29/31/66/334293166.db2.gz KBEBOAQRMLWNKB-JKIFEVAISA-N 0 3 277.383 3.514 10 0 CHAEHN CCCNC(=O)CCN[C@H](c1ccccc1Cl)C(C)C ZINC000091304358 334375742 /nfs/dbraw/zinc/37/57/42/334375742.db2.gz QFWBAVLWGAOTJA-INIZCTEOSA-N 0 3 296.842 3.543 10 0 CHAEHN COCc1ccc(CNC2CCC(C(F)(F)F)CC2)o1 ZINC000268801242 334716652 /nfs/dbraw/zinc/71/66/52/334716652.db2.gz PZQSAIIPAKPVBA-UHFFFAOYSA-N 0 3 291.313 3.637 10 0 CHAEHN C[C@H]1C[C@H](NC[C@@H](O)C(C)(C)C)c2ccsc2S1 ZINC000268869355 334717807 /nfs/dbraw/zinc/71/78/07/334717807.db2.gz IISWCORYOCJJDC-ZMLRMANQSA-N 0 3 285.478 3.670 10 0 CHAEHN CC(C)CC[C@H](NCc1nnc(C(C)C)n1C)C(C)(C)C ZINC000179902135 335530763 /nfs/dbraw/zinc/53/07/63/335530763.db2.gz RKWURBPXZJOWRB-AWEZNQCLSA-N 0 3 294.487 3.879 10 0 CHAEHN CCN[C@H](C)c1cnc(N(C)[C@@H](C)CC(C)C)s1 ZINC000054908919 520182036 /nfs/dbraw/zinc/18/20/36/520182036.db2.gz FLMJUPSLXSTCQL-NWDGAFQWSA-N 0 3 269.458 3.684 10 0 CHAEHN CNCc1sc(N(C)c2ccc(C)cc2C)nc1C ZINC000055000518 522166856 /nfs/dbraw/zinc/16/68/56/522166856.db2.gz LTYNFHMKUIODGY-UHFFFAOYSA-N 0 3 275.421 3.556 10 0 CHAEHN Cc1ccsc1[C@@H](N)c1ccc(OC(C)C)cc1 ZINC000035081724 519104187 /nfs/dbraw/zinc/10/41/87/519104187.db2.gz PWGBWQPPVZCKGM-AWEZNQCLSA-N 0 3 261.390 3.892 10 0 CHAEHN CC(C)C[C@H]1CSC(N[C@@H](C)Cc2ccsc2)=N1 ZINC000049185359 519417517 /nfs/dbraw/zinc/41/75/17/519417517.db2.gz YKWPSMZZKPBQAI-AAEUAGOBSA-N 0 3 282.478 3.786 10 0 CHAEHN CC(C)[C@H](CN(C)C)N[C@@H](C)c1ccccc1Cl ZINC000049195602 519814759 /nfs/dbraw/zinc/81/47/59/519814759.db2.gz CBLWCSKXTABELY-WFASDCNBSA-N 0 3 268.832 3.577 10 0 CHAEHN CCNCc1cc(F)ccc1N1CCC[C@H](C)[C@@H]1C ZINC000050566061 519992610 /nfs/dbraw/zinc/99/26/10/519992610.db2.gz KJFZBOQUUPCXDM-STQMWFEESA-N 0 3 264.388 3.560 10 0 CHAEHN CCNCc1cnc(C2(c3ccccc3)CCC2)s1 ZINC000062781990 520015480 /nfs/dbraw/zinc/01/54/80/520015480.db2.gz YXLDDABDIRTNIJ-UHFFFAOYSA-N 0 3 272.417 3.723 10 0 CHAEHN CCNCc1sc(Cc2ccc(Cl)cc2)nc1C ZINC000052330265 520033288 /nfs/dbraw/zinc/03/32/88/520033288.db2.gz RRBVWBYRQKOXPU-UHFFFAOYSA-N 0 3 280.824 3.805 10 0 CHAEHN CCN[C@@H](C)c1cnc(N(C)[C@@H](C)CC(C)C)s1 ZINC000054908918 520080003 /nfs/dbraw/zinc/08/00/03/520080003.db2.gz FLMJUPSLXSTCQL-RYUDHWBXSA-N 0 3 269.458 3.684 10 0 CHAEHN CCN[C@@H]1CCCCc2c(Cl)cc(OC)c(OC)c21 ZINC000054741984 520119404 /nfs/dbraw/zinc/11/94/04/520119404.db2.gz YVBSDDDGEKSQFT-GFCCVEGCSA-N 0 3 283.799 3.734 10 0 CHAEHN CC1(C)CCc2ccccc2[C@H]1NCc1ccccn1 ZINC000126153160 520416736 /nfs/dbraw/zinc/41/67/36/520416736.db2.gz XZLMBVOKRFWJSF-QGZVFWFLSA-N 0 3 266.388 3.885 10 0 CHAEHN CCCC[C@@H](C)NC1=NC[C@@H](c2ccccc2)S1 ZINC000050889891 521005643 /nfs/dbraw/zinc/00/56/43/521005643.db2.gz VWUJVHGVEGZHPZ-OCCSQVGLSA-N 0 3 262.422 3.999 10 0 CHAEHN CCOc1ccc([C@](C)(N)c2cccc(Cl)c2)cc1 ZINC000055195667 521277715 /nfs/dbraw/zinc/27/77/15/521277715.db2.gz GIJDBYFVMIMMAY-INIZCTEOSA-N 0 3 275.779 3.961 10 0 CHAEHN CCN(c1nc(C)c([C@@H](C)N)s1)c1ccc(C)cc1 ZINC000054897228 521503685 /nfs/dbraw/zinc/50/36/85/521503685.db2.gz SUYPYGKWKNPSIY-LLVKDONJSA-N 0 3 275.421 3.938 10 0 CHAEHN CCC(CC)[C@@H](NC)c1cc(OC)c(OC)cc1F ZINC000061561042 521606222 /nfs/dbraw/zinc/60/62/22/521606222.db2.gz POONPBDFBIDKSE-OAHLLOKOSA-N 0 3 269.360 3.540 10 0 CHAEHN CN[C@H](C)c1ccc(-c2ccc(F)c(F)c2F)o1 ZINC000052924194 522443993 /nfs/dbraw/zinc/44/39/93/522443993.db2.gz KRYQQOOGMARBKN-SSDOTTSWSA-N 0 3 255.239 3.644 10 0 CHAEHN CN[C@H](C)c1cnc(N2CCc3sccc3[C@@H]2C)s1 ZINC000054906604 522452949 /nfs/dbraw/zinc/45/29/49/522452949.db2.gz ZKSLVITUAJXUGA-ZJUUUORDSA-N 0 3 293.461 3.609 10 0 CHAEHN CN[C@H](c1cc(C)oc1C)C1(c2ccccc2)CC1 ZINC000061617965 522478334 /nfs/dbraw/zinc/47/83/34/522478334.db2.gz PWZUVGVDTNLKTJ-MRXNPFEDSA-N 0 3 255.361 3.889 10 0 CHAEHN CN[C@H]1C[C@@H](C)CCc2c(Cl)cc(OC)c(OC)c21 ZINC000061831418 522508140 /nfs/dbraw/zinc/50/81/40/522508140.db2.gz OJNLWMSQRFICHA-CABZTGNLSA-N 0 3 283.799 3.590 10 0 CHAEHN CN(Cc1ccccc1)Cc1ccc(Cl)cc1N ZINC000050442855 523347164 /nfs/dbraw/zinc/34/71/64/523347164.db2.gz DUYUEUIYJXZVSA-UHFFFAOYSA-N 0 3 260.768 3.554 10 0 CHAEHN Cc1ccc(F)c([C@H](N)c2cccc(Br)c2)c1 ZINC000055205876 524835465 /nfs/dbraw/zinc/83/54/65/524835465.db2.gz YVRKPCPJCQUAJK-CQSZACIVSA-N 0 3 294.167 3.945 10 0 CHAEHN C[C@@H]1CN(CCCc2ccccc2)c2ccccc2CN1 ZINC000062671259 524950835 /nfs/dbraw/zinc/95/08/35/524950835.db2.gz YRGKXWNHMMGTPA-MRXNPFEDSA-N 0 3 280.415 3.618 10 0 CHAEHN COc1ccc([C@@H](C)N[C@H]2CCOc3ccccc32)cc1 ZINC000037074361 525165038 /nfs/dbraw/zinc/16/50/38/525165038.db2.gz VORINTKLCATZIC-DYVFJYSZSA-N 0 3 283.371 3.870 10 0 CHAEHN Cc1ccccc1[C@H](NCC1(C)COC1)c1ccccc1 ZINC000094721676 525429702 /nfs/dbraw/zinc/42/97/02/525429702.db2.gz KPZZVNRFKBBPLQ-GOSISDBHSA-N 0 3 281.399 3.711 10 0 CHAEHN C[C@@H]1c2ccsc2CCN1c1cc(Cl)ccc1CN ZINC000062787000 525735297 /nfs/dbraw/zinc/73/52/97/525735297.db2.gz FOYMHQYZEASILT-SNVBAGLBSA-N 0 3 292.835 3.984 10 0 CHAEHN Cc1ccc([C@@](C)(N)c2cc(F)ccc2F)cc1C ZINC000055242840 525867650 /nfs/dbraw/zinc/86/76/50/525867650.db2.gz QHNAJOMKLJXEFT-MRXNPFEDSA-N 0 3 261.315 3.804 10 0 CHAEHN C[C@H](c1nc(-c2ccccc2)no1)[C@@H](N)c1ccccc1 ZINC000157947573 526169322 /nfs/dbraw/zinc/16/93/22/526169322.db2.gz HUHHYQLXKLBWNN-SWLSCSKDSA-N 0 3 279.343 3.540 10 0 CHAEHN Cc1nc(Cc2ccc(F)cc2Cl)sc1[C@H](C)N ZINC000062608475 526927869 /nfs/dbraw/zinc/92/78/69/526927869.db2.gz WVEKFIYCSMYMGV-ZETCQYMHSA-N 0 3 284.787 3.855 10 0 CHAEHN N[C@@H](CC1CC1)c1cc2c(cccc2Br)o1 ZINC000675081240 567027031 /nfs/dbraw/zinc/02/70/31/567027031.db2.gz NRUHDXJZGWTILP-NSHDSACASA-N 0 3 280.165 3.995 10 0 CHAEHN N[C@H](CC1CC1)c1cc2cc(Br)ccc2o1 ZINC000309181078 567931521 /nfs/dbraw/zinc/93/15/21/567931521.db2.gz CHYVWWKXNUOWLF-LLVKDONJSA-N 0 3 280.165 3.995 10 0 CHAEHN COCc1nc(-c2ccc(C)cc2)sc1CNC1CC1 ZINC000082445333 178021666 /nfs/dbraw/zinc/02/16/66/178021666.db2.gz CPSNXJCQMREQOW-UHFFFAOYSA-N 0 3 288.416 3.517 10 0 CHAEHN CC(C)c1nc(C(C)(C)C)sc1CNC1CC1 ZINC000082430509 178008403 /nfs/dbraw/zinc/00/84/03/178008403.db2.gz CAEGSDLVGINZQT-UHFFFAOYSA-N 0 3 252.427 3.816 10 0 CHAEHN CC[C@@H](N)c1cc2cc(Br)ccc2o1 ZINC000083160720 178345209 /nfs/dbraw/zinc/34/52/09/178345209.db2.gz RBUTVFJUZZTIGR-SECBINFHSA-N 0 3 254.127 3.605 10 0 CHAEHN C[C@H](N)c1cc2cccc(Br)c2s1 ZINC000096884435 185120273 /nfs/dbraw/zinc/12/02/73/185120273.db2.gz HYHORQHFGFBIIJ-LURJTMIESA-N 0 3 256.168 3.684 10 0 CHAEHN COc1cc([C@@H](N)CC(C)C)c(OC)cc1C(C)C ZINC000096889453 185123973 /nfs/dbraw/zinc/12/39/73/185123973.db2.gz KSLTUNKPEDNLLE-AWEZNQCLSA-N 0 3 265.397 3.873 10 0 CHAEHN CN(C)C/C=C(/c1ccccc1)c1cccc(F)c1 ZINC000005688757 170129627 /nfs/dbraw/zinc/12/96/27/170129627.db2.gz LXFAPIFEQCWVJW-BOPFTXTBSA-N 0 3 255.336 3.819 10 0 CHAEHN COc1ccc([C@H](N)[C@H](C)Oc2cccc(C)c2C)cc1 ZINC000019254734 170758765 /nfs/dbraw/zinc/75/87/65/170758765.db2.gz OQISCDJONMTCPA-KBXCAEBGSA-N 0 3 285.387 3.779 10 0 CHAEHN CCOc1ccc([C@H](N)c2ccccc2C)cc1OCC ZINC000019967797 170949544 /nfs/dbraw/zinc/94/95/44/170949544.db2.gz AKPHIIROGOZOPR-SFHVURJKSA-N 0 3 285.387 3.841 10 0 CHAEHN C[C@@H](NCc1ccccc1C(F)(F)F)c1ccncc1 ZINC000020120983 170999322 /nfs/dbraw/zinc/99/93/22/170999322.db2.gz LHPQXRDRYKCCAB-LLVKDONJSA-N 0 3 280.293 3.951 10 0 CHAEHN CC[C@H](N[C@@H](C)c1cccnc1)c1ccc(O)cc1 ZINC000020127656 171012819 /nfs/dbraw/zinc/01/28/19/171012819.db2.gz AKUXAQAUPXEWRE-LRDDRELGSA-N 0 3 256.349 3.589 10 0 CHAEHN C[C@@H](N[C@@H](CN(C)C)c1ccccc1)c1cccs1 ZINC000020129348 171016914 /nfs/dbraw/zinc/01/69/14/171016914.db2.gz CTMBNTJVHVHCCU-HIFRSBDPSA-N 0 3 274.433 3.702 10 0 CHAEHN Cc1ccccc1[C@@H](C)N[C@@H](CN(C)C)c1ccccc1 ZINC000020129394 171017423 /nfs/dbraw/zinc/01/74/23/171017423.db2.gz OOEMEKRRCOTUKZ-APWZRJJASA-N 0 3 282.431 3.949 10 0 CHAEHN C[C@@H](N)c1ccccc1OCc1ccc2ccccc2n1 ZINC000020246131 171099603 /nfs/dbraw/zinc/09/96/03/171099603.db2.gz CBTLRBXDZMRGCR-CYBMUJFWSA-N 0 3 278.355 3.834 10 0 CHAEHN CC[C@H](Oc1ccccc1F)[C@H](N)c1ccccc1 ZINC000020262550 171119948 /nfs/dbraw/zinc/11/99/48/171119948.db2.gz HWXUQCARQLSBTM-GOEBONIOSA-N 0 3 259.324 3.683 10 0 CHAEHN N[C@H](Cc1nc2ccccc2o1)c1ccccc1Cl ZINC000020427714 171193412 /nfs/dbraw/zinc/19/34/12/171193412.db2.gz IZJZCJSOMANYKT-GFCCVEGCSA-N 0 3 272.735 3.724 10 0 CHAEHN C[C@@H](N)c1cc(F)ccc1O[C@H]1CCC[C@@H](C)C1 ZINC000020517097 171232687 /nfs/dbraw/zinc/23/26/87/171232687.db2.gz KIMRWIOFYBVALO-WZRBSPASSA-N 0 3 251.345 3.803 10 0 CHAEHN C[C@@H](N)c1cc(F)ccc1O[C@H]1CCC[C@H](C)C1 ZINC000020517098 171232803 /nfs/dbraw/zinc/23/28/03/171232803.db2.gz KIMRWIOFYBVALO-LOWVWBTDSA-N 0 3 251.345 3.803 10 0 CHAEHN C[C@@H]1CCC[C@H](Oc2cccc(Cl)c2CN)C1 ZINC000020517783 171233128 /nfs/dbraw/zinc/23/31/28/171233128.db2.gz SKGFZOJXJDVOND-MNOVXSKESA-N 0 3 253.773 3.756 10 0 CHAEHN CCOc1ccc(O[C@H](C)[C@@H](N)c2ccc(C)cc2)cc1 ZINC000020546341 171244102 /nfs/dbraw/zinc/24/41/02/171244102.db2.gz XOSPYPCUESVAEM-RDTXWAMCSA-N 0 3 285.387 3.861 10 0 CHAEHN CC(C)c1ccc(O[C@H]2COc3ccccc3[C@H]2N)cc1 ZINC000020566883 171254606 /nfs/dbraw/zinc/25/46/06/171254606.db2.gz KCIWEMHBWKHWOO-ZWKOTPCHSA-N 0 3 283.371 3.650 10 0 CHAEHN COc1cc([C@@H](N)c2ccc(C)c(C)c2)ccc1C ZINC000020587150 171259458 /nfs/dbraw/zinc/25/94/58/171259458.db2.gz WEDYRCPQAVLOQZ-KRWDZBQOSA-N 0 3 255.361 3.669 10 0 CHAEHN Cc1ccc(F)c(N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000020596027 171264356 /nfs/dbraw/zinc/26/43/56/171264356.db2.gz PEWRIIUESRCSIC-INIZCTEOSA-N 0 3 284.378 3.821 10 0 CHAEHN COC[C@H](C)N[C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000020826510 171273865 /nfs/dbraw/zinc/27/38/65/171273865.db2.gz DVAAAQRVMBYWLU-JKSUJKDBSA-N 0 3 299.414 3.951 10 0 CHAEHN Cc1n[nH]c(CCCN2CCCC[C@@H]2c2cccnc2)c1C ZINC000020868209 171276896 /nfs/dbraw/zinc/27/68/96/171276896.db2.gz BNNFWJNVWXBBIK-GOSISDBHSA-N 0 3 298.434 3.581 10 0 CHAEHN Cc1[nH]nc(CCCN2CCCC[C@@H]2c2cccnc2)c1C ZINC000020868209 171276897 /nfs/dbraw/zinc/27/68/97/171276897.db2.gz BNNFWJNVWXBBIK-GOSISDBHSA-N 0 3 298.434 3.581 10 0 CHAEHN CCc1ccc(OC[C@H](N)c2ccc(C)cc2)cc1 ZINC000021013746 171288853 /nfs/dbraw/zinc/28/88/53/171288853.db2.gz PAGDGXDPBICCPB-KRWDZBQOSA-N 0 3 255.361 3.636 10 0 CHAEHN CCc1ccc([C@@H](N)COc2ccc(C)cc2)cc1 ZINC000021505419 171307745 /nfs/dbraw/zinc/30/77/45/171307745.db2.gz NHLAVPQHPNGFGO-KRWDZBQOSA-N 0 3 255.361 3.636 10 0 CHAEHN CCc1ccc([C@H](N)COc2cc(C)cc(C)c2)cc1 ZINC000021511282 171310467 /nfs/dbraw/zinc/31/04/67/171310467.db2.gz DWUWHYVNGFJRIC-GOSISDBHSA-N 0 3 269.388 3.945 10 0 CHAEHN C[C@@H](N)c1cc(F)ccc1N1CCCCCCC1 ZINC000021518552 171314507 /nfs/dbraw/zinc/31/45/07/171314507.db2.gz NKQUCDWJBRVBCE-GFCCVEGCSA-N 0 3 250.361 3.616 10 0 CHAEHN COc1ccc(OC)c([C@H](N)CC2CCCCC2)c1 ZINC000021519145 171315182 /nfs/dbraw/zinc/31/51/82/171315182.db2.gz NKRJFKDSJODDBM-OAHLLOKOSA-N 0 3 263.381 3.674 10 0 CHAEHN Cc1ccc([C@@H](N)COC2CCC(C)CC2)cc1C ZINC000021814666 171331852 /nfs/dbraw/zinc/33/18/52/171331852.db2.gz IPZCWLPYXKJJDQ-SEFLRBGSSA-N 0 3 261.409 3.899 10 0 CHAEHN Cc1cc(C)c([C@@H](N)COc2ccccc2C)c(C)c1 ZINC000021819747 171334207 /nfs/dbraw/zinc/33/42/07/171334207.db2.gz IZENRYWOXRUKGE-INIZCTEOSA-N 0 3 269.388 3.999 10 0 CHAEHN Cc1ccc([C@H](N)COc2ccc(F)cc2)c(C)c1 ZINC000023068392 171408760 /nfs/dbraw/zinc/40/87/60/171408760.db2.gz CDODANBUXLDBNW-MRXNPFEDSA-N 0 3 259.324 3.521 10 0 CHAEHN CN(C)CCNc1cc(-c2ccccc2)c2ccccc2n1 ZINC000029207038 171589340 /nfs/dbraw/zinc/58/93/40/171589340.db2.gz NIRVSZIDASGULS-UHFFFAOYSA-N 0 3 291.398 3.875 10 0 CHAEHN CCCN(c1cccc(F)c1[C@H](C)NC)C(C)C ZINC000034841340 171884284 /nfs/dbraw/zinc/88/42/84/171884284.db2.gz CUQVIEKJQIDHFK-LBPRGKRZSA-N 0 3 252.377 3.731 10 0 CHAEHN Cc1cc([C@H](N)c2cc3c(s2)CCC3)c(C)s1 ZINC000035381404 172163206 /nfs/dbraw/zinc/16/32/06/172163206.db2.gz UWPVBBPHQJUORW-AWEZNQCLSA-N 0 3 263.431 3.963 10 0 CHAEHN COc1ccc([C@@H](N)c2cccs2)cc1Br ZINC000035381673 172164360 /nfs/dbraw/zinc/16/43/60/172164360.db2.gz QJECJSNYGQMJBH-GFCCVEGCSA-N 0 3 298.205 3.567 10 0 CHAEHN COc1ccc([C@@H](N)c2ccsc2)c2ccccc12 ZINC000035381790 172164807 /nfs/dbraw/zinc/16/48/07/172164807.db2.gz VZHZZCHLOIHYHN-INIZCTEOSA-N 0 3 269.369 3.958 10 0 CHAEHN CN[C@@H](CC(C)C)c1cc(Br)ccc1OC ZINC000035456604 172206932 /nfs/dbraw/zinc/20/69/32/172206932.db2.gz VRLNULMWEKBUBO-LBPRGKRZSA-N 0 3 286.213 3.764 10 0 CHAEHN CN[C@@H](c1ccc(Br)cc1)c1cccc(F)c1 ZINC000035462822 172210665 /nfs/dbraw/zinc/21/06/65/172210665.db2.gz ZVUJFRNSUWBAON-AWEZNQCLSA-N 0 3 294.167 3.897 10 0 CHAEHN CN[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000035462959 172210853 /nfs/dbraw/zinc/21/08/53/172210853.db2.gz MJVWFBYMOKWQDN-VIFPVBQESA-N 0 3 282.103 3.662 10 0 CHAEHN CN[C@H](c1ccc(Br)s1)c1ccccc1 ZINC000035464847 172212245 /nfs/dbraw/zinc/21/22/45/172212245.db2.gz OTPTYVOXIFPENU-LBPRGKRZSA-N 0 3 282.206 3.819 10 0 CHAEHN CN[C@@H](c1ccc(OC)cc1)c1cccc(Cl)c1 ZINC000035465906 172213078 /nfs/dbraw/zinc/21/30/78/172213078.db2.gz PLBCFERBMJIPBN-HNNXBMFYSA-N 0 3 261.752 3.657 10 0 CHAEHN CCOc1ccc([C@@H](NC)c2sccc2C)cc1 ZINC000035466379 172213890 /nfs/dbraw/zinc/21/38/90/172213890.db2.gz DNGSCFHWAKLJCE-CQSZACIVSA-N 0 3 261.390 3.764 10 0 CHAEHN CCCCC[C@H](NC)c1ccc(OC)cc1OC ZINC000035488799 172224130 /nfs/dbraw/zinc/22/41/30/172224130.db2.gz XYIIYQPTEVJYSN-AWEZNQCLSA-N 0 3 251.370 3.545 10 0 CHAEHN CN[C@H](c1ccsc1)c1ccc(OC(C)C)cc1 ZINC000035498560 172232430 /nfs/dbraw/zinc/23/24/30/172232430.db2.gz SGMJMDGKOFKHBT-HNNXBMFYSA-N 0 3 261.390 3.844 10 0 CHAEHN CCC[C@H](NC)c1cc(Br)ccc1OCC ZINC000035505575 172239201 /nfs/dbraw/zinc/23/92/01/172239201.db2.gz NRXWWVXGKFNSQH-LBPRGKRZSA-N 0 3 286.213 3.908 10 0 CHAEHN CN[C@@H](c1sccc1C)c1ccc(OC)c(F)c1 ZINC000035507447 172239694 /nfs/dbraw/zinc/23/96/94/172239694.db2.gz CUEGQHIUAIVLNT-CYBMUJFWSA-N 0 3 265.353 3.513 10 0 CHAEHN CCN[C@H](CC(F)(F)F)c1ccc2c(c1)CCC2 ZINC000035551645 172259488 /nfs/dbraw/zinc/25/94/88/172259488.db2.gz LLSIKRUMVZDNOS-CYBMUJFWSA-N 0 3 257.299 3.778 10 0 CHAEHN CCN[C@@H](c1cc2c(cc1Cl)OCCCO2)C1CC1 ZINC000035557390 172262743 /nfs/dbraw/zinc/26/27/43/172262743.db2.gz DFEADKQPHSBKQA-OAHLLOKOSA-N 0 3 281.783 3.562 10 0 CHAEHN CCN[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 ZINC000035558265 172263565 /nfs/dbraw/zinc/26/35/65/172263565.db2.gz GMAJZBXSRFCWMY-CHWSQXEVSA-N 0 3 274.191 3.823 10 0 CHAEHN CCN[C@H](Cc1ncc[nH]1)c1cc(Cl)ccc1Cl ZINC000035570550 172266218 /nfs/dbraw/zinc/26/62/18/172266218.db2.gz PCLMGMRUFOBLMV-GFCCVEGCSA-N 0 3 284.190 3.610 10 0 CHAEHN CCN[C@H](CC(F)(F)F)c1ccc(OC)c(C)c1 ZINC000035571688 172267081 /nfs/dbraw/zinc/26/70/81/172267081.db2.gz JNDRNVPPPNVSPN-LLVKDONJSA-N 0 3 261.287 3.607 10 0 CHAEHN CCN[C@@H](CC(F)(F)F)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035571071 172267462 /nfs/dbraw/zinc/26/74/62/172267462.db2.gz RQRCSAJEONDPNG-SKDRFNHKSA-N 0 3 273.298 3.613 10 0 CHAEHN CCN[C@@H](c1ccsc1)c1ccc(OC)c(F)c1 ZINC000035572038 172268306 /nfs/dbraw/zinc/26/83/06/172268306.db2.gz XHNKAYPIZKWMAV-CQSZACIVSA-N 0 3 265.353 3.595 10 0 CHAEHN CCCCOc1c(Cl)cc(Cl)cc1CNC ZINC000035661948 172339424 /nfs/dbraw/zinc/33/94/24/172339424.db2.gz XRTQKMULDDLBAR-UHFFFAOYSA-N 0 3 262.180 3.892 10 0 CHAEHN CCc1cc(Oc2ccc(CN)cn2)ccc1Cl ZINC000035719867 172373660 /nfs/dbraw/zinc/37/36/60/172373660.db2.gz MZTHIKWGLWQLIN-UHFFFAOYSA-N 0 3 262.740 3.548 10 0 CHAEHN CCN[C@@H]1c2cc(Cl)cc(Cl)c2OC[C@@H]1C ZINC000035754488 172396374 /nfs/dbraw/zinc/39/63/74/172396374.db2.gz SFLUBERQXYUBKM-CPCISQLKSA-N 0 3 260.164 3.673 10 0 CHAEHN CCN[C@H]1c2cc(Cl)cc(Cl)c2OC[C@H]1C ZINC000035754492 172396503 /nfs/dbraw/zinc/39/65/03/172396503.db2.gz SFLUBERQXYUBKM-RDDDGLTNSA-N 0 3 260.164 3.673 10 0 CHAEHN CCOc1ccc(-c2csc([C@@H](N)C(C)C)n2)cc1 ZINC000036175642 172495669 /nfs/dbraw/zinc/49/56/69/172495669.db2.gz CBMNXSMMIQZAKM-AWEZNQCLSA-N 0 3 276.405 3.865 10 0 CHAEHN CCc1ccccc1OC[C@H](N)c1ccccc1C ZINC000036669267 172647347 /nfs/dbraw/zinc/64/73/47/172647347.db2.gz HXQNIRJOAZPMHS-INIZCTEOSA-N 0 3 255.361 3.636 10 0 CHAEHN Cc1csc2nc(C)c(CN[C@@H](C)c3ccccc3)n12 ZINC000037185730 173017327 /nfs/dbraw/zinc/01/73/27/173017327.db2.gz AVCWHVCKXZWHSW-LBPRGKRZSA-N 0 3 285.416 3.863 10 0 CHAEHN CC(C)NCc1cc(F)ccc1N1CCCCCC1 ZINC000037236077 173054687 /nfs/dbraw/zinc/05/46/87/173054687.db2.gz SSMBDOFNUVZDMS-UHFFFAOYSA-N 0 3 264.388 3.704 10 0 CHAEHN CSCC[C@H](N)c1nc2ccccc2n1C(C)(C)C ZINC000037323681 173124019 /nfs/dbraw/zinc/12/40/19/173124019.db2.gz SOFBXSVIXVYXRI-NSHDSACASA-N 0 3 277.437 3.544 10 0 CHAEHN CCCN(C(C)C)[C@H](C)C(=O)c1ccc(CC)cc1 ZINC000037335226 173136597 /nfs/dbraw/zinc/13/65/97/173136597.db2.gz STWPXDCTGKDXLZ-CQSZACIVSA-N 0 3 261.409 3.941 10 0 CHAEHN CC(C)[C@H](N)c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440691 173210215 /nfs/dbraw/zinc/21/02/15/173210215.db2.gz MNRPEXIOFOCQQW-ZDUSSCGKSA-N 0 3 265.788 3.926 10 0 CHAEHN CC(C)[C@@H](N)c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440693 173210548 /nfs/dbraw/zinc/21/05/48/173210548.db2.gz MNRPEXIOFOCQQW-CYBMUJFWSA-N 0 3 265.788 3.926 10 0 CHAEHN COc1ccccc1[C@@](C)(N)c1cccc(Cl)c1 ZINC000037529707 173252690 /nfs/dbraw/zinc/25/26/90/173252690.db2.gz DHPIBJCTEQKVFB-HNNXBMFYSA-N 0 3 261.752 3.571 10 0 CHAEHN CC(C)[C@@H](OCc1ccccc1)[C@@H](N)c1ccccc1 ZINC000037981157 173941269 /nfs/dbraw/zinc/94/12/69/173941269.db2.gz CKYUOBOKVXKSFN-ZWKOTPCHSA-N 0 3 269.388 3.928 10 0 CHAEHN CCCN[C@H](C)c1c(F)cccc1-n1cc(Cl)cn1 ZINC000038053659 174065061 /nfs/dbraw/zinc/06/50/61/174065061.db2.gz OQBRJXLKZITYHA-SNVBAGLBSA-N 0 3 281.762 3.725 10 0 CHAEHN CNCc1cc(-c2cc(Cl)ccc2OC)ccc1F ZINC000038071043 174082238 /nfs/dbraw/zinc/08/22/38/174082238.db2.gz LUNQJATXXMSBQY-UHFFFAOYSA-N 0 3 279.742 3.874 10 0 CHAEHN CCNCc1cc(-c2ccc(F)c(F)c2)ccc1F ZINC000038072608 174082873 /nfs/dbraw/zinc/08/28/73/174082873.db2.gz SJGZZIXFBNURFC-UHFFFAOYSA-N 0 3 265.278 3.880 10 0 CHAEHN Cc1cc(C)cc(COc2ccccc2[C@H](C)N)c1 ZINC000038076656 174087444 /nfs/dbraw/zinc/08/74/44/174087444.db2.gz IUWOOGUYVIUHPC-AWEZNQCLSA-N 0 3 255.361 3.902 10 0 CHAEHN CCN[C@H](Cc1ccccn1)c1ccccc1Cl ZINC000038078594 174088750 /nfs/dbraw/zinc/08/87/50/174088750.db2.gz XUXZCKMNNPGDGC-OAHLLOKOSA-N 0 3 260.768 3.628 10 0 CHAEHN CCN[C@@H]1CC(C)(C)Oc2cc(OC(C)C)ccc21 ZINC000043460372 175051055 /nfs/dbraw/zinc/05/10/55/175051055.db2.gz FHSDXXMOQUUGOI-CQSZACIVSA-N 0 3 263.381 3.686 10 0 CHAEHN CC[C@@H](NC1=NC[C@@H](C2CC2)S1)c1ccccc1 ZINC000071307935 176116097 /nfs/dbraw/zinc/11/60/97/176116097.db2.gz BZNPZKUJENBAEN-KGLIPLIRSA-N 0 3 260.406 3.609 10 0 CHAEHN CC[C@@H](NC1=NC[C@H](C2CC2)S1)c1ccccc1 ZINC000071307931 176116519 /nfs/dbraw/zinc/11/65/19/176116519.db2.gz BZNPZKUJENBAEN-ZIAGYGMSSA-N 0 3 260.406 3.609 10 0 CHAEHN COc1ccc([C@@H]2NCC(C)(C)c3cc(OC)ccc32)cc1 ZINC000071652002 176241655 /nfs/dbraw/zinc/24/16/55/176241655.db2.gz COTCOLAHSGCODS-SFHVURJKSA-N 0 3 297.398 3.674 10 0 CHAEHN CCN[C@H](C)c1csc(-c2cccc(F)c2)n1 ZINC000076784541 177091803 /nfs/dbraw/zinc/09/18/03/177091803.db2.gz MDNAHEVHMBQLBS-SECBINFHSA-N 0 3 250.342 3.620 10 0 CHAEHN C[C@@H](N)c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000076784721 177092467 /nfs/dbraw/zinc/09/24/67/177092467.db2.gz PKSCZLCSMAAICM-SSDOTTSWSA-N 0 3 272.295 3.849 10 0 CHAEHN CCOc1ccc([C@H](N)c2c(C)oc(C)c2C)cc1 ZINC000077088660 177212393 /nfs/dbraw/zinc/21/23/93/177212393.db2.gz KDFNEZNDTPVIHS-INIZCTEOSA-N 0 3 259.349 3.652 10 0 CHAEHN FC1(F)CCC[C@@H](N[C@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000330206457 228066135 /nfs/dbraw/zinc/06/61/35/228066135.db2.gz DGLLMAQNVMEVIW-OLZOCXBDSA-N 0 3 298.381 3.594 10 0 CHAEHN FC1(F)CCC[C@@H](N[C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000330206457 228066136 /nfs/dbraw/zinc/06/61/36/228066136.db2.gz DGLLMAQNVMEVIW-OLZOCXBDSA-N 0 3 298.381 3.594 10 0 CHAEHN CCn1cccc1CN[C@H](c1ccccc1)C1CC1 ZINC000091024562 260265176 /nfs/dbraw/zinc/26/51/76/260265176.db2.gz TYZKCHSQDFBNAO-QGZVFWFLSA-N 0 3 254.377 3.749 10 0 CHAEHN CC(C)[C@H](C)N[C@H](C)c1ncc(Br)s1 ZINC000126404183 260351374 /nfs/dbraw/zinc/35/13/74/260351374.db2.gz MUAKUVJGSYASCS-JGVFFNPUSA-N 0 3 277.231 3.601 10 0 CHAEHN C[C@H](C(=O)Nc1cccc(Cl)c1)[C@@H](N)c1ccccc1 ZINC000130059200 260392215 /nfs/dbraw/zinc/39/22/15/260392215.db2.gz YCGVQNKZECLDSJ-XHDPSFHLSA-N 0 3 288.778 3.615 10 0 CHAEHN CCn1nc(C)c([C@@H](C)NCc2ccccc2C)c1C ZINC000045171499 260650378 /nfs/dbraw/zinc/65/03/78/260650378.db2.gz RUHAWOSHVJZHPM-CYBMUJFWSA-N 0 3 271.408 3.679 10 0 CHAEHN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1cc(C)cc(C)c1 ZINC000106206191 261322851 /nfs/dbraw/zinc/32/28/51/261322851.db2.gz MTVYBEISADLFIA-GOSISDBHSA-N 0 3 297.446 3.991 10 0 CHAEHN CC(C)(C)OC(=O)CCCN1CCC[C@H]1c1ccco1 ZINC000181889302 329238394 /nfs/dbraw/zinc/23/83/94/329238394.db2.gz HZORSAGPUDEGPM-ZDUSSCGKSA-N 0 3 279.380 3.538 10 0 CHAEHN C=Cn1cc(CN[C@@H](C)c2ccc3ccccc3c2)cn1 ZINC000194178857 329066492 /nfs/dbraw/zinc/06/64/92/329066492.db2.gz AHCIXGCTPYAMJZ-AWEZNQCLSA-N 0 3 277.371 3.988 10 0 CHAEHN C[C@@H](N[C@@H](c1ccncc1)c1ccc(F)cc1)C1CC1 ZINC000177313151 329185889 /nfs/dbraw/zinc/18/58/89/329185889.db2.gz XDZPPKCGPYWFBN-SJKOYZFVSA-N 0 3 270.351 3.698 10 0 CHAEHN Cc1ccc([C@@H](C)NCCC(=O)c2ccc(C)cc2)o1 ZINC000187493893 329358286 /nfs/dbraw/zinc/35/82/86/329358286.db2.gz PUAMAISEVCKOID-CQSZACIVSA-N 0 3 271.360 3.820 10 0 CHAEHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(F)cc(F)c1 ZINC000248760640 329898790 /nfs/dbraw/zinc/89/87/90/329898790.db2.gz VYRDOYULOPHTPQ-MZORAGNBSA-N 0 3 293.357 3.573 10 0 CHAEHN Cc1ccc(OC(F)F)c([C@H](C)N[C@@H]2C[C@@H]2C)c1 ZINC000120443805 330387922 /nfs/dbraw/zinc/38/79/22/330387922.db2.gz ASQQQNZGEXFRAF-JBLDHEPKSA-N 0 3 255.308 3.655 10 0 CHAEHN Cn1nccc1C1CCN(Cc2coc3ccccc23)CC1 ZINC000092810319 330414128 /nfs/dbraw/zinc/41/41/28/330414128.db2.gz MIPHXPHXOGUUFH-UHFFFAOYSA-N 0 3 295.386 3.546 10 0 CHAEHN C[C@@H]1C[C@H]1NCc1ccc(Cl)cc1Br ZINC000149770460 330577913 /nfs/dbraw/zinc/57/79/13/330577913.db2.gz PWHSRTBVZSDXFN-RDDDGLTNSA-N 0 3 274.589 3.601 10 0 CHAEHN Cc1ccc([C@H](C)NC[C@H](O)CC2CCCC2)cc1F ZINC000232133319 333334437 /nfs/dbraw/zinc/33/44/37/333334437.db2.gz VWBXNVQZVLBGCH-XJKSGUPXSA-N 0 3 279.399 3.726 10 0 CHAEHN Oc1cccc2c1CC[C@@H]2NCCSc1ccccc1 ZINC000037904171 333542676 /nfs/dbraw/zinc/54/26/76/333542676.db2.gz OORGWYRRSHURNM-INIZCTEOSA-N 0 3 285.412 3.761 10 0 CHAEHN COc1cccc(F)c1[C@@H](C)NC[C@H]1Cc2ccccc21 ZINC000135144575 334117590 /nfs/dbraw/zinc/11/75/90/334117590.db2.gz ZLNZIIFUROXOSS-TZMCWYRMSA-N 0 3 285.362 3.825 10 0 CHAEHN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccncc1)[C@H](C)C2 ZINC000245691049 334212886 /nfs/dbraw/zinc/21/28/86/334212886.db2.gz KJPFPMRCFVQLKU-HBUWYVDXSA-N 0 3 266.388 3.974 10 0 CHAEHN CSCC1CCC(N[C@@H]2COc3ccccc32)CC1 ZINC000385444154 336146403 /nfs/dbraw/zinc/14/64/03/336146403.db2.gz RLDDMIVUVZGJLR-SSDMNJCBSA-N 0 3 277.433 3.632 10 0 CHAEHN CC(C)CCC[C@H](C)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601258 519646123 /nfs/dbraw/zinc/64/61/23/519646123.db2.gz KBIDDHOBQLJGTF-SOUVJXGZSA-N 0 3 251.414 3.787 10 0 CHAEHN CCCNCc1nc(CN(C)[C@@H](C)C(C)(C)C)cs1 ZINC000052504221 519965699 /nfs/dbraw/zinc/96/56/99/519965699.db2.gz VILXCLNGZOUHNK-LBPRGKRZSA-N 0 3 283.485 3.509 10 0 CHAEHN CC(C)(C)CC(C)(C)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601247 518626068 /nfs/dbraw/zinc/62/60/68/518626068.db2.gz SEYLIFAKTVSGRE-BETUJISGSA-N 0 3 251.414 3.787 10 0 CHAEHN CC(C)C[C@H](C)OCc1ccoc1CNC(C)C ZINC000052603394 519324320 /nfs/dbraw/zinc/32/43/20/519324320.db2.gz OHDYGMALOAOMIB-ZDUSSCGKSA-N 0 3 253.386 3.729 10 0 CHAEHN CC(C)[C@@H](CN(C)C)NCc1ccc(Cl)cc1Cl ZINC000049195323 519793697 /nfs/dbraw/zinc/79/36/97/519793697.db2.gz WDYDDGFVSJOEBQ-CQSZACIVSA-N 0 3 289.250 3.669 10 0 CHAEHN CC(C)[C@@H](N)c1nc2c(s1)C[C@H](C(C)C)CC2 ZINC000054556842 519796486 /nfs/dbraw/zinc/79/64/86/519796486.db2.gz FIHWUUOEKCBLHZ-ZWNOBZJWSA-N 0 3 252.427 3.560 10 0 CHAEHN CC(C)c1ccc([C@@H](N)CNC(=O)C[C@H](C)C(C)C)cc1 ZINC000236658216 519839359 /nfs/dbraw/zinc/83/93/59/519839359.db2.gz DXKJMRLPJINORI-YOEHRIQHSA-N 0 3 290.451 3.608 10 0 CHAEHN CCNCc1cc(Cl)ccc1OC[C@@H](C)CC ZINC000050423636 519990626 /nfs/dbraw/zinc/99/06/26/519990626.db2.gz SGQVMEWFSUNFNB-NSHDSACASA-N 0 3 255.789 3.874 10 0 CHAEHN CCCN[C@@H](c1ccccn1)c1cc(C)ccc1C ZINC000053303302 520017496 /nfs/dbraw/zinc/01/74/96/520017496.db2.gz LUFVGKNLDZFSCW-QGZVFWFLSA-N 0 3 254.377 3.787 10 0 CHAEHN CCCN[C@H](CC(F)(F)F)c1cc(F)cc(F)c1 ZINC000055225666 520066985 /nfs/dbraw/zinc/06/69/85/520066985.db2.gz YLEBFEVNNPQTIT-LLVKDONJSA-N 0 3 267.241 3.958 10 0 CHAEHN CCN[C@H](c1cccs1)c1ccc2ncccc2c1 ZINC000061414457 520212588 /nfs/dbraw/zinc/21/25/88/520212588.db2.gz MLLACYRXUIWYAP-INIZCTEOSA-N 0 3 268.385 3.995 10 0 CHAEHN CC1(C)CCc2ccccc2[C@@H]1NCc1ccccn1 ZINC000126152915 520412515 /nfs/dbraw/zinc/41/25/15/520412515.db2.gz XZLMBVOKRFWJSF-KRWDZBQOSA-N 0 3 266.388 3.885 10 0 CHAEHN CCOc1c(Br)cccc1CNC(C)(C)C ZINC000062733483 520593334 /nfs/dbraw/zinc/59/33/34/520593334.db2.gz WOCJDODWWHFNMM-UHFFFAOYSA-N 0 3 286.213 3.736 10 0 CHAEHN CCN(c1nc(C)c([C@H](C)N)s1)c1ccc(C)cc1 ZINC000054897230 521506119 /nfs/dbraw/zinc/50/61/19/521506119.db2.gz SUYPYGKWKNPSIY-NSHDSACASA-N 0 3 275.421 3.938 10 0 CHAEHN CC[C@H](C)OCc1cc(C)c(CNCC(C)C)o1 ZINC000052669348 521755285 /nfs/dbraw/zinc/75/52/85/521755285.db2.gz PVFSJIPGUQDGBG-ZDUSSCGKSA-N 0 3 253.386 3.649 10 0 CHAEHN CN[C@H](c1cc(Cl)ccc1Cl)[C@H]1CCCCO1 ZINC000050961745 522478008 /nfs/dbraw/zinc/47/80/08/522478008.db2.gz ANQVGJOLCXCKKJ-CHWSQXEVSA-N 0 3 274.191 3.823 10 0 CHAEHN CC[C@@H](NCc1ccccc1OC)c1cccs1 ZINC000020087208 522883463 /nfs/dbraw/zinc/88/34/63/522883463.db2.gz RFJMWJQLVKPWPI-CYBMUJFWSA-N 0 3 261.390 3.998 10 0 CHAEHN CCc1ccc([C@@H]2CCCCN2CCCCCO)o1 ZINC000130974976 524035226 /nfs/dbraw/zinc/03/52/26/524035226.db2.gz ORUFCXCIWGKZQG-HNNXBMFYSA-N 0 3 265.397 3.532 10 0 CHAEHN COc1ccccc1[C@H](N)Cc1cc(C)ccc1C ZINC000049257932 524792632 /nfs/dbraw/zinc/79/26/32/524792632.db2.gz UOMYPBJXPLBVLT-MRXNPFEDSA-N 0 3 255.361 3.555 10 0 CHAEHN Cc1ccc(F)c(NC2CCN(c3ccncc3)CC2)c1 ZINC000037374300 524823959 /nfs/dbraw/zinc/82/39/59/524823959.db2.gz JACZBHKJENCPAG-UHFFFAOYSA-N 0 3 285.366 3.610 10 0 CHAEHN C[C@H](N)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000052924075 524865370 /nfs/dbraw/zinc/86/53/70/524865370.db2.gz VYWIHDPGAJETTF-QMMMGPOBSA-N 0 3 255.239 3.985 10 0 CHAEHN C[C@H](NCc1c[nH]cn1)c1ccc(C(C)(C)C)cc1 ZINC000054764182 525428011 /nfs/dbraw/zinc/42/80/11/525428011.db2.gz MVZIVCJVBNJSLY-LBPRGKRZSA-N 0 3 257.381 3.558 10 0 CHAEHN C[C@H](NCc1cnc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000054764182 525428015 /nfs/dbraw/zinc/42/80/15/525428015.db2.gz MVZIVCJVBNJSLY-LBPRGKRZSA-N 0 3 257.381 3.558 10 0 CHAEHN C[C@@H](NCc1c[nH]cn1)c1ccc(C(C)(C)C)cc1 ZINC000054764184 525511798 /nfs/dbraw/zinc/51/17/98/525511798.db2.gz MVZIVCJVBNJSLY-GFCCVEGCSA-N 0 3 257.381 3.558 10 0 CHAEHN C[C@@H](NCc1cnc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000054764184 525511808 /nfs/dbraw/zinc/51/18/08/525511808.db2.gz MVZIVCJVBNJSLY-GFCCVEGCSA-N 0 3 257.381 3.558 10 0 CHAEHN C[C@H](N[C@H]1CCc2ccccc21)c1ccc2c(c1)CCO2 ZINC000037229971 525632875 /nfs/dbraw/zinc/63/28/75/525632875.db2.gz GUISENORZJONDY-UGSOOPFHSA-N 0 3 279.383 3.960 10 0 CHAEHN Cc1c(CNC(C)C)cnn1-c1c(C)cc(C)cc1C ZINC000055265786 525723078 /nfs/dbraw/zinc/72/30/78/525723078.db2.gz QMBQIGYMASAPEQ-UHFFFAOYSA-N 0 3 271.408 3.604 10 0 CHAEHN Cc1ccc2c(c1)nc(N)n2CC1CCC(C)CC1 ZINC000063146055 526220294 /nfs/dbraw/zinc/22/02/94/526220294.db2.gz ZAAWYSXNSHAVNT-UHFFFAOYSA-N 0 3 257.381 3.753 10 0 CHAEHN Cc1csc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1 ZINC000156981159 526421598 /nfs/dbraw/zinc/42/15/98/526421598.db2.gz YYBCHTMCADBULZ-CQSZACIVSA-N 0 3 290.407 3.970 10 0 CHAEHN Cc1nc(-c2c(F)cccc2F)sc1CNC1CC1 ZINC000052330848 526559742 /nfs/dbraw/zinc/55/97/42/526559742.db2.gz WJROWNATUZWSOB-UHFFFAOYSA-N 0 3 280.343 3.649 10 0 CHAEHN c1coc([C@H](NCCCOCC2CC2)c2ccccc2)c1 ZINC000020190868 526570344 /nfs/dbraw/zinc/57/03/44/526570344.db2.gz AGBZYTQHDQVHEY-GOSISDBHSA-N 0 3 285.387 3.775 10 0 CHAEHN Clc1cc2nc([C@H]3CCCN3)oc2c(Cl)c1 ZINC000062537942 526933477 /nfs/dbraw/zinc/93/34/77/526933477.db2.gz YAIIQMAPEOPCGF-MRVPVSSYSA-N 0 3 257.120 3.559 10 0 CHAEHN NCc1csc(C2(c3ccccc3)CCCCC2)n1 ZINC000062783030 527264257 /nfs/dbraw/zinc/26/42/57/527264257.db2.gz ITTUIHNZNJOOOP-UHFFFAOYSA-N 0 3 272.417 3.852 10 0 CHAEHN NCc1sc2ccccc2c1COC1CCCC1 ZINC000052600771 527269197 /nfs/dbraw/zinc/26/91/97/527269197.db2.gz OTCOPDXJKSPNST-UHFFFAOYSA-N 0 3 261.390 3.819 10 0 CHAEHN N[C@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000001665988 560183529 /nfs/dbraw/zinc/18/35/29/560183529.db2.gz ILMMSBJXXQIEEM-ZIAGYGMSSA-N 0 3 282.170 3.727 10 0 in-vitro CHAEHN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](C)O)cc1 ZINC000036101986 566993275 /nfs/dbraw/zinc/99/32/75/566993275.db2.gz MFMDMCXGPNTPGW-OAHLLOKOSA-N 0 3 287.378 3.517 10 0 CHAEHN CC(C)c1nc(CNC[C@H]2CCO[C@@H]2C(C)(C)C)cs1 ZINC000328635758 567120685 /nfs/dbraw/zinc/12/06/85/567120685.db2.gz VBMDHRQIVABDCP-OCCSQVGLSA-N 0 3 296.480 3.807 10 0 CHAEHN Clc1ccc([C@@H]2NCCc3ccsc32)s1 ZINC000712590898 567852095 /nfs/dbraw/zinc/85/20/95/567852095.db2.gz OZRLKQYZVZQTLN-JTQLQIEISA-N 0 3 255.795 3.698 10 0 CHAEHN CCOc1c(Cl)cc(CNC2CC2)cc1Cl ZINC000010475296 567861914 /nfs/dbraw/zinc/86/19/14/567861914.db2.gz FONJEGXCOROEPP-UHFFFAOYSA-N 0 3 260.164 3.644 10 0 CHAEHN CC(C)(C)NCc1cc(Cl)nc(C(F)(F)F)c1 ZINC000725270205 567924417 /nfs/dbraw/zinc/92/44/17/567924417.db2.gz IOZUELPJZZWWTB-UHFFFAOYSA-N 0 3 266.694 3.642 10 0 CHAEHN CC[C@@H](CO)N(C/C(C)=C/c1ccco1)Cc1ccco1 ZINC000055212074 570241513 /nfs/dbraw/zinc/24/15/13/570241513.db2.gz WEELIWZIYYAHGL-IPJDOKCGSA-N 0 3 289.375 3.549 10 0 CHAEHN N[C@@H](CC1CC1)c1cc2ccc(Br)cc2o1 ZINC000675080346 570368902 /nfs/dbraw/zinc/36/89/02/570368902.db2.gz CGNBCERSLIZMCV-NSHDSACASA-N 0 3 280.165 3.995 10 0 CHAEHN CCNCc1sc(-c2ccc(Cl)cc2)nc1COC ZINC000082445312 178021570 /nfs/dbraw/zinc/02/15/70/178021570.db2.gz ZQQTVYBCRPORHO-UHFFFAOYSA-N 0 3 296.823 3.719 10 0 CHAEHN CCc1nc(-c2ccc(C)cc2)sc1CNC1CC1 ZINC000082422889 177996863 /nfs/dbraw/zinc/99/68/63/177996863.db2.gz GGJFLFJRWQQNGQ-UHFFFAOYSA-N 0 3 272.417 3.933 10 0 CHAEHN CNCc1sc(Cc2ccccc2OC)nc1C(C)C ZINC000082429578 178006952 /nfs/dbraw/zinc/00/69/52/178006952.db2.gz KYCZEXYLTBUJCW-UHFFFAOYSA-N 0 3 290.432 3.585 10 0 CHAEHN CC(C)c1nc(Cc2cccc(Cl)c2)sc1CN ZINC000082429766 178007457 /nfs/dbraw/zinc/00/74/57/178007457.db2.gz ZJXXKIPDHVHHOK-UHFFFAOYSA-N 0 3 280.824 3.969 10 0 CHAEHN CCN[C@@H]1CC2(CCCCC2)Oc2ccc(F)cc21 ZINC000082509121 178075256 /nfs/dbraw/zinc/07/52/56/178075256.db2.gz DMWDDLQHNCHFHP-CQSZACIVSA-N 0 3 263.356 3.962 10 0 CHAEHN CC(=O)[C@H]1C[C@@H](c2ccccc2)N(Cc2ccccc2)C1 ZINC000095764186 185027548 /nfs/dbraw/zinc/02/75/48/185027548.db2.gz HPIOOTFKTKCKLG-OALUTQOASA-N 0 3 279.383 3.839 10 0 CHAEHN NCc1ccc(C(F)(F)F)cc1OCc1ccccc1 ZINC000095830245 185029284 /nfs/dbraw/zinc/02/92/84/185029284.db2.gz CCPPVEPFHHMSEP-UHFFFAOYSA-N 0 3 281.277 3.743 10 0 CHAEHN CCCc1nc(Cc2ccccc2)c(N)n1C(C)C ZINC000103501450 185845647 /nfs/dbraw/zinc/84/56/47/185845647.db2.gz VWVYIVADLQHCQH-UHFFFAOYSA-N 0 3 257.381 3.590 10 0 CHAEHN CCCCCC[C@@H](C)N1CCNCc2ccccc21 ZINC000104156588 185913596 /nfs/dbraw/zinc/91/35/96/185913596.db2.gz XQHIBBDMIYIKPZ-OAHLLOKOSA-N 0 3 260.425 3.955 10 0 CHAEHN Cn1cc([C@@H]2CCCN2Cc2csc3ccccc23)cn1 ZINC000171413543 335065217 /nfs/dbraw/zinc/06/52/17/335065217.db2.gz YHEYDLWFPXWPSJ-INIZCTEOSA-N 0 3 297.427 3.972 10 0 CHAEHN CC(C)c1ccc(CN2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000171413136 335065326 /nfs/dbraw/zinc/06/53/26/335065326.db2.gz BBEVUOIMBTWAFC-SFHVURJKSA-N 0 3 283.419 3.881 10 0 CHAEHN CC(C)OCCCNCc1ccc(-c2ccccc2F)o1 ZINC000013721946 170581805 /nfs/dbraw/zinc/58/18/05/170581805.db2.gz CFCXYHVJMXVCNI-UHFFFAOYSA-N 0 3 291.366 3.990 10 0 CHAEHN CCc1cccc(O[C@@H](CN)c2ccc(Cl)cc2)c1 ZINC000019671011 170835708 /nfs/dbraw/zinc/83/57/08/170835708.db2.gz HPGRPAKYBQNTLH-INIZCTEOSA-N 0 3 275.779 3.981 10 0 CHAEHN C[C@@H](NC(C1CC1)C1CC1)c1c(F)cccc1F ZINC000020130903 171020197 /nfs/dbraw/zinc/02/01/97/171020197.db2.gz IRNHRHNPFNPXEP-SECBINFHSA-N 0 3 251.320 3.804 10 0 CHAEHN Cc1cc(C)c([C@@H](C)NCc2ccncc2)c(C)c1 ZINC000020140061 171027138 /nfs/dbraw/zinc/02/71/38/171027138.db2.gz LTIPMVFBFQWIBB-OAHLLOKOSA-N 0 3 254.377 3.858 10 0 CHAEHN C[C@H](N[C@@H]1CCCc2occc21)c1ccc(O)cc1 ZINC000020204193 171069074 /nfs/dbraw/zinc/06/90/74/171069074.db2.gz UUMMYSRMBLEPPA-XHDPSFHLSA-N 0 3 257.333 3.713 10 0 CHAEHN CN(Cc1ccc(Cl)cc1)[C@@H](CN)c1cccs1 ZINC000020225324 171087305 /nfs/dbraw/zinc/08/73/05/171087305.db2.gz UFCANQQAKDGMOA-ZDUSSCGKSA-N 0 3 280.824 3.533 10 0 CHAEHN Cc1ccccc1[C@H](CN)N(C)Cc1ccccc1Cl ZINC000020225442 171088095 /nfs/dbraw/zinc/08/80/95/171088095.db2.gz INELDZNAPZGPDE-KRWDZBQOSA-N 0 3 288.822 3.780 10 0 CHAEHN CN(CC1CCCCC1)[C@H](CN)c1ccccc1Cl ZINC000020225935 171089677 /nfs/dbraw/zinc/08/96/77/171089677.db2.gz NMXLDBQBXIXWCS-MRXNPFEDSA-N 0 3 280.843 3.852 10 0 CHAEHN CN(Cc1ccccc1F)[C@H](CN)c1ccccc1Cl ZINC000020225905 171090262 /nfs/dbraw/zinc/09/02/62/171090262.db2.gz WYZDFMJTRDUWMX-MRXNPFEDSA-N 0 3 292.785 3.611 10 0 CHAEHN CC[C@H](Oc1cccc(F)c1)[C@@H](N)c1ccccc1 ZINC000020262678 171120739 /nfs/dbraw/zinc/12/07/39/171120739.db2.gz GTAPERSFEWYTTF-HOTGVXAUSA-N 0 3 259.324 3.683 10 0 CHAEHN N[C@@H](CC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000020429979 171194933 /nfs/dbraw/zinc/19/49/33/171194933.db2.gz LITKGGXGWMBMDE-AWEZNQCLSA-N 0 3 292.741 3.508 10 0 CHAEHN Cc1ccc([C@H](N)CO[C@@H]2CCC[C@@H](C)C2)c(C)c1 ZINC000020513148 171231702 /nfs/dbraw/zinc/23/17/02/171231702.db2.gz QGRAKSMEKOZJIX-SRCQZFHVSA-N 0 3 261.409 3.899 10 0 CHAEHN C[C@H]1CCC[C@@H](Oc2cccc(Cl)c2CN)C1 ZINC000020517782 171233329 /nfs/dbraw/zinc/23/33/29/171233329.db2.gz SKGFZOJXJDVOND-WDEREUQCSA-N 0 3 253.773 3.756 10 0 CHAEHN COc1ccc([C@H](N)c2ccccc2F)cc1Cl ZINC000020521857 171234942 /nfs/dbraw/zinc/23/49/42/171234942.db2.gz XVLGIDFMPYVQKF-AWEZNQCLSA-N 0 3 265.715 3.536 10 0 CHAEHN CCOc1ccc(O[C@@H](C)[C@H](N)c2ccc(C)cc2)cc1 ZINC000020546343 171243943 /nfs/dbraw/zinc/24/39/43/171243943.db2.gz XOSPYPCUESVAEM-KSSFIOAISA-N 0 3 285.387 3.861 10 0 CHAEHN COc1cccc(O[C@H](C(C)C)[C@@H](N)c2ccccc2)c1 ZINC000020548811 171246019 /nfs/dbraw/zinc/24/60/19/171246019.db2.gz AEXXLGOGRSCMQS-ZWKOTPCHSA-N 0 3 285.387 3.799 10 0 CHAEHN COc1ccc(Br)cc1[C@@H](N)CCC(C)C ZINC000020586585 171259351 /nfs/dbraw/zinc/25/93/51/171259351.db2.gz SKIUFGRGYBCAGV-LBPRGKRZSA-N 0 3 286.213 3.894 10 0 CHAEHN CCC[C@@H](C)[C@H](N)c1cc(Br)ccc1OC ZINC000020586581 171259585 /nfs/dbraw/zinc/25/95/85/171259585.db2.gz YVJKADJSVWZNAR-RNCFNFMXSA-N 0 3 286.213 3.894 10 0 CHAEHN Fc1ccc(F)c(N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000020595815 171264644 /nfs/dbraw/zinc/26/46/44/171264644.db2.gz GYPVGTMBDJIEDY-HNNXBMFYSA-N 0 3 288.341 3.651 10 0 CHAEHN CC[C@@H](CO)NCc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000020876575 171277609 /nfs/dbraw/zinc/27/76/09/171277609.db2.gz LPUSHFRCQSZHSV-ZDUSSCGKSA-N 0 3 293.794 3.769 10 0 CHAEHN CCOc1ccccc1[C@@H](N)CN(CC)c1ccccc1 ZINC000021052335 171295229 /nfs/dbraw/zinc/29/52/29/171295229.db2.gz BDMJIGGTWBDCPK-KRWDZBQOSA-N 0 3 284.403 3.612 10 0 CHAEHN CCc1ccc([C@H](N)COc2ccc(C)cc2)cc1 ZINC000021505421 171307442 /nfs/dbraw/zinc/30/74/42/171307442.db2.gz NHLAVPQHPNGFGO-QGZVFWFLSA-N 0 3 255.361 3.636 10 0 CHAEHN CCc1ccc([C@@H](N)COc2cc(C)cc(C)c2)cc1 ZINC000021511280 171310553 /nfs/dbraw/zinc/31/05/53/171310553.db2.gz DWUWHYVNGFJRIC-SFHVURJKSA-N 0 3 269.388 3.945 10 0 CHAEHN CCCc1ccc([C@@H](N)COc2ccccc2)cc1 ZINC000021516218 171312496 /nfs/dbraw/zinc/31/24/96/171312496.db2.gz DFSVKZNIESRLBB-KRWDZBQOSA-N 0 3 255.361 3.718 10 0 CHAEHN CC(C)c1ccc(O[C@H]2Cc3ccccc3[C@H]2N)cc1 ZINC000021792070 171324256 /nfs/dbraw/zinc/32/42/56/171324256.db2.gz FIUDKLHLSBFSBL-ZWKOTPCHSA-N 0 3 267.372 3.814 10 0 CHAEHN CCc1ccc([C@H](N)CO[C@H]2CCCC[C@@H]2C)cc1 ZINC000021814536 171331854 /nfs/dbraw/zinc/33/18/54/171331854.db2.gz ULABOQNCGYBRSH-XKQJLSEDSA-N 0 3 261.409 3.844 10 0 CHAEHN C=COCCCNCc1csc(-c2ccc(F)cc2)n1 ZINC000035163488 172024562 /nfs/dbraw/zinc/02/45/62/172024562.db2.gz MNENFSXDUIULBV-UHFFFAOYSA-N 0 3 292.379 3.589 10 0 CHAEHN FC(F)(F)[C@H]1CCCC[C@H]1NCc1cccs1 ZINC000035258152 172089464 /nfs/dbraw/zinc/08/94/64/172089464.db2.gz RGEDKZVYFYWEHM-WDEREUQCSA-N 0 3 263.328 3.959 10 0 CHAEHN C[C@@H](N)c1cc(F)ccc1O[C@@H]1CCCC[C@H]1C ZINC000035438999 172202769 /nfs/dbraw/zinc/20/27/69/172202769.db2.gz KQYBBXHAZWCAGJ-JTNHKYCSSA-N 0 3 251.345 3.803 10 0 CHAEHN CN[C@H](CC(C)C)c1cc(Br)ccc1OC ZINC000035456608 172206740 /nfs/dbraw/zinc/20/67/40/172206740.db2.gz VRLNULMWEKBUBO-GFCCVEGCSA-N 0 3 286.213 3.764 10 0 CHAEHN CN[C@H](c1sccc1C)c1ccc(OC)cc1C ZINC000035468325 172217902 /nfs/dbraw/zinc/21/79/02/172217902.db2.gz UKUHLKKKQZHZFT-AWEZNQCLSA-N 0 3 261.390 3.682 10 0 CHAEHN CN[C@@H](c1ccc(Cl)s1)[C@@H]1Cc2ccccc2O1 ZINC000035498164 172231430 /nfs/dbraw/zinc/23/14/30/172231430.db2.gz JZRFZIIRUAPRAF-SMDDNHRTSA-N 0 3 279.792 3.666 10 0 CHAEHN CN[C@H](c1ccc(Cl)s1)c1cc(OC)cc(OC)c1 ZINC000035498364 172232118 /nfs/dbraw/zinc/23/21/18/172232118.db2.gz VOGQUGPCNHLFHW-AWEZNQCLSA-N 0 3 297.807 3.728 10 0 CHAEHN CN[C@H](c1cccs1)c1ccc(OC(C)C)cc1 ZINC000035498603 172232301 /nfs/dbraw/zinc/23/23/01/172232301.db2.gz FBVFQONMQFEGOW-HNNXBMFYSA-N 0 3 261.390 3.844 10 0 CHAEHN CN[C@H](c1sccc1C)c1cc(F)ccc1OC ZINC000035498971 172232327 /nfs/dbraw/zinc/23/23/27/172232327.db2.gz BISHPYLUSKUZSX-ZDUSSCGKSA-N 0 3 265.353 3.513 10 0 CHAEHN CN[C@@H](c1cc(OC)c(OC)cc1Cl)C1CCCC1 ZINC000035501286 172236040 /nfs/dbraw/zinc/23/60/40/172236040.db2.gz IKCXHDIBYZSREB-OAHLLOKOSA-N 0 3 283.799 3.808 10 0 CHAEHN CCN[C@H](CC(F)(F)F)c1ccc(CC)s1 ZINC000035537948 172244059 /nfs/dbraw/zinc/24/40/59/172244059.db2.gz VLVLOWOJAMNFQK-SECBINFHSA-N 0 3 251.317 3.914 10 0 CHAEHN CCN[C@@H](c1sccc1C)c1ccc(OC)cc1 ZINC000035540711 172246729 /nfs/dbraw/zinc/24/67/29/172246729.db2.gz PVIIGBNZTPXUPK-CQSZACIVSA-N 0 3 261.390 3.764 10 0 CHAEHN CCN[C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000035559026 172264009 /nfs/dbraw/zinc/26/40/09/172264009.db2.gz BSSXPLXSOLUTCV-OLZOCXBDSA-N 0 3 274.191 3.823 10 0 CHAEHN CCCN[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000035575238 172272246 /nfs/dbraw/zinc/27/22/46/172272246.db2.gz PXMRCZLFSAXHFL-OAHLLOKOSA-N 0 3 260.768 3.824 10 0 CHAEHN CCCN[C@H](c1cccs1)c1ccccc1OC ZINC000035581275 172277320 /nfs/dbraw/zinc/27/73/20/172277320.db2.gz ODSYXCCHZCCTKA-HNNXBMFYSA-N 0 3 261.390 3.846 10 0 CHAEHN CN[C@H]1COc2c1cc(-c1ccccc1)cc2Cl ZINC000035655071 172331591 /nfs/dbraw/zinc/33/15/91/172331591.db2.gz MRSCWUVWOVQYCX-AWEZNQCLSA-N 0 3 259.736 3.660 10 0 CHAEHN CN(Cc1cccs1)[C@H](CN)c1ccccc1Cl ZINC000035717269 172371675 /nfs/dbraw/zinc/37/16/75/172371675.db2.gz FKLBCNMEJXYIAZ-CQSZACIVSA-N 0 3 280.824 3.533 10 0 CHAEHN CC(C)c1ccc(Sc2ccc(CN)cn2)cc1 ZINC000035720089 172374751 /nfs/dbraw/zinc/37/47/51/172374751.db2.gz HBFKZYXPCIYGRO-UHFFFAOYSA-N 0 3 258.390 3.815 10 0 CHAEHN NCc1ccc(Sc2ccc3ccccc3c2)nc1 ZINC000035720273 172375220 /nfs/dbraw/zinc/37/52/20/172375220.db2.gz VSXUUDNCPDCNOP-UHFFFAOYSA-N 0 3 266.369 3.845 10 0 CHAEHN CCN[C@H]1c2cc(Cl)cc(Cl)c2OC[C@@H]1C ZINC000035754489 172396450 /nfs/dbraw/zinc/39/64/50/172396450.db2.gz SFLUBERQXYUBKM-WRWORJQWSA-N 0 3 260.164 3.673 10 0 CHAEHN CSCC[C@@H](N)c1nc2ccccc2n1C(C)(C)C ZINC000037323680 173123972 /nfs/dbraw/zinc/12/39/72/173123972.db2.gz SOFBXSVIXVYXRI-LLVKDONJSA-N 0 3 277.437 3.544 10 0 CHAEHN CCN(Cc1ccccc1)[C@@H](CN)c1ccc(Cl)s1 ZINC000037328342 173129616 /nfs/dbraw/zinc/12/96/16/173129616.db2.gz NZIBIYPLYPFUSC-ZDUSSCGKSA-N 0 3 294.851 3.923 10 0 CHAEHN CCCn1c2ccc(F)cc2nc1[C@H](N)CC(C)C ZINC000037439534 173209463 /nfs/dbraw/zinc/20/94/63/173209463.db2.gz TXHVIFOPLQGLJO-GFCCVEGCSA-N 0 3 263.360 3.631 10 0 CHAEHN CCC[C@@H](N)c1nc2cc(Cl)ccc2n1CCC ZINC000037440539 173210187 /nfs/dbraw/zinc/21/01/87/173210187.db2.gz QJBZKNNVAHMGPV-LLVKDONJSA-N 0 3 265.788 3.900 10 0 CHAEHN CCN[C@@H](c1cccc(F)c1)c1ccccc1OC ZINC000037533012 173253807 /nfs/dbraw/zinc/25/38/07/173253807.db2.gz JQHVZFCWGYSAHU-INIZCTEOSA-N 0 3 259.324 3.533 10 0 CHAEHN CN[C@@H](CCC(C)C)c1c(F)cc(OC)cc1F ZINC000037903516 173835421 /nfs/dbraw/zinc/83/54/21/173835421.db2.gz VTCSYHZLAFJRHL-ZDUSSCGKSA-N 0 3 257.324 3.670 10 0 CHAEHN CC[C@H](C)CNCc1cc(F)ccc1Br ZINC000038039048 174039823 /nfs/dbraw/zinc/03/98/23/174039823.db2.gz FUUQPLYFEIXLDP-VIFPVBQESA-N 0 3 274.177 3.724 10 0 CHAEHN N[C@H](c1ccc(Cl)cc1)c1ccc2c(c1)CCCO2 ZINC000038057775 174068400 /nfs/dbraw/zinc/06/84/00/174068400.db2.gz GPWQDZCDUWMXLX-MRXNPFEDSA-N 0 3 273.763 3.713 10 0 CHAEHN CNCc1cc(-c2cc(C)ccc2F)ccc1OC ZINC000038070336 174081572 /nfs/dbraw/zinc/08/15/72/174081572.db2.gz BXNPFNSRYDNGNV-UHFFFAOYSA-N 0 3 259.324 3.529 10 0 CHAEHN CCN[C@H]1COc2c1cc1ccccc1c2Br ZINC000038077580 174087981 /nfs/dbraw/zinc/08/79/81/174087981.db2.gz RCYHPLFUXDQUDG-LBPRGKRZSA-N 0 3 292.176 3.645 10 0 CHAEHN CN[C@@H](Cc1c(F)cccc1Cl)c1ccc(C)o1 ZINC000038131678 174132674 /nfs/dbraw/zinc/13/26/74/174132674.db2.gz XIICIQOMXOCVPB-ZDUSSCGKSA-N 0 3 267.731 3.884 10 0 CHAEHN CN[C@H](Cc1ccccc1F)c1cc(F)cc(F)c1 ZINC000038135604 174133012 /nfs/dbraw/zinc/13/30/12/174133012.db2.gz SUNGSPUICORGIU-OAHLLOKOSA-N 0 3 265.278 3.607 10 0 CHAEHN CC(C)[C@H](N)c1nc2ccccc2n1Cc1ccccc1 ZINC000040163887 174196952 /nfs/dbraw/zinc/19/69/52/174196952.db2.gz XTPICPNVOPNADJ-KRWDZBQOSA-N 0 3 279.387 3.740 10 0 CHAEHN COc1cc(Cl)cc(CNC(C)C)c1OC(C)C ZINC000040728386 174387856 /nfs/dbraw/zinc/38/78/56/174387856.db2.gz XOHUVMOHJPQXQX-UHFFFAOYSA-N 0 3 271.788 3.634 10 0 CHAEHN CCCCOc1ccc2c(c1)OC(C)(C)C[C@@H]2NC ZINC000043460266 175051260 /nfs/dbraw/zinc/05/12/60/175051260.db2.gz WRXWJYPLIBSUBH-AWEZNQCLSA-N 0 3 263.381 3.687 10 0 CHAEHN C[C@@H](Cn1c2ccccc2[nH]c1=S)N1CCCCC1 ZINC000045005392 175288214 /nfs/dbraw/zinc/28/82/14/175288214.db2.gz NRRCYYOYIXHIBI-LBPRGKRZSA-N 0 3 275.421 3.573 10 0 CHAEHN COc1cc2c(cc1Cl)CCN[C@@H]2Cc1ccccc1 ZINC000045283377 175353294 /nfs/dbraw/zinc/35/32/94/175353294.db2.gz JWQPRNMHWLPRTR-MRXNPFEDSA-N 0 3 287.790 3.778 10 0 CHAEHN CN[C@H](C)c1csc(-c2ccc(Cl)cc2)n1 ZINC000070840793 176008574 /nfs/dbraw/zinc/00/85/74/176008574.db2.gz PSVHIUIWKDOPNA-MRVPVSSYSA-N 0 3 252.770 3.744 10 0 CHAEHN C[C@H]1CCC[C@H]1NC1=NC[C@H](c2ccccc2)S1 ZINC000071208732 176081234 /nfs/dbraw/zinc/08/12/34/176081234.db2.gz LNFXMHZRGLMFJT-IACUBPJLSA-N 0 3 260.406 3.609 10 0 CHAEHN CCN[C@@H](C)c1csc(-c2cccc(OCC)c2)n1 ZINC000076784593 177091528 /nfs/dbraw/zinc/09/15/28/177091528.db2.gz VRMHDOIOCFDEHW-NSHDSACASA-N 0 3 276.405 3.879 10 0 CHAEHN C[C@H]1C[C@H]1NCc1cc(Br)c(Cl)s1 ZINC000191694594 227131159 /nfs/dbraw/zinc/13/11/59/227131159.db2.gz VIDUDMRWXHNQOD-YLWLKBPMSA-N 0 3 280.618 3.662 10 0 CHAEHN CN1C(=O)C[C@H](NC2CCC(C)(C)CC2)c2ccccc21 ZINC000079677137 260177184 /nfs/dbraw/zinc/17/71/84/260177184.db2.gz QYPUTIVBZRKTJZ-HNNXBMFYSA-N 0 3 286.419 3.653 10 0 CHAEHN C[C@@H](C(=O)Nc1ccccc1Cl)[C@H](N)c1ccccc1 ZINC000130066543 260393104 /nfs/dbraw/zinc/39/31/04/260393104.db2.gz KUAIJHQNGSLNCW-ABAIWWIYSA-N 0 3 288.778 3.615 10 0 CHAEHN Cc1ccccc1[C@H](NCCn1cccn1)c1ccccc1 ZINC000175172718 261210641 /nfs/dbraw/zinc/21/06/41/261210641.db2.gz AUYHHRCJQJMAJK-LJQANCHMSA-N 0 3 291.398 3.571 10 0 CHAEHN C[C@H](N[C@@H]1CCCC[C@@H]1CO)c1ccccc1Cl ZINC000177359048 261350339 /nfs/dbraw/zinc/35/03/39/261350339.db2.gz LYKYDQQBPHHLSU-YWPYICTPSA-N 0 3 267.800 3.542 10 0 CHAEHN COc1ccccc1[C@H](C)N[C@@H](CN(C)C)c1ccccc1 ZINC000120420996 262194827 /nfs/dbraw/zinc/19/48/27/262194827.db2.gz ONIOWKCRVIAHAW-YJBOKZPZSA-N 0 3 298.430 3.649 10 0 CHAEHN CCc1ccc(CN[C@H](C)COCc2ccccc2)cc1 ZINC000390573479 262221837 /nfs/dbraw/zinc/22/18/37/262221837.db2.gz DAZUXYHXICDRQA-MRXNPFEDSA-N 0 3 283.415 3.944 10 0 CHAEHN CCc1ccc(CN[C@@H](C)COCc2ccccc2)cc1 ZINC000390573477 262222187 /nfs/dbraw/zinc/22/21/87/262222187.db2.gz DAZUXYHXICDRQA-INIZCTEOSA-N 0 3 283.415 3.944 10 0 CHAEHN Cc1ccc(C)c(CN[C@@H](C)COCc2ccccc2)c1 ZINC000390591967 262225306 /nfs/dbraw/zinc/22/53/06/262225306.db2.gz QLCUVJYJFQNTEH-KRWDZBQOSA-N 0 3 283.415 3.998 10 0 CHAEHN FC(F)(F)[C@@H]1CCCC[C@@H]1NCc1ccncc1Cl ZINC000521432115 262333475 /nfs/dbraw/zinc/33/34/75/262333475.db2.gz MWLVAUIVGHKEFE-PWSUYJOCSA-N 0 3 292.732 3.946 10 0 CHAEHN CC[C@@H](CO)N[C@H](c1ccccc1)c1ccc(C)cc1C ZINC000021012519 262373566 /nfs/dbraw/zinc/37/35/66/262373566.db2.gz KDGSXWGPZAVWPS-PKOBYXMFSA-N 0 3 283.415 3.753 10 0 CHAEHN Cc1ccccc1OCCCN1CCCC[C@H]1c1cn[nH]c1 ZINC000114482380 266296963 /nfs/dbraw/zinc/29/69/63/266296963.db2.gz LPLSYYDGGWNOKN-KRWDZBQOSA-N 0 3 299.418 3.714 10 0 CHAEHN Cc1cn[nH]c1CN[C@H](C)c1ccc(C(C)C)cc1 ZINC000289997593 328257318 /nfs/dbraw/zinc/25/73/18/328257318.db2.gz STUZMZFDZSQZRQ-CYBMUJFWSA-N 0 3 257.381 3.692 10 0 CHAEHN Cc1ccc(CN[C@H](CN(C)C)c2ccccc2)cc1F ZINC000110974737 328322889 /nfs/dbraw/zinc/32/28/89/328322889.db2.gz QAVBFDIUXOELKE-GOSISDBHSA-N 0 3 286.394 3.527 10 0 CHAEHN Cc1cnn([C@H]2CCCN(C/C=C\c3ccc(F)cc3)C2)c1 ZINC000255839006 327019778 /nfs/dbraw/zinc/01/97/78/327019778.db2.gz ISDCCBNVROYUMQ-VEXQSBSHSA-N 0 3 299.393 3.681 10 0 CHAEHN CCC(C)(C)NC(=O)CN[C@@H](C)c1ccc2ccccc2c1 ZINC000102686947 328714165 /nfs/dbraw/zinc/71/41/65/328714165.db2.gz XDXMOKWNXQVXON-AWEZNQCLSA-N 0 3 298.430 3.795 10 0 CHAEHN CC(C)Oc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000171037564 329074200 /nfs/dbraw/zinc/07/42/00/329074200.db2.gz YHSCQKOPDLLOGA-UHFFFAOYSA-N 0 3 299.418 3.577 10 0 CHAEHN C[C@H](c1ccc(F)cc1)N1CC[C@H](CNc2ccccn2)C1 ZINC000171640851 329075217 /nfs/dbraw/zinc/07/52/17/329075217.db2.gz QJMLLXXZYNPHJG-HUUCEWRRSA-N 0 3 299.393 3.716 10 0 CHAEHN CCc1csc([C@@H]2CCCN(CCCOC(C)C)C2)n1 ZINC000171500972 329076805 /nfs/dbraw/zinc/07/68/05/329076805.db2.gz HRSIPDQRWNEDOC-CQSZACIVSA-N 0 3 296.480 3.700 10 0 CHAEHN CC(C)c1ccc([C@H](C)N2CCC(n3cncn3)CC2)cc1 ZINC000181650603 329235519 /nfs/dbraw/zinc/23/55/19/329235519.db2.gz DVJXDMUOKHWUTO-HNNXBMFYSA-N 0 3 298.434 3.800 10 0 CHAEHN Cc1csc([C@@H]2CCCN(C[C@@H]3CCC(C)(C)O3)C2)n1 ZINC000184671226 329261845 /nfs/dbraw/zinc/26/18/45/329261845.db2.gz GFJLXYAGIIIYQS-KGLIPLIRSA-N 0 3 294.464 3.589 10 0 CHAEHN Cc1ccc(CN[C@@H](C)c2ccccc2C)c(C)n1 ZINC000187401976 329357371 /nfs/dbraw/zinc/35/73/71/329357371.db2.gz VXVIPWJZNMNDDG-HNNXBMFYSA-N 0 3 254.377 3.858 10 0 CHAEHN Cc1ccc(CN[C@@H](C)c2ccc(C)c(F)c2)c(C)n1 ZINC000187439926 329357616 /nfs/dbraw/zinc/35/76/16/329357616.db2.gz FUYMFVQTKJFTTH-ZDUSSCGKSA-N 0 3 272.367 3.997 10 0 CHAEHN Cc1ccccc1CN[C@H]1CCOc2c(C)cccc21 ZINC000188952622 329376181 /nfs/dbraw/zinc/37/61/81/329376181.db2.gz RIXKLDMUGLZUEC-KRWDZBQOSA-N 0 3 267.372 3.917 10 0 CHAEHN C[C@H](NC[C@@H]1CCCCN1Cc1ccccc1)c1ccco1 ZINC000379615237 330141912 /nfs/dbraw/zinc/14/19/12/330141912.db2.gz AKTAEYQPGUCCGF-WMZOPIPTSA-N 0 3 298.430 3.985 10 0 CHAEHN Cc1csc(CN[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000079055092 330330326 /nfs/dbraw/zinc/33/03/26/330330326.db2.gz GKOGCADOGRHVRI-UWVGGRQHSA-N 0 3 278.343 3.662 10 0 CHAEHN C[C@H](NCc1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000087758690 330374349 /nfs/dbraw/zinc/37/43/49/330374349.db2.gz JVOUQBAWEWVCCO-ZANVPECISA-N 0 3 274.191 3.651 10 0 CHAEHN CC(C)c1nc([C@H](C)N[C@H]2CN(C(C)C)C[C@@H]2C)cs1 ZINC000090048454 330389998 /nfs/dbraw/zinc/38/99/98/330389998.db2.gz MEANWLOJAUKXRJ-IHRRRGAJSA-N 0 3 295.496 3.646 10 0 CHAEHN CC[C@@H](NC[C@@H]1Cc2ccccc21)c1nccs1 ZINC000090976810 330397323 /nfs/dbraw/zinc/39/73/23/330397323.db2.gz CCOLJFQGVYCNLJ-GXTWGEPZSA-N 0 3 258.390 3.524 10 0 CHAEHN CC[C@H](N[C@H]1CCCc2cc(F)ccc21)c1cnn(C)c1 ZINC000090964352 330397345 /nfs/dbraw/zinc/39/73/45/330397345.db2.gz FFMCLYBBXXSCLA-IRXDYDNUSA-N 0 3 287.382 3.678 10 0 CHAEHN CC[C@@H](NC[C@H]1Cc2ccccc21)c1nccs1 ZINC000090976812 330397348 /nfs/dbraw/zinc/39/73/48/330397348.db2.gz CCOLJFQGVYCNLJ-TZMCWYRMSA-N 0 3 258.390 3.524 10 0 CHAEHN Cc1csc(C2CCN(Cc3ccsc3)CC2)n1 ZINC000092787522 330413517 /nfs/dbraw/zinc/41/35/17/330413517.db2.gz VNUYPEDVBQTSNL-UHFFFAOYSA-N 0 3 278.446 3.893 10 0 CHAEHN C[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000162529789 330925840 /nfs/dbraw/zinc/92/58/40/330925840.db2.gz MEGCZQGFMOZRAI-NOZJJQNGSA-N 0 3 291.288 3.502 10 0 CHAEHN Cc1ccc2c(c1)[C@@H](N[C@@H](CN(C)C)c1ccccc1)CC2 ZINC000163848196 331134573 /nfs/dbraw/zinc/13/45/73/331134573.db2.gz XNHDAEWMODBXKS-PMACEKPBSA-N 0 3 294.442 3.875 10 0 CHAEHN O=C(CNC1(C2CCC2)CCC1)Nc1ccc(Cl)cc1 ZINC000459758725 331298869 /nfs/dbraw/zinc/29/88/69/331298869.db2.gz HXQPGHWLQLQWNZ-UHFFFAOYSA-N 0 3 292.810 3.591 10 0 CHAEHN CCC[C@@H](O)CN[C@H](c1ccccc1)c1ccccc1C ZINC000166060846 331306493 /nfs/dbraw/zinc/30/64/93/331306493.db2.gz URXSVHNEJZYCSQ-IEBWSBKVSA-N 0 3 283.415 3.835 10 0 CHAEHN C[C@H]1CC(CNCc2ccc(F)cc2Cl)C[C@H](C)O1 ZINC000466411152 331395759 /nfs/dbraw/zinc/39/57/59/331395759.db2.gz XMYCSFZDVKLULG-QWRGUYRKSA-N 0 3 285.790 3.772 10 0 CHAEHN COc1cccc([C@H](C)N[C@@H](C)COCc2ccccc2)c1 ZINC000177385522 333058234 /nfs/dbraw/zinc/05/82/34/333058234.db2.gz LUPITMAPMSLBKH-HOTGVXAUSA-N 0 3 299.414 3.951 10 0 CHAEHN C[C@H](c1ccc(F)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178699550 333077052 /nfs/dbraw/zinc/07/70/52/333077052.db2.gz BSKHSUUHUOTDKH-FRFSOERESA-N 0 3 277.383 3.514 10 0 CHAEHN CC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc2ccccc2c1 ZINC000192581910 333236686 /nfs/dbraw/zinc/23/66/86/333236686.db2.gz NXMOBWVBWYGFSW-SOUVJXGZSA-N 0 3 298.430 3.794 10 0 CHAEHN Cc1ccc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000236000526 333372917 /nfs/dbraw/zinc/37/29/17/333372917.db2.gz KAHOWODVHWFFNT-WBVHZDCISA-N 0 3 293.838 3.775 10 0 CHAEHN C[C@H]1OCC[C@H]1NCc1ccc(F)c(-c2cccs2)c1 ZINC000134241796 334085213 /nfs/dbraw/zinc/08/52/13/334085213.db2.gz GRIXOTAWTXMDAZ-IAQYHMDHSA-N 0 3 291.391 3.821 10 0 CHAEHN CCCCN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246597250 334265062 /nfs/dbraw/zinc/26/50/62/334265062.db2.gz GZIBBUCRSFOCII-KGLIPLIRSA-N 0 3 287.325 3.613 10 0 CHAEHN Cc1ccc(OC(F)F)c([C@H](C)N[C@H](C)[C@H]2CCCO2)c1 ZINC000246866987 334270887 /nfs/dbraw/zinc/27/08/87/334270887.db2.gz DESFNHZHPOCXIO-OUCADQQQSA-N 0 3 299.361 3.815 10 0 CHAEHN Cc1c([C@H](C)N[C@H]2C[C@H]2C)cnn1-c1cccc(Cl)c1 ZINC000246892770 334271385 /nfs/dbraw/zinc/27/13/85/334271385.db2.gz DUUKSUPWKPTKJD-GDLVEWKHSA-N 0 3 289.810 3.893 10 0 CHAEHN C[C@@H]1C[C@@H](N[C@H](CCO)c2ccco2)CC(C)(C)C1 ZINC000249027665 334325115 /nfs/dbraw/zinc/32/51/15/334325115.db2.gz RYLQSWXBWPNYTE-MGPQQGTHSA-N 0 3 265.397 3.508 10 0 CHAEHN CC[C@@H](NCC1CC(O)C1)c1ccc(Cl)cc1Cl ZINC000091415821 334378113 /nfs/dbraw/zinc/37/81/13/334378113.db2.gz CZKXRCMKVUZHNY-PFMWSLTASA-N 0 3 288.218 3.805 10 0 CHAEHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000252389384 334378894 /nfs/dbraw/zinc/37/88/94/334378894.db2.gz INBQNFHAAWRPIF-WOSRLPQWSA-N 0 3 290.451 3.535 10 0 CHAEHN CCCN[C@H](C)c1ccc(F)cc1OCC(C)C ZINC000062747423 520063936 /nfs/dbraw/zinc/06/39/36/520063936.db2.gz CCFHJKAUUPPLDP-GFCCVEGCSA-N 0 3 253.361 3.921 10 0 CHAEHN CN[C@@H](CC(C)(C)C)c1cc(OC)c(OC)cc1F ZINC000061561282 522344158 /nfs/dbraw/zinc/34/41/58/522344158.db2.gz ALTYUVDCIDFIDR-LBPRGKRZSA-N 0 3 269.360 3.540 10 0 CHAEHN CN[C@H](c1ccc(C)c(F)c1)c1cc(F)ccc1C ZINC000055224183 522480252 /nfs/dbraw/zinc/48/02/52/522480252.db2.gz AUCBQNDZVODNST-MRXNPFEDSA-N 0 3 261.315 3.890 10 0 CHAEHN CCCNCc1cc(C)nc(C2CCC(C)CC2)n1 ZINC000054831524 519945094 /nfs/dbraw/zinc/94/50/94/519945094.db2.gz ALSVLCLVANEPIC-UHFFFAOYSA-N 0 3 261.413 3.578 10 0 CHAEHN CCCN[C@@H](C)c1nc2c(cccc2F)n1C1CC1 ZINC000062366399 519991045 /nfs/dbraw/zinc/99/10/45/519991045.db2.gz SJPMJYCPBVIQEL-JTQLQIEISA-N 0 3 261.344 3.571 10 0 CHAEHN CCNCc1cnc(N(C)c2cc(C)cc(C)c2)s1 ZINC000054908189 520015350 /nfs/dbraw/zinc/01/53/50/520015350.db2.gz WARDSMJUCXBCGZ-UHFFFAOYSA-N 0 3 275.421 3.637 10 0 CHAEHN CCCN[C@@H](c1cc(F)ccc1F)[C@@H]1CCCCO1 ZINC000050962487 520016294 /nfs/dbraw/zinc/01/62/94/520016294.db2.gz LTRFYHUYCARXDZ-GJZGRUSLSA-N 0 3 269.335 3.575 10 0 CHAEHN CCN[C@@H](c1ccc(Cl)s1)[C@H]1CCCCO1 ZINC000050962176 520110457 /nfs/dbraw/zinc/11/04/57/520110457.db2.gz CGODTPNEVOSDBJ-BXKDBHETSA-N 0 3 259.802 3.621 10 0 CHAEHN CCN[C@@H](c1cccc(Cl)c1)c1cncc(F)c1 ZINC000049576265 520111470 /nfs/dbraw/zinc/11/14/70/520111470.db2.gz NHYJIWDIMFOOMQ-AWEZNQCLSA-N 0 3 264.731 3.573 10 0 CHAEHN CCN[C@H](Cc1ccccc1Br)c1ccco1 ZINC000054456152 520202711 /nfs/dbraw/zinc/20/27/11/520202711.db2.gz JHRKSHKDWUYCJJ-CYBMUJFWSA-N 0 3 294.192 3.935 10 0 CHAEHN CCNc1nc2ccccc2cc1CN(C)C(C)C ZINC000050792612 520359849 /nfs/dbraw/zinc/35/98/49/520359849.db2.gz PNDIAJJVDRMZFR-UHFFFAOYSA-N 0 3 257.381 3.507 10 0 CHAEHN CCCc1nc(N2CCC(CCC)CC2)sc1CN ZINC000054998235 521530470 /nfs/dbraw/zinc/53/04/70/521530470.db2.gz DAXNEKMBCUVZRW-UHFFFAOYSA-N 0 3 281.469 3.571 10 0 CHAEHN CC[C@H](C)Oc1c(CNC(C)(C)C)cccc1OC ZINC000062732206 521758466 /nfs/dbraw/zinc/75/84/66/521758466.db2.gz DWMOEGAKZIUOPW-LBPRGKRZSA-N 0 3 265.397 3.761 10 0 CHAEHN CN[C@@H](c1cc(C)sc1C)c1ccc(OC)c(F)c1 ZINC000061668898 522365291 /nfs/dbraw/zinc/36/52/91/522365291.db2.gz BTLMSXPJIDQMJM-OAHLLOKOSA-N 0 3 279.380 3.821 10 0 CHAEHN CN(c1nc(C(C)(C)C)c(CN)s1)C1CCCCC1 ZINC000054994849 523660625 /nfs/dbraw/zinc/66/06/25/523660625.db2.gz RSKJNAZWBOOYCT-UHFFFAOYSA-N 0 3 281.469 3.668 10 0 CHAEHN CCc1ccc(N(C)c2nc(C)c([C@H](C)N)s2)cc1 ZINC000054897559 523959280 /nfs/dbraw/zinc/95/92/80/523959280.db2.gz MYJLIZKIICAJPB-JTQLQIEISA-N 0 3 275.421 3.802 10 0 CHAEHN C[C@@H]1CCCC[C@@H]1N(C)c1ccc(Cl)cc1CN ZINC000052857499 524131494 /nfs/dbraw/zinc/13/14/94/524131494.db2.gz PKVAGWVPKQPNHI-RISCZKNCSA-N 0 3 266.816 3.814 10 0 CHAEHN Cc1ccc(F)c([C@@]2(N)CCCc3ccccc32)c1 ZINC000055194051 524836388 /nfs/dbraw/zinc/83/63/88/524836388.db2.gz XEYPYULBRSPDIY-QGZVFWFLSA-N 0 3 255.336 3.673 10 0 CHAEHN C[C@](N)(c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000055237018 525150658 /nfs/dbraw/zinc/15/06/58/525150658.db2.gz NGTNWMNFWHUTJL-AWEZNQCLSA-N 0 3 267.706 3.840 10 0 CHAEHN C[C@H](N[C@@H]1C[C@@H]1C)c1ccc(Br)s1 ZINC000052275051 525589308 /nfs/dbraw/zinc/58/93/08/525589308.db2.gz SFAIBOSCCGIIEC-BIIVOSGPSA-N 0 3 260.200 3.570 10 0 CHAEHN C[C@@H](c1nc(-c2ccccc2)no1)[C@@H](N)c1ccccc1 ZINC000157947430 526163471 /nfs/dbraw/zinc/16/34/71/526163471.db2.gz HUHHYQLXKLBWNN-IUODEOHRSA-N 0 3 279.343 3.540 10 0 CHAEHN Cc1csc([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000156975107 526421676 /nfs/dbraw/zinc/42/16/76/526421676.db2.gz JKTCMMDDQBFUBI-CQSZACIVSA-N 0 3 290.407 3.970 10 0 CHAEHN Cc1csc([C@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000156975260 526441980 /nfs/dbraw/zinc/44/19/80/526441980.db2.gz JKTCMMDDQBFUBI-AWEZNQCLSA-N 0 3 290.407 3.970 10 0 CHAEHN Clc1cn(CCNCc2ccoc2)c2ccccc12 ZINC000055310955 526996281 /nfs/dbraw/zinc/99/62/81/526996281.db2.gz PTNNSZGRHMVIGP-UHFFFAOYSA-N 0 3 274.751 3.678 10 0 CHAEHN NCc1cc(Cl)ccc1N(Cc1ccco1)C1CC1 ZINC000052857548 527248648 /nfs/dbraw/zinc/24/86/48/527248648.db2.gz FQFSWLIUAQCQNM-UHFFFAOYSA-N 0 3 276.767 3.561 10 0 CHAEHN N[C@@H](c1cccs1)c1cccc(OC(F)(F)F)c1 ZINC000061703482 527338525 /nfs/dbraw/zinc/33/85/25/527338525.db2.gz HEZAOTGKIZQERB-LLVKDONJSA-N 0 3 273.279 3.695 10 0 CHAEHN FC(F)(F)CO[C@H](CNC1CC1)c1ccccc1Cl ZINC000050502184 527671983 /nfs/dbraw/zinc/67/19/83/527671983.db2.gz RUBQIUGQJRHKET-GFCCVEGCSA-N 0 3 293.716 3.712 10 0 CHAEHN CCOc1ccc(Cl)cc1CNCCC(C)C ZINC000013718015 567867434 /nfs/dbraw/zinc/86/74/34/567867434.db2.gz AJSZDIMXZZEARR-UHFFFAOYSA-N 0 3 255.789 3.874 10 0 CHAEHN CCOc1c(Cl)cc(Cl)cc1CNCCCOC ZINC000013722503 567867538 /nfs/dbraw/zinc/86/75/38/567867538.db2.gz YWVFQBZEATYSDY-UHFFFAOYSA-N 0 3 292.206 3.518 10 0 CHAEHN C=C(OCC)c1ccc(CNC2CC2)cc1Cl ZINC000725267716 567924039 /nfs/dbraw/zinc/92/40/39/567924039.db2.gz ZQXQAUJTNIRHMD-UHFFFAOYSA-N 0 3 251.757 3.599 10 0 CHAEHN Nc1cnc2ccc(Oc3ccccc3Cl)cc2c1N ZINC000584882290 570229413 /nfs/dbraw/zinc/22/94/13/570229413.db2.gz ZOZKRNJPKWJRGT-UHFFFAOYSA-N 0 3 285.734 3.675 10 0 CHAEHN c1csc(C2=CCN(C[C@@H]3CCC=CO3)CC2)c1 ZINC000193983696 1125550802 /nfs/dbraw/zinc/55/08/02/1125550802.db2.gz TYWMYTNPWFWSGH-AWEZNQCLSA-N 0 3 261.390 3.530 10 0 CHAEHN CC[C@@H](N[C@@H]1CCCc2n[nH]cc21)c1cccs1 ZINC000368606807 1118058034 /nfs/dbraw/zinc/05/80/34/1118058034.db2.gz FZIWBHUZSMQUDU-VXGBXAGGSA-N 0 3 261.394 3.590 10 0 CHAEHN Cc1cccc(-c2noc(CN3CCC[C@@H]3C3CCC3)n2)c1 ZINC000102927658 1123595881 /nfs/dbraw/zinc/59/58/81/1123595881.db2.gz JFRRMDDMHROADO-MRXNPFEDSA-N 0 3 297.402 3.810 10 0 CHAEHN COCc1nc(-c2cccc(C)c2)sc1CNC1CC1 ZINC000082445359 178021689 /nfs/dbraw/zinc/02/16/89/178021689.db2.gz OPBZRGZQGAZAMB-UHFFFAOYSA-N 0 3 288.416 3.517 10 0 CHAEHN CCCc1nc(-c2ccc(Cl)cc2)sc1CN ZINC000082427092 178002651 /nfs/dbraw/zinc/00/26/51/178002651.db2.gz XIUDDMLTTAVXFG-UHFFFAOYSA-N 0 3 266.797 3.875 10 0 CHAEHN NCc1sc(Cc2ccc(Cl)cc2)nc1C1CC1 ZINC000082441438 178021224 /nfs/dbraw/zinc/02/12/24/178021224.db2.gz NUXYKMRGAVEZIO-UHFFFAOYSA-N 0 3 278.808 3.723 10 0 CHAEHN CN[C@H]1CC(C)(C)Oc2cc(C)c(Cl)c(C)c21 ZINC000082505636 178070079 /nfs/dbraw/zinc/07/00/79/178070079.db2.gz FKMHLQVKEBZEHR-JTQLQIEISA-N 0 3 253.773 3.778 10 0 CHAEHN C[C@@H](CSC(F)(F)F)NCc1ccc(F)cc1 ZINC000095918327 185030422 /nfs/dbraw/zinc/03/04/22/185030422.db2.gz GVUDVYWFHBBPNX-QMMMGPOBSA-N 0 3 267.291 3.557 10 0 CHAEHN CCSc1cc(OC)c2c(c1OC)[C@@H](C)NCC2(C)C ZINC000096889024 185123575 /nfs/dbraw/zinc/12/35/75/185123575.db2.gz UUYPFEOKTXCRLV-SNVBAGLBSA-N 0 3 295.448 3.758 10 0 CHAEHN COc1cc(CC(C)C)c(OC)c2c1CCN[C@H]2C(C)C ZINC000096889063 185123685 /nfs/dbraw/zinc/12/36/85/185123685.db2.gz MDUIRILXRLCZRX-KRWDZBQOSA-N 0 3 291.435 3.745 10 0 CHAEHN CCc1c(C)nc2ccccc2c1N1CCC([C@H](C)O)CC1 ZINC000302034545 529491513 /nfs/dbraw/zinc/49/15/13/529491513.db2.gz LIONMRVDCGKYBV-AWEZNQCLSA-N 0 3 298.430 3.703 10 0 CHAEHN CCCNCc1c(Cl)cccc1Sc1nnc(C)o1 ZINC000104294650 185957834 /nfs/dbraw/zinc/95/78/34/185957834.db2.gz KLUGFLGXIXBFOE-UHFFFAOYSA-N 0 3 297.811 3.682 10 0 CHAEHN CCC(CC)[C@@H](C)Nc1cc2ccccc2c(=O)[nH]1 ZINC000104440862 186003240 /nfs/dbraw/zinc/00/32/40/186003240.db2.gz ZAAUIDZXHWNDPH-LLVKDONJSA-N 0 3 258.365 3.765 10 0 CHAEHN CCC(CC)[C@H](C)NCC(=O)Nc1cccc(Cl)c1 ZINC000104435993 186001565 /nfs/dbraw/zinc/00/15/65/186001565.db2.gz ICCIGQIWJMFZAF-NSHDSACASA-N 0 3 282.815 3.693 10 0 CHAEHN FC(F)(F)c1ccc(C(F)(F)F)c(CNC2CC2)c1 ZINC000091252188 180113989 /nfs/dbraw/zinc/11/39/89/180113989.db2.gz HKYORPIUYJTOFG-UHFFFAOYSA-N 0 3 283.215 3.976 10 0 CHAEHN CC(C)c1ccc(CN2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000171413131 335065337 /nfs/dbraw/zinc/06/53/37/335065337.db2.gz BBEVUOIMBTWAFC-GOSISDBHSA-N 0 3 283.419 3.881 10 0 CHAEHN CC(C)OC[C@H](N)c1ccc(-c2ccccc2)cc1 ZINC000019282388 170772446 /nfs/dbraw/zinc/77/24/46/170772446.db2.gz HBRGFYZUHVNFSC-KRWDZBQOSA-N 0 3 255.361 3.778 10 0 CHAEHN N[C@H](c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000019414864 170791286 /nfs/dbraw/zinc/79/12/86/170791286.db2.gz XDZAZPSMRRQAGP-CYBMUJFWSA-N 0 3 253.679 3.666 10 0 CHAEHN CC(C)n1c2ccccc2nc1[C@@H](N)Cc1ccccc1 ZINC000019750488 170852542 /nfs/dbraw/zinc/85/25/42/170852542.db2.gz MUHNTGHQJHVFLI-HNNXBMFYSA-N 0 3 279.387 3.860 10 0 CHAEHN COc1cccc(OC)c1Oc1ccc(F)cc1[C@H](C)N ZINC000019873427 170903399 /nfs/dbraw/zinc/90/33/99/170903399.db2.gz KFEMCMVFEICYBO-JTQLQIEISA-N 0 3 291.322 3.655 10 0 CHAEHN COc1cc([C@H](C)NCc2ccc(C)cc2)ccc1O ZINC000019962591 170944085 /nfs/dbraw/zinc/94/40/85/170944085.db2.gz NHXCRLJGYMUBNY-ZDUSSCGKSA-N 0 3 271.360 3.560 10 0 CHAEHN CCOc1cc(CN[C@@H](C)c2ccccc2C)ccc1O ZINC000020126106 171009684 /nfs/dbraw/zinc/00/96/84/171009684.db2.gz AGGUNVKYFASPBI-AWEZNQCLSA-N 0 3 285.387 3.950 10 0 CHAEHN C[C@@H](N[C@H](CN(C)C)c1ccccc1)c1ccccc1 ZINC000020129310 171016938 /nfs/dbraw/zinc/01/69/38/171016938.db2.gz MEBXHYYUBTYHNN-CRAIPNDOSA-N 0 3 268.404 3.640 10 0 CHAEHN C[C@@H](NCc1ccncc1)c1cccc(Br)c1 ZINC000020139801 171027226 /nfs/dbraw/zinc/02/72/26/171027226.db2.gz WQCHCQGZWNEEAC-LLVKDONJSA-N 0 3 291.192 3.695 10 0 CHAEHN C[C@H](N[C@@H](C)[C@@H]1CCCO1)c1ccccc1Br ZINC000020206723 171071068 /nfs/dbraw/zinc/07/10/68/171071068.db2.gz OOPBOOGRNSHMKO-MJVIPROJSA-N 0 3 298.224 3.667 10 0 CHAEHN C[C@H](N[C@@H](C)[C@@H]1CCCO1)c1ccc(F)c(Cl)c1 ZINC000020208217 171072542 /nfs/dbraw/zinc/07/25/42/171072542.db2.gz QKNWBKHCVZPZOO-BHDSKKPTSA-N 0 3 271.763 3.697 10 0 CHAEHN CCc1ccc([C@@H](CN)N(C)Cc2ccc(F)cc2)cc1 ZINC000020225708 171089368 /nfs/dbraw/zinc/08/93/68/171089368.db2.gz UMZFQDFWRYTIJB-GOSISDBHSA-N 0 3 286.394 3.520 10 0 CHAEHN CN(Cc1ccccc1F)[C@@H](CN)c1ccc(Cl)cc1 ZINC000020226004 171090457 /nfs/dbraw/zinc/09/04/57/171090457.db2.gz XROBVKVCFRSTOB-INIZCTEOSA-N 0 3 292.785 3.611 10 0 CHAEHN CN(CC1CCCCC1)[C@@H](CN)c1c(F)cccc1Cl ZINC000020226292 171091378 /nfs/dbraw/zinc/09/13/78/171091378.db2.gz FFOANPCPPTUHPF-HNNXBMFYSA-N 0 3 298.833 3.991 10 0 CHAEHN Cc1nc(Cc2ccc(Cl)cc2Cl)sc1CN ZINC000020273794 171130967 /nfs/dbraw/zinc/13/09/67/171130967.db2.gz IEHFCQAXBUCWOS-UHFFFAOYSA-N 0 3 287.215 3.808 10 0 CHAEHN Cc1cc(CN[C@@H]2CCCc3occc32)cc(C)c1O ZINC000020424333 171191082 /nfs/dbraw/zinc/19/10/82/171191082.db2.gz YAVOCKUBVGVWMC-OAHLLOKOSA-N 0 3 271.360 3.769 10 0 CHAEHN N[C@H](Cc1c(F)cccc1Cl)c1ccc(F)cc1F ZINC000020425919 171192155 /nfs/dbraw/zinc/19/21/55/171192155.db2.gz CTWPWIBZQPVKKB-CQSZACIVSA-N 0 3 285.696 4.000 10 0 CHAEHN Cc1ccccc1[C@@H](N)c1ccc(OC(C)C)cc1 ZINC000020434856 171200510 /nfs/dbraw/zinc/20/05/10/171200510.db2.gz XYMNPBUXCDGJEF-KRWDZBQOSA-N 0 3 255.361 3.830 10 0 CHAEHN CC1CCC(Oc2cccc(Cl)c2CN)CC1 ZINC000020470111 171211772 /nfs/dbraw/zinc/21/17/72/171211772.db2.gz ILFLUMIGNTZEMO-UHFFFAOYSA-N 0 3 253.773 3.756 10 0 CHAEHN COc1ccc(F)cc1[C@H](N)CCC1CCCC1 ZINC000020470506 171212076 /nfs/dbraw/zinc/21/20/76/171212076.db2.gz XIIYUCDSNHNZPN-CQSZACIVSA-N 0 3 251.345 3.805 10 0 CHAEHN CC(C)(C)OC[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000020510876 171230764 /nfs/dbraw/zinc/23/07/64/171230764.db2.gz YEZUVXYIRVRQLF-LLVKDONJSA-N 0 3 261.287 3.520 10 0 CHAEHN C[C@@H]1CCC[C@@H](Oc2cccc(Cl)c2CN)C1 ZINC000020517780 171233299 /nfs/dbraw/zinc/23/32/99/171233299.db2.gz SKGFZOJXJDVOND-GHMZBOCLSA-N 0 3 253.773 3.756 10 0 CHAEHN COc1ccc([C@H](N)c2cccc(C)c2)cc1Cl ZINC000020521877 171235330 /nfs/dbraw/zinc/23/53/30/171235330.db2.gz ZTLOSTIXHHQRHV-OAHLLOKOSA-N 0 3 261.752 3.705 10 0 CHAEHN CCCOc1ccc([C@H](N)CO[C@@H](C)CC(C)C)cc1 ZINC000020549499 171246412 /nfs/dbraw/zinc/24/64/12/171246412.db2.gz SIYOBUSJMJHWGV-WMLDXEAASA-N 0 3 279.424 3.926 10 0 CHAEHN Fc1ccc(N[C@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000020595889 171264344 /nfs/dbraw/zinc/26/43/44/171264344.db2.gz JKPATRPQYZAMTP-HNNXBMFYSA-N 0 3 288.341 3.651 10 0 CHAEHN Fc1cc(F)cc(N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000020595918 171264529 /nfs/dbraw/zinc/26/45/29/171264529.db2.gz GJXMBGNPWTXBSO-MRXNPFEDSA-N 0 3 288.341 3.651 10 0 CHAEHN CCc1cccc(O[C@@H](C)[C@@H](N)c2ccccc2)c1 ZINC000021505303 171307378 /nfs/dbraw/zinc/30/73/78/171307378.db2.gz CJDNCDVQHIGPQM-SUMWQHHRSA-N 0 3 255.361 3.716 10 0 CHAEHN Cc1ccc(OC[C@H](N)c2ccc(C)cc2C)c(C)c1 ZINC000021513563 171311273 /nfs/dbraw/zinc/31/12/73/171311273.db2.gz IZQBBOAZHOVETA-KRWDZBQOSA-N 0 3 269.388 3.999 10 0 CHAEHN COc1ccc(C)cc1[C@H](N)COc1cc(C)cc(C)c1 ZINC000021518681 171314841 /nfs/dbraw/zinc/31/48/41/171314841.db2.gz XWRNXISVTNBDAL-QGZVFWFLSA-N 0 3 285.387 3.699 10 0 CHAEHN CC(C)(C)c1ccccc1Oc1ncccc1CN ZINC000022166266 171365603 /nfs/dbraw/zinc/36/56/03/171365603.db2.gz RJYPTLSIGQVFTB-UHFFFAOYSA-N 0 3 256.349 3.630 10 0 CHAEHN Cc1cc(Oc2ncccc2CN)ccc1C(C)C ZINC000022223380 171379355 /nfs/dbraw/zinc/37/93/55/171379355.db2.gz AGDQRXXUWNLDHS-UHFFFAOYSA-N 0 3 256.349 3.764 10 0 CHAEHN CCOc1ccc(O[C@@H](C)[C@@H](N)c2ccccc2)cc1 ZINC000023066638 171408122 /nfs/dbraw/zinc/40/81/22/171408122.db2.gz LNYQQJWXRZXBKR-SUMWQHHRSA-N 0 3 271.360 3.553 10 0 CHAEHN CCNCc1ccccc1N(CC)c1ccccc1 ZINC000034824064 171878027 /nfs/dbraw/zinc/87/80/27/171878027.db2.gz AFPABOJVFWVOTM-UHFFFAOYSA-N 0 3 254.377 3.954 10 0 CHAEHN Cc1ccc(CN[C@@H]2CCCC[C@H]2C(F)(F)F)o1 ZINC000035258122 172089199 /nfs/dbraw/zinc/08/91/99/172089199.db2.gz PEKMDTGHNUNXPU-VXGBXAGGSA-N 0 3 261.287 3.799 10 0 CHAEHN C[C@@H](NC1=N[C@@H](C)CS1)C12CC3CC(CC(C3)C1)C2 ZINC000035294341 172105811 /nfs/dbraw/zinc/10/58/11/172105811.db2.gz ONPQBSUYNVVFAK-NUOQBOJZSA-N 0 3 278.465 3.672 10 0 CHAEHN CN[C@@H](c1ccc(C)s1)c1ccc(F)c(F)c1 ZINC000035459001 172208198 /nfs/dbraw/zinc/20/81/98/172208198.db2.gz PSEPKKPCYXLPOS-CYBMUJFWSA-N 0 3 253.317 3.644 10 0 CHAEHN CN[C@H](c1ccc(C)s1)c1cc(F)cc(F)c1 ZINC000035459066 172208324 /nfs/dbraw/zinc/20/83/24/172208324.db2.gz AUKVFTMLDZDENY-ZDUSSCGKSA-N 0 3 253.317 3.644 10 0 CHAEHN CN[C@H](c1ccc(C)s1)c1ccc(C)c(OC)c1 ZINC000035458979 172208603 /nfs/dbraw/zinc/20/86/03/172208603.db2.gz OCLYYKGCIQCZPM-HNNXBMFYSA-N 0 3 261.390 3.682 10 0 CHAEHN CN[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000035460011 172208815 /nfs/dbraw/zinc/20/88/15/172208815.db2.gz GYWFYFRFSZKOIM-INIZCTEOSA-N 0 3 257.402 3.936 10 0 CHAEHN CCc1ccc([C@H](NC)c2ccc(F)c(F)c2)s1 ZINC000035460830 172209131 /nfs/dbraw/zinc/20/91/31/172209131.db2.gz KNTADJJQDHHSPT-CQSZACIVSA-N 0 3 267.344 3.898 10 0 CHAEHN CN[C@@H](c1ccoc1C)c1ccc(Br)cc1 ZINC000035462369 172210967 /nfs/dbraw/zinc/21/09/67/172210967.db2.gz ROTRYDOEJTYAOK-CYBMUJFWSA-N 0 3 280.165 3.659 10 0 CHAEHN CN[C@@H](CC(F)(F)F)c1ccc(OC)c(Cl)c1 ZINC000035462218 172211078 /nfs/dbraw/zinc/21/10/78/172211078.db2.gz BJCZPYDAWHOQPA-VIFPVBQESA-N 0 3 267.678 3.562 10 0 CHAEHN CN[C@H](c1cc2c(s1)CCC2)c1ccc(F)cc1 ZINC000035463533 172211402 /nfs/dbraw/zinc/21/14/02/172211402.db2.gz DSSQWDKSPZFPAB-HNNXBMFYSA-N 0 3 261.365 3.685 10 0 CHAEHN CCOc1ccc([C@@H](NC)c2cccc(C)c2)cc1 ZINC000035466541 172214340 /nfs/dbraw/zinc/21/43/40/172214340.db2.gz JGKQQISQPYMIGY-QGZVFWFLSA-N 0 3 255.361 3.703 10 0 CHAEHN CN[C@H](c1cccs1)c1ccc(OC(F)F)cc1 ZINC000035487882 172222696 /nfs/dbraw/zinc/22/26/96/172222696.db2.gz LPCBLMOCLZVNHT-LBPRGKRZSA-N 0 3 269.316 3.658 10 0 CHAEHN CN[C@@H](Cc1ccccc1C)c1ccc(F)cc1F ZINC000035491807 172226530 /nfs/dbraw/zinc/22/65/30/172226530.db2.gz ZVGXJRSRHRVYIO-INIZCTEOSA-N 0 3 261.315 3.776 10 0 CHAEHN CN[C@H](c1sccc1C)c1ccc(F)c(F)c1 ZINC000035494142 172228114 /nfs/dbraw/zinc/22/81/14/172228114.db2.gz ZDUTUVCVAGJHDZ-LBPRGKRZSA-N 0 3 253.317 3.644 10 0 CHAEHN CN[C@@H](c1ccc2c(c1)CCC2)c1ccccc1C ZINC000035497080 172230857 /nfs/dbraw/zinc/23/08/57/172230857.db2.gz YDMILPIRKGMMOJ-SFHVURJKSA-N 0 3 251.373 3.793 10 0 CHAEHN CN[C@@H](c1ccc(Cl)s1)c1ccc(F)c(F)c1 ZINC000035498180 172231553 /nfs/dbraw/zinc/23/15/53/172231553.db2.gz JITKZULKKMIPEU-GFCCVEGCSA-N 0 3 273.735 3.989 10 0 CHAEHN CN[C@H](c1ccc(C)s1)c1cc(F)ccc1OC ZINC000035498975 172232229 /nfs/dbraw/zinc/23/22/29/172232229.db2.gz BKEOLIRICAWVGC-AWEZNQCLSA-N 0 3 265.353 3.513 10 0 CHAEHN CN[C@H](c1ccc(Cl)s1)c1cccc(F)c1 ZINC000035498358 172232503 /nfs/dbraw/zinc/23/25/03/172232503.db2.gz QXFDYXCOTDNMFI-LBPRGKRZSA-N 0 3 255.745 3.849 10 0 CHAEHN CCOc1ccc(Br)cc1[C@H](NC)[C@@H]1C[C@@H]1C ZINC000035505970 172239084 /nfs/dbraw/zinc/23/90/84/172239084.db2.gz OYZVPEICUQOMOA-DRCTWCGVSA-N 0 3 298.224 3.764 10 0 CHAEHN CN[C@H](c1ccc(C)s1)c1ccc(OC)c(C)c1 ZINC000035506066 172239415 /nfs/dbraw/zinc/23/94/15/172239415.db2.gz APLRKWSQQFMWDC-HNNXBMFYSA-N 0 3 261.390 3.682 10 0 CHAEHN CCN[C@@H](c1ccoc1)c1ccc(Br)cc1 ZINC000035538778 172245443 /nfs/dbraw/zinc/24/54/43/172245443.db2.gz LMEBVSCLZCVLID-CYBMUJFWSA-N 0 3 280.165 3.741 10 0 CHAEHN CCN[C@H](c1ccsc1)c1ccc(CCOC)cc1 ZINC000035541925 172249265 /nfs/dbraw/zinc/24/92/65/172249265.db2.gz GVDRNDGADBSARO-INIZCTEOSA-N 0 3 275.417 3.636 10 0 CHAEHN CCN[C@@H](c1cc2c(cc1Cl)OCCO2)[C@H](C)CC ZINC000035557787 172263245 /nfs/dbraw/zinc/26/32/45/172263245.db2.gz HZZUXRRZUMPHRY-MEBBXXQBSA-N 0 3 283.799 3.808 10 0 CHAEHN CCN[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 ZINC000035558263 172263585 /nfs/dbraw/zinc/26/35/85/172263585.db2.gz GMAJZBXSRFCWMY-OLZOCXBDSA-N 0 3 274.191 3.823 10 0 CHAEHN CCC[C@@H](NCC)c1cc2c(cc1Cl)OCCO2 ZINC000035557733 172263910 /nfs/dbraw/zinc/26/39/10/172263910.db2.gz HCNFYYZLXRRMDZ-GFCCVEGCSA-N 0 3 269.772 3.562 10 0 CHAEHN CCN[C@H](c1ccsc1)c1ccc(OC)c(F)c1 ZINC000035572036 172268001 /nfs/dbraw/zinc/26/80/01/172268001.db2.gz XHNKAYPIZKWMAV-AWEZNQCLSA-N 0 3 265.353 3.595 10 0 CHAEHN CCCN[C@@H](c1cccs1)c1ccc2c(c1)CCO2 ZINC000035579122 172275278 /nfs/dbraw/zinc/27/52/78/172275278.db2.gz MMFAPFXZQNITCV-MRXNPFEDSA-N 0 3 273.401 3.772 10 0 CHAEHN CCCN[C@@H](c1ccc(Cl)s1)c1cccnc1 ZINC000035583569 172281959 /nfs/dbraw/zinc/28/19/59/172281959.db2.gz AHJTWYGYQFFRJF-CYBMUJFWSA-N 0 3 266.797 3.886 10 0 CHAEHN CCCN[C@@H]1CCOc2c(Cl)ccc(Cl)c21 ZINC000035654245 172331002 /nfs/dbraw/zinc/33/10/02/172331002.db2.gz QEUDNUKIWHIIGJ-SNVBAGLBSA-N 0 3 260.164 3.817 10 0 CHAEHN CCc1cc2c(c(C(C)(C)C)c1)OC[C@@H]2NC1CC1 ZINC000035654403 172331715 /nfs/dbraw/zinc/33/17/15/172331715.db2.gz DGGBQQOELRYLBA-HNNXBMFYSA-N 0 3 259.393 3.732 10 0 CHAEHN Cc1cc2c(c(C)c1Cl)[C@@H](NC(C)C)CCO2 ZINC000035657756 172332294 /nfs/dbraw/zinc/33/22/94/172332294.db2.gz NLJWXBSQNJHEOI-NSHDSACASA-N 0 3 253.773 3.778 10 0 CHAEHN CN(Cc1ccsc1)[C@H](CN)c1ccc(Cl)cc1 ZINC000035719113 172373279 /nfs/dbraw/zinc/37/32/79/172373279.db2.gz RMZYEJDTDKKVQY-CQSZACIVSA-N 0 3 280.824 3.533 10 0 CHAEHN CC(C)CSc1ccc(CN)c(C(F)(F)F)c1 ZINC000035719883 172374926 /nfs/dbraw/zinc/37/49/26/172374926.db2.gz BEAVGWKXXBDILG-UHFFFAOYSA-N 0 3 263.328 3.912 10 0 CHAEHN C[C@H]1C[C@H](NC2CC2)c2cc3c(cc2S1)CCC3 ZINC000035761116 172399559 /nfs/dbraw/zinc/39/95/59/172399559.db2.gz OPIMRAVTYWZHSI-BONVTDFDSA-N 0 3 259.418 3.853 10 0 CHAEHN CCCN[C@H]1C[C@@H](C)Sc2c(F)cc(F)cc21 ZINC000035763022 172403028 /nfs/dbraw/zinc/40/30/28/172403028.db2.gz AEKFAJFGHLOOKG-PELKAZGASA-N 0 3 257.349 3.890 10 0 CHAEHN CCc1ccc([C@H](N)[C@@H](C)Oc2ccccc2)cc1 ZINC000037224099 173044618 /nfs/dbraw/zinc/04/46/18/173044618.db2.gz SUEJYFNGOXOYEV-CXAGYDPISA-N 0 3 255.361 3.716 10 0 CHAEHN CC[C@H](C)N(CC)Cc1cc(C(C)=O)ccc1OC ZINC000037315193 173116554 /nfs/dbraw/zinc/11/65/54/173116554.db2.gz AIMMJXKIWGZVGU-LBPRGKRZSA-N 0 3 263.381 3.518 10 0 CHAEHN N[C@@H](CC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000037378411 173166624 /nfs/dbraw/zinc/16/66/24/173166624.db2.gz RCOFBUUJQYYACV-QMMMGPOBSA-N 0 3 258.070 3.946 10 0 CHAEHN CCCn1c2ccc(C)cc2nc1[C@H](N)CC(C)C ZINC000037438228 173208595 /nfs/dbraw/zinc/20/85/95/173208595.db2.gz PKTBWPMAOMPYSP-CYBMUJFWSA-N 0 3 259.397 3.801 10 0 CHAEHN CCCn1c2ccc(C)cc2nc1[C@@H](N)CC(C)C ZINC000037438231 173208862 /nfs/dbraw/zinc/20/88/62/173208862.db2.gz PKTBWPMAOMPYSP-ZDUSSCGKSA-N 0 3 259.397 3.801 10 0 CHAEHN CCCn1c2ccc(F)cc2nc1[C@@H](N)CC(C)C ZINC000037439535 173209781 /nfs/dbraw/zinc/20/97/81/173209781.db2.gz TXHVIFOPLQGLJO-LBPRGKRZSA-N 0 3 263.360 3.631 10 0 CHAEHN CCCN[C@H](c1ccsc1)c1cccc(OC)c1 ZINC000037534729 173254637 /nfs/dbraw/zinc/25/46/37/173254637.db2.gz LZFMHCGOBDSRAN-HNNXBMFYSA-N 0 3 261.390 3.846 10 0 CHAEHN CN[C@@H](c1c(F)cc(OC)cc1F)C1CCCCC1 ZINC000037903582 173834581 /nfs/dbraw/zinc/83/45/81/173834581.db2.gz UPXPFOGQGZXFCT-OAHLLOKOSA-N 0 3 269.335 3.814 10 0 CHAEHN CCC[C@H](NCc1cn[nH]c1)c1ccc(Cl)cc1 ZINC000038005960 173968513 /nfs/dbraw/zinc/96/85/13/173968513.db2.gz PIGMJHZNKRMUJF-AWEZNQCLSA-N 0 3 263.772 3.694 10 0 CHAEHN CC(C)NCc1c(Cl)cccc1-n1cc(Cl)cn1 ZINC000038053867 174065070 /nfs/dbraw/zinc/06/50/70/174065070.db2.gz DFDWFIYRGCELQN-UHFFFAOYSA-N 0 3 284.190 3.677 10 0 CHAEHN CN[C@@H](c1ccc(C)s1)c1ccc2c(c1)CCCO2 ZINC000038057884 174068081 /nfs/dbraw/zinc/06/80/81/174068081.db2.gz NGWSSAGMPNZWKB-MRXNPFEDSA-N 0 3 273.401 3.690 10 0 CHAEHN N[C@H](c1cccc(Cl)c1)c1ccc2c(c1)CCCO2 ZINC000038057787 174068375 /nfs/dbraw/zinc/06/83/75/174068375.db2.gz INYABIDRZJCQPU-MRXNPFEDSA-N 0 3 273.763 3.713 10 0 CHAEHN CCOc1ccc(-c2ccc(CNC)c(F)c2)cc1 ZINC000038070389 174081602 /nfs/dbraw/zinc/08/16/02/174081602.db2.gz YPWDGZISWFQOML-UHFFFAOYSA-N 0 3 259.324 3.611 10 0 CHAEHN CCNCc1ccc(-c2ccc(OC)cc2)cc1F ZINC000038070975 174082121 /nfs/dbraw/zinc/08/21/21/174082121.db2.gz BTYULPUHEWBKJI-UHFFFAOYSA-N 0 3 259.324 3.611 10 0 CHAEHN CNCc1cc(-c2ccc(F)c(C)c2)ccc1OC ZINC000038071328 174082149 /nfs/dbraw/zinc/08/21/49/174082149.db2.gz HTXAYSUSZKTLBK-UHFFFAOYSA-N 0 3 259.324 3.529 10 0 CHAEHN CCCNCc1csc(-c2ccccc2Cl)n1 ZINC000040419365 174257024 /nfs/dbraw/zinc/25/70/24/174257024.db2.gz AMSOUQJLPLGCAS-UHFFFAOYSA-N 0 3 266.797 3.963 10 0 CHAEHN C[C@H](N)c1cccc(Cl)c1OCc1ccccc1 ZINC000041352805 174531027 /nfs/dbraw/zinc/53/10/27/174531027.db2.gz HUFHKXXGNURIAF-NSHDSACASA-N 0 3 261.752 3.939 10 0 CHAEHN CC(C)C[C@H](C)N(C)c1cc(Br)ccc1CN ZINC000042588329 174810335 /nfs/dbraw/zinc/81/03/35/174810335.db2.gz MMAHFRGXLDXWNH-NSHDSACASA-N 0 3 299.256 3.779 10 0 CHAEHN Cc1cccc(C[C@H](N)c2cc3ccccc3o2)c1 ZINC000052127157 175532677 /nfs/dbraw/zinc/53/26/77/175532677.db2.gz JQWFGXXJUJUAML-HNNXBMFYSA-N 0 3 251.329 3.984 10 0 CHAEHN CCCOc1ccc([C@H](N)c2cc(C)oc2C)cc1 ZINC000077072349 177188509 /nfs/dbraw/zinc/18/85/09/177188509.db2.gz UZAGAGNTDYWUAJ-INIZCTEOSA-N 0 3 259.349 3.733 10 0 CHAEHN c1n[nH]cc1[C@H]1CCCCN1CCCc1ccccc1 ZINC000114201743 228112986 /nfs/dbraw/zinc/11/29/86/228112986.db2.gz APXBUWWJOBXRSV-QGZVFWFLSA-N 0 3 269.392 3.570 10 0 CHAEHN OC[C@H]1CCCC[C@@H]1NCc1cc(Cl)sc1Cl ZINC000312600400 260173033 /nfs/dbraw/zinc/17/30/33/260173033.db2.gz KRMCYHKYFKNQFQ-SCZZXKLOSA-N 0 3 294.247 3.696 10 0 CHAEHN CCCn1ccc(CN[C@H]2CCCc3occc32)c1 ZINC000091010003 260264802 /nfs/dbraw/zinc/26/48/02/260264802.db2.gz IMTMOQLLGPRBMV-HNNXBMFYSA-N 0 3 258.365 3.658 10 0 CHAEHN CCCn1ccc(CN[C@H](C)c2cccc(OC)c2)c1 ZINC000091012332 260264845 /nfs/dbraw/zinc/26/48/45/260264845.db2.gz PMOOGRDTPQYJQZ-CQSZACIVSA-N 0 3 272.392 3.758 10 0 CHAEHN CCn1cccc1CN[C@H](C)c1ccc(OC)c(F)c1 ZINC000091024550 260265061 /nfs/dbraw/zinc/26/50/61/260265061.db2.gz XWVAXHZSZXJNJN-GFCCVEGCSA-N 0 3 276.355 3.507 10 0 CHAEHN CCn1cc(C2CCN(Cc3ccc(C)s3)CC2)cn1 ZINC000092809187 260503046 /nfs/dbraw/zinc/50/30/46/260503046.db2.gz VEUSOYBCFOCSSF-UHFFFAOYSA-N 0 3 289.448 3.653 10 0 CHAEHN Cc1cc2c(cc1C)[C@H](N[C@@H](C)[C@@H]1CCCO1)CCS2 ZINC000186995073 262334092 /nfs/dbraw/zinc/33/40/92/262334092.db2.gz HAIXMMKOUORHEU-IMJJTQAJSA-N 0 3 291.460 3.997 10 0 CHAEHN Cc1ccccc1OCCCN1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482379 266296916 /nfs/dbraw/zinc/29/69/16/266296916.db2.gz LPLSYYDGGWNOKN-QGZVFWFLSA-N 0 3 299.418 3.714 10 0 CHAEHN Cc1ccc([C@H](C)NCc2ccncc2C)cc1C ZINC000228659297 267113108 /nfs/dbraw/zinc/11/31/08/267113108.db2.gz YHNRTUBKFQTAKO-HNNXBMFYSA-N 0 3 254.377 3.858 10 0 CHAEHN CCOc1ccccc1OCCN[C@@H](C)c1cccs1 ZINC000053565172 327718316 /nfs/dbraw/zinc/71/83/16/327718316.db2.gz YEWOFIHRSFNIRQ-ZDUSSCGKSA-N 0 3 291.416 3.876 10 0 CHAEHN C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)c1ccc(C(C)(C)C)cc1 ZINC000040462418 327907387 /nfs/dbraw/zinc/90/73/87/327907387.db2.gz VNYPBFNGIIVRPV-IUODEOHRSA-N 0 3 290.451 3.535 10 0 CHAEHN C[C@H](N[C@@H]1C[C@H]1C)c1ccc(F)cc1Br ZINC000120447332 330387973 /nfs/dbraw/zinc/38/79/73/330387973.db2.gz YRZMRBRGXKTYJK-RGNHYFCHSA-N 0 3 272.161 3.647 10 0 CHAEHN COc1ccc2c(c1)[C@H](N[C@H]1CCc3ccccc31)CC2 ZINC000092835530 327104032 /nfs/dbraw/zinc/10/40/32/327104032.db2.gz XTWSKYZFEYFMAF-RBUKOAKNSA-N 0 3 279.383 3.960 10 0 CHAEHN CO[C@H](C)[C@H](C)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000191649609 329416293 /nfs/dbraw/zinc/41/62/93/329416293.db2.gz RQDWYLPIKIMVJF-SQWLQELKSA-N 0 3 289.419 3.836 10 0 CHAEHN O[C@@H]1CCCC[C@@H]1CN[C@@H]1CCSc2ccc(F)cc21 ZINC000248180807 329888242 /nfs/dbraw/zinc/88/82/42/329888242.db2.gz WJJMGAPBTVKRCJ-KCPJHIHWSA-N 0 3 295.423 3.503 10 0 CHAEHN CO[C@@H]1CC[C@H](N[C@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000249024499 329903770 /nfs/dbraw/zinc/90/37/70/329903770.db2.gz KRLHSJABCCYNOE-GUTXKFCHSA-N 0 3 293.382 3.585 10 0 CHAEHN Cc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)no1 ZINC000044295858 330327306 /nfs/dbraw/zinc/32/73/06/330327306.db2.gz YXHVZLLZXOKJOV-ORVZXPRGSA-N 0 3 274.408 3.678 10 0 CHAEHN C[C@H](N[C@H]1C[C@@H]1C)c1ccc(F)cc1Br ZINC000120447167 330387980 /nfs/dbraw/zinc/38/79/80/330387980.db2.gz YRZMRBRGXKTYJK-UBJUHAIHSA-N 0 3 272.161 3.647 10 0 CHAEHN Fc1ccccc1CCN1CCC[C@@H]1c1ccco1 ZINC000121381182 330399679 /nfs/dbraw/zinc/39/96/79/330399679.db2.gz WQQUHFNKAPLUTE-OAHLLOKOSA-N 0 3 259.324 3.798 10 0 CHAEHN CCc1nc(C)c(CN[C@H]2C[C@@H](C)CC(C)(C)C2)o1 ZINC000311801649 333072865 /nfs/dbraw/zinc/07/28/65/333072865.db2.gz UJHBQRXGXLURKY-YPMHNXCESA-N 0 3 264.413 3.850 10 0 CHAEHN Cc1cncc([C@@H](C)N[C@@H](C)COCc2ccccc2)c1 ZINC000184371144 333127523 /nfs/dbraw/zinc/12/75/23/333127523.db2.gz JWOVDHVAUZBFOI-JKSUJKDBSA-N 0 3 284.403 3.646 10 0 CHAEHN CC(C)CC[C@@H]1CCC[C@H]1NCc1nnc(C(C)C)n1C ZINC000191878298 333226833 /nfs/dbraw/zinc/22/68/33/333226833.db2.gz BATVMKIJBNNTQH-LSDHHAIUSA-N 0 3 292.471 3.633 10 0 CHAEHN Cc1ccc([C@@H](C)NC[C@H](O)CC2CCCC2)cc1F ZINC000232133317 333334444 /nfs/dbraw/zinc/33/44/44/333334444.db2.gz VWBXNVQZVLBGCH-CZUORRHYSA-N 0 3 279.399 3.726 10 0 CHAEHN CCC[C@H]1C[C@H]1NCc1cccc(F)c1Br ZINC000233409706 333352203 /nfs/dbraw/zinc/35/22/03/333352203.db2.gz KMUMOIVRAMEJEZ-JOYOIKCWSA-N 0 3 286.188 3.866 10 0 CHAEHN Cc1cnc([C@H](C)Nc2ccnc3ccccc32)o1 ZINC000235520559 333370468 /nfs/dbraw/zinc/37/04/68/333370468.db2.gz DRKMIVTXKWZFTI-NSHDSACASA-N 0 3 253.305 3.704 10 0 CHAEHN C[C@H](NC[C@@H]1CCC[C@@H]1O)c1cccc(Cl)c1Cl ZINC000129135499 333749507 /nfs/dbraw/zinc/74/95/07/333749507.db2.gz RDRBBFGWGDMJTJ-KWBADKCTSA-N 0 3 288.218 3.805 10 0 CHAEHN CC[C@H](C)CN[C@@H](C)c1nc2ccccc2n1CC ZINC000133567907 334045361 /nfs/dbraw/zinc/04/53/61/334045361.db2.gz DIXBAXVBPYTVEO-STQMWFEESA-N 0 3 259.397 3.753 10 0 CHAEHN C[C@H]1OCC[C@@H]1NCc1ccc(F)c(-c2cccs2)c1 ZINC000134241841 334085248 /nfs/dbraw/zinc/08/52/48/334085248.db2.gz GRIXOTAWTXMDAZ-ABAIWWIYSA-N 0 3 291.391 3.821 10 0 CHAEHN CC(C)c1ccc([C@@H](C)NC(=O)[C@]2(C)CCCCN2)cc1 ZINC000136141631 334148011 /nfs/dbraw/zinc/14/80/11/334148011.db2.gz CBSLYEHTGGNMHY-KDOFPFPSSA-N 0 3 288.435 3.519 10 0 CHAEHN O[C@]12CCCC[C@H]1CN(Cc1cc(Cl)cs1)CC2 ZINC000248655548 334311532 /nfs/dbraw/zinc/31/15/32/334311532.db2.gz BSTAPPBOXYAJLZ-FZMZJTMJSA-N 0 3 285.840 3.529 10 0 CHAEHN Cc1ccc(OC(F)F)c([C@H](C)N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000152851294 334519653 /nfs/dbraw/zinc/51/96/53/334519653.db2.gz DESFNHZHPOCXIO-OBJOEFQTSA-N 0 3 299.361 3.815 10 0 CHAEHN Cc1cccc([C@H](C)NCC(=O)Nc2ccccc2C)c1 ZINC000157320418 334766732 /nfs/dbraw/zinc/76/67/32/334766732.db2.gz YZPLEASRDZMTDC-HNNXBMFYSA-N 0 3 282.387 3.593 10 0 CHAEHN CCn1nc(C)c([C@H](C)NCc2cc(C)cs2)c1C ZINC000344614171 335259531 /nfs/dbraw/zinc/25/95/31/335259531.db2.gz QINBQRCPTIOIFA-NSHDSACASA-N 0 3 277.437 3.741 10 0 CHAEHN CCNCc1coc(COc2cc(C)cc(C)c2)c1 ZINC000052666466 520018658 /nfs/dbraw/zinc/01/86/58/520018658.db2.gz MGMQSTHPRWHMEB-UHFFFAOYSA-N 0 3 259.349 3.585 10 0 CHAEHN CCCN[C@@]1(c2nc(C(C)C)cs2)CCCSC1 ZINC000061590750 520059761 /nfs/dbraw/zinc/05/97/61/520059761.db2.gz FKQLOAGGPGGZRC-AWEZNQCLSA-N 0 3 284.494 3.988 10 0 CHAEHN CCN[C@@H](CSC)c1ccccc1C(F)(F)F ZINC000055234120 520101660 /nfs/dbraw/zinc/10/16/60/520101660.db2.gz NUXUFVSRHGUGBX-NSHDSACASA-N 0 3 263.328 3.719 10 0 CHAEHN CC(C)(C)c1ccccc1OCc1cc(CN)co1 ZINC000052652054 519062577 /nfs/dbraw/zinc/06/25/77/519062577.db2.gz FUPZODXVMUCKCV-UHFFFAOYSA-N 0 3 259.349 3.615 10 0 CHAEHN CCNC(C)(C)c1nc2c(cccc2F)n1C(C)C ZINC000061149844 519908860 /nfs/dbraw/zinc/90/88/60/519908860.db2.gz GFEHLTPQJSLFRK-UHFFFAOYSA-N 0 3 263.360 3.601 10 0 CHAEHN CCNC(C)(C)c1nc2cc(Cl)ccc2n1C1CC1 ZINC000061149822 519909261 /nfs/dbraw/zinc/90/92/61/519909261.db2.gz CKHMAEWGRBWPLR-UHFFFAOYSA-N 0 3 277.799 3.869 10 0 CHAEHN CCCN[C@@H](CC)c1nnc(-c2cccc(Cl)c2)o1 ZINC000061513165 519992948 /nfs/dbraw/zinc/99/29/48/519992948.db2.gz YRVMJCURAPMDGU-LBPRGKRZSA-N 0 3 279.771 3.841 10 0 CHAEHN CCCN[C@H](C)c1nc2cc(C)ccc2n1C(C)C ZINC000062366291 520066615 /nfs/dbraw/zinc/06/66/15/520066615.db2.gz IWCAUNUYRGHZJE-CYBMUJFWSA-N 0 3 259.397 3.986 10 0 CHAEHN CCN[C@@H](C)c1ccc(-c2cc(F)cc(F)c2)o1 ZINC000052924147 520074524 /nfs/dbraw/zinc/07/45/24/520074524.db2.gz MKGRSBCYQJYINK-VIFPVBQESA-N 0 3 251.276 3.895 10 0 CHAEHN CCCN[C@H](c1ccccn1)c1cc(F)ccc1C ZINC000055223012 520090472 /nfs/dbraw/zinc/09/04/72/520090472.db2.gz ONPXEZNFDHCVTF-INIZCTEOSA-N 0 3 258.340 3.618 10 0 CHAEHN CCN[C@H](C)c1ccc(-c2cc(F)ccc2F)o1 ZINC000052924454 520175734 /nfs/dbraw/zinc/17/57/34/520175734.db2.gz UCGDLOJCSQJXLB-SECBINFHSA-N 0 3 251.276 3.895 10 0 CHAEHN CC1CCC(OCc2ccc(CNC3CC3)o2)CC1 ZINC000052619174 520962389 /nfs/dbraw/zinc/96/23/89/520962389.db2.gz XHLINNIKJYMCRY-UHFFFAOYSA-N 0 3 263.381 3.627 10 0 CHAEHN CCCC[C@H](CC)Cn1nc(C)c([C@H](C)NC)c1C ZINC000054717979 521180565 /nfs/dbraw/zinc/18/05/65/521180565.db2.gz MVQMFIXVEWZEEG-WFASDCNBSA-N 0 3 265.445 3.997 10 0 CHAEHN CCOc1ccc2nc3c(c(NC)c2c1)CCCC3 ZINC000050868963 521308330 /nfs/dbraw/zinc/30/83/30/521308330.db2.gz VGBGUBWAZDNEOJ-UHFFFAOYSA-N 0 3 256.349 3.554 10 0 CHAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000236900371 521836801 /nfs/dbraw/zinc/83/68/01/521836801.db2.gz REMWAXDKUBSJIA-SMDDNHRTSA-N 0 3 294.464 3.889 10 0 CHAEHN CNCc1cc(COc2cc(C)cc(C)c2)c(C)o1 ZINC000052666583 522111005 /nfs/dbraw/zinc/11/10/05/522111005.db2.gz NWQUCFBYFYSCJW-UHFFFAOYSA-N 0 3 259.349 3.503 10 0 CHAEHN CN[C@@H](C)c1ccc(-c2cccc3ncccc32)o1 ZINC000052924121 522329626 /nfs/dbraw/zinc/32/96/26/522329626.db2.gz CMLGXGCMGNEFEX-NSHDSACASA-N 0 3 252.317 3.775 10 0 CHAEHN CC[C@H](NCc1ncc(CSC)s1)C(C)C ZINC000293429632 522671342 /nfs/dbraw/zinc/67/13/42/522671342.db2.gz BASGZMLWPJMWBY-NSHDSACASA-N 0 3 258.456 3.530 10 0 CHAEHN CC[C@H](C)CNCC(=O)Nc1c(Cl)cccc1Cl ZINC000054471401 523883522 /nfs/dbraw/zinc/88/35/22/523883522.db2.gz ZJIQFFTYEDGIJU-VIFPVBQESA-N 0 3 289.206 3.568 10 0 CHAEHN C[C@H]1CN(Cc2cccc(Cl)c2)c2ccccc2CN1 ZINC000062673113 524622879 /nfs/dbraw/zinc/62/28/79/524622879.db2.gz ARSYXOWSBFMIDA-ZDUSSCGKSA-N 0 3 286.806 3.838 10 0 CHAEHN COc1ccccc1[C@@H](N)Cc1cc(C)ccc1C ZINC000049257929 524737712 /nfs/dbraw/zinc/73/77/12/524737712.db2.gz UOMYPBJXPLBVLT-INIZCTEOSA-N 0 3 255.361 3.555 10 0 CHAEHN Cc1cc(CNCC(C)C)nc(C2CCCCC2)n1 ZINC000054832396 524753040 /nfs/dbraw/zinc/75/30/40/524753040.db2.gz MXRTZNGAYZUORG-UHFFFAOYSA-N 0 3 261.413 3.578 10 0 CHAEHN C[C@H](N)c1cc(F)ccc1OCCc1cccs1 ZINC000049585764 524861589 /nfs/dbraw/zinc/86/15/89/524861589.db2.gz IBBFIHWPRYBKLO-JTQLQIEISA-N 0 3 265.353 3.528 10 0 CHAEHN Cc1ccccc1[C@@H](N[C@H](C)CCCO)c1ccccc1 ZINC000094941977 525375853 /nfs/dbraw/zinc/37/58/53/525375853.db2.gz NIGGRYPVEXZAQR-APWZRJJASA-N 0 3 283.415 3.835 10 0 CHAEHN C[C@@H](NCc1cccn1C)c1ccc(Cl)s1 ZINC000050595402 525540795 /nfs/dbraw/zinc/54/07/95/525540795.db2.gz BZUYWRDCZRLOHS-SECBINFHSA-N 0 3 254.786 3.591 10 0 CHAEHN C[C@@H]1[C@@H](C)CCCN1Cc1c(N)cccc1Br ZINC000050563133 525639837 /nfs/dbraw/zinc/63/98/37/525639837.db2.gz QTYYSCJITSBQKQ-WDEREUQCSA-N 0 3 297.240 3.652 10 0 CHAEHN C[C@@H]1c2ccsc2CCN1c1ccc(Cl)cc1CN ZINC000052857573 525736114 /nfs/dbraw/zinc/73/61/14/525736114.db2.gz XVDQSFVLTISUCA-SNVBAGLBSA-N 0 3 292.835 3.984 10 0 CHAEHN C[C@@H](c1nc(-c2ccsc2)no1)[C@H](N)c1ccccc1 ZINC000157948365 526166297 /nfs/dbraw/zinc/16/62/97/526166297.db2.gz WMRDJXZEWCGKEQ-MFKMUULPSA-N 0 3 285.372 3.602 10 0 CHAEHN Fc1ccc(CN2CCC[C@@H](c3nccs3)C2)cc1 ZINC000157016370 526332715 /nfs/dbraw/zinc/33/27/15/526332715.db2.gz AZLVPUVKDIXEGK-CYBMUJFWSA-N 0 3 276.380 3.662 10 0 CHAEHN N[C@H](Cc1cccc(F)c1F)c1ccc(Cl)cc1F ZINC000062786056 527388325 /nfs/dbraw/zinc/38/83/25/527388325.db2.gz FXIMOVHGTKXMCW-CYBMUJFWSA-N 0 3 285.696 4.000 10 0 CHAEHN N[C@]1(c2cc(F)ccc2F)CCCc2ccccc21 ZINC000055242657 527422141 /nfs/dbraw/zinc/42/21/41/527422141.db2.gz VBJHJRGXDOCMJN-MRXNPFEDSA-N 0 3 259.299 3.503 10 0 CHAEHN Brc1ccc([C@@H]2NCCc3ccsc32)cc1 ZINC000084704881 567032174 /nfs/dbraw/zinc/03/21/74/567032174.db2.gz DPLDMXAQACEFEH-LBPRGKRZSA-N 0 3 294.217 3.746 10 0 CHAEHN Cc1cccc(Sc2ccccc2N2CCNCC2)c1C ZINC000095557867 567038836 /nfs/dbraw/zinc/03/88/36/567038836.db2.gz IFZNYQPTDBKBSE-UHFFFAOYSA-N 0 3 298.455 3.864 10 0 CHAEHN NCc1csc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000040999794 567891006 /nfs/dbraw/zinc/89/10/06/567891006.db2.gz FYGNJYLXDRROPN-UHFFFAOYSA-N 0 3 296.395 3.848 10 0 CHAEHN Clc1ccc(-c2noc3c2CN(CC2CC2)CC3)cc1 ZINC000067805991 567900677 /nfs/dbraw/zinc/90/06/77/567900677.db2.gz GGBPHVIHFXKRCD-UHFFFAOYSA-N 0 3 288.778 3.763 10 0 CHAEHN CCCCOCCCNCc1ccccc1OC(C)C ZINC000040731293 567907713 /nfs/dbraw/zinc/90/77/13/567907713.db2.gz RKSKFFRJKGEJMP-UHFFFAOYSA-N 0 3 279.424 3.770 10 0 CHAEHN Brc1cccc([C@@H]2NCCc3sccc32)c1 ZINC000084704912 567931432 /nfs/dbraw/zinc/93/14/32/567931432.db2.gz DUZNXCADQGUBIT-ZDUSSCGKSA-N 0 3 294.217 3.746 10 0 CHAEHN CCCc1nc(-c2ccccc2OCC)sc1CN ZINC000082428357 178004328 /nfs/dbraw/zinc/00/43/28/178004328.db2.gz SZKABPQRUXYJMG-UHFFFAOYSA-N 0 3 276.405 3.620 10 0 CHAEHN CCC1(CC)C[C@H](NC)c2cc(Cl)ccc2O1 ZINC000082508395 178073887 /nfs/dbraw/zinc/07/38/87/178073887.db2.gz SXJULOPRPKPZHK-LBPRGKRZSA-N 0 3 253.773 3.942 10 0 CHAEHN CCN[C@H]1CC2(CCCCC2)Oc2ccc(OC)cc21 ZINC000082509196 178075483 /nfs/dbraw/zinc/07/54/83/178075483.db2.gz NBCNWOJDACDUGE-HNNXBMFYSA-N 0 3 275.392 3.831 10 0 CHAEHN CCOc1ccccc1[C@H](N)c1ccc(Cl)cc1 ZINC000019804080 170873416 /nfs/dbraw/zinc/87/34/16/170873416.db2.gz QIMRMWWEBQQKGC-OAHLLOKOSA-N 0 3 261.752 3.787 10 0 CHAEHN COc1cccc(OC)c1Oc1cccc(F)c1[C@H](C)N ZINC000019873431 170903433 /nfs/dbraw/zinc/90/34/33/170903433.db2.gz KWDIIEHDRYDJEJ-JTQLQIEISA-N 0 3 291.322 3.655 10 0 CHAEHN N[C@@H](c1cccc(C(F)(F)F)c1)[C@H]1Cc2ccccc2O1 ZINC000019968847 170951178 /nfs/dbraw/zinc/95/11/78/170951178.db2.gz RRUQFRZRJKDKLV-CABCVRRESA-N 0 3 293.288 3.709 10 0 CHAEHN COCCc1ccc([C@H](N)c2cccc(Cl)c2)cc1 ZINC000019970836 170953970 /nfs/dbraw/zinc/95/39/70/170953970.db2.gz WVJQOJYSTKLHCK-INIZCTEOSA-N 0 3 275.779 3.577 10 0 CHAEHN CC[C@H](N[C@H](C)c1cccnc1)c1ccc(O)cc1 ZINC000020127658 171012681 /nfs/dbraw/zinc/01/26/81/171012681.db2.gz AKUXAQAUPXEWRE-WBMJQRKESA-N 0 3 256.349 3.589 10 0 CHAEHN COc1cc(CN[C@@H](C)c2cccc(F)c2)cc(OC)c1 ZINC000020148033 171035596 /nfs/dbraw/zinc/03/55/96/171035596.db2.gz RBIMKAKNKASKES-LBPRGKRZSA-N 0 3 289.350 3.694 10 0 CHAEHN COc1cccc(-c2nc(-c3ccccc3)c(CN)s2)c1 ZINC000020184391 171047493 /nfs/dbraw/zinc/04/74/93/171047493.db2.gz UMFOBFKDOXULMT-UHFFFAOYSA-N 0 3 296.395 3.944 10 0 CHAEHN Cc1cccc([C@H](CN)N(C)Cc2cccc(Cl)c2)c1 ZINC000020225498 171088227 /nfs/dbraw/zinc/08/82/27/171088227.db2.gz LRLQGHUMVWEEGC-KRWDZBQOSA-N 0 3 288.822 3.780 10 0 CHAEHN Cc1ccc([C@H](CN)N(C)Cc2ccccc2Cl)cc1 ZINC000020225552 171088241 /nfs/dbraw/zinc/08/82/41/171088241.db2.gz PWVYJVWVPGQVMC-KRWDZBQOSA-N 0 3 288.822 3.780 10 0 CHAEHN Cc1ccccc1[C@@H](CN)N(C)Cc1cccc(Cl)c1 ZINC000020225445 171088499 /nfs/dbraw/zinc/08/84/99/171088499.db2.gz WRLTUAAVCUWMPQ-QGZVFWFLSA-N 0 3 288.822 3.780 10 0 CHAEHN Cc1ccccc1CN(C)[C@H](CN)c1ccccc1Cl ZINC000020225899 171090036 /nfs/dbraw/zinc/09/00/36/171090036.db2.gz SLVMWSWOZQQICD-QGZVFWFLSA-N 0 3 288.822 3.780 10 0 CHAEHN Cc1cccc([C@H](N)c2ccc3c(c2)CCC3)c1C ZINC000020384665 171175362 /nfs/dbraw/zinc/17/53/62/171175362.db2.gz VQTVCSANFMSYRO-GOSISDBHSA-N 0 3 251.373 3.840 10 0 CHAEHN N[C@H](Cc1nc2ccccc2s1)c1ccccc1F ZINC000020428558 171194020 /nfs/dbraw/zinc/19/40/20/171194020.db2.gz OXXKREYSFVTPCR-GFCCVEGCSA-N 0 3 272.348 3.678 10 0 CHAEHN COc1cccc(Oc2cccc(Cl)c2CN)c1 ZINC000020470212 171211436 /nfs/dbraw/zinc/21/14/36/171211436.db2.gz BVRNLPAOVRZCHQ-UHFFFAOYSA-N 0 3 263.724 3.600 10 0 CHAEHN C[C@@H]1CCCC[C@@H]1Oc1cccc(Cl)c1CN ZINC000020469973 171211454 /nfs/dbraw/zinc/21/14/54/171211454.db2.gz HVPHBZYHQYEMLQ-MFKMUULPSA-N 0 3 253.773 3.756 10 0 CHAEHN C[C@@H](Oc1cccc(Cl)c1CN)c1ccccc1 ZINC000020470008 171211791 /nfs/dbraw/zinc/21/17/91/171211791.db2.gz ITQLHADTZPKQGO-LLVKDONJSA-N 0 3 261.752 3.939 10 0 CHAEHN CC(C)[C@H](N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000020505427 171228216 /nfs/dbraw/zinc/22/82/16/171228216.db2.gz HFVZSVPYHMUHNN-VIFPVBQESA-N 0 3 295.597 3.569 10 0 CHAEHN CC(C)[C@@H](N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000020505426 171228345 /nfs/dbraw/zinc/22/83/45/171228345.db2.gz HFVZSVPYHMUHNN-SECBINFHSA-N 0 3 295.597 3.569 10 0 CHAEHN C[C@@H](N)c1cc(F)ccc1O[C@@H]1CCC[C@@H](C)C1 ZINC000020517095 171232629 /nfs/dbraw/zinc/23/26/29/171232629.db2.gz KIMRWIOFYBVALO-NQBHXWOUSA-N 0 3 251.345 3.803 10 0 CHAEHN C[C@@H](N)c1c(F)cccc1O[C@H]1CCC[C@H](C)C1 ZINC000020517090 171232819 /nfs/dbraw/zinc/23/28/19/171232819.db2.gz OBZFOIXHHPYZHD-TUAOUCFPSA-N 0 3 251.345 3.803 10 0 CHAEHN COc1ccc([C@@H](N)c2ccc(C)cc2)cc1Cl ZINC000020521932 171235618 /nfs/dbraw/zinc/23/56/18/171235618.db2.gz ONALHHNOSFQZKM-HNNXBMFYSA-N 0 3 261.752 3.705 10 0 CHAEHN Cc1ccc(O[C@H]2CCCc3ccccc3[C@@H]2N)cc1 ZINC000020547937 171245288 /nfs/dbraw/zinc/24/52/88/171245288.db2.gz BZHHXCZEVPQNKY-ROUUACIJSA-N 0 3 267.372 3.779 10 0 CHAEHN CCN(C[C@H](N)c1cc(C)ccc1OC)c1ccccc1 ZINC000020554775 171249683 /nfs/dbraw/zinc/24/96/83/171249683.db2.gz LSUBGOPFPOTUTQ-KRWDZBQOSA-N 0 3 284.403 3.530 10 0 CHAEHN Fc1cccc(N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000020595849 171264462 /nfs/dbraw/zinc/26/44/62/171264462.db2.gz CIEOGISLVKTMAL-QGZVFWFLSA-N 0 3 270.351 3.512 10 0 CHAEHN CCCOc1ccc(Cl)cc1CNCCCOCC ZINC000020928814 171280556 /nfs/dbraw/zinc/28/05/56/171280556.db2.gz QWVZJTHEKNWRGJ-UHFFFAOYSA-N 0 3 285.815 3.645 10 0 CHAEHN CCn1cc(CNCc2ccccc2OC)c2ccccc21 ZINC000020935298 171281423 /nfs/dbraw/zinc/28/14/23/171281423.db2.gz AHXQBSCVTSOMOA-UHFFFAOYSA-N 0 3 294.398 3.960 10 0 CHAEHN Cc1ccc(O[C@H](C)[C@H](N)c2ccc(C)cc2)cc1 ZINC000021014666 171289326 /nfs/dbraw/zinc/28/93/26/171289326.db2.gz KKPOKZMJHXQPTQ-PBHICJAKSA-N 0 3 255.361 3.771 10 0 CHAEHN Cc1cccc(O[C@@H](C)[C@@H](N)c2ccccc2)c1C ZINC000021057038 171296072 /nfs/dbraw/zinc/29/60/72/171296072.db2.gz DCUAHRWOTCUZKU-WMLDXEAASA-N 0 3 255.361 3.771 10 0 CHAEHN N[C@H]1c2ccccc2C[C@H]1Oc1ccc2ccccc2c1 ZINC000021504338 171307294 /nfs/dbraw/zinc/30/72/94/171307294.db2.gz MYOGJYIDFZJMAS-MOPGFXCFSA-N 0 3 275.351 3.843 10 0 CHAEHN CCc1cccc(O[C@@H](C)[C@H](N)c2ccccc2)c1 ZINC000021505306 171307676 /nfs/dbraw/zinc/30/76/76/171307676.db2.gz CJDNCDVQHIGPQM-GUYCJALGSA-N 0 3 255.361 3.716 10 0 CHAEHN Cc1ccc([C@@H](N)COc2cc(C)cc(C)c2)cc1 ZINC000021506385 171308225 /nfs/dbraw/zinc/30/82/25/171308225.db2.gz LITSMIDYRJKVTO-KRWDZBQOSA-N 0 3 255.361 3.691 10 0 CHAEHN COc1ccc(O[C@H](C(C)C)[C@@H](N)c2ccccc2)cc1 ZINC000021515765 171312389 /nfs/dbraw/zinc/31/23/89/171312389.db2.gz LNTAFYSXDCUKCR-ZWKOTPCHSA-N 0 3 285.387 3.799 10 0 CHAEHN COc1ccc(O[C@@H](C(C)C)[C@@H](N)c2ccccc2)cc1 ZINC000021515763 171312639 /nfs/dbraw/zinc/31/26/39/171312639.db2.gz LNTAFYSXDCUKCR-ROUUACIJSA-N 0 3 285.387 3.799 10 0 CHAEHN CC[C@H](Oc1cccc(C)c1)[C@@H](N)c1ccccc1 ZINC000021518656 171314855 /nfs/dbraw/zinc/31/48/55/171314855.db2.gz NFTGADABOBMIAZ-IRXDYDNUSA-N 0 3 255.361 3.852 10 0 CHAEHN Cc1ccc(OC[C@@H](N)c2ccccc2C)cc1C ZINC000021808207 171328180 /nfs/dbraw/zinc/32/81/80/171328180.db2.gz VTTSAJYQCNCXFD-QGZVFWFLSA-N 0 3 255.361 3.691 10 0 CHAEHN CCc1ccc(OC[C@H](N)c2cc(C)ccc2OC)cc1 ZINC000021817122 171332796 /nfs/dbraw/zinc/33/27/96/171332796.db2.gz MDIPTAIOCATRSP-KRWDZBQOSA-N 0 3 285.387 3.645 10 0 CHAEHN C[C@H](NC1=NC[C@@H](C)S1)C12CC3CC(CC(C3)C1)C2 ZINC000035294342 172106069 /nfs/dbraw/zinc/10/60/69/172106069.db2.gz IQLZPKMURIDLPX-JDDJGOSBSA-N 0 3 278.465 3.672 10 0 CHAEHN C[C@H](N)c1ccc2ccccc2c1OCc1ccccn1 ZINC000035427335 172194576 /nfs/dbraw/zinc/19/45/76/172194576.db2.gz CNWROJHPSMRZEZ-ZDUSSCGKSA-N 0 3 278.355 3.834 10 0 CHAEHN CN[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000035460014 172209241 /nfs/dbraw/zinc/20/92/41/172209241.db2.gz GYWFYFRFSZKOIM-MRXNPFEDSA-N 0 3 257.402 3.936 10 0 CHAEHN CCc1ccc([C@@H](NC)c2ccccc2OC)s1 ZINC000035461033 172210306 /nfs/dbraw/zinc/21/03/06/172210306.db2.gz YNSOFOJYMYCEAC-HNNXBMFYSA-N 0 3 261.390 3.628 10 0 CHAEHN CN[C@@H](c1ccc(Br)s1)c1ccccc1 ZINC000035464849 172212148 /nfs/dbraw/zinc/21/21/48/172212148.db2.gz OTPTYVOXIFPENU-GFCCVEGCSA-N 0 3 282.206 3.819 10 0 CHAEHN CN[C@@H](c1cccs1)c1cc(Cl)ccc1OC ZINC000035488044 172222726 /nfs/dbraw/zinc/22/27/26/172222726.db2.gz QYRFFIUSLMZUNZ-CYBMUJFWSA-N 0 3 267.781 3.719 10 0 CHAEHN CN[C@@H](c1cc(C)oc1C)c1ccc2c(c1)CCC2 ZINC000035496800 172230374 /nfs/dbraw/zinc/23/03/74/172230374.db2.gz AIZBTCBZOFTEOB-QGZVFWFLSA-N 0 3 255.361 3.694 10 0 CHAEHN CN[C@@H](c1ccc(Cl)s1)c1cccc(OC)c1 ZINC000035498328 172232259 /nfs/dbraw/zinc/23/22/59/172232259.db2.gz PAGWUZZATMXVKW-CYBMUJFWSA-N 0 3 267.781 3.719 10 0 CHAEHN CC[C@H](C)[C@@H](NC)c1cc(OC)c(OC)cc1Cl ZINC000035501253 172235816 /nfs/dbraw/zinc/23/58/16/172235816.db2.gz GHLWKVMFBNNIIF-LKFCYVNXSA-N 0 3 271.788 3.664 10 0 CHAEHN CCN[C@@H](c1ccsc1)c1ccc(OCC)cc1 ZINC000035541194 172248797 /nfs/dbraw/zinc/24/87/97/172248797.db2.gz HMYLDTRDMWFLTP-OAHLLOKOSA-N 0 3 261.390 3.846 10 0 CHAEHN CCN[C@@H](c1ccoc1C)c1ccc(OC)cc1C ZINC000035542996 172251126 /nfs/dbraw/zinc/25/11/26/172251126.db2.gz JXCDUXMMDBYIMA-MRXNPFEDSA-N 0 3 259.349 3.604 10 0 CHAEHN CCN[C@@H](c1cccs1)c1ccc(OC)cc1C ZINC000035543000 172251227 /nfs/dbraw/zinc/25/12/27/172251227.db2.gz GITGZZKBAXHNQJ-OAHLLOKOSA-N 0 3 261.390 3.764 10 0 CHAEHN CCN[C@@H](c1ccsc1)c1ccc(OC)c(C)c1 ZINC000035571322 172267166 /nfs/dbraw/zinc/26/71/66/172267166.db2.gz GWNGHNRJHIKLOT-OAHLLOKOSA-N 0 3 261.390 3.764 10 0 CHAEHN CCCN[C@H](c1c(F)cc(F)cc1F)C1CCC1 ZINC000035580944 172276339 /nfs/dbraw/zinc/27/63/39/172276339.db2.gz HFLSSOZFWYAMIP-AWEZNQCLSA-N 0 3 257.299 3.945 10 0 CHAEHN CCN[C@@H](C)c1cc(C)ccc1OCC(F)(F)F ZINC000035629760 172311119 /nfs/dbraw/zinc/31/11/19/172311119.db2.gz DMIHVIBCJGIXTN-JTQLQIEISA-N 0 3 261.287 3.607 10 0 CHAEHN Cc1ccc(C(C)(C)C)c2c1[C@@H](NC1CC1)CCO2 ZINC000035653199 172329574 /nfs/dbraw/zinc/32/95/74/172329574.db2.gz HPAMWPTUZCCIQK-AWEZNQCLSA-N 0 3 259.393 3.868 10 0 CHAEHN CCCN[C@H]1CCOc2c(Br)cc(C)cc21 ZINC000035653810 172330568 /nfs/dbraw/zinc/33/05/68/172330568.db2.gz NJIAWEGFNWVHRP-LBPRGKRZSA-N 0 3 284.197 3.581 10 0 CHAEHN CCNCc1cc(Cl)cc(Cl)c1OC(C)C ZINC000035662064 172340683 /nfs/dbraw/zinc/34/06/83/172340683.db2.gz RZCILJOQXNWYCA-UHFFFAOYSA-N 0 3 262.180 3.890 10 0 CHAEHN NCc1ccnc(Oc2cccc(Cl)c2Cl)c1 ZINC000035719860 172373670 /nfs/dbraw/zinc/37/36/70/172373670.db2.gz YSQVQRRDALRIKY-UHFFFAOYSA-N 0 3 269.131 3.639 10 0 CHAEHN C[C@H](N)c1c(F)cccc1N(C)Cc1ccsc1 ZINC000035719361 172373682 /nfs/dbraw/zinc/37/36/82/172373682.db2.gz SPIFPLHHIKGSDO-JTQLQIEISA-N 0 3 264.369 3.543 10 0 CHAEHN NCc1cccnc1Oc1cccc(Cl)c1Cl ZINC000035719858 172374152 /nfs/dbraw/zinc/37/41/52/172374152.db2.gz AJAWQCPILANJDB-UHFFFAOYSA-N 0 3 269.131 3.639 10 0 CHAEHN CCCCCCN[C@H]1CCOc2ccc(OC)cc21 ZINC000037232637 173050939 /nfs/dbraw/zinc/05/09/39/173050939.db2.gz YTPIHCJNQAIHPC-HNNXBMFYSA-N 0 3 263.381 3.689 10 0 CHAEHN Cc1ccc(C)c(C(=O)[C@@H](C)N(C)[C@@H](C)C(C)C)c1 ZINC000037339079 173140724 /nfs/dbraw/zinc/14/07/24/173140724.db2.gz DKPAIKZVSORDKK-LSDHHAIUSA-N 0 3 261.409 3.851 10 0 CHAEHN CSCC[C@@H](N)c1nc2cc(F)ccc2n1C(C)C ZINC000037439719 173209124 /nfs/dbraw/zinc/20/91/24/173209124.db2.gz MRDLFULATUUHMW-LLVKDONJSA-N 0 3 281.400 3.509 10 0 CHAEHN CC(C)C[C@H](N)c1nc2cc(F)ccc2n1C(C)C ZINC000037439663 173209242 /nfs/dbraw/zinc/20/92/42/173209242.db2.gz PZXFAZSPQLSSPM-LBPRGKRZSA-N 0 3 263.360 3.802 10 0 CHAEHN CC[C@@H](C)[C@@H](N)c1nc2cc(C)ccc2n1C(C)C ZINC000037438572 173209720 /nfs/dbraw/zinc/20/97/20/173209720.db2.gz WZJJLDDGLAPIGJ-IUODEOHRSA-N 0 3 259.397 3.972 10 0 CHAEHN CCN[C@H](C)c1cc(F)ccc1N1CCC[C@@H]1CC ZINC000037914123 173847721 /nfs/dbraw/zinc/84/77/21/173847721.db2.gz PJKUCVRHURLEBF-OCCSQVGLSA-N 0 3 264.388 3.875 10 0 CHAEHN CNCc1ccc(-c2cc(Cl)ccc2OC)cc1F ZINC000038071052 174081796 /nfs/dbraw/zinc/08/17/96/174081796.db2.gz OTSNJKGXDWMFLC-UHFFFAOYSA-N 0 3 279.742 3.874 10 0 CHAEHN COc1ccc(-c2c(C)cc(C)cc2C)cc1CN ZINC000038072285 174082651 /nfs/dbraw/zinc/08/26/51/174082651.db2.gz YZRPAIVSOUXJHC-UHFFFAOYSA-N 0 3 255.361 3.746 10 0 CHAEHN COCCNc1cc(C)nc2cc(C(F)(F)F)ccc21 ZINC000040570951 174338376 /nfs/dbraw/zinc/33/83/76/174338376.db2.gz CPRCNXSZDXIIMA-UHFFFAOYSA-N 0 3 284.281 3.620 10 0 CHAEHN CCNCc1c(Cl)cccc1N(CC)CC(F)(F)F ZINC000042777297 174874422 /nfs/dbraw/zinc/87/44/22/174874422.db2.gz YTCWVGHRUNNSQU-UHFFFAOYSA-N 0 3 294.748 3.838 10 0 CHAEHN CCCC[C@@H](CC)Cn1nc(C)c(CNCC)c1C ZINC000043456078 175050229 /nfs/dbraw/zinc/05/02/29/175050229.db2.gz FJTUBIOSBCWYAV-OAHLLOKOSA-N 0 3 265.445 3.826 10 0 CHAEHN CC[C@H](C)Oc1ccc2c(c1)OC(C)(C)C[C@H]2NC ZINC000043460241 175051165 /nfs/dbraw/zinc/05/11/65/175051165.db2.gz GBNYNMCNORNGSX-SMDDNHRTSA-N 0 3 263.381 3.686 10 0 CHAEHN COc1cc2c(cc1Cl)CCN[C@H]2Cc1ccccc1 ZINC000045283379 175353750 /nfs/dbraw/zinc/35/37/50/175353750.db2.gz JWQPRNMHWLPRTR-INIZCTEOSA-N 0 3 287.790 3.778 10 0 CHAEHN CC(C)C[C@@H]1NCCc2c(F)ccc(Br)c21 ZINC000070821354 176007634 /nfs/dbraw/zinc/00/76/34/176007634.db2.gz NIZSBMRXCCQXRJ-LBPRGKRZSA-N 0 3 286.188 3.821 10 0 CHAEHN CN[C@@H](C)c1csc(-c2ccccc2Cl)n1 ZINC000070841145 176008280 /nfs/dbraw/zinc/00/82/80/176008280.db2.gz KITUBGWQCNERGH-QMMMGPOBSA-N 0 3 252.770 3.744 10 0 CHAEHN C[C@@H](N)c1csc(-c2ccc(Br)cc2)n1 ZINC000070840413 176008290 /nfs/dbraw/zinc/00/82/90/176008290.db2.gz APMRZTMHLOKPBZ-SSDOTTSWSA-N 0 3 283.194 3.592 10 0 CHAEHN CN[C@H](C)c1csc(-c2ccccc2Cl)n1 ZINC000070841150 176008510 /nfs/dbraw/zinc/00/85/10/176008510.db2.gz KITUBGWQCNERGH-MRVPVSSYSA-N 0 3 252.770 3.744 10 0 CHAEHN c1ccc(-c2ccc([C@H]3CSCCN3)cc2)cc1 ZINC000071203262 176078785 /nfs/dbraw/zinc/07/87/85/176078785.db2.gz ORIPEASRUZNUSE-MRXNPFEDSA-N 0 3 255.386 3.731 10 0 CHAEHN Cc1cc(C2CCCC2)nc(C2(N)CCCCC2)n1 ZINC000071398256 176151904 /nfs/dbraw/zinc/15/19/04/176151904.db2.gz YWYFGDNZHKUPPI-UHFFFAOYSA-N 0 3 259.397 3.561 10 0 CHAEHN c1ccc2c(c1)CCc1ccccc1C2N[C@@H]1CCCOC1 ZINC000180491779 260103635 /nfs/dbraw/zinc/10/36/35/260103635.db2.gz DBFGMNVATROZDF-QGZVFWFLSA-N 0 3 293.410 3.643 10 0 CHAEHN CCn1cccc1CNCc1cccc(C(F)(F)F)c1 ZINC000091022305 260265171 /nfs/dbraw/zinc/26/51/71/260265171.db2.gz VIQVMIPRTAONSW-UHFFFAOYSA-N 0 3 282.309 3.817 10 0 CHAEHN COC[C@H](N[C@H]1CC(C)(C)Oc2ccccc21)C(C)C ZINC000128973401 260380420 /nfs/dbraw/zinc/38/04/20/260380420.db2.gz LUQPBNAIWDRGRK-GJZGRUSLSA-N 0 3 277.408 3.549 10 0 CHAEHN C[C@@H](C(=O)Nc1ccc(Cl)cc1)[C@H](N)c1ccccc1 ZINC000130060689 260392172 /nfs/dbraw/zinc/39/21/72/260392172.db2.gz KASDETJVKDTFKL-ABAIWWIYSA-N 0 3 288.778 3.615 10 0 CHAEHN CCCC[C@H](CC)CNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000130312011 260395517 /nfs/dbraw/zinc/39/55/17/260395517.db2.gz NMQAPUWDZLOTNK-VYDXJSESSA-N 0 3 290.451 3.655 10 0 CHAEHN CC(C)N(Cc1nc(-c2ccoc2)no1)C1CCCCC1 ZINC000105608976 261312673 /nfs/dbraw/zinc/31/26/73/261312673.db2.gz NXIBLGUTJFWMOX-UHFFFAOYSA-N 0 3 289.379 3.873 10 0 CHAEHN C[C@H](N[C@H]1CCCC[C@@H]1CO)c1ccccc1Cl ZINC000177359074 261350379 /nfs/dbraw/zinc/35/03/79/261350379.db2.gz LYKYDQQBPHHLSU-ZOWXZIJZSA-N 0 3 267.800 3.542 10 0 CHAEHN C[C@H](N[C@@H]1c2ccccc2CCC1(C)C)c1cnn(C)c1 ZINC000183092528 261477420 /nfs/dbraw/zinc/47/74/20/261477420.db2.gz ISLHYKLEOLBKCS-SUMWQHHRSA-N 0 3 283.419 3.784 10 0 CHAEHN Cn1cc([C@H]2CCCN2Cc2ccc(C(F)F)cc2)cn1 ZINC000183936912 262000391 /nfs/dbraw/zinc/00/03/91/262000391.db2.gz BOEPPFIMVYKCJJ-OAHLLOKOSA-N 0 3 291.345 3.695 10 0 CHAEHN COc1ccccc1[C@H](C)N[C@H](CN(C)C)c1ccccc1 ZINC000120421341 262194789 /nfs/dbraw/zinc/19/47/89/262194789.db2.gz ONIOWKCRVIAHAW-MAUKXSAKSA-N 0 3 298.430 3.649 10 0 CHAEHN COc1cccc([C@H](C)N[C@H](CN(C)C)c2ccccc2)c1 ZINC000120423147 262194818 /nfs/dbraw/zinc/19/48/18/262194818.db2.gz BJYIBGHREVFTAS-HNAYVOBHSA-N 0 3 298.430 3.649 10 0 CHAEHN CC(C)[C@H](C)N[C@@H](C)c1ncc(Br)cc1F ZINC000186937466 262330824 /nfs/dbraw/zinc/33/08/24/262330824.db2.gz MFUPIIXOQKVVOT-IUCAKERBSA-N 0 3 289.192 3.678 10 0 CHAEHN c1n[nH]cc1[C@@H]1CCCCN1CCSc1ccccc1 ZINC000117883787 267223850 /nfs/dbraw/zinc/22/38/50/267223850.db2.gz AHYYBXBLGXSPJQ-INIZCTEOSA-N 0 3 287.432 3.729 10 0 CHAEHN C[C@@H](N[C@@H]1CCCCC[C@H]1O)c1ccccc1Cl ZINC000148754059 326998144 /nfs/dbraw/zinc/99/81/44/326998144.db2.gz QKHACGMJYRFGAE-KCPJHIHWSA-N 0 3 267.800 3.684 10 0 CHAEHN CCC[C@@H]1C[C@@H]1N[C@H](C)c1cc(OC)ccc1OC ZINC000300414413 332814710 /nfs/dbraw/zinc/81/47/10/332814710.db2.gz LJXWVKPDUXSXNG-JMSVASOKSA-N 0 3 263.381 3.543 10 0 CHAEHN COCc1cccc(CN2CCC[C@@H]2c2ccco2)c1 ZINC000179219373 329206190 /nfs/dbraw/zinc/20/61/90/329206190.db2.gz DJOREAQRQQKVAX-MRXNPFEDSA-N 0 3 271.360 3.763 10 0 CHAEHN CC(C)[C@@H](C)N1Cc2cccc(NCCCCCO)c2C1 ZINC000179262327 329206933 /nfs/dbraw/zinc/20/69/33/329206933.db2.gz NNNJLCBPFWEPCL-OAHLLOKOSA-N 0 3 290.451 3.621 10 0 CHAEHN C[C@@H](NCc1ccc(Oc2ccccc2)o1)[C@@H]1CCCO1 ZINC000180791857 329223165 /nfs/dbraw/zinc/22/31/65/329223165.db2.gz PBDBXPVVIIEXJP-CJNGLKHVSA-N 0 3 287.359 3.729 10 0 CHAEHN Cc1ccc(CN[C@H]2CCOc3c(C)cccc32)s1 ZINC000188952685 329376087 /nfs/dbraw/zinc/37/60/87/329376087.db2.gz ZHJQEMMCOJGETI-HNNXBMFYSA-N 0 3 273.401 3.978 10 0 CHAEHN Cc1nc([C@@H]2CCCN2CC2(O)CCC(C)CC2)cs1 ZINC000189752635 329387845 /nfs/dbraw/zinc/38/78/45/329387845.db2.gz YTZBFERSEUFMBB-NRAUKZCXSA-N 0 3 294.464 3.530 10 0 CHAEHN CCN1CCC[C@@H](N[C@@H](C)c2sc(C(C)C)nc2C)C1 ZINC000133008432 329650305 /nfs/dbraw/zinc/65/03/05/329650305.db2.gz YAJGUPLJKGGFJJ-GXTWGEPZSA-N 0 3 295.496 3.710 10 0 CHAEHN CC[C@H](C)[C@@H](C)N[C@H](c1nc(C2CC2)no1)C(C)C ZINC000246321713 329830839 /nfs/dbraw/zinc/83/08/39/329830839.db2.gz FIZNYGDWIBAFQG-LOWVWBTDSA-N 0 3 265.401 3.668 10 0 CHAEHN CCc1ccc([C@H](C)N[C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000247140165 329876657 /nfs/dbraw/zinc/87/66/57/329876657.db2.gz QUKNLSQTSWLXEI-MJXNMMHHSA-N 0 3 281.399 3.558 10 0 CHAEHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cc(F)c(F)c(F)c1 ZINC000248142483 329887781 /nfs/dbraw/zinc/88/77/81/329887781.db2.gz PUCNXLQYCLZXQK-XTBZUSCZSA-N 0 3 299.336 3.568 10 0 CHAEHN C[C@H](N[C@@H]1CCO[C@@H](C2CC2)C1)c1cc(F)ccc1F ZINC000248853833 329900766 /nfs/dbraw/zinc/90/07/66/329900766.db2.gz PCVOLPPWRCANDD-OWRWGESLSA-N 0 3 281.346 3.573 10 0 CHAEHN C[C@@H]1C[C@@H]1N[C@H]1CCSc2c(Cl)cccc21 ZINC000252716158 329945572 /nfs/dbraw/zinc/94/55/72/329945572.db2.gz XSUAYCMUAWSDDW-ZHAHWJHGSA-N 0 3 253.798 3.875 10 0 CHAEHN C[C@@H](NC1C2CC3CC(C2)CC1C3)c1nccs1 ZINC000080266073 330116020 /nfs/dbraw/zinc/11/60/20/330116020.db2.gz AMGYXXRRWGTLTM-UIBFTYAWSA-N 0 3 262.422 3.618 10 0 CHAEHN C[C@H](NC[C@H]1CCCCN1Cc1ccccc1)c1ccco1 ZINC000379615234 330141681 /nfs/dbraw/zinc/14/16/81/330141681.db2.gz AKTAEYQPGUCCGF-FUHWJXTLSA-N 0 3 298.430 3.985 10 0 CHAEHN CCc1ccc([C@@H](C)NCC(=O)Nc2ccccc2C)cc1 ZINC000120431093 330388770 /nfs/dbraw/zinc/38/87/70/330388770.db2.gz MQJZKZTXSLNENJ-OAHLLOKOSA-N 0 3 296.414 3.847 10 0 CHAEHN CCN(CC)C(=O)C[C@@H](C)N[C@@H](C)c1cccc(Cl)c1 ZINC000121381693 330399777 /nfs/dbraw/zinc/39/97/77/330399777.db2.gz RDTNBEUCIGWYAO-OLZOCXBDSA-N 0 3 296.842 3.638 10 0 CHAEHN Cc1ccc2c(c1)[C@H](N[C@@H](CN(C)C)c1ccccc1)CC2 ZINC000163848083 331134656 /nfs/dbraw/zinc/13/46/56/331134656.db2.gz XNHDAEWMODBXKS-UXHICEINSA-N 0 3 294.442 3.875 10 0 CHAEHN C[C@H]1CC(CNCc2c(F)cccc2Cl)C[C@H](C)O1 ZINC000466408750 331395490 /nfs/dbraw/zinc/39/54/90/331395490.db2.gz IFRLCBXWQQDKIM-QWRGUYRKSA-N 0 3 285.790 3.772 10 0 CHAEHN C[C@H]1CC(CNCc2cccc(Cl)c2F)C[C@H](C)O1 ZINC000466408403 331395567 /nfs/dbraw/zinc/39/55/67/331395567.db2.gz FWUPQSZOHONGNL-QWRGUYRKSA-N 0 3 285.790 3.772 10 0 CHAEHN COc1ccccc1[C@H](C)N[C@@H](C)COCc1ccccc1 ZINC000178064065 333067468 /nfs/dbraw/zinc/06/74/68/333067468.db2.gz NJTBAPWOCFPDHZ-HOTGVXAUSA-N 0 3 299.414 3.951 10 0 CHAEHN C(=C\c1ccccc1)\CN[C@H]1CCOc2ccccc21 ZINC000220692075 333168380 /nfs/dbraw/zinc/16/83/80/333168380.db2.gz LBXYAVKWNXXNPN-SKHCZCESSA-N 0 3 265.356 3.813 10 0 CHAEHN CC(C)C[C@H](CN(C)C)N[C@H](C)c1cccc(F)c1F ZINC000224984061 333228293 /nfs/dbraw/zinc/22/82/93/333228293.db2.gz GCEKWJGGOLWWGW-CHWSQXEVSA-N 0 3 284.394 3.592 10 0 CHAEHN Cc1ccccc1[C@H](N[C@H](C)C[C@@H](C)O)c1ccccc1 ZINC000228066012 333294209 /nfs/dbraw/zinc/29/42/09/333294209.db2.gz JNQYAMPFNFZQSK-GPMSIDNRSA-N 0 3 283.415 3.833 10 0 CHAEHN CCc1c2ccccc2oc1[C@H](C)N[C@H]1CCCC[C@H]1O ZINC000250127598 333302757 /nfs/dbraw/zinc/30/27/57/333302757.db2.gz DUQYTGMESSDQFC-VBNZEHGJSA-N 0 3 287.403 3.949 10 0 CHAEHN COc1ccc2c(c1)C[C@H](N[C@H](C)c1ccc(C)o1)CC2 ZINC000129484950 333770253 /nfs/dbraw/zinc/77/02/53/333770253.db2.gz JFFYQBNJGYBGNX-CZUORRHYSA-N 0 3 285.387 3.805 10 0 CHAEHN CCN1CCC[C@H](N[C@@H]2C[C@H](C)Sc3sccc32)C1 ZINC000130411101 333841538 /nfs/dbraw/zinc/84/15/38/333841538.db2.gz WNVKEDJXAZCVBA-SGMGOOAPSA-N 0 3 296.505 3.747 10 0 CHAEHN CC(C)c1ccc([C@H](C)NC(=O)[C@@]2(C)CCCCN2)cc1 ZINC000136141745 334148060 /nfs/dbraw/zinc/14/80/60/334148060.db2.gz CBSLYEHTGGNMHY-KBXCAEBGSA-N 0 3 288.435 3.519 10 0 CHAEHN Cc1cc(Cl)ccc1CN1CCC(c2cc[nH]n2)CC1 ZINC000136182075 334149159 /nfs/dbraw/zinc/14/91/59/334149159.db2.gz WTTUUIBCFGSJIY-UHFFFAOYSA-N 0 3 289.810 3.751 10 0 CHAEHN C[C@H](c1ccc(F)c(F)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247118907 334275897 /nfs/dbraw/zinc/27/58/97/334275897.db2.gz AIUBQZJUZUBKTQ-MRRJBJDNSA-N 0 3 295.373 3.653 10 0 CHAEHN CCC[C@H](C)CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000252733970 334388045 /nfs/dbraw/zinc/38/80/45/334388045.db2.gz XQLCAMGLBHVFHJ-GHJWDPDVSA-N 0 3 283.362 3.509 10 0 CHAEHN C[C@H]1C[C@@H](NC[C@@H](O)C(C)(C)C)c2ccsc2S1 ZINC000268869350 334717680 /nfs/dbraw/zinc/71/76/80/334717680.db2.gz IISWCORYOCJJDC-MVWJERBFSA-N 0 3 285.478 3.670 10 0 CHAEHN Cc1cccc([C@@H](C)NCc2cnn(C(C)(C)C)c2)c1 ZINC000157199432 334763183 /nfs/dbraw/zinc/76/31/83/334763183.db2.gz WEBBEEWHLXUNQA-CQSZACIVSA-N 0 3 271.408 3.797 10 0 CHAEHN CCn1c(C)nnc1CN[C@@H](CCC(C)C)C(C)(C)C ZINC000179908176 335531229 /nfs/dbraw/zinc/53/12/29/335531229.db2.gz GEWRIHFFQUFJSF-AWEZNQCLSA-N 0 3 280.460 3.547 10 0 CHAEHN Cc1ccc(CN2CCC[C@H]2Cn2ccnc2)cc1Cl ZINC000194642081 336035155 /nfs/dbraw/zinc/03/51/55/336035155.db2.gz KLJFDCJFTPPJPW-HNNXBMFYSA-N 0 3 289.810 3.510 10 0 CHAEHN CCn1nc(C)c([C@H](C)N[C@H]2CC23CCCC3)c1C ZINC000387162303 336186868 /nfs/dbraw/zinc/18/68/68/336186868.db2.gz RIVAYRZPHKIBOE-FZMZJTMJSA-N 0 3 261.413 3.503 10 0 CHAEHN CC(C)CCCOCc1csc(CNCC(C)C)n1 ZINC000052630159 519642922 /nfs/dbraw/zinc/64/29/22/519642922.db2.gz FOLGDORQQOEVHT-UHFFFAOYSA-N 0 3 284.469 3.842 10 0 CHAEHN CCCn1c(C(C)(C)NC)nc2cccc(Cl)c21 ZINC000061149855 521620547 /nfs/dbraw/zinc/62/05/47/521620547.db2.gz PTGKSLKCKCQPAC-UHFFFAOYSA-N 0 3 265.788 3.554 10 0 CHAEHN CC(C)CCCOCc1occc1CNC(C)C ZINC000052630219 519642761 /nfs/dbraw/zinc/64/27/61/519642761.db2.gz BGOFBRLFUFUDDU-UHFFFAOYSA-N 0 3 253.386 3.730 10 0 CHAEHN CC(C)CCN(C)c1nc2c(s1)[C@@H](N)CC(C)(C)C2 ZINC000054898483 519651264 /nfs/dbraw/zinc/65/12/64/519651264.db2.gz HOWSIFFUAGHUJO-NSHDSACASA-N 0 3 281.469 3.598 10 0 CHAEHN CC(C)CNCc1ccoc1COc1ccccc1 ZINC000052668180 519748201 /nfs/dbraw/zinc/74/82/01/519748201.db2.gz JNBSVLSINUHIOX-UHFFFAOYSA-N 0 3 259.349 3.604 10 0 CHAEHN CC(C)[C@@H](CN(C)C)NCc1c(Cl)cccc1Cl ZINC000049196611 519793627 /nfs/dbraw/zinc/79/36/27/519793627.db2.gz MLXYFJXTGGFPLR-CQSZACIVSA-N 0 3 289.250 3.669 10 0 CHAEHN CCCNCc1cc(C)nc(-c2cccc(Cl)c2)n1 ZINC000054831300 519945615 /nfs/dbraw/zinc/94/56/15/519945615.db2.gz IJQJVEYBFMEMBP-UHFFFAOYSA-N 0 3 275.783 3.605 10 0 CHAEHN CCNCc1cc(F)ccc1N1CCC[C@@H](C)[C@@H]1C ZINC000050566062 519993348 /nfs/dbraw/zinc/99/33/48/519993348.db2.gz KJFZBOQUUPCXDM-OLZOCXBDSA-N 0 3 264.388 3.560 10 0 CHAEHN CCCN[C@@H](c1ccccn1)c1cc(F)ccc1C ZINC000055223010 520017997 /nfs/dbraw/zinc/01/79/97/520017997.db2.gz ONPXEZNFDHCVTF-MRXNPFEDSA-N 0 3 258.340 3.618 10 0 CHAEHN CCN[C@@H](C)c1cnc(-c2ccccc2F)s1 ZINC000054159666 520079308 /nfs/dbraw/zinc/07/93/08/520079308.db2.gz QXXTVVJOXFVMDG-VIFPVBQESA-N 0 3 250.342 3.620 10 0 CHAEHN CCCCCCOc1cccc(CNC(C)C)n1 ZINC000051541952 520108758 /nfs/dbraw/zinc/10/87/58/520108758.db2.gz GPQZIXOQKMDVNQ-UHFFFAOYSA-N 0 3 250.386 3.539 10 0 CHAEHN CCN[C@@H](c1ccc(F)cc1C)c1ncccc1C ZINC000055227301 520110207 /nfs/dbraw/zinc/11/02/07/520110207.db2.gz DDADISBUCPRTBD-INIZCTEOSA-N 0 3 258.340 3.536 10 0 CHAEHN CCCCCN(c1ncc([C@H](C)NC)s1)C(C)C ZINC000054908222 520176964 /nfs/dbraw/zinc/17/69/64/520176964.db2.gz RESPARUFERIRCP-LBPRGKRZSA-N 0 3 269.458 3.829 10 0 CHAEHN CCN[C@H](Cc1ccc(F)cc1Cl)c1ccco1 ZINC000054456229 520202843 /nfs/dbraw/zinc/20/28/43/520202843.db2.gz LDOYSABIRIALJQ-CYBMUJFWSA-N 0 3 267.731 3.965 10 0 CHAEHN CC1(C)CCc2ccccc2[C@H]1NCc1cccnc1 ZINC000126156737 520417083 /nfs/dbraw/zinc/41/70/83/520417083.db2.gz XXYXCWSXFGSRRI-QGZVFWFLSA-N 0 3 266.388 3.885 10 0 CHAEHN CCCCN(CCCC)c1ncc(CN)cc1Cl ZINC000051396572 520497731 /nfs/dbraw/zinc/49/77/31/520497731.db2.gz KECAIYTWYSJIRO-UHFFFAOYSA-N 0 3 269.820 3.600 10 0 CHAEHN CCCCN(c1nc(CC)c(CN)s1)[C@H](C)CC ZINC000055002474 520552172 /nfs/dbraw/zinc/55/21/72/520552172.db2.gz XXZPFIQOJRBJKP-LLVKDONJSA-N 0 3 269.458 3.569 10 0 CHAEHN CCOc1cc(CN[C@@H](C)c2cccs2)ccc1O ZINC000020148183 520728692 /nfs/dbraw/zinc/72/86/92/520728692.db2.gz UTSJNARINOLQKA-NSHDSACASA-N 0 3 277.389 3.703 10 0 CHAEHN CCc1ccc(-c2nc(C)c(CNC3CC3)s2)cc1 ZINC000052330916 523859087 /nfs/dbraw/zinc/85/90/87/523859087.db2.gz HJEVWSWRPGBKOL-UHFFFAOYSA-N 0 3 272.417 3.933 10 0 CHAEHN COc1ccccc1[C@@H](N)C(C)(C)c1ccccc1 ZINC000062773146 524735929 /nfs/dbraw/zinc/73/59/29/524735929.db2.gz BXSRHSOMOODHNV-MRXNPFEDSA-N 0 3 255.361 3.673 10 0 CHAEHN C[C@H](N)c1c(F)cccc1OCCc1cccs1 ZINC000049585768 524863341 /nfs/dbraw/zinc/86/33/41/524863341.db2.gz KXKPRBVNOLKIOC-JTQLQIEISA-N 0 3 265.353 3.528 10 0 CHAEHN Cc1ccccc1[C@@H](N[C@@H](C)CCCO)c1ccccc1 ZINC000094941975 525376132 /nfs/dbraw/zinc/37/61/32/525376132.db2.gz NIGGRYPVEXZAQR-LPHOPBHVSA-N 0 3 283.415 3.835 10 0 CHAEHN Cc1cccnc1[C@H](N)Cc1ccc(Cl)c(Cl)c1 ZINC000060700602 525550933 /nfs/dbraw/zinc/55/09/33/525550933.db2.gz CFRBBDMVYVUHHS-CYBMUJFWSA-N 0 3 281.186 3.939 10 0 CHAEHN C[C@@H]1NC2(CCCCC2)CO[C@H]1c1cccs1 ZINC000053073669 525550886 /nfs/dbraw/zinc/55/08/86/525550886.db2.gz YKESICURMYIMOS-WCQYABFASA-N 0 3 251.395 3.500 10 0 CHAEHN C[C@@H](N[C@@H](C)c1ccncc1)c1cccc(-n2ccnc2)c1 ZINC000156721243 525617388 /nfs/dbraw/zinc/61/73/88/525617388.db2.gz SHHPBHCSTPTKMG-LSDHHAIUSA-N 0 3 292.386 3.679 10 0 CHAEHN C[C@@](N)(c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000055238391 525751681 /nfs/dbraw/zinc/75/16/81/525751681.db2.gz CQMDCHNOAYMWDC-CQSZACIVSA-N 0 3 267.706 3.840 10 0 CHAEHN C[C@@H](c1nc(-c2cccs2)no1)[C@@H](N)c1ccccc1 ZINC000157948029 526162629 /nfs/dbraw/zinc/16/26/29/526162629.db2.gz DQJCONKCPQHIAK-ZWNOBZJWSA-N 0 3 285.372 3.602 10 0 CHAEHN C[C@H]1CCCC[C@H]1N(C)c1ccc(Cl)cc1CN ZINC000052857504 526261274 /nfs/dbraw/zinc/26/12/74/526261274.db2.gz PKVAGWVPKQPNHI-SMDDNHRTSA-N 0 3 266.816 3.814 10 0 CHAEHN c1csc([C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000157015426 526586408 /nfs/dbraw/zinc/58/64/08/526586408.db2.gz YKOVUUYUGVCSBR-CQSZACIVSA-N 0 3 258.390 3.523 10 0 CHAEHN NCc1c(Cl)cccc1Sc1nc2ccccc2[nH]1 ZINC000052905368 527243560 /nfs/dbraw/zinc/24/35/60/527243560.db2.gz HCOKRHBCVCSATE-UHFFFAOYSA-N 0 3 289.791 3.826 10 0 CHAEHN N[C@@H](c1ccc(F)c(Cl)c1)c1cc(F)ccc1F ZINC000062792305 527338873 /nfs/dbraw/zinc/33/88/73/527338873.db2.gz NGQAFOGXLAZCSA-ZDUSSCGKSA-N 0 3 271.669 3.805 10 0 CHAEHN N[C@H](CC(F)(F)F)c1ccccc1OC(F)(F)F ZINC000055225528 527384594 /nfs/dbraw/zinc/38/45/94/527384594.db2.gz UEHFCHRIEQJWCI-SSDOTTSWSA-N 0 3 273.176 3.537 10 0 CHAEHN CC(C)N(Cc1cc(N)ccc1Br)C(C)C ZINC000675056971 567021796 /nfs/dbraw/zinc/02/17/96/567021796.db2.gz SLZXFQUXTGSJFL-UHFFFAOYSA-N 0 3 285.229 3.650 10 0 CHAEHN N[C@@H](c1ccc(Cl)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000001665989 560183557 /nfs/dbraw/zinc/18/35/57/560183557.db2.gz ILMMSBJXXQIEEM-KBPBESRZSA-N 0 3 282.170 3.727 10 0 in-vitro CHAEHN Brc1cccc([C@H]2NCCc3ccsc32)c1 ZINC000084704877 567033806 /nfs/dbraw/zinc/03/38/06/567033806.db2.gz AYHHPTODVGIXEN-GFCCVEGCSA-N 0 3 294.217 3.746 10 0 CHAEHN CCN[C@@H](c1cc(F)c(Br)cc1F)C1CC1 ZINC000070022810 567901360 /nfs/dbraw/zinc/90/13/60/567901360.db2.gz ZKRYRAIYLWSURV-GFCCVEGCSA-N 0 3 290.151 3.788 10 0 CHAEHN C=C(OCC)c1ccc(Cl)c(CNC(C)C)c1 ZINC000725267715 567924094 /nfs/dbraw/zinc/92/40/94/567924094.db2.gz ZINCOXCHDQSJBS-UHFFFAOYSA-N 0 3 253.773 3.845 10 0 CHAEHN CCCOc1ccc2c(c1)[C@H](NCC)CC(C)(C)O2 ZINC000082505900 178069758 /nfs/dbraw/zinc/06/97/58/178069758.db2.gz PYRJYMHZKVGLRR-CQSZACIVSA-N 0 3 263.381 3.687 10 0 CHAEHN CCN[C@@H]1CC2(CCCCC2)Oc2ccc(OC)cc21 ZINC000082509195 178075656 /nfs/dbraw/zinc/07/56/56/178075656.db2.gz NBCNWOJDACDUGE-OAHLLOKOSA-N 0 3 275.392 3.831 10 0 CHAEHN N[C@@H]1CC2(CCC2)Oc2c(Cl)cc(Cl)cc21 ZINC000095835670 185029667 /nfs/dbraw/zinc/02/96/67/185029667.db2.gz DZGWSEDHIMLGJT-SNVBAGLBSA-N 0 3 258.148 3.698 10 0 CHAEHN CCCNCc1cnn(-c2ccc(C)cc2)c1C(F)(F)F ZINC000082661652 178149564 /nfs/dbraw/zinc/14/95/64/178149564.db2.gz NNGDPBGUXCKNIK-UHFFFAOYSA-N 0 3 297.324 3.699 10 0 CHAEHN COc1cc(CC(C)C)c(OC)c2c1CCN[C@@H]2C(C)C ZINC000096889064 185123606 /nfs/dbraw/zinc/12/36/06/185123606.db2.gz MDUIRILXRLCZRX-QGZVFWFLSA-N 0 3 291.435 3.745 10 0 CHAEHN CCSc1cc(OC)c2c(c1OC)[C@H](C)NCC2(C)C ZINC000096889023 185124209 /nfs/dbraw/zinc/12/42/09/185124209.db2.gz UUYPFEOKTXCRLV-JTQLQIEISA-N 0 3 295.448 3.758 10 0 CHAEHN CCc1ccc([C@@H](C)NCc2cccn2CC)cc1 ZINC000091023784 260434018 /nfs/dbraw/zinc/43/40/18/260434018.db2.gz KTHSRMHCORPWPL-CQSZACIVSA-N 0 3 256.393 3.921 10 0 CHAEHN Cc1ccc([C@H](N)COc2cccc(C)c2C)c(C)c1 ZINC000021017911 184535988 /nfs/dbraw/zinc/53/59/88/184535988.db2.gz HYCGTAFRMDPKRT-QGZVFWFLSA-N 0 3 269.388 3.999 10 0 CHAEHN N[C@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000004204899 169943769 /nfs/dbraw/zinc/94/37/69/169943769.db2.gz OLOALBPICAZSJT-CYBMUJFWSA-N 0 3 283.705 3.990 10 0 CHAEHN CN1CC=C(/C=C/c2cccc(Br)c2)CC1 ZINC000005966242 170163747 /nfs/dbraw/zinc/16/37/47/170163747.db2.gz CEBVLYAEGCVTFY-AATRIKPKSA-N 0 3 278.193 3.724 10 0 CHAEHN CC[C@H](NCc1ccccc1OC)c1ccc(O)cc1 ZINC000019903219 170914963 /nfs/dbraw/zinc/91/49/63/170914963.db2.gz GVNUFKDEFFASHI-INIZCTEOSA-N 0 3 271.360 3.642 10 0 CHAEHN COc1cc(OC)cc([C@@H](N)c2c(C)cc(C)cc2C)c1 ZINC000019968670 170951019 /nfs/dbraw/zinc/95/10/19/170951019.db2.gz KAZJGVLGVSCUKG-GOSISDBHSA-N 0 3 285.387 3.677 10 0 CHAEHN COc1cc([C@@H](C)N[C@H](C)c2ccc(F)cc2)ccc1O ZINC000020095700 170995581 /nfs/dbraw/zinc/99/55/81/170995581.db2.gz DWMYVEMJCXMYBG-VXGBXAGGSA-N 0 3 289.350 3.952 10 0 CHAEHN C[C@@H](N[C@H](CN(C)C)c1ccccc1)c1cccc(F)c1 ZINC000020129414 171018045 /nfs/dbraw/zinc/01/80/45/171018045.db2.gz PJAKJJLRVNLEOH-RDTXWAMCSA-N 0 3 286.394 3.779 10 0 CHAEHN c1ccc2c(c1)CC[C@@H]2N[C@@H]1CCOc2ccccc21 ZINC000020130037 171018851 /nfs/dbraw/zinc/01/88/51/171018851.db2.gz RHPJUSONSUDWHK-DLBZAZTESA-N 0 3 265.356 3.787 10 0 CHAEHN c1ccc(CCNCc2nc3ccccc3s2)cc1 ZINC000020136003 171023414 /nfs/dbraw/zinc/02/34/14/171023414.db2.gz WXHUQODAXADTQG-UHFFFAOYSA-N 0 3 268.385 3.629 10 0 CHAEHN Cc1cc(C)c([C@@H](C)NCc2cccnc2)c(C)c1 ZINC000020141005 171027878 /nfs/dbraw/zinc/02/78/78/171027878.db2.gz AYJIJRLYIBKSHR-OAHLLOKOSA-N 0 3 254.377 3.858 10 0 CHAEHN C[C@@H](NC1c2ccccc2-c2ccccc21)[C@@H]1CCCO1 ZINC000020206401 171071042 /nfs/dbraw/zinc/07/10/42/171071042.db2.gz PKJBEXBXBOKRKI-ACJLOTCBSA-N 0 3 279.383 3.914 10 0 CHAEHN Cc1cccc([C@H](CN)N(C)Cc2ccccc2Cl)c1 ZINC000020225496 171088088 /nfs/dbraw/zinc/08/80/88/171088088.db2.gz FGUWSVPVZKSYOV-KRWDZBQOSA-N 0 3 288.822 3.780 10 0 CHAEHN CCc1ccc([C@H](CN)N(C)Cc2ccccc2F)cc1 ZINC000020225707 171088619 /nfs/dbraw/zinc/08/86/19/171088619.db2.gz ZZNXFTKBHOJIPB-SFHVURJKSA-N 0 3 286.394 3.520 10 0 CHAEHN CN(Cc1cccc(Cl)c1)[C@@H](CN)c1ccc(F)cc1 ZINC000020225662 171088859 /nfs/dbraw/zinc/08/88/59/171088859.db2.gz SHOYVJILHKSGGD-INIZCTEOSA-N 0 3 292.785 3.611 10 0 CHAEHN Cc1cccc(CN(C)[C@@H](CN)c2ccc(Cl)cc2)c1 ZINC000020226000 171089946 /nfs/dbraw/zinc/08/99/46/171089946.db2.gz ZIHKXNKIHJPHPU-KRWDZBQOSA-N 0 3 288.822 3.780 10 0 CHAEHN NC1(C(=O)Nc2cccc(Cl)c2Cl)CCCCC1 ZINC000020246480 171100223 /nfs/dbraw/zinc/10/02/23/171100223.db2.gz YHDGRVDEMYIZDY-UHFFFAOYSA-N 0 3 287.190 3.594 10 0 CHAEHN Cc1ccccc1[C@@H](N)c1ccccc1Br ZINC000020391317 171180137 /nfs/dbraw/zinc/18/01/37/171180137.db2.gz NNJULVYQXAOSJS-CQSZACIVSA-N 0 3 276.177 3.806 10 0 CHAEHN NCc1cc(Br)ccc1OC1CCCCC1 ZINC000020483418 171223863 /nfs/dbraw/zinc/22/38/63/171223863.db2.gz QMQKKBCTSODBEL-UHFFFAOYSA-N 0 3 284.197 3.619 10 0 CHAEHN COc1ccc([C@@H](N)c2cccc(C)c2)cc1Cl ZINC000020521876 171235290 /nfs/dbraw/zinc/23/52/90/171235290.db2.gz ZTLOSTIXHHQRHV-HNNXBMFYSA-N 0 3 261.752 3.705 10 0 CHAEHN CC(C)c1cccc(O[C@H]2COc3ccccc3[C@@H]2N)c1 ZINC000020546444 171243868 /nfs/dbraw/zinc/24/38/68/171243868.db2.gz GQGOTYOCHLVRCI-ROUUACIJSA-N 0 3 283.371 3.650 10 0 CHAEHN Cc1cccc(OC[C@H](N)c2ccc(C)c(C)c2)c1 ZINC000020553978 171249269 /nfs/dbraw/zinc/24/92/69/171249269.db2.gz AXEVKNYJGFFJRE-KRWDZBQOSA-N 0 3 255.361 3.691 10 0 CHAEHN Cc1ccc(N[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000020595903 171264363 /nfs/dbraw/zinc/26/43/63/171264363.db2.gz PRPDWWTVAKJLKC-KRWDZBQOSA-N 0 3 284.378 3.821 10 0 CHAEHN CCCOc1ccccc1CNCCc1ccccc1F ZINC000020924496 171279877 /nfs/dbraw/zinc/27/98/77/171279877.db2.gz OOZVRXSWTVEOGW-UHFFFAOYSA-N 0 3 287.378 3.947 10 0 CHAEHN N[C@@H]1c2ccccc2CCC[C@@H]1Oc1cccc(F)c1 ZINC000021008804 171285376 /nfs/dbraw/zinc/28/53/76/171285376.db2.gz BWTCVCSSOVLPCE-DLBZAZTESA-N 0 3 271.335 3.609 10 0 CHAEHN CCc1ccc(O[C@@H](C)[C@H](N)c2ccccc2)cc1 ZINC000021013941 171288766 /nfs/dbraw/zinc/28/87/66/171288766.db2.gz MKZDRTFSBOXCQD-GUYCJALGSA-N 0 3 255.361 3.716 10 0 CHAEHN CCc1ccc(O[C@H](C)[C@@H](N)c2ccccc2)cc1 ZINC000021013940 171288980 /nfs/dbraw/zinc/28/89/80/171288980.db2.gz MKZDRTFSBOXCQD-CXAGYDPISA-N 0 3 255.361 3.716 10 0 CHAEHN CCCc1ccc([C@H](N)COc2ccccc2)cc1 ZINC000021516219 171312239 /nfs/dbraw/zinc/31/22/39/171312239.db2.gz DFSVKZNIESRLBB-QGZVFWFLSA-N 0 3 255.361 3.718 10 0 CHAEHN CCCCCNCc1cc2c(cc1OCC)C[C@H](C)O2 ZINC000021813350 171330425 /nfs/dbraw/zinc/33/04/25/171330425.db2.gz AVFTXSOWWCLYDJ-ZDUSSCGKSA-N 0 3 277.408 3.689 10 0 CHAEHN NC[C@@H](c1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000022175666 171370328 /nfs/dbraw/zinc/37/03/28/171370328.db2.gz FDGJKNFKZLRMDH-AWEZNQCLSA-N 0 3 286.341 3.581 10 0 CHAEHN CC(C)(C)c1ccc(Oc2ccc(CN)cn2)cc1 ZINC000022222468 171378662 /nfs/dbraw/zinc/37/86/62/171378662.db2.gz AQYGYPFFBQOQAO-UHFFFAOYSA-N 0 3 256.349 3.630 10 0 CHAEHN Cc1cc(Oc2ccc(CN)cn2)ccc1C(C)C ZINC000022223646 171379717 /nfs/dbraw/zinc/37/97/17/171379717.db2.gz SABZTXJIUXMBJA-UHFFFAOYSA-N 0 3 256.349 3.764 10 0 CHAEHN Cc1ccc(C(=O)[C@H](C)N2CCCCCCC2)cc1 ZINC000035036194 171942376 /nfs/dbraw/zinc/94/23/76/171942376.db2.gz ALHTWAQPLDKEGM-HNNXBMFYSA-N 0 3 259.393 3.832 10 0 CHAEHN CC(C)CCN[C@H](c1ccccc1)c1ccncc1 ZINC000035163327 172024167 /nfs/dbraw/zinc/02/41/67/172024167.db2.gz OHRHFLHNFNQZPU-QGZVFWFLSA-N 0 3 254.377 3.807 10 0 CHAEHN CCN(CC)C(=O)[C@H](C)N[C@H](CC(C)C)c1ccccc1 ZINC000035224643 172068574 /nfs/dbraw/zinc/06/85/74/172068574.db2.gz TVBLEEZRJHUFTB-DOTOQJQBSA-N 0 3 290.451 3.620 10 0 CHAEHN N[C@H](c1cc2c(s1)CCC2)c1ccc(Cl)cc1 ZINC000035379553 172162052 /nfs/dbraw/zinc/16/20/52/172162052.db2.gz AMKPMNBMWLOGJG-AWEZNQCLSA-N 0 3 263.793 3.938 10 0 CHAEHN COc1ccc([C@@H](N)c2cccc(Cl)c2)cc1F ZINC000035424307 172192668 /nfs/dbraw/zinc/19/26/68/172192668.db2.gz JRRLUXHQTJAREG-AWEZNQCLSA-N 0 3 265.715 3.536 10 0 CHAEHN CCOc1ccccc1[C@H](NC)c1ccc(F)cc1 ZINC000035463874 172211607 /nfs/dbraw/zinc/21/16/07/172211607.db2.gz OUVRKWRUVRUTKK-MRXNPFEDSA-N 0 3 259.324 3.533 10 0 CHAEHN CN[C@@H](c1ccccc1)c1cccc(OC(F)F)c1 ZINC000035464894 172212417 /nfs/dbraw/zinc/21/24/17/172212417.db2.gz CTOHBONHQDCUPV-AWEZNQCLSA-N 0 3 263.287 3.597 10 0 CHAEHN CN[C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000035465017 172212523 /nfs/dbraw/zinc/21/25/23/172212523.db2.gz JJVUYKSEKDMPJP-AWEZNQCLSA-N 0 3 276.177 3.758 10 0 CHAEHN CN[C@H](c1ccc(C)cc1)c1ccc(C)c(OC)c1 ZINC000035466208 172213606 /nfs/dbraw/zinc/21/36/06/172213606.db2.gz BDZYSWKDOHBYHG-QGZVFWFLSA-N 0 3 255.361 3.621 10 0 CHAEHN CN[C@@H](c1sccc1C)c1cc(F)ccc1F ZINC000035468572 172217754 /nfs/dbraw/zinc/21/77/54/172217754.db2.gz ABDBTRUEXKRKNA-GFCCVEGCSA-N 0 3 253.317 3.644 10 0 CHAEHN CN[C@@H](c1c(F)cc(F)cc1F)C1CCCCC1 ZINC000035469528 172220632 /nfs/dbraw/zinc/22/06/32/172220632.db2.gz VASYALJTLKRANV-CQSZACIVSA-N 0 3 257.299 3.945 10 0 CHAEHN CN[C@@H](Cc1ccccc1)c1c(F)cc(F)cc1F ZINC000035469612 172221085 /nfs/dbraw/zinc/22/10/85/172221085.db2.gz LNQBVRKHCCTXEB-AWEZNQCLSA-N 0 3 265.278 3.607 10 0 CHAEHN CN[C@H](c1ccc(C(C)(C)C)cc1)c1cccnc1 ZINC000035493537 172227154 /nfs/dbraw/zinc/22/71/54/172227154.db2.gz XSQGHWLCAYAQMQ-MRXNPFEDSA-N 0 3 254.377 3.688 10 0 CHAEHN CN[C@H](c1sccc1C)c1ccc2c(c1)CCC2 ZINC000035496791 172230490 /nfs/dbraw/zinc/23/04/90/172230490.db2.gz UAASHBDFCPJOQJ-HNNXBMFYSA-N 0 3 257.402 3.854 10 0 CHAEHN CN[C@H](c1ccc(Cl)s1)[C@@H]1Cc2ccccc2O1 ZINC000035498169 172231657 /nfs/dbraw/zinc/23/16/57/172231657.db2.gz JZRFZIIRUAPRAF-FZMZJTMJSA-N 0 3 279.792 3.666 10 0 CHAEHN CCOc1ccc(Br)cc1[C@H](NC)C1CC1 ZINC000035505823 172239284 /nfs/dbraw/zinc/23/92/84/172239284.db2.gz ZOEBIVHEBHAGRA-CYBMUJFWSA-N 0 3 284.197 3.518 10 0 CHAEHN CCN[C@H](c1ccc(OC)cc1)c1ccccc1F ZINC000035540855 172247699 /nfs/dbraw/zinc/24/76/99/172247699.db2.gz LNIYBCPREKNBQD-MRXNPFEDSA-N 0 3 259.324 3.533 10 0 CHAEHN CCN[C@@H](c1ccoc1C)c1ccc(OCC)cc1 ZINC000035541212 172248809 /nfs/dbraw/zinc/24/88/09/172248809.db2.gz BBFBGVSHAHVSBJ-MRXNPFEDSA-N 0 3 259.349 3.686 10 0 CHAEHN CCN[C@H](c1cccc(C)c1)c1ccc(F)c(F)c1 ZINC000035549063 172257165 /nfs/dbraw/zinc/25/71/65/172257165.db2.gz FQVZHFRXADUFAV-MRXNPFEDSA-N 0 3 261.315 3.972 10 0 CHAEHN CCN[C@@H](Cc1ncc[nH]1)c1cccc(Cl)c1Cl ZINC000035570511 172266698 /nfs/dbraw/zinc/26/66/98/172266698.db2.gz GTRLYOUPMBQZDD-NSHDSACASA-N 0 3 284.190 3.610 10 0 CHAEHN CCN[C@H](CC(F)(F)F)c1ccc2c(c1)C[C@H](C)O2 ZINC000035571069 172267698 /nfs/dbraw/zinc/26/76/98/172267698.db2.gz RQRCSAJEONDPNG-JOYOIKCWSA-N 0 3 273.298 3.613 10 0 CHAEHN CCCN[C@H](C)c1cc(Br)ccc1OCC ZINC000035586848 172286748 /nfs/dbraw/zinc/28/67/48/172286748.db2.gz ARLXBLDYVMQXSQ-SNVBAGLBSA-N 0 3 286.213 3.908 10 0 CHAEHN CC[C@@H](NCCC(=O)OC)c1ccc(Cl)cc1Cl ZINC000035625528 172304950 /nfs/dbraw/zinc/30/49/50/172304950.db2.gz RYRJCSAXWKPCPP-GFCCVEGCSA-N 0 3 290.190 3.597 10 0 CHAEHN CCN(CC)CCOc1c(Cl)cc(Cl)cc1C=O ZINC000035662403 172340439 /nfs/dbraw/zinc/34/04/39/172340439.db2.gz UIQUPEANASQKKQ-UHFFFAOYSA-N 0 3 290.190 3.527 10 0 CHAEHN CCNCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000035662063 172340512 /nfs/dbraw/zinc/34/05/12/172340512.db2.gz CCPJPVDGEYOKGH-UHFFFAOYSA-N 0 3 270.106 3.704 10 0 CHAEHN Cc1cc(Oc2ncccc2CN)cc(C)c1Cl ZINC000035719869 172374332 /nfs/dbraw/zinc/37/43/32/172374332.db2.gz RTNNUBFKKBQZII-UHFFFAOYSA-N 0 3 262.740 3.603 10 0 CHAEHN COc1ccc(C[C@H](C)N[C@H](C)c2ccco2)cc1 ZINC000035738444 172392153 /nfs/dbraw/zinc/39/21/53/172392153.db2.gz FDUJVSVJSRYWRR-QWHCGFSZSA-N 0 3 259.349 3.570 10 0 CHAEHN CC(C)[C@H](C)N(C)[C@@H](CN)c1c(Cl)cccc1Cl ZINC000036786942 172704750 /nfs/dbraw/zinc/70/47/50/172704750.db2.gz VSRRWNPMUWAISB-GWCFXTLKSA-N 0 3 289.250 3.970 10 0 CHAEHN CC[C@H](C(=O)c1ccccc1)N1C[C@H](C)C[C@H](C)C1 ZINC000037331868 173133462 /nfs/dbraw/zinc/13/34/62/173133462.db2.gz QGYKWSOFMCWJIP-IJEWVQPXSA-N 0 3 259.393 3.626 10 0 CHAEHN C[C@@H]1C[C@H](C)CN(Cc2c(N)cccc2Br)C1 ZINC000037401817 173178161 /nfs/dbraw/zinc/17/81/61/173178161.db2.gz HEOFDTGJHSXGJG-PHIMTYICSA-N 0 3 297.240 3.509 10 0 CHAEHN C[C@@H]1C[C@@H](C)CN(Cc2c(N)cccc2Br)C1 ZINC000037401823 173178530 /nfs/dbraw/zinc/17/85/30/173178530.db2.gz HEOFDTGJHSXGJG-GHMZBOCLSA-N 0 3 297.240 3.509 10 0 CHAEHN CCn1c2c(cccc2Cl)nc1[C@H](N)CC(C)C ZINC000037443875 173212153 /nfs/dbraw/zinc/21/21/53/173212153.db2.gz VUPNMNVLZJUVTL-LLVKDONJSA-N 0 3 265.788 3.756 10 0 CHAEHN CN[C@H](CCOc1ccccc1)c1cccc(F)c1 ZINC000037533137 173253694 /nfs/dbraw/zinc/25/36/94/173253694.db2.gz UTNWACKATPKIAG-MRXNPFEDSA-N 0 3 259.324 3.555 10 0 CHAEHN Fc1ccc(Br)c(CN[C@@H]2C[C@@H]3CC=C[C@H]23)c1 ZINC000038039143 174039429 /nfs/dbraw/zinc/03/94/29/174039429.db2.gz NUEFKFQKFPMVFH-DUFXMDAXSA-N 0 3 296.183 3.642 10 0 CHAEHN CCNCc1cc(-c2ccc(F)cc2)ccc1OC ZINC000038070804 174081588 /nfs/dbraw/zinc/08/15/88/174081588.db2.gz DXZBEUQQGJNOJF-UHFFFAOYSA-N 0 3 259.324 3.611 10 0 CHAEHN CNCc1ccccc1OCc1cc(C)cc(C)c1 ZINC000038076680 174087720 /nfs/dbraw/zinc/08/77/20/174087720.db2.gz DZJPNFHYRTWUHF-UHFFFAOYSA-N 0 3 255.361 3.602 10 0 CHAEHN CN[C@@H](Cc1cccs1)c1cc(F)ccc1F ZINC000038132747 174132106 /nfs/dbraw/zinc/13/21/06/174132106.db2.gz NOENAWMBQVGECC-ZDUSSCGKSA-N 0 3 253.317 3.530 10 0 CHAEHN Nc1ccncc1Oc1ccc(Cl)cc1Cl ZINC000038351796 174140544 /nfs/dbraw/zinc/14/05/44/174140544.db2.gz LPGSPMPKOMBZNM-UHFFFAOYSA-N 0 3 255.104 3.763 10 0 CHAEHN CCOCCCn1c2ccccc2nc1[C@H](N)CC(C)C ZINC000040163873 174196905 /nfs/dbraw/zinc/19/69/05/174196905.db2.gz AXXOTCSIIXJKBR-CQSZACIVSA-N 0 3 289.423 3.509 10 0 CHAEHN CCc1ccc(C(N)c2ccc(CC)s2)s1 ZINC000043639760 175084139 /nfs/dbraw/zinc/08/41/39/175084139.db2.gz ZPUQUIPPNBIZLE-UHFFFAOYSA-N 0 3 251.420 3.983 10 0 CHAEHN COc1ccc2c(c1)C1(CC1)CN[C@H]2c1ccc(C)cc1 ZINC000071630431 176235971 /nfs/dbraw/zinc/23/59/71/176235971.db2.gz WFEMBNWCFDLLET-SFHVURJKSA-N 0 3 279.383 3.728 10 0 CHAEHN COc1ccc2c(c1)C(C)(C)CN[C@@H]2c1ccc(C)cc1 ZINC000071631842 176236753 /nfs/dbraw/zinc/23/67/53/176236753.db2.gz XSEOILXEQUMWJO-GOSISDBHSA-N 0 3 281.399 3.974 10 0 CHAEHN COc1ccc2c(c1)C(C)(C)CN[C@@H]2c1cccc(C)c1 ZINC000071631840 176236791 /nfs/dbraw/zinc/23/67/91/176236791.db2.gz INOQRFMFRXSJDN-GOSISDBHSA-N 0 3 281.399 3.974 10 0 CHAEHN COCc1c2cc(Cl)ccc2oc1CNC(C)C ZINC000077069930 177184754 /nfs/dbraw/zinc/18/47/54/177184754.db2.gz ADJSFJAZSFQYKI-UHFFFAOYSA-N 0 3 267.756 3.731 10 0 CHAEHN C[C@H]1C[C@@H]1NCc1cc(Br)c(Cl)s1 ZINC000191694568 227131094 /nfs/dbraw/zinc/13/10/94/227131094.db2.gz VIDUDMRWXHNQOD-XNCJUZBTSA-N 0 3 280.618 3.662 10 0 CHAEHN Cc1ccncc1-c1noc([C@@H]2CCCN2C2CCCC2)n1 ZINC000333241942 228194706 /nfs/dbraw/zinc/19/47/06/228194706.db2.gz WMXZTWOSVAFEPY-HNNXBMFYSA-N 0 3 298.390 3.520 10 0 CHAEHN COc1ccccc1C1CC(N[C@@H](C)c2ccco2)C1 ZINC000037506801 260113602 /nfs/dbraw/zinc/11/36/02/260113602.db2.gz CTUFHBSVRXSIMH-HSBZDZAISA-N 0 3 271.360 3.885 10 0 CHAEHN c1ccc2c(c1)OC[C@H]2Nc1ccnc2ccccc21 ZINC000070079345 260151282 /nfs/dbraw/zinc/15/12/82/260151282.db2.gz TYXTZGJZHICAIV-MRXNPFEDSA-N 0 3 262.312 3.780 10 0 CHAEHN c1cc2c(cccc2CN[C@H]2CCOc3ccccc32)[nH]1 ZINC000070938641 260158433 /nfs/dbraw/zinc/15/84/33/260158433.db2.gz AEVZFUVTPFZWFF-KRWDZBQOSA-N 0 3 278.355 3.781 10 0 CHAEHN CCCn1ccc(CNCc2ccc(F)c(Cl)c2)c1 ZINC000091013317 260264775 /nfs/dbraw/zinc/26/47/75/260264775.db2.gz ZEAVXMSIGQUIKK-UHFFFAOYSA-N 0 3 280.774 3.980 10 0 CHAEHN Cc1noc(C)c1CNC1CC(c2cccc(C)c2)C1 ZINC000092328782 260269230 /nfs/dbraw/zinc/26/92/30/260269230.db2.gz SWKFPNKJLCWWFI-UHFFFAOYSA-N 0 3 270.376 3.636 10 0 CHAEHN Cc1ccccc1[C@@H](NC[C@@H](C)CCO)c1ccccc1 ZINC000093248988 260273367 /nfs/dbraw/zinc/27/33/67/260273367.db2.gz TUYRUXJHISYQBL-KXBFYZLASA-N 0 3 283.415 3.693 10 0 CHAEHN C[C@H](C(=O)Nc1ccc(Cl)cc1)[C@@H](N)c1ccccc1 ZINC000130060918 260392351 /nfs/dbraw/zinc/39/23/51/260392351.db2.gz KASDETJVKDTFKL-XHDPSFHLSA-N 0 3 288.778 3.615 10 0 CHAEHN Cc1ccccc1CCCN1CCCC[C@@H]1c1cn[nH]c1 ZINC000175972422 261257798 /nfs/dbraw/zinc/25/77/98/261257798.db2.gz ZXKAGPFLLPZURK-GOSISDBHSA-N 0 3 283.419 3.878 10 0 CHAEHN Cc1cnn([C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2)c1 ZINC000106219821 261323793 /nfs/dbraw/zinc/32/37/93/261323793.db2.gz KRVVOBVQZSZCAN-YOEHRIQHSA-N 0 3 287.382 3.729 10 0 CHAEHN Cc1ccnc(N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000301664134 261339893 /nfs/dbraw/zinc/33/98/93/261339893.db2.gz VUYUOKLOCWPNQN-WMZOPIPTSA-N 0 3 295.430 3.855 10 0 CHAEHN Cc1ccc(CN[C@@H](C)COCc2ccccc2)c(C)c1 ZINC000390603872 262225990 /nfs/dbraw/zinc/22/59/90/262225990.db2.gz ZPYYPBRDCJMRCH-KRWDZBQOSA-N 0 3 283.415 3.998 10 0 CHAEHN CC(C)CCOc1ccc(CN[C@H](C)[C@H]2CCCO2)cc1 ZINC000020549344 262249056 /nfs/dbraw/zinc/24/90/56/262249056.db2.gz PZQUGNNDJZIKJZ-CRAIPNDOSA-N 0 3 291.435 3.769 10 0 CHAEHN C[C@@H](N[C@@H](C)c1cccc(CO)c1)c1cccs1 ZINC000179094924 327799236 /nfs/dbraw/zinc/79/92/36/327799236.db2.gz ZYYMHRJVDUBJFJ-NWDGAFQWSA-N 0 3 261.390 3.652 10 0 CHAEHN C[C@@H](c1cc(F)ccc1F)N1CCNCc2ccccc21 ZINC000062818039 327895598 /nfs/dbraw/zinc/89/55/98/327895598.db2.gz GPIJTKNVPUKQOG-LBPRGKRZSA-N 0 3 288.341 3.636 10 0 CHAEHN Cc1cccc(C2CC(N[C@@H](C)c3ccccn3)C2)c1 ZINC000036843165 326829143 /nfs/dbraw/zinc/82/91/43/326829143.db2.gz CSLJMOQPCFTSGW-OOHWJJMZSA-N 0 3 266.388 3.987 10 0 CHAEHN CCC[C@H](N[C@H](C)c1ncc(C)o1)C1CCCC1 ZINC000313421077 327128567 /nfs/dbraw/zinc/12/85/67/327128567.db2.gz DKOBYAZYYVWDGE-OCCSQVGLSA-N 0 3 250.386 3.993 10 0 CHAEHN C[C@@H]1OCC[C@H]1N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000090461207 327179082 /nfs/dbraw/zinc/17/90/82/327179082.db2.gz NJTALXFBQYVNEN-NUEKZKHPSA-N 0 3 287.403 3.590 10 0 CHAEHN CC[C@H](NCC(=O)NC1CCCCCC1)c1ccccc1 ZINC000053341384 327232246 /nfs/dbraw/zinc/23/22/46/327232246.db2.gz OXDLEIJSNCTZFU-KRWDZBQOSA-N 0 3 288.435 3.566 10 0 CHAEHN CCCOc1ccc(Br)cc1CN[C@@H]1C[C@@H]1C ZINC000052273654 328642079 /nfs/dbraw/zinc/64/20/79/328642079.db2.gz QXRJIMQXYICWDZ-GXFFZTMASA-N 0 3 298.224 3.736 10 0 CHAEHN COc1cc(CN2CCC[C@H]2c2ccco2)ccc1C ZINC000193938356 329064152 /nfs/dbraw/zinc/06/41/52/329064152.db2.gz WHLKJIPPBUVXRX-HNNXBMFYSA-N 0 3 271.360 3.934 10 0 CHAEHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1cc(F)c(F)c(F)c1 ZINC000248142481 329887750 /nfs/dbraw/zinc/88/77/50/329887750.db2.gz PUCNXLQYCLZXQK-UYFLLQICSA-N 0 3 299.336 3.568 10 0 CHAEHN C[C@@H](NC[C@@H]1CCCCN1Cc1ccccc1)c1ccco1 ZINC000379615233 330141731 /nfs/dbraw/zinc/14/17/31/330141731.db2.gz AKTAEYQPGUCCGF-AEFFLSMTSA-N 0 3 298.430 3.985 10 0 CHAEHN c1sc(CN[C@H]2C[C@H]3CC[C@@H]2O3)cc1-c1ccccc1 ZINC000152912797 330637817 /nfs/dbraw/zinc/63/78/17/330637817.db2.gz LWKOTZXZXZFASX-PVAVHDDUSA-N 0 3 285.412 3.825 10 0 CHAEHN C[C@@H](COCc1ccccc1)N[C@@H](C)c1cccc(O)c1 ZINC000194904064 331072647 /nfs/dbraw/zinc/07/26/47/331072647.db2.gz HRLNCTFIMFBWCL-GJZGRUSLSA-N 0 3 285.387 3.648 10 0 CHAEHN C[C@@H]1CC(CNCc2c(F)cccc2Cl)C[C@@H](C)O1 ZINC000466408749 331395479 /nfs/dbraw/zinc/39/54/79/331395479.db2.gz IFRLCBXWQQDKIM-GHMZBOCLSA-N 0 3 285.790 3.772 10 0 CHAEHN C[C@@H]1C[C@@H](CNCc2ccc(F)cc2Cl)C[C@H](C)O1 ZINC000466411153 331395699 /nfs/dbraw/zinc/39/56/99/331395699.db2.gz XMYCSFZDVKLULG-ZSBIGDGJSA-N 0 3 285.790 3.772 10 0 CHAEHN OC[C@H]1CCCC[C@H]1NCc1cccc(Cl)c1Cl ZINC000219003687 333139853 /nfs/dbraw/zinc/13/98/53/333139853.db2.gz ZVGVBHGTYRSVCI-DGCLKSJQSA-N 0 3 288.218 3.634 10 0 CHAEHN CCc1cccc(CN2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000189220891 333186243 /nfs/dbraw/zinc/18/62/43/333186243.db2.gz NLQMINAERBVYME-SFHVURJKSA-N 0 3 283.419 3.591 10 0 CHAEHN C[C@H](NC[C@@H]1CCCN1C)c1cc(Cl)ccc1Cl ZINC000222704404 333199045 /nfs/dbraw/zinc/19/90/45/333199045.db2.gz HQIBGZDQTATTPM-JQWIXIFHSA-N 0 3 287.234 3.738 10 0 CHAEHN CC(C)CC[C@H]1CCC[C@H]1NCc1nnc(C(C)C)n1C ZINC000191878308 333226744 /nfs/dbraw/zinc/22/67/44/333226744.db2.gz BATVMKIJBNNTQH-HUUCEWRRSA-N 0 3 292.471 3.633 10 0 CHAEHN CCCC[C@H](CC)CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000226814428 333270317 /nfs/dbraw/zinc/27/03/17/333270317.db2.gz NMQAPUWDZLOTNK-YQQAZPJKSA-N 0 3 290.451 3.655 10 0 CHAEHN C[C@H](NC[C@H](O)CC1CCCC1)c1cccc(Cl)c1 ZINC000232129534 333334149 /nfs/dbraw/zinc/33/41/49/333334149.db2.gz ZLZUFRMRTDTOGS-BLLLJJGKSA-N 0 3 281.827 3.932 10 0 CHAEHN CCCC[C@@H](N)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037619739 333535268 /nfs/dbraw/zinc/53/52/68/333535268.db2.gz UDXJYPNQBMVGEE-CZUORRHYSA-N 0 3 290.451 3.679 10 0 CHAEHN Cc1ccc(-c2nnc([C@H](C)N[C@@H](C)C(C)C)o2)cc1 ZINC000078406601 334132814 /nfs/dbraw/zinc/13/28/14/334132814.db2.gz PZDZDBIUQFQSHV-STQMWFEESA-N 0 3 273.380 3.740 10 0 CHAEHN Cc1ccc(OC(F)F)c([C@H](C)N[C@H]2C[C@H]2C)c1 ZINC000246837283 334270330 /nfs/dbraw/zinc/27/03/30/334270330.db2.gz ASQQQNZGEXFRAF-SCVCMEIPSA-N 0 3 255.308 3.655 10 0 CHAEHN Cc1cnn([C@@H]2CCCN([C@@H](C)c3cccc(C)c3)C2)c1 ZINC000247694411 334288523 /nfs/dbraw/zinc/28/85/23/334288523.db2.gz WKNUENNRTCGBMB-FUHWJXTLSA-N 0 3 283.419 3.898 10 0 CHAEHN C[C@H](N[C@H]1CCCC[C@H]1O)c1cccc(Cl)c1Cl ZINC000247950139 334291988 /nfs/dbraw/zinc/29/19/88/334291988.db2.gz DYVRCBXLOSCYCW-TVYUQYBPSA-N 0 3 288.218 3.948 10 0 CHAEHN CSc1ccc(CN2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000247973183 334292648 /nfs/dbraw/zinc/29/26/48/334292648.db2.gz KADPSFQUYNOVNX-DOTOQJQBSA-N 0 3 291.460 3.536 10 0 CHAEHN O[C@@]12CCCC[C@H]1CN(CCc1ccccc1Cl)CC2 ZINC000247988785 334292890 /nfs/dbraw/zinc/29/28/90/334292890.db2.gz JCDZYEIRGURMOE-DOTOQJQBSA-N 0 3 293.838 3.510 10 0 CHAEHN CC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ccc2ccccc2c1 ZINC000249237723 334330554 /nfs/dbraw/zinc/33/05/54/334330554.db2.gz NXMOBWVBWYGFSW-RRFJBIMHSA-N 0 3 298.430 3.794 10 0 CHAEHN CCOc1ccc(Cl)cc1[C@H](C)N[C@@H]1CCCC[C@@H]1O ZINC000165251933 334893443 /nfs/dbraw/zinc/89/34/43/334893443.db2.gz FQKMBNNBPNGGEU-GLQYFDAESA-N 0 3 297.826 3.693 10 0 CHAEHN COc1ccc([C@H](C)CN2Cc3ccccc3C2)cc1 ZINC000180073166 335547414 /nfs/dbraw/zinc/54/74/14/335547414.db2.gz UBDNERIEGXXGOH-CQSZACIVSA-N 0 3 267.372 3.815 10 0 CHAEHN C[C@@H](NCC(C)(C)C(F)(F)F)c1ccsc1 ZINC000381447724 336064074 /nfs/dbraw/zinc/06/40/74/336064074.db2.gz GHRHESNWSFCONR-MRVPVSSYSA-N 0 3 251.317 3.987 10 0 CHAEHN CCCNCc1nc(-c2c(F)cccc2F)cs1 ZINC000053294640 519965519 /nfs/dbraw/zinc/96/55/19/519965519.db2.gz PZWFQAPMZFTOTD-UHFFFAOYSA-N 0 3 268.332 3.588 10 0 CHAEHN CCCOc1ccc(CNC)c(OC[C@@H](C)CC)c1 ZINC000050423873 520363079 /nfs/dbraw/zinc/36/30/79/520363079.db2.gz IFIISCOKZPUFJG-ZDUSSCGKSA-N 0 3 265.397 3.620 10 0 CHAEHN CN[C@@H](Cc1ccncc1)c1cccc(Cl)c1Cl ZINC000055229147 522361934 /nfs/dbraw/zinc/36/19/34/522361934.db2.gz YHAJLTUWVRLJJD-ZDUSSCGKSA-N 0 3 281.186 3.892 10 0 CHAEHN CC(C)CCC[C@@H](C)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601257 519643275 /nfs/dbraw/zinc/64/32/75/519643275.db2.gz KBIDDHOBQLJGTF-KFWWJZLASA-N 0 3 251.414 3.787 10 0 CHAEHN CC(C)N1C[C@@H](c2ccccc2)NCc2ccccc21 ZINC000062662955 519694861 /nfs/dbraw/zinc/69/48/61/519694861.db2.gz FKPBONZBCSNGRA-KRWDZBQOSA-N 0 3 266.388 3.746 10 0 CHAEHN CCCN[C@@H](Cc1ccccn1)c1ccccc1F ZINC000052898013 520013664 /nfs/dbraw/zinc/01/36/64/520013664.db2.gz FZHIPFYOPLUPRA-INIZCTEOSA-N 0 3 258.340 3.504 10 0 CHAEHN CCN[C@@H](C)c1nc2cc(Cl)ccc2n1C(C)C ZINC000062366501 520080389 /nfs/dbraw/zinc/08/03/89/520080389.db2.gz JLGKHGIBXXLAQV-JTQLQIEISA-N 0 3 265.788 3.941 10 0 CHAEHN CCCNc1nc2ccccc2cc1CN(C)CC ZINC000050812781 520189388 /nfs/dbraw/zinc/18/93/88/520189388.db2.gz ZHDWQOVDFXUOBA-UHFFFAOYSA-N 0 3 257.381 3.508 10 0 CHAEHN CCCCC[C@H](NC)c1cc(OC)c(OC)cc1F ZINC000061561167 520313689 /nfs/dbraw/zinc/31/36/89/520313689.db2.gz SGGFJYJVBFYGQK-ZDUSSCGKSA-N 0 3 269.360 3.684 10 0 CHAEHN CCCOc1ccc(-c2nc(CNCC)cs2)cc1 ZINC000052919553 520316459 /nfs/dbraw/zinc/31/64/59/520316459.db2.gz SYFDHYZCVPPLGX-UHFFFAOYSA-N 0 3 276.405 3.708 10 0 CHAEHN CCCOc1ccc(CNC)c(OC[C@H](C)CC)c1 ZINC000050423874 520363336 /nfs/dbraw/zinc/36/33/36/520363336.db2.gz IFIISCOKZPUFJG-CYBMUJFWSA-N 0 3 265.397 3.620 10 0 CHAEHN CCOc1ccc(C)cc1[C@H](N)c1ccc(C)cc1 ZINC000051598926 520927644 /nfs/dbraw/zinc/92/76/44/520927644.db2.gz AYPURGWMOFIELN-QGZVFWFLSA-N 0 3 255.361 3.750 10 0 CHAEHN CCCC[C@@H](CC)Cn1nc(C)c([C@@H](C)NC)c1C ZINC000054717973 521038275 /nfs/dbraw/zinc/03/82/75/521038275.db2.gz MVQMFIXVEWZEEG-IUODEOHRSA-N 0 3 265.445 3.997 10 0 CHAEHN CCC(C)(C)OCc1ccoc1CNCC(C)C ZINC000052630657 521359150 /nfs/dbraw/zinc/35/91/50/521359150.db2.gz GPKZNDPMGLWXIY-UHFFFAOYSA-N 0 3 253.386 3.730 10 0 CHAEHN CCCN(CC(F)(F)F)c1ncc([C@H](C)NCC)s1 ZINC000054906325 521586991 /nfs/dbraw/zinc/58/69/91/521586991.db2.gz ABKYJCYUOWHVCU-VIFPVBQESA-N 0 3 295.374 3.592 10 0 CHAEHN CNCc1cc(F)c(Oc2ccc(F)cc2)c(F)c1 ZINC000062720463 522114116 /nfs/dbraw/zinc/11/41/16/522114116.db2.gz USLGGYRQRVYQQJ-UHFFFAOYSA-N 0 3 267.250 3.616 10 0 CHAEHN CNCc1sc(N2CCCCCC2)nc1C(C)(C)C ZINC000054995643 522167476 /nfs/dbraw/zinc/16/74/76/522167476.db2.gz ZLNLIAAFYMJEPT-UHFFFAOYSA-N 0 3 281.469 3.540 10 0 CHAEHN CN[C@H](c1cccc(F)c1)c1ccc(F)c(Cl)c1 ZINC000062792334 522484226 /nfs/dbraw/zinc/48/42/26/522484226.db2.gz YQBGHSHWIIYGHX-CQSZACIVSA-N 0 3 267.706 3.927 10 0 CHAEHN CNc1ccc(Cl)c(CN(CC(C)C)CC(C)C)n1 ZINC000061631533 522621982 /nfs/dbraw/zinc/62/19/82/522621982.db2.gz WNELIMGRCWCBOQ-UHFFFAOYSA-N 0 3 283.847 3.891 10 0 CHAEHN CC[C@H]1CCCC[C@H]1OCc1cc(CNC)c(C)o1 ZINC000052621571 523065418 /nfs/dbraw/zinc/06/54/18/523065418.db2.gz VFRUDQGCLSGSPV-XJKSGUPXSA-N 0 3 265.397 3.793 10 0 CHAEHN CC[C@H]1CCCN(c2nc(C(C)(C)C)c(CN)s2)C1 ZINC000054997565 523093785 /nfs/dbraw/zinc/09/37/85/523093785.db2.gz AARNSYMAOJXLDR-NSHDSACASA-N 0 3 281.469 3.526 10 0 CHAEHN CCc1cc(OCc2occc2CNC)ccc1Cl ZINC000052699688 523841099 /nfs/dbraw/zinc/84/10/99/523841099.db2.gz YWMZKLSCGVIOIG-UHFFFAOYSA-N 0 3 279.767 3.794 10 0 CHAEHN COc1ccc(CNC(C)(C)C)c(OCC(C)C)c1 ZINC000062733091 524068335 /nfs/dbraw/zinc/06/83/35/524068335.db2.gz UYHIHJGOVZEKBD-UHFFFAOYSA-N 0 3 265.397 3.618 10 0 CHAEHN COc1cccc([C@@H](N)c2ccc(Cl)cc2F)c1 ZINC000062785932 524099489 /nfs/dbraw/zinc/09/94/89/524099489.db2.gz JZOBMQYGYYRJFC-CQSZACIVSA-N 0 3 265.715 3.536 10 0 CHAEHN Cc1cc(C)cc(C[C@@H](N)c2ccc(F)cc2F)c1 ZINC000055239224 524396496 /nfs/dbraw/zinc/39/64/96/524396496.db2.gz GBKSTIIORSPWBC-MRXNPFEDSA-N 0 3 261.315 3.824 10 0 CHAEHN Cc1ccccc1Cc1ncc(CNC(C)(C)C)s1 ZINC000052331550 525201720 /nfs/dbraw/zinc/20/17/20/525201720.db2.gz YPKYOBBHJYPVGI-UHFFFAOYSA-N 0 3 274.433 3.930 10 0 CHAEHN C[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000129437452 525512904 /nfs/dbraw/zinc/51/29/04/525512904.db2.gz XHJOZBZYELMWLV-NOZJJQNGSA-N 0 3 291.288 3.502 10 0 CHAEHN COc1cccc(N(C)c2ccc(Cl)cc2CN)c1 ZINC000052857666 526132062 /nfs/dbraw/zinc/13/20/62/526132062.db2.gz USNGKUJPTZQFKF-UHFFFAOYSA-N 0 3 276.767 3.575 10 0 CHAEHN Oc1ccc([C@H](NC2CCC2)c2ccccc2)cc1 ZINC000052207234 526353288 /nfs/dbraw/zinc/35/32/88/526353288.db2.gz YSJXZDRXRIGOEA-QGZVFWFLSA-N 0 3 253.345 3.624 10 0 CHAEHN N=C1CCCCN1c1ccccc1OC(F)(F)F ZINC000049584002 526839701 /nfs/dbraw/zinc/83/97/01/526839701.db2.gz ZLMKXKRPTLBQII-UHFFFAOYSA-N 0 3 258.243 3.553 10 0 CHAEHN Cc1nc(Cc2ccc(C)c(C)c2)sc1[C@H](C)N ZINC000061681761 526927264 /nfs/dbraw/zinc/92/72/64/526927264.db2.gz PQKMORWOGCJUFM-NSHDSACASA-N 0 3 260.406 3.679 10 0 CHAEHN NCc1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC000052858197 527248455 /nfs/dbraw/zinc/24/84/55/527248455.db2.gz QPSAGYSSVDZOHD-UHFFFAOYSA-N 0 3 251.688 3.730 10 0 CHAEHN NCc1cnc(C2(c3ccccc3)CCCCC2)s1 ZINC000062783009 527262171 /nfs/dbraw/zinc/26/21/71/527262171.db2.gz CIMDSBCRCBJQGI-UHFFFAOYSA-N 0 3 272.417 3.852 10 0 CHAEHN N[C@@H](c1ccccc1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000054682600 527338470 /nfs/dbraw/zinc/33/84/70/527338470.db2.gz HSMFVAXDTPGGAJ-KBPBESRZSA-N 0 3 282.170 3.727 10 0 CHAEHN N[C@@H]1CCCc2nc(-c3c(F)cccc3Cl)sc21 ZINC000052903484 527361649 /nfs/dbraw/zinc/36/16/49/527361649.db2.gz MTVJYDOAVLJQGU-SECBINFHSA-N 0 3 282.771 3.939 10 0 CHAEHN OC[C@H](N[C@H](c1cccs1)C1CC1)c1ccccc1 ZINC000063000827 527610386 /nfs/dbraw/zinc/61/03/86/527610386.db2.gz KIEUTMFNYYHAPE-HOCLYGCPSA-N 0 3 273.401 3.522 10 0 CHAEHN N[C@@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000001665987 560183539 /nfs/dbraw/zinc/18/35/39/560183539.db2.gz ILMMSBJXXQIEEM-UONOGXRCSA-N 0 3 282.170 3.727 10 0 in-vitro CHAEHN CCCN(CCC)Cc1cc(N)ccc1Br ZINC000149890815 566905044 /nfs/dbraw/zinc/90/50/44/566905044.db2.gz FZASMWWFNFXSND-UHFFFAOYSA-N 0 3 285.229 3.653 10 0 CHAEHN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@H](C)O)s1 ZINC000036101564 566993470 /nfs/dbraw/zinc/99/34/70/566993470.db2.gz NOKHHCCRHIPJAM-LBPRGKRZSA-N 0 3 293.407 3.579 10 0 CHAEHN C[C@@H]1CCC[C@H](C)N1Cc1cc(N)ccc1Br ZINC000097814137 567073797 /nfs/dbraw/zinc/07/37/97/567073797.db2.gz ZOFMEQCFXWRAIX-PHIMTYICSA-N 0 3 297.240 3.794 10 0 CHAEHN CC1CCC(C)(N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000685961932 567210594 /nfs/dbraw/zinc/21/05/94/567210594.db2.gz YITQCQUFEYVOKG-UHFFFAOYSA-N 0 3 296.455 3.508 10 0 CHAEHN Clc1csc([C@@H]2NCCc3ccsc32)c1 ZINC000712513701 567850633 /nfs/dbraw/zinc/85/06/33/567850633.db2.gz UFPJDJDWICSDMH-JTQLQIEISA-N 0 3 255.795 3.698 10 0 CHAEHN CCCCCCNCc1nn(CC)nc1-c1ccccc1 ZINC000057353235 567894878 /nfs/dbraw/zinc/89/48/78/567894878.db2.gz CPVMRZZZDBNLNQ-UHFFFAOYSA-N 0 3 286.423 3.635 10 0 CHAEHN CCCn1nc(CNC(C)(C)CC)c(-c2ccccc2)n1 ZINC000057353319 567895136 /nfs/dbraw/zinc/89/51/36/567895136.db2.gz YMSFHCYPBPTKBC-UHFFFAOYSA-N 0 3 286.423 3.633 10 0 CHAEHN CNCc1cccc(OC)c1OCc1cccc(Cl)c1 ZINC000019777463 567944733 /nfs/dbraw/zinc/94/47/33/567944733.db2.gz SZQJSNYPOKCJHR-UHFFFAOYSA-N 0 3 291.778 3.647 10 0 CHAEHN CC(C)CN(Cc1ccc2c(c1)CCO2)Cc1ccccn1 ZINC000055342423 570242921 /nfs/dbraw/zinc/24/29/21/570242921.db2.gz GPYOZLGQRWFKBN-UHFFFAOYSA-N 0 3 296.414 3.675 10 0 CHAEHN CCc1nc(-c2ccc(OC)cc2)sc1CNC1CC1 ZINC000082424450 177998634 /nfs/dbraw/zinc/99/86/34/177998634.db2.gz RNGDSHRVKBPJRE-UHFFFAOYSA-N 0 3 288.416 3.633 10 0 CHAEHN CNCc1sc(Cc2ccc(Cl)cc2)nc1C1CC1 ZINC000082441636 178020979 /nfs/dbraw/zinc/02/09/79/178020979.db2.gz HXOBLIJLTTXFET-UHFFFAOYSA-N 0 3 292.835 3.984 10 0 CHAEHN CC(C)C[C@@H]1CN[C@@H](CC(C)C)CN1C(=O)OC(C)(C)C ZINC000095752835 185026167 /nfs/dbraw/zinc/02/61/67/185026167.db2.gz NBBAXAIIMROXQY-LSDHHAIUSA-N 0 3 298.471 3.656 10 0 CHAEHN Cc1c(CNC(C)C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000082661270 178148326 /nfs/dbraw/zinc/14/83/26/178148326.db2.gz YUFOCVROECGWOO-UHFFFAOYSA-N 0 3 297.324 3.698 10 0 CHAEHN Cc1cc([C@H](N)Cc2ccc(Br)cc2)co1 ZINC000096978590 185145712 /nfs/dbraw/zinc/14/57/12/185145712.db2.gz YIJHQBTWQNJXNU-CYBMUJFWSA-N 0 3 280.165 3.593 10 0 CHAEHN CCN[C@H](Cc1ccc(Cl)cc1)c1cccc(C)n1 ZINC000104160883 185914758 /nfs/dbraw/zinc/91/47/58/185914758.db2.gz HXXKGGXVQOUZKY-MRXNPFEDSA-N 0 3 274.795 3.937 10 0 CHAEHN C[C@H](N)c1nc2c(cccc2Cl)n1-c1ccccc1 ZINC000091692136 180228173 /nfs/dbraw/zinc/22/81/73/180228173.db2.gz ORCRDCMKMNJIAN-JTQLQIEISA-N 0 3 271.751 3.699 10 0 CHAEHN COc1ccc2nc(C)cc(NCc3ccco3)c2c1 ZINC000005027462 170057788 /nfs/dbraw/zinc/05/77/88/170057788.db2.gz PDSNDPUTEMFAME-UHFFFAOYSA-N 0 3 268.316 3.757 10 0 CHAEHN C[C@H]([C@H](O)c1ccccc1)N(C)C/C=C/c1ccccc1 ZINC000005751636 170137234 /nfs/dbraw/zinc/13/72/34/170137234.db2.gz YMJMZFPZRVMNCH-ZLXMSIQFSA-N 0 3 281.399 3.754 10 0 in-man CHAEHN CCCC[C@@H](CC)CNc1cccc2c1C(=N)NC2=N ZINC000008699938 170346267 /nfs/dbraw/zinc/34/62/67/170346267.db2.gz WXFDHSMDCITFSL-LLVKDONJSA-N 0 3 272.396 3.569 10 0 CHAEHN C[C@@H]1C[C@@H](C)CN(Cc2ccc(Br)cc2)C1 ZINC000009997125 170393483 /nfs/dbraw/zinc/39/34/83/170393483.db2.gz WEBLDUWBROMTIX-VXGBXAGGSA-N 0 3 282.225 3.927 10 0 CHAEHN C[C@H]1C[C@H](C)CN(Cc2ccc(Br)cc2)C1 ZINC000009997124 170393644 /nfs/dbraw/zinc/39/36/44/170393644.db2.gz WEBLDUWBROMTIX-RYUDHWBXSA-N 0 3 282.225 3.927 10 0 CHAEHN COc1ccc(OC)c([C@@H](N)Cc2cccc(Cl)c2)c1 ZINC000011604073 170426114 /nfs/dbraw/zinc/42/61/14/170426114.db2.gz YOUAYLQXJCQFGK-HNNXBMFYSA-N 0 3 291.778 3.600 10 0 CHAEHN CCCCN(CC)[C@H](CN)c1c(F)cccc1Cl ZINC000019803593 170873084 /nfs/dbraw/zinc/87/30/84/170873084.db2.gz YQPFMZVIMGGHLP-CYBMUJFWSA-N 0 3 272.795 3.601 10 0 CHAEHN C[C@@H](N[C@H]1CCc2ccccc21)c1ccc(O)cc1 ZINC000020129730 171017844 /nfs/dbraw/zinc/01/78/44/171017844.db2.gz DWPXNPBSEQWLFF-PXAZEXFGSA-N 0 3 253.345 3.730 10 0 CHAEHN CCOc1cc(CN[C@H]2CCc3ccccc32)ccc1O ZINC000020129663 171017880 /nfs/dbraw/zinc/01/78/80/171017880.db2.gz ZUTPEMPZRPYVPG-INIZCTEOSA-N 0 3 283.371 3.568 10 0 CHAEHN C[C@H](N[C@@H](CN(C)C)c1ccccc1)c1cccc(F)c1 ZINC000020129413 171018274 /nfs/dbraw/zinc/01/82/74/171018274.db2.gz PJAKJJLRVNLEOH-KSSFIOAISA-N 0 3 286.394 3.779 10 0 CHAEHN FC(F)(F)Sc1ccc(CNCc2ccncc2)cc1 ZINC000020139754 171026982 /nfs/dbraw/zinc/02/69/82/171026982.db2.gz SXJOZWSWCGUBQW-UHFFFAOYSA-N 0 3 298.333 3.983 10 0 CHAEHN COc1cc([C@@H](C)N[C@@H](C)c2cccc(F)c2)ccc1O ZINC000020147944 171035047 /nfs/dbraw/zinc/03/50/47/171035047.db2.gz AIJMOAUIEBYTCH-NWDGAFQWSA-N 0 3 289.350 3.952 10 0 CHAEHN COc1cc([C@H](C)N[C@@H](C)c2cccc(F)c2)ccc1O ZINC000020147945 171035206 /nfs/dbraw/zinc/03/52/06/171035206.db2.gz AIJMOAUIEBYTCH-RYUDHWBXSA-N 0 3 289.350 3.952 10 0 CHAEHN C=COCCCNCc1ccc(Cl)cc1Cl ZINC000020197129 171061183 /nfs/dbraw/zinc/06/11/83/171061183.db2.gz BCNRNIXJAFIESI-UHFFFAOYSA-N 0 3 260.164 3.633 10 0 CHAEHN C=COCCCN[C@@H](c1ccco1)c1ccccc1 ZINC000020197488 171061890 /nfs/dbraw/zinc/06/18/90/171061890.db2.gz KZRFRILFQFUDJF-MRXNPFEDSA-N 0 3 257.333 3.509 10 0 CHAEHN Cc1cccc(CN(C)[C@@H](CN)c2cccc(Cl)c2)c1 ZINC000020225950 171089866 /nfs/dbraw/zinc/08/98/66/171089866.db2.gz WLLCJJIUVZFZDQ-KRWDZBQOSA-N 0 3 288.822 3.780 10 0 CHAEHN N[C@@H](Cc1nc2ccccc2s1)c1ccccc1F ZINC000020428555 171194011 /nfs/dbraw/zinc/19/40/11/171194011.db2.gz OXXKREYSFVTPCR-LBPRGKRZSA-N 0 3 272.348 3.678 10 0 CHAEHN N=C1CCCN1c1cc(C(F)(F)F)ccc1Cl ZINC000020443810 171205564 /nfs/dbraw/zinc/20/55/64/171205564.db2.gz CQRCKMSOFCJTEF-UHFFFAOYSA-N 0 3 262.662 3.936 10 0 CHAEHN C[C@H](Oc1cccc(Cl)c1CN)c1ccccc1 ZINC000020470009 171211776 /nfs/dbraw/zinc/21/17/76/171211776.db2.gz ITQLHADTZPKQGO-NSHDSACASA-N 0 3 261.752 3.939 10 0 CHAEHN COc1ccc(F)cc1[C@H](N)CC1CCCCC1 ZINC000020470423 171212202 /nfs/dbraw/zinc/21/22/02/171212202.db2.gz FWIWMMVRIXHVCR-CQSZACIVSA-N 0 3 251.345 3.805 10 0 CHAEHN COc1ccc([C@@H](N)c2ccccc2F)cc1Cl ZINC000020521856 171235004 /nfs/dbraw/zinc/23/50/04/171235004.db2.gz XVLGIDFMPYVQKF-CQSZACIVSA-N 0 3 265.715 3.536 10 0 CHAEHN CCOc1ccc(O[C@@H](C)[C@@H](N)c2ccc(C)cc2)cc1 ZINC000020546340 171244195 /nfs/dbraw/zinc/24/41/95/171244195.db2.gz XOSPYPCUESVAEM-KBXCAEBGSA-N 0 3 285.387 3.861 10 0 CHAEHN Cc1ccc(O[C@@H]2CCCc3ccccc3[C@@H]2N)cc1 ZINC000020547936 171245469 /nfs/dbraw/zinc/24/54/69/171245469.db2.gz BZHHXCZEVPQNKY-MSOLQXFVSA-N 0 3 267.372 3.779 10 0 CHAEHN Fc1cc(F)cc(N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000020595919 171264535 /nfs/dbraw/zinc/26/45/35/171264535.db2.gz GJXMBGNPWTXBSO-INIZCTEOSA-N 0 3 288.341 3.651 10 0 CHAEHN Fc1ccc(N[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000020595833 171264651 /nfs/dbraw/zinc/26/46/51/171264651.db2.gz CPLNWYFTZHJHNZ-HNNXBMFYSA-N 0 3 288.341 3.651 10 0 CHAEHN CC[C@H](CO)NCc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000020876577 171277765 /nfs/dbraw/zinc/27/77/65/171277765.db2.gz LPUSHFRCQSZHSV-CYBMUJFWSA-N 0 3 293.794 3.769 10 0 CHAEHN CCc1cccc(O[C@H](C)[C@@H](N)c2ccccc2)c1 ZINC000021505304 171307737 /nfs/dbraw/zinc/30/77/37/171307737.db2.gz CJDNCDVQHIGPQM-CXAGYDPISA-N 0 3 255.361 3.716 10 0 CHAEHN C[C@@H](N)c1c(F)cccc1N1CCCCCCC1 ZINC000021804928 171326956 /nfs/dbraw/zinc/32/69/56/171326956.db2.gz HFNWUVMFFGVJCX-GFCCVEGCSA-N 0 3 250.361 3.616 10 0 CHAEHN CCc1ccc([C@H](N)CO[C@@H]2CCCC[C@@H]2C)cc1 ZINC000021814532 171331661 /nfs/dbraw/zinc/33/16/61/171331661.db2.gz ULABOQNCGYBRSH-IAOVAPTHSA-N 0 3 261.409 3.844 10 0 CHAEHN NCc1cccnc1Oc1ccccc1-c1ccccc1 ZINC000022217089 171375858 /nfs/dbraw/zinc/37/58/58/171375858.db2.gz CDZKKZMANRDHRN-UHFFFAOYSA-N 0 3 276.339 4.000 10 0 CHAEHN Cc1ccc([C@H](N)[C@H](C)Oc2ccccc2F)cc1 ZINC000022564836 171392158 /nfs/dbraw/zinc/39/21/58/171392158.db2.gz WVEDLAYFARMKEF-BLLLJJGKSA-N 0 3 259.324 3.601 10 0 CHAEHN CCOc1ccccc1O[C@H](C)[C@H](N)c1ccccc1 ZINC000023069882 171410249 /nfs/dbraw/zinc/41/02/49/171410249.db2.gz IIMMMWSXQDMVRY-DYVFJYSZSA-N 0 3 271.360 3.553 10 0 CHAEHN Cc1ccc(Cl)cc1NC(=O)CNC1CCC(C)CC1 ZINC000035159781 172017519 /nfs/dbraw/zinc/01/75/19/172017519.db2.gz YRNPFIJQNANWFG-UHFFFAOYSA-N 0 3 294.826 3.755 10 0 CHAEHN CCc1ccc([C@H]2CNC[C@@H](c3ccccc3)O2)cc1 ZINC000035285535 172103520 /nfs/dbraw/zinc/10/35/20/172103520.db2.gz DOJAXGUFIDYWLG-ZWKOTPCHSA-N 0 3 267.372 3.651 10 0 CHAEHN C[C@H](NC1=N[C@@H](C)CS1)C12CC3CC(CC(C3)C1)C2 ZINC000035294339 172106050 /nfs/dbraw/zinc/10/60/50/172106050.db2.gz ONPQBSUYNVVFAK-AJNSSVRESA-N 0 3 278.465 3.672 10 0 CHAEHN N[C@@H](c1ccc(Br)s1)c1ccccc1 ZINC000035379514 172162364 /nfs/dbraw/zinc/16/23/64/172162364.db2.gz RKXZKGDIGFWZQI-LLVKDONJSA-N 0 3 268.179 3.559 10 0 CHAEHN CN[C@@H](c1ccccc1)c1ccc(OC)c(Cl)c1 ZINC000035461733 172209737 /nfs/dbraw/zinc/20/97/37/172209737.db2.gz LIUSDORZMIXBEI-HNNXBMFYSA-N 0 3 261.752 3.657 10 0 CHAEHN CN[C@@H](Cc1ccc(C)cc1)c1ccc(F)cc1F ZINC000035491589 172225360 /nfs/dbraw/zinc/22/53/60/172225360.db2.gz TXEDJQFKLXQPMT-INIZCTEOSA-N 0 3 261.315 3.776 10 0 CHAEHN CCCC[C@@H](NC)c1cc(OC)c(OC)cc1Cl ZINC000035501207 172235397 /nfs/dbraw/zinc/23/53/97/172235397.db2.gz DTKYVWXIQBGQJC-GFCCVEGCSA-N 0 3 271.788 3.808 10 0 CHAEHN CN[C@H](c1sccc1C)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035504387 172238494 /nfs/dbraw/zinc/23/84/94/172238494.db2.gz DIUBXBPLLQZGAH-ABAIWWIYSA-N 0 3 273.401 3.689 10 0 CHAEHN CCN[C@H](CC(F)(F)F)c1ccc(OC)c(Cl)c1 ZINC000035538704 172244909 /nfs/dbraw/zinc/24/49/09/172244909.db2.gz XKRWWGIWVSNMIN-SNVBAGLBSA-N 0 3 281.705 3.952 10 0 CHAEHN CCN[C@H](c1ccoc1C)c1ccc(OCC)cc1 ZINC000035541211 172249176 /nfs/dbraw/zinc/24/91/76/172249176.db2.gz BBFBGVSHAHVSBJ-INIZCTEOSA-N 0 3 259.349 3.686 10 0 CHAEHN CCN[C@@H](c1cccs1)c1ccc(C)c(OC)c1 ZINC000035545436 172253667 /nfs/dbraw/zinc/25/36/67/172253667.db2.gz HQNDFFRUASMCJI-OAHLLOKOSA-N 0 3 261.390 3.764 10 0 CHAEHN CCCN[C@H](c1ccsc1)c1ccc(OC)cc1 ZINC000035576233 172272539 /nfs/dbraw/zinc/27/25/39/172272539.db2.gz KYHLFOJSGFWZAF-HNNXBMFYSA-N 0 3 261.390 3.846 10 0 CHAEHN CCCN[C@@H](Cc1ncc[nH]1)c1ccc(Cl)cc1Cl ZINC000035586350 172285579 /nfs/dbraw/zinc/28/55/79/172285579.db2.gz ABUVRTFLDLGMBS-ZDUSSCGKSA-N 0 3 298.217 4.000 10 0 CHAEHN Cc1ccc(C(C)(C)C)c2c1[C@H](NC1CC1)CCO2 ZINC000035653197 172329492 /nfs/dbraw/zinc/32/94/92/172329492.db2.gz HPAMWPTUZCCIQK-CQSZACIVSA-N 0 3 259.393 3.868 10 0 CHAEHN Cc1cc2c(c(C)c1Cl)[C@@H](NC1CC1)CCO2 ZINC000035657754 172332554 /nfs/dbraw/zinc/33/25/54/172332554.db2.gz GPIMCVWPRKUAIS-NSHDSACASA-N 0 3 251.757 3.532 10 0 CHAEHN CCCN[C@@H]1C[C@H](C)Oc2ccc(Br)cc21 ZINC000035751469 172396706 /nfs/dbraw/zinc/39/67/06/172396706.db2.gz MYNVDIAFAAVDNY-JOYOIKCWSA-N 0 3 284.197 3.661 10 0 CHAEHN CC[C@H](C)[C@H](N)c1nc(-c2ccc(C)cc2)c(C)[nH]1 ZINC000036877736 172773381 /nfs/dbraw/zinc/77/33/81/172773381.db2.gz NSARTJZQMSPDTI-FZMZJTMJSA-N 0 3 257.381 3.739 10 0 CHAEHN C[C@H](N)c1ccc(-c2cccc3cccnc32)s1 ZINC000036927589 172809748 /nfs/dbraw/zinc/80/97/48/172809748.db2.gz PYIDYRTVSXIJEF-JTQLQIEISA-N 0 3 254.358 3.983 10 0 CHAEHN CCc1ccccc1Oc1ccc(F)cc1CNC ZINC000037238412 173055309 /nfs/dbraw/zinc/05/53/09/173055309.db2.gz UXSFIMQPKNWNKI-UHFFFAOYSA-N 0 3 259.324 3.900 10 0 CHAEHN CN[C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000037239433 173056169 /nfs/dbraw/zinc/05/61/69/173056169.db2.gz XUZBBRVPQFWYNJ-CQSZACIVSA-N 0 3 268.385 3.800 10 0 CHAEHN CN(Cc1cc(N)ccc1Cl)C1CCCCC1 ZINC000037403019 173179561 /nfs/dbraw/zinc/17/95/61/173179561.db2.gz ZKWRGRVBJGQPSE-UHFFFAOYSA-N 0 3 252.789 3.687 10 0 CHAEHN CCCC[C@@H](N)c1nc2cc(F)ccc2n1C(C)C ZINC000037439688 173209703 /nfs/dbraw/zinc/20/97/03/173209703.db2.gz WVNUIWBOTOMMJU-GFCCVEGCSA-N 0 3 263.360 3.946 10 0 CHAEHN Cc1ccccc1[C@@](C)(N)c1ccccc1Br ZINC000037529773 173253067 /nfs/dbraw/zinc/25/30/67/173253067.db2.gz DIEJDFGGMFXZQY-OAHLLOKOSA-N 0 3 290.204 3.980 10 0 CHAEHN CCCN[C@H](Cc1ccccc1F)c1ccccn1 ZINC000037534546 173254593 /nfs/dbraw/zinc/25/45/93/173254593.db2.gz LLXBYHHNSOUJLV-MRXNPFEDSA-N 0 3 258.340 3.504 10 0 CHAEHN CC[C@H](C)NCc1nc2c(cccc2F)n1C(C)C ZINC000037600072 173553691 /nfs/dbraw/zinc/55/36/91/173553691.db2.gz XMOPTZFNUVOGIP-NSHDSACASA-N 0 3 263.360 3.644 10 0 CHAEHN Cc1ccc([C@@H](C)N2CCc3c(N)cccc3C2)cc1 ZINC000038032474 174028177 /nfs/dbraw/zinc/02/81/77/174028177.db2.gz AQZYOIGUDSAARM-CQSZACIVSA-N 0 3 266.388 3.697 10 0 CHAEHN CCc1ccc([C@@H](C)N2CCc3c(N)cccc3C2)cc1 ZINC000038032689 174028970 /nfs/dbraw/zinc/02/89/70/174028970.db2.gz FEGSDZAIHKEKQP-CQSZACIVSA-N 0 3 280.415 3.951 10 0 CHAEHN CCNCc1ccc(-c2ccccc2OC)cc1F ZINC000038070459 174081455 /nfs/dbraw/zinc/08/14/55/174081455.db2.gz ZHPGVFBALRKJHM-UHFFFAOYSA-N 0 3 259.324 3.611 10 0 CHAEHN CCCc1ccc(-c2ccc(OC)c(CN)c2)cc1 ZINC000038072514 174082931 /nfs/dbraw/zinc/08/29/31/174082931.db2.gz WPAABRMJYHVIKE-UHFFFAOYSA-N 0 3 255.361 3.773 10 0 CHAEHN CCN[C@H](Cc1cc(C)cc(C)c1)c1ccccn1 ZINC000038077395 174087389 /nfs/dbraw/zinc/08/73/89/174087389.db2.gz SQXDGIGKCGGESN-QGZVFWFLSA-N 0 3 254.377 3.592 10 0 CHAEHN C[C@H](CN[C@@H](C)c1c(Cl)ccc(F)c1Cl)N(C)C ZINC000038088302 174101223 /nfs/dbraw/zinc/10/12/23/174101223.db2.gz WMQZFELNNOMYDY-BDAKNGLRSA-N 0 3 293.213 3.733 10 0 CHAEHN Cc1csc(CNC2CC(c3cccc(C)c3)C2)n1 ZINC000038090970 174104561 /nfs/dbraw/zinc/10/45/61/174104561.db2.gz DVWKZCSUDIUDPE-UHFFFAOYSA-N 0 3 272.417 3.796 10 0 CHAEHN C[C@H](O[C@H]1CCC[C@@H](C)C1)[C@H](N)c1ccc(F)cc1 ZINC000040177316 174202006 /nfs/dbraw/zinc/20/20/06/174202006.db2.gz FVLGVLKCSOIUGD-KNPMLCFXSA-N 0 3 265.372 3.809 10 0 CHAEHN CCNCc1csc(-c2ccccc2Cl)n1 ZINC000040414563 174255420 /nfs/dbraw/zinc/25/54/20/174255420.db2.gz OFZVSBVCHAFPJF-UHFFFAOYSA-N 0 3 252.770 3.573 10 0 CHAEHN C[C@H](NCc1cscn1)C12CC3CC(CC(C3)C1)C2 ZINC000040420465 174257429 /nfs/dbraw/zinc/25/74/29/174257429.db2.gz XANCHPRLXPYKAB-IKMFHRHGSA-N 0 3 276.449 3.838 10 0 CHAEHN Cc1cc(C)c([C@H](O)CN(C)Cc2ccccc2)c(C)c1 ZINC000044123449 175143524 /nfs/dbraw/zinc/14/35/24/175143524.db2.gz STAHWWAVXSOOAV-GOSISDBHSA-N 0 3 283.415 3.777 10 0 CHAEHN Cn1cc(CNCc2cccs2)c2ccccc21 ZINC000045944988 175387548 /nfs/dbraw/zinc/38/75/48/175387548.db2.gz BEEXVAJPFXPHAP-UHFFFAOYSA-N 0 3 256.374 3.530 10 0 CHAEHN C[C@H](N)c1c(F)cccc1Oc1cc(F)ccc1F ZINC000071167888 176049378 /nfs/dbraw/zinc/04/93/78/176049378.db2.gz PGLYRDRCOSMJMM-QMMMGPOBSA-N 0 3 267.250 3.916 10 0 CHAEHN CNCc1cc(F)ccc1Oc1cc(F)ccc1F ZINC000071168100 176049390 /nfs/dbraw/zinc/04/93/90/176049390.db2.gz ZNQTZHPQZUTLEI-UHFFFAOYSA-N 0 3 267.250 3.616 10 0 CHAEHN C[C@@H](Cc1cccs1)NC1=NC2(CCCC2)CS1 ZINC000071271497 176104410 /nfs/dbraw/zinc/10/44/10/176104410.db2.gz MQHLTQYPNLNYOR-NSHDSACASA-N 0 3 280.462 3.684 10 0 CHAEHN CN1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072357512 176376149 /nfs/dbraw/zinc/37/61/49/176376149.db2.gz BAFVYKRDRIOISR-KRWDZBQOSA-N 0 3 270.351 3.578 10 0 CHAEHN CC(C)Oc1ccc(-c2nc([C@@H](C)N)cs2)cc1 ZINC000076784680 177092439 /nfs/dbraw/zinc/09/24/39/177092439.db2.gz ZIODYRUAMPHPBL-SNVBAGLBSA-N 0 3 262.378 3.617 10 0 CHAEHN C[C@@H](N)c1csc(-c2ccccc2C(F)(F)F)n1 ZINC000076784724 177092475 /nfs/dbraw/zinc/09/24/75/177092475.db2.gz HWTFHLUJIXWYAQ-SSDOTTSWSA-N 0 3 272.295 3.849 10 0 CHAEHN C[C@H](N)c1csc(-c2ccccc2C(F)(F)F)n1 ZINC000076784722 177092501 /nfs/dbraw/zinc/09/25/01/177092501.db2.gz HWTFHLUJIXWYAQ-ZETCQYMHSA-N 0 3 272.295 3.849 10 0 CHAEHN COc1ccc([C@@H](N)c2c(C)oc(C)c2C)cc1C ZINC000077088677 177212001 /nfs/dbraw/zinc/21/20/01/177212001.db2.gz WZRAFHOACRBEPG-MRXNPFEDSA-N 0 3 259.349 3.570 10 0 CHAEHN C[C@H](COCc1ccccc1)N[C@@H]1CCCc2occc21 ZINC000192910313 227382604 /nfs/dbraw/zinc/38/26/04/227382604.db2.gz APNIRTZUFKKHCJ-RHSMWYFYSA-N 0 3 285.387 3.852 10 0 CHAEHN N[C@H](CC(=O)Nc1ccc(Cl)cc1F)c1ccccc1 ZINC000037029121 260063458 /nfs/dbraw/zinc/06/34/58/260063458.db2.gz FUMXUTRZTHJINS-CYBMUJFWSA-N 0 3 292.741 3.508 10 0 CHAEHN CCCC[C@H](CC)CN[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037219621 260075314 /nfs/dbraw/zinc/07/53/14/260075314.db2.gz YFBJQFMMDBSJOZ-GOEBONIOSA-N 0 3 288.435 3.900 10 0 CHAEHN CCOc1ccc2nc(Nc3ccccc3)[nH]c2c1 ZINC000026474147 260131086 /nfs/dbraw/zinc/13/10/86/260131086.db2.gz GGCQYTXSFGIAAX-UHFFFAOYSA-N 0 3 253.305 3.705 10 0 CHAEHN OC[C@@H]1CCCC[C@@H]1NCc1cc(Cl)sc1Cl ZINC000312600402 260173057 /nfs/dbraw/zinc/17/30/57/260173057.db2.gz KRMCYHKYFKNQFQ-WPRPVWTQSA-N 0 3 294.247 3.696 10 0 CHAEHN CCn1cccc1CN[C@@H]1CCSc2ccccc21 ZINC000091024995 260265050 /nfs/dbraw/zinc/26/50/50/260265050.db2.gz CQOXAQNBPBZBPS-OAHLLOKOSA-N 0 3 272.417 3.835 10 0 CHAEHN COC[C@@H](N[C@@H]1CC(C)(C)Oc2ccccc21)C(C)C ZINC000128972776 260380444 /nfs/dbraw/zinc/38/04/44/260380444.db2.gz LUQPBNAIWDRGRK-HUUCEWRRSA-N 0 3 277.408 3.549 10 0 CHAEHN CC[C@H](NCc1ccc(C(=O)OC)cc1)c1cccs1 ZINC000049528964 260662843 /nfs/dbraw/zinc/66/28/43/260662843.db2.gz REMPEBYIIYWRJO-AWEZNQCLSA-N 0 3 289.400 3.776 10 0 CHAEHN Cc1cnn([C@H]2CCCN(Cc3cc(C)cc(C)c3)C2)c1 ZINC000106220013 261323605 /nfs/dbraw/zinc/32/36/05/261323605.db2.gz DCVWXFUOWRHKHY-SFHVURJKSA-N 0 3 283.419 3.645 10 0 CHAEHN Cc1ccc([C@@H](C)N[C@H](C)COCc2ccccc2)o1 ZINC000178066522 261375739 /nfs/dbraw/zinc/37/57/39/261375739.db2.gz VYGMXBGBAYRGGF-UKRRQHHQSA-N 0 3 273.376 3.844 10 0 CHAEHN COc1cccc([C@@H](C)N[C@@H](CN(C)C)c2ccccc2)c1 ZINC000120423004 262194798 /nfs/dbraw/zinc/19/47/98/262194798.db2.gz BJYIBGHREVFTAS-BEFAXECRSA-N 0 3 298.430 3.649 10 0 CHAEHN Cc1cc(C)cc(CN[C@H](C)COCc2ccccc2)c1 ZINC000390585392 262223756 /nfs/dbraw/zinc/22/37/56/262223756.db2.gz LOIGQXATDFJADF-QGZVFWFLSA-N 0 3 283.415 3.998 10 0 CHAEHN C[C@@H]1CC[C@@H](NCc2cncs2)c2ccccc21 ZINC000132251513 264386713 /nfs/dbraw/zinc/38/67/13/264386713.db2.gz OQLZCTFQFKKMQT-IAQYHMDHSA-N 0 3 258.390 3.871 10 0 CHAEHN c1cc2c(o1)CCC[C@H]2NCc1ccnc2ccccc12 ZINC000111763485 328377121 /nfs/dbraw/zinc/37/71/21/328377121.db2.gz GHRIYECJRNAVPC-QGZVFWFLSA-N 0 3 278.355 3.995 10 0 CHAEHN CCCC[C@H](N)C(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000037619870 326857495 /nfs/dbraw/zinc/85/74/95/326857495.db2.gz YTFXEILMUVFJJE-PBHICJAKSA-N 0 3 290.451 3.580 10 0 CHAEHN C[C@@H](c1ccc(F)cc1)N1CC[C@H](CNc2ccccn2)C1 ZINC000171640848 329075056 /nfs/dbraw/zinc/07/50/56/329075056.db2.gz QJMLLXXZYNPHJG-LSDHHAIUSA-N 0 3 299.393 3.716 10 0 CHAEHN Cc1csc(C2CCN([C@@H]3C=CCCC3)CC2)n1 ZINC000171735743 329079774 /nfs/dbraw/zinc/07/97/74/329079774.db2.gz KFMXUESIFWXBDD-CQSZACIVSA-N 0 3 262.422 3.740 10 0 CHAEHN Cc1cnn([C@H]2CCCN(Cc3ccc4c(c3)CCC4)C2)c1 ZINC000172290245 329084476 /nfs/dbraw/zinc/08/44/76/329084476.db2.gz PKFOLQQNVGCWRY-IBGZPJMESA-N 0 3 295.430 3.517 10 0 CHAEHN COCCC[C@H](C)N[C@@H](c1ccccc1)c1cccnc1 ZINC000178612444 329201388 /nfs/dbraw/zinc/20/13/88/329201388.db2.gz VCRICXUQRSJHMC-YJBOKZPZSA-N 0 3 284.403 3.576 10 0 CHAEHN CC(C)c1ccc([C@@H](C)N2CCC(n3cncn3)CC2)cc1 ZINC000181650587 329235435 /nfs/dbraw/zinc/23/54/35/329235435.db2.gz DVJXDMUOKHWUTO-OAHLLOKOSA-N 0 3 298.434 3.800 10 0 CHAEHN Cc1csc([C@H]2CCCN(Cc3cncc(C)c3)C2)n1 ZINC000189830857 329389467 /nfs/dbraw/zinc/38/94/67/329389467.db2.gz URVPLUNGJUVTEZ-HNNXBMFYSA-N 0 3 287.432 3.535 10 0 CHAEHN CO[C@H](C)[C@H](C)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000191649639 329416228 /nfs/dbraw/zinc/41/62/28/329416228.db2.gz RQDWYLPIKIMVJF-LZWOXQAQSA-N 0 3 289.419 3.836 10 0 CHAEHN CCN[C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000048625082 329628299 /nfs/dbraw/zinc/62/82/99/329628299.db2.gz KRRBIKZEYBOOLZ-TVQRCGJNSA-N 0 3 274.191 3.681 10 0 CHAEHN C[C@@H]1C[C@H]1N[C@H]1CCCOc2c(Cl)cccc21 ZINC000247015785 329874520 /nfs/dbraw/zinc/87/45/20/329874520.db2.gz MOOXBULDCJUJOV-JIMOISOXSA-N 0 3 251.757 3.552 10 0 CHAEHN CC[C@H](N[C@@H]1CCCC[C@H]1CO)c1ccc(F)cc1F ZINC000247977576 329886759 /nfs/dbraw/zinc/88/67/59/329886759.db2.gz HZLOADVEIJTMIT-KNXALSJPSA-N 0 3 283.362 3.557 10 0 CHAEHN CO[C@@H]1CC[C@@H](N[C@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000249024505 329903703 /nfs/dbraw/zinc/90/37/03/329903703.db2.gz KRLHSJABCCYNOE-NFAWXSAZSA-N 0 3 293.382 3.585 10 0 CHAEHN CCOC(=O)CCN[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000045686343 330348646 /nfs/dbraw/zinc/34/86/46/330348646.db2.gz PWCMYTRIUWXHNR-ZDUSSCGKSA-N 0 3 277.408 3.588 10 0 CHAEHN CCCCNC(=O)[C@H](C)N[C@@H](C)c1ccc2ccccc2c1 ZINC000119304701 330372551 /nfs/dbraw/zinc/37/25/51/330372551.db2.gz URPRSMCDQSNVPW-GJZGRUSLSA-N 0 3 298.430 3.795 10 0 CHAEHN COc1ccc([C@H](N[C@H]2C[C@H]2C)c2ccccc2)cc1 ZINC000249880920 334341800 /nfs/dbraw/zinc/34/18/00/334341800.db2.gz NJRUKFLQLJEMRZ-JEBQAFNWSA-N 0 3 267.372 3.783 10 0 CHAEHN Clc1ccc(CCN[C@@H]2COc3ccccc32)cc1 ZINC000308463466 333032022 /nfs/dbraw/zinc/03/20/22/333032022.db2.gz UKTOMLJYVDAIAM-OAHLLOKOSA-N 0 3 273.763 3.606 10 0 CHAEHN CC(C)c1ccc([C@H](C)N[C@H](C)C(=O)N(C)C(C)C)cc1 ZINC000177411559 333058443 /nfs/dbraw/zinc/05/84/43/333058443.db2.gz QVAUBUDCZOXRGG-LSDHHAIUSA-N 0 3 290.451 3.716 10 0 CHAEHN CCOC1CC(N[C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000224377738 333220034 /nfs/dbraw/zinc/22/00/34/333220034.db2.gz GMNWCFVTVBCFNK-GCVQQVDUSA-N 0 3 271.763 3.697 10 0 CHAEHN Cc1cccc([C@@H](C)NCc2cnn(C(C)C)c2)c1 ZINC000232785435 333342913 /nfs/dbraw/zinc/34/29/13/333342913.db2.gz VDYVRBZHFDIDME-CQSZACIVSA-N 0 3 257.381 3.623 10 0 CHAEHN C[C@H](NC[C@@H]1Cc2ccccc21)c1c(F)cccc1F ZINC000037565366 333534949 /nfs/dbraw/zinc/53/49/49/333534949.db2.gz YZJWFKRWIIXGFE-AAEUAGOBSA-N 0 3 273.326 3.955 10 0 CHAEHN Fc1ccccc1C1CC(N[C@H]2COc3ccccc32)C1 ZINC000070528459 333814930 /nfs/dbraw/zinc/81/49/30/333814930.db2.gz NLQNBTKASIEKFV-FVKWTLKZSA-N 0 3 283.346 3.795 10 0 CHAEHN CCN1CCC[C@H](N[C@H](C)c2ccc(Cl)s2)C1 ZINC000249612940 334338155 /nfs/dbraw/zinc/33/81/55/334338155.db2.gz HEAVZBNUVITJCC-MNOVXSKESA-N 0 3 272.845 3.536 10 0 CHAEHN C[C@@H]1C[C@@H]1N[C@H]1CCc2c1c(Br)ccc2F ZINC000252725592 334386701 /nfs/dbraw/zinc/38/67/01/334386701.db2.gz UWAGRUXSUKPGNX-MKCWBWRRSA-N 0 3 284.172 3.574 10 0 CHAEHN CC[C@H](N[C@@H]1CCCCC[C@H]1O)c1ccccc1F ZINC000252847148 334396631 /nfs/dbraw/zinc/39/66/31/334396631.db2.gz DAEUGAHWQKDZQQ-ARFHVFGLSA-N 0 3 265.372 3.560 10 0 CHAEHN C[C@H]1C[C@@H](NC[C@H](O)C(C)(C)C)c2ccsc2S1 ZINC000268869353 334717742 /nfs/dbraw/zinc/71/77/42/334717742.db2.gz IISWCORYOCJJDC-WCQGTBRESA-N 0 3 285.478 3.670 10 0 CHAEHN CCn1nc(C)c([C@@H](C)NCc2cc(C)cs2)c1C ZINC000344614169 335259486 /nfs/dbraw/zinc/25/94/86/335259486.db2.gz QINBQRCPTIOIFA-LLVKDONJSA-N 0 3 277.437 3.741 10 0 CHAEHN CC(C)[C@H](CN(C)C)N[C@H](C)c1ccccc1Cl ZINC000049195608 519814865 /nfs/dbraw/zinc/81/48/65/519814865.db2.gz CBLWCSKXTABELY-DOMZBBRYSA-N 0 3 268.832 3.577 10 0 CHAEHN CCCCCCOCc1csc(CNCCC)n1 ZINC000052631031 520101083 /nfs/dbraw/zinc/10/10/83/520101083.db2.gz NRDSFJGDGYCSSQ-UHFFFAOYSA-N 0 3 270.442 3.740 10 0 CHAEHN CCCCCN(C)Cc1csc(CNCC(C)C)n1 ZINC000052454567 520151174 /nfs/dbraw/zinc/15/11/74/520151174.db2.gz KJEMQQJVDAXZRA-UHFFFAOYSA-N 0 3 283.485 3.511 10 0 CHAEHN CN[C@@H](c1ccc(Cl)s1)c1ccc2c(c1)CCO2 ZINC000050892140 522367000 /nfs/dbraw/zinc/36/70/00/522367000.db2.gz IDHJPBZNZUEVSA-CQSZACIVSA-N 0 3 279.792 3.645 10 0 CHAEHN CC(C)CCN(C)c1nc2c(s1)[C@H](N)CC(C)(C)C2 ZINC000054898480 519651397 /nfs/dbraw/zinc/65/13/97/519651397.db2.gz HOWSIFFUAGHUJO-LLVKDONJSA-N 0 3 281.469 3.598 10 0 CHAEHN CC(C)N1C[C@H](c2ccccc2)NCc2ccccc21 ZINC000062662950 519697433 /nfs/dbraw/zinc/69/74/33/519697433.db2.gz FKPBONZBCSNGRA-QGZVFWFLSA-N 0 3 266.388 3.746 10 0 CHAEHN CC(C)[C@@H](CN(C)C)NCc1cccc(Cl)c1Cl ZINC000049196886 519793700 /nfs/dbraw/zinc/79/37/00/519793700.db2.gz AVDWUHBTPISYKB-CYBMUJFWSA-N 0 3 289.250 3.669 10 0 CHAEHN CC(C)[C@H](N)c1nc2c(s1)C[C@H](C(C)C)CC2 ZINC000054556844 519817915 /nfs/dbraw/zinc/81/79/15/519817915.db2.gz FIHWUUOEKCBLHZ-MFKMUULPSA-N 0 3 252.427 3.560 10 0 CHAEHN CC(C)c1ccc(Sc2ccnc(CN)c2)cc1 ZINC000061812284 519838963 /nfs/dbraw/zinc/83/89/63/519838963.db2.gz RAVXUEZNVUZKFM-UHFFFAOYSA-N 0 3 258.390 3.815 10 0 CHAEHN CC(C)c1ccc([C@@H](C)NCc2cccn2C)cc1 ZINC000049138017 519839181 /nfs/dbraw/zinc/83/91/81/519839181.db2.gz GWACWQBGTSNBMC-CQSZACIVSA-N 0 3 256.393 3.999 10 0 CHAEHN CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCCO1 ZINC000050961917 520109997 /nfs/dbraw/zinc/10/99/97/520109997.db2.gz WYQLKIZQVIFHRG-KBPBESRZSA-N 0 3 253.773 3.560 10 0 CHAEHN CCN[C@@H](c1cccs1)c1ccc2ncccc2c1 ZINC000061414458 520113914 /nfs/dbraw/zinc/11/39/14/520113914.db2.gz MLLACYRXUIWYAP-MRXNPFEDSA-N 0 3 268.385 3.995 10 0 CHAEHN CCN[C@H](C)c1ccc(F)cc1OC1CCCC1 ZINC000062747143 520177580 /nfs/dbraw/zinc/17/75/80/520177580.db2.gz IQYFECBSHUTMDR-LLVKDONJSA-N 0 3 251.345 3.818 10 0 CHAEHN CCCNc1ncccc1CN1CCC(CC)CC1 ZINC000052730672 520196716 /nfs/dbraw/zinc/19/67/16/520196716.db2.gz KYFBQQXYJPTIRO-UHFFFAOYSA-N 0 3 261.413 3.526 10 0 CHAEHN CCN[C@H](c1ccc(F)cc1)c1ccc(F)cc1C ZINC000055205284 520208364 /nfs/dbraw/zinc/20/83/64/520208364.db2.gz SHMXJMLNXIULNR-MRXNPFEDSA-N 0 3 261.315 3.972 10 0 CHAEHN CC[C@H](C)OCc1cc(CNCC(C)C)oc1C ZINC000052669282 521754953 /nfs/dbraw/zinc/75/49/53/521754953.db2.gz XQCLMXGSNULZKK-LBPRGKRZSA-N 0 3 253.386 3.649 10 0 CHAEHN CN[C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCCCO1 ZINC000050961739 522365883 /nfs/dbraw/zinc/36/58/83/522365883.db2.gz ANQVGJOLCXCKKJ-STQMWFEESA-N 0 3 274.191 3.823 10 0 CHAEHN CN[C@@H](c1ccc(OC)cc1)c1ccc(F)c(Cl)c1 ZINC000062792341 522369202 /nfs/dbraw/zinc/36/92/02/522369202.db2.gz XIMKCQYZMBPRLD-HNNXBMFYSA-N 0 3 279.742 3.797 10 0 CHAEHN CN[C@H](C[C@H]1CCCO1)c1cccc(Cl)c1Cl ZINC000055223494 522470982 /nfs/dbraw/zinc/47/09/82/522470982.db2.gz RKABYINZNUTEAQ-BXKDBHETSA-N 0 3 274.191 3.823 10 0 CHAEHN CN[C@H](C)c1cnc(C2(c3ccccc3)CCC2)s1 ZINC000062782016 522453544 /nfs/dbraw/zinc/45/35/44/522453544.db2.gz OJXSUBFEQFZSAI-GFCCVEGCSA-N 0 3 272.417 3.894 10 0 CHAEHN CC[C@H](NCc1ccccc1OC)c1cccs1 ZINC000020087210 522654768 /nfs/dbraw/zinc/65/47/68/522654768.db2.gz RFJMWJQLVKPWPI-ZDUSSCGKSA-N 0 3 261.390 3.998 10 0 CHAEHN CC[C@@H]1CCCC[C@@H]1OCc1cc(CN)c(C)o1 ZINC000052621674 523207826 /nfs/dbraw/zinc/20/78/26/523207826.db2.gz WZODNEOJBKSZDI-DOMZBBRYSA-N 0 3 251.370 3.532 10 0 CHAEHN Cc1ccc(C)c([C@@](C)(N)c2cc(F)ccc2C)c1 ZINC000055198747 524208669 /nfs/dbraw/zinc/20/86/69/524208669.db2.gz ZATURKPPYHWNMB-QGZVFWFLSA-N 0 3 257.352 3.973 10 0 CHAEHN C[C@H]1CCC[C@H](Oc2ccc(Cl)cc2CN)C1 ZINC000052858406 524209948 /nfs/dbraw/zinc/20/99/48/524209948.db2.gz FVLKBPXZADLQJI-GWCFXTLKSA-N 0 3 253.773 3.756 10 0 CHAEHN C[C@@H]1CCCN(c2cc(Br)ccc2CN)[C@@H]1C ZINC000050565991 524246426 /nfs/dbraw/zinc/24/64/26/524246426.db2.gz MITJUXMENMIJGK-GHMZBOCLSA-N 0 3 297.240 3.533 10 0 CHAEHN COc1ccc(N(C)c2ccc(Cl)cc2CN)cc1 ZINC000052857674 524356695 /nfs/dbraw/zinc/35/66/95/524356695.db2.gz PUAUARJUVYOOBM-UHFFFAOYSA-N 0 3 276.767 3.575 10 0 CHAEHN Cc1cc(CN[C@@H](C)c2ccccc2C)c(C)n1C ZINC000052789692 524767672 /nfs/dbraw/zinc/76/76/72/524767672.db2.gz DLIFFTZIXFUVHT-AWEZNQCLSA-N 0 3 256.393 3.801 10 0 CHAEHN COc1ccc(OC)c([C@@H](N)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000055234757 524886167 /nfs/dbraw/zinc/88/61/67/524886167.db2.gz JWAGPKLTWCCSAU-HSMVNMDESA-N 0 3 263.381 3.530 10 0 CHAEHN C[C@@H]1CN(Cc2ccc(Cl)cc2)c2ccccc2CN1 ZINC000062673114 524993399 /nfs/dbraw/zinc/99/33/99/524993399.db2.gz NTLFQPHOGYVYPE-CYBMUJFWSA-N 0 3 286.806 3.838 10 0 CHAEHN COc1ccc([C@H](C)N[C@@H]2CCOc3ccccc32)cc1 ZINC000037074358 525331013 /nfs/dbraw/zinc/33/10/13/525331013.db2.gz VORINTKLCATZIC-SUMWQHHRSA-N 0 3 283.371 3.870 10 0 CHAEHN C[C@@H](NCC(=O)N1CCCCC1)c1ccc2ccccc2c1 ZINC000102686749 525405809 /nfs/dbraw/zinc/40/58/09/525405809.db2.gz HIJGDEQALQKBFR-OAHLLOKOSA-N 0 3 296.414 3.503 10 0 CHAEHN Cc1ccccc1[C@H](N[C@@H](C)CCCO)c1ccccc1 ZINC000094941974 525428981 /nfs/dbraw/zinc/42/89/81/525428981.db2.gz NIGGRYPVEXZAQR-QFBILLFUSA-N 0 3 283.415 3.835 10 0 CHAEHN C[C@@H](N[C@@H](C)c1csc(Cl)c1)[C@@H]1CCCO1 ZINC000191167131 525621531 /nfs/dbraw/zinc/62/15/31/525621531.db2.gz TYFXCNRYOJXNHF-NGZCFLSTSA-N 0 3 259.802 3.620 10 0 CHAEHN Cc1ccc2c(c1)CCCN2c1ncc([C@@H](C)N)s1 ZINC000054894737 526147916 /nfs/dbraw/zinc/14/79/16/526147916.db2.gz ILDDAOQRFJODMQ-LLVKDONJSA-N 0 3 273.405 3.556 10 0 CHAEHN C[C@H]1CCCC[C@@H]1N(C)c1ccc(Cl)cc1CN ZINC000052857501 526255943 /nfs/dbraw/zinc/25/59/43/526255943.db2.gz PKVAGWVPKQPNHI-FZMZJTMJSA-N 0 3 266.816 3.814 10 0 CHAEHN Cc1csc(C[C@@H](N)c2ccccc2C(F)(F)F)n1 ZINC000055267627 526366695 /nfs/dbraw/zinc/36/66/95/526366695.db2.gz IFCFDIRMJWIRJQ-LLVKDONJSA-N 0 3 286.322 3.713 10 0 CHAEHN c1cc(CCNCc2nc3ccccc3s2)cs1 ZINC000049180596 526420356 /nfs/dbraw/zinc/42/03/56/526420356.db2.gz DIBHTRHCJNKHEZ-UHFFFAOYSA-N 0 3 274.414 3.690 10 0 CHAEHN Clc1ccc([C@H]2CNC3(CCCCC3)CO2)s1 ZINC000053073635 526964702 /nfs/dbraw/zinc/96/47/02/526964702.db2.gz OUIUSYDWANMFKH-SNVBAGLBSA-N 0 3 271.813 3.765 10 0 CHAEHN O=C1CCCCC[C@H]1N1CCC2(CCCCC2)CC1 ZINC000061818675 526971182 /nfs/dbraw/zinc/97/11/82/526971182.db2.gz DKLLHZJJDLVUEQ-OAHLLOKOSA-N 0 3 263.425 3.935 10 0 CHAEHN NCc1c(Cl)cccc1SCc1ccco1 ZINC000052905116 527243626 /nfs/dbraw/zinc/24/36/26/527243626.db2.gz WVJDFOXXJILEBP-UHFFFAOYSA-N 0 3 253.754 3.684 10 0 CHAEHN NCc1ccc(Cl)cc1N1CCCc2ccccc21 ZINC000062786735 527253774 /nfs/dbraw/zinc/25/37/74/527253774.db2.gz FGFGUMXVPGIRHD-UHFFFAOYSA-N 0 3 272.779 3.883 10 0 CHAEHN N[C@H](c1ccsc1)c1ccccc1C(F)(F)F ZINC000055233789 527392800 /nfs/dbraw/zinc/39/28/00/527392800.db2.gz QQVBKLILYWKBIC-LLVKDONJSA-N 0 3 257.280 3.815 10 0 CHAEHN N[C@]1(c2cc(F)cc(F)c2)CCCc2ccccc21 ZINC000055194011 527421749 /nfs/dbraw/zinc/42/17/49/527421749.db2.gz DNXQLTFUPOXXMZ-INIZCTEOSA-N 0 3 259.299 3.503 10 0 CHAEHN OC[C@H](NCc1cccs1)c1csc2ccccc12 ZINC000054465916 527609133 /nfs/dbraw/zinc/60/91/33/527609133.db2.gz BKONVMHSVPNHKT-AWEZNQCLSA-N 0 3 289.425 3.786 10 0 CHAEHN CC(C)N1CCC(=O)C12CC(C)(C)CC(C)(C)C2 ZINC000712016624 567836774 /nfs/dbraw/zinc/83/67/74/567836774.db2.gz DKZJGGVJBVECPO-UHFFFAOYSA-N 0 3 251.414 3.645 10 0 CHAEHN CC(C)(C)c1cccc(-c2ccc(CN)c(F)n2)c1 ZINC000725269471 567924497 /nfs/dbraw/zinc/92/44/97/567924497.db2.gz MBWHBVVWQDIDBS-UHFFFAOYSA-N 0 3 258.340 3.644 10 0 CHAEHN CN(Cc1nc(-c2ccoc2)no1)C1CCCCCCC1 ZINC000105608763 1123059242 /nfs/dbraw/zinc/05/92/42/1123059242.db2.gz QMASRIFTNZBKAV-UHFFFAOYSA-N 0 3 289.379 3.874 10 0 CHAEHN CC(C)CNCc1cnc(CSC(C)C)s1 ZINC000082416488 177986397 /nfs/dbraw/zinc/98/63/97/177986397.db2.gz HOIVRSMLBMKFJB-UHFFFAOYSA-N 0 3 258.456 3.530 10 0 CHAEHN CCCc1nc(CSC(C)C)sc1CNCC ZINC000082427822 178003438 /nfs/dbraw/zinc/00/34/38/178003438.db2.gz UPYHAKWXMYNKHH-UHFFFAOYSA-N 0 3 272.483 3.847 10 0 CHAEHN CCCSCc1nc(CCC)c(CNCC)s1 ZINC000082427859 178003460 /nfs/dbraw/zinc/00/34/60/178003460.db2.gz MDCSXJRWKQKLHA-UHFFFAOYSA-N 0 3 272.483 3.848 10 0 CHAEHN CC(C)c1nc(CCc2ccccc2)sc1CN ZINC000082435011 178012609 /nfs/dbraw/zinc/01/26/09/178012609.db2.gz JEYZRMNGHMVNKU-UHFFFAOYSA-N 0 3 260.406 3.510 10 0 CHAEHN CCCNCc1sc([C@@H]2CCCO2)nc1C(C)(C)C ZINC000082440115 178018608 /nfs/dbraw/zinc/01/86/08/178018608.db2.gz CIOMLOXBYBEALI-NSHDSACASA-N 0 3 282.453 3.792 10 0 CHAEHN COc1ccc(-c2nc(C(C)(C)C)c(CN)s2)cc1 ZINC000082440511 178018696 /nfs/dbraw/zinc/01/86/96/178018696.db2.gz OCGFPUJCQIZYEQ-UHFFFAOYSA-N 0 3 276.405 3.575 10 0 CHAEHN CCN[C@@H]1CC(CC)(CC)Oc2ccc(F)cc21 ZINC000082508380 178073711 /nfs/dbraw/zinc/07/37/11/178073711.db2.gz YQJQJYSLEOPAHQ-CYBMUJFWSA-N 0 3 251.345 3.818 10 0 CHAEHN C[C@H](N)c1cc(F)ccc1N1c2ccccc2C[C@@H]1C ZINC000019872296 184535041 /nfs/dbraw/zinc/53/50/41/184535041.db2.gz PUBAHPUOVWQCCP-RYUDHWBXSA-N 0 3 270.351 3.928 10 0 CHAEHN Cn1cc([C@H]2CCCN2Cc2ccc3ccccc3c2)cn1 ZINC000171413472 335065367 /nfs/dbraw/zinc/06/53/67/335065367.db2.gz BSKKVZRJQGMWQP-LJQANCHMSA-N 0 3 291.398 3.910 10 0 CHAEHN Cc1cnn([C@@H]2CCCN(Cc3cc(C)sc3C)C2)c1 ZINC000171529219 335068978 /nfs/dbraw/zinc/06/89/78/335068978.db2.gz RSPBFPPKZXJIAM-MRXNPFEDSA-N 0 3 289.448 3.707 10 0 CHAEHN CCN(CC)CCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000006205146 170182452 /nfs/dbraw/zinc/18/24/52/170182452.db2.gz JMFFVUIUIJWMBF-UHFFFAOYSA-N 0 3 261.409 3.899 10 0 CHAEHN Cc1cccc(NC(=O)CNC2CCCCCCC2)c1 ZINC000008131047 170320119 /nfs/dbraw/zinc/32/01/19/170320119.db2.gz GPZWAJVCBXKXTN-UHFFFAOYSA-N 0 3 274.408 3.636 10 0 CHAEHN COc1ccc(OC)c([C@H](N)Cc2cccc(Cl)c2)c1 ZINC000011604076 170426207 /nfs/dbraw/zinc/42/62/07/170426207.db2.gz YOUAYLQXJCQFGK-OAHLLOKOSA-N 0 3 291.778 3.600 10 0 CHAEHN Cc1c(Cl)cccc1NC(=O)C[C@@H](N)c1ccccc1 ZINC000019425699 170794834 /nfs/dbraw/zinc/79/48/34/170794834.db2.gz INMJNSRUAXFMQL-CQSZACIVSA-N 0 3 288.778 3.677 10 0 CHAEHN CC[C@@H](N[C@@H](C)c1cccnc1)c1ccc(O)cc1 ZINC000020127655 171013295 /nfs/dbraw/zinc/01/32/95/171013295.db2.gz AKUXAQAUPXEWRE-BLLLJJGKSA-N 0 3 256.349 3.589 10 0 CHAEHN Cc1ccccc1[C@H](C)N[C@@H](CN(C)C)c1ccccc1 ZINC000020129395 171016935 /nfs/dbraw/zinc/01/69/35/171016935.db2.gz OOEMEKRRCOTUKZ-LPHOPBHVSA-N 0 3 282.431 3.949 10 0 CHAEHN C[C@@H](N[C@@H]1CCc2ccccc21)c1ccc(O)cc1 ZINC000020129728 171018127 /nfs/dbraw/zinc/01/81/27/171018127.db2.gz DWPXNPBSEQWLFF-SJKOYZFVSA-N 0 3 253.345 3.730 10 0 CHAEHN CC[C@@H](NCc1cccc(C)c1)c1ccc(O)cc1 ZINC000020134121 171021819 /nfs/dbraw/zinc/02/18/19/171021819.db2.gz VRAYOHURGVHTCX-QGZVFWFLSA-N 0 3 255.361 3.942 10 0 CHAEHN CN(Cc1ccccc1Cl)[C@H](CN)c1ccc(F)cc1 ZINC000020225661 171088026 /nfs/dbraw/zinc/08/80/26/171088026.db2.gz XMBDLUQADURPJO-MRXNPFEDSA-N 0 3 292.785 3.611 10 0 CHAEHN CC[C@H](Oc1cccc(F)c1)[C@H](N)c1ccccc1 ZINC000020262682 171120982 /nfs/dbraw/zinc/12/09/82/171120982.db2.gz GTAPERSFEWYTTF-JKSUJKDBSA-N 0 3 259.324 3.683 10 0 CHAEHN Cc1cc(CN[C@@H](C)c2cccc(F)c2)cc(C)c1O ZINC000020305576 171142250 /nfs/dbraw/zinc/14/22/50/171142250.db2.gz BOWALCRLOAGKJM-ZDUSSCGKSA-N 0 3 273.351 3.999 10 0 CHAEHN COc1cccc(C[C@H](N)c2ccc(Cl)s2)c1 ZINC000020375038 171170696 /nfs/dbraw/zinc/17/06/96/171170696.db2.gz KYMVYHWSZFNLHD-NSHDSACASA-N 0 3 267.781 3.653 10 0 CHAEHN Cc1cc(C)c(C)c(OC[C@@H](N)c2ccccc2)c1 ZINC000020425480 171192082 /nfs/dbraw/zinc/19/20/82/171192082.db2.gz XUHFALPPEZUTHU-MRXNPFEDSA-N 0 3 255.361 3.691 10 0 CHAEHN CC(C)Oc1ccc([C@H](N)c2ccc(F)cc2)cc1 ZINC000020434836 171200930 /nfs/dbraw/zinc/20/09/30/171200930.db2.gz ZSOVTNJMQONBSR-MRXNPFEDSA-N 0 3 259.324 3.661 10 0 CHAEHN CCCCN(CCCC)[C@@H](CN)c1ccccc1F ZINC000020484985 171224414 /nfs/dbraw/zinc/22/44/14/171224414.db2.gz VTEOOEIUBUGKTM-INIZCTEOSA-N 0 3 266.404 3.728 10 0 CHAEHN CC(C)(C)OC[C@@H](N)c1ccccc1C(F)(F)F ZINC000020510737 171230348 /nfs/dbraw/zinc/23/03/48/171230348.db2.gz LSYYERIKCIXLRA-LLVKDONJSA-N 0 3 261.287 3.520 10 0 CHAEHN Cc1ccc([C@H](N)CO[C@H]2CCC[C@@H](C)C2)cc1C ZINC000020513102 171231620 /nfs/dbraw/zinc/23/16/20/171231620.db2.gz VNSWZMKSUBNPOP-OAUYIBNBSA-N 0 3 261.409 3.899 10 0 CHAEHN CCCOc1ccc([C@@H](N)CO[C@H](C)CC(C)C)cc1 ZINC000020549500 171246299 /nfs/dbraw/zinc/24/62/99/171246299.db2.gz SIYOBUSJMJHWGV-PBHICJAKSA-N 0 3 279.424 3.926 10 0 CHAEHN COc1ccccc1[C@@H](N)COc1ccc(C(C)C)cc1 ZINC000020567327 171255188 /nfs/dbraw/zinc/25/51/88/171255188.db2.gz PDBDIDYVTZGBGF-KRWDZBQOSA-N 0 3 285.387 3.897 10 0 CHAEHN CCC(CC)[C@H](N)c1cc(Br)ccc1OC ZINC000020586940 171259336 /nfs/dbraw/zinc/25/93/36/171259336.db2.gz LHKIJPFBZUMGHL-ZDUSSCGKSA-N 0 3 286.213 3.894 10 0 CHAEHN CCCOc1c(Cl)cc(Cl)cc1CNCC ZINC000020930137 171281194 /nfs/dbraw/zinc/28/11/94/171281194.db2.gz OTUPUZLUPDMVRT-UHFFFAOYSA-N 0 3 262.180 3.892 10 0 CHAEHN Cc1ccc([C@H](N)COc2cccc(C)c2)c(C)c1 ZINC000021019277 171290424 /nfs/dbraw/zinc/29/04/24/171290424.db2.gz AFXMXDWCUWAPJZ-QGZVFWFLSA-N 0 3 255.361 3.691 10 0 CHAEHN N[C@@H]1c2ccccc2CCC[C@H]1Oc1ccc(F)cc1 ZINC000021505969 171307405 /nfs/dbraw/zinc/30/74/05/171307405.db2.gz PQLABYGEJPXEFW-IAGOWNOFSA-N 0 3 271.335 3.609 10 0 CHAEHN Cc1ccc(O[C@H](C)[C@@H](N)c2ccccc2)cc1C ZINC000021507881 171309004 /nfs/dbraw/zinc/30/90/04/171309004.db2.gz ZYGLRYVDYMBSDX-RHSMWYFYSA-N 0 3 255.361 3.771 10 0 CHAEHN Cc1cccc(OC[C@@H](N)c2cc(C)ccc2C)c1 ZINC000021520974 171316161 /nfs/dbraw/zinc/31/61/61/171316161.db2.gz MCHQCFDPPIWSHK-QGZVFWFLSA-N 0 3 255.361 3.691 10 0 CHAEHN COc1ccc(OC[C@@H](N)c2ccc(C(C)C)cc2)cc1 ZINC000021792248 171324264 /nfs/dbraw/zinc/32/42/64/171324264.db2.gz YCUVNDMHESAIRN-GOSISDBHSA-N 0 3 285.387 3.897 10 0 CHAEHN COc1cccc([C@@H](N)COc2ccc(C(C)C)cc2)c1 ZINC000021813252 171330598 /nfs/dbraw/zinc/33/05/98/171330598.db2.gz BRBUASHZSTVLTO-SFHVURJKSA-N 0 3 285.387 3.897 10 0 CHAEHN CC(C)[C@H](Oc1ccccc1F)[C@@H](N)c1ccccc1 ZINC000021814135 171331425 /nfs/dbraw/zinc/33/14/25/171331425.db2.gz BXYMXBDTTRMTDG-IRXDYDNUSA-N 0 3 273.351 3.929 10 0 CHAEHN NCc1ccc(Oc2ccccc2-c2ccccc2)nc1 ZINC000022173075 171368635 /nfs/dbraw/zinc/36/86/35/171368635.db2.gz BNNQOBZHTHHPDB-UHFFFAOYSA-N 0 3 276.339 4.000 10 0 CHAEHN NC[C@H](c1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000022175665 171370633 /nfs/dbraw/zinc/37/06/33/171370633.db2.gz FDGJKNFKZLRMDH-CQSZACIVSA-N 0 3 286.341 3.581 10 0 CHAEHN CC(C)[C@H](Oc1ccccc1)[C@H](N)c1ccccc1 ZINC000022565854 171392054 /nfs/dbraw/zinc/39/20/54/171392054.db2.gz XHRJPHQQJCFCDK-SJORKVTESA-N 0 3 255.361 3.790 10 0 CHAEHN COc1ccccc1O[C@H](C(C)C)[C@H](N)c1ccccc1 ZINC000023067156 171407944 /nfs/dbraw/zinc/40/79/44/171407944.db2.gz IKVNITBJIFMPJK-QZTJIDSGSA-N 0 3 285.387 3.799 10 0 CHAEHN Cc1noc(C)c1CN[C@H](c1cccs1)C(C)C ZINC000035017412 171934327 /nfs/dbraw/zinc/93/43/27/171934327.db2.gz BJFFTIZXXCOFSK-AWEZNQCLSA-N 0 3 264.394 3.840 10 0 CHAEHN Cc1ccsc1[C@@H](N)c1ccc2c(c1)CCCC2 ZINC000035081650 171966321 /nfs/dbraw/zinc/96/63/21/171966321.db2.gz OPOHEAIFNSCKCJ-HNNXBMFYSA-N 0 3 257.402 3.983 10 0 CHAEHN CCC[C@H](C)NCc1cccc(OC)c1OC(F)F ZINC000035161332 172020720 /nfs/dbraw/zinc/02/07/20/172020720.db2.gz OUUREQYLEACXRG-JTQLQIEISA-N 0 3 273.323 3.575 10 0 CHAEHN COc1ccc([C@H](N)c2ccc(Br)s2)cc1 ZINC000035379625 172162396 /nfs/dbraw/zinc/16/23/96/172162396.db2.gz CSQNXQARSPZBLD-LBPRGKRZSA-N 0 3 298.205 3.567 10 0 CHAEHN CCc1ccc([C@H](NC)c2sccc2C)s1 ZINC000035460526 172209283 /nfs/dbraw/zinc/20/92/83/172209283.db2.gz DBSUHAAKWFCMIE-LBPRGKRZSA-N 0 3 251.420 3.989 10 0 CHAEHN CN[C@@H](c1ccc(F)c(F)c1)c1ccc(C)cc1C ZINC000035468165 172217069 /nfs/dbraw/zinc/21/70/69/172217069.db2.gz FVCVXKQKJWXTQS-INIZCTEOSA-N 0 3 261.315 3.890 10 0 CHAEHN CN[C@H](c1cc(C)sc1C)c1ccc(F)c(F)c1 ZINC000035497612 172231055 /nfs/dbraw/zinc/23/10/55/172231055.db2.gz NJFVXVCZVSMWII-AWEZNQCLSA-N 0 3 267.344 3.952 10 0 CHAEHN CN[C@@H](c1cccs1)c1ccc(OC(C)C)cc1 ZINC000035498604 172232261 /nfs/dbraw/zinc/23/22/61/172232261.db2.gz FBVFQONMQFEGOW-OAHLLOKOSA-N 0 3 261.390 3.844 10 0 CHAEHN CCN[C@H](c1ccc(C)s1)c1cccc(OC)c1 ZINC000035510253 172241684 /nfs/dbraw/zinc/24/16/84/172241684.db2.gz XEYOSYNXCDZXQX-HNNXBMFYSA-N 0 3 261.390 3.764 10 0 CHAEHN CCN[C@@H](c1ccccc1)c1ccccc1OCC ZINC000035540621 172247021 /nfs/dbraw/zinc/24/70/21/172247021.db2.gz XWUXUYJVFKEQLH-KRWDZBQOSA-N 0 3 255.361 3.784 10 0 CHAEHN CCN[C@@H](c1cc2c(s1)CCC2)c1ccccc1 ZINC000035540440 172247248 /nfs/dbraw/zinc/24/72/48/172247248.db2.gz SISKDTQJAPPWSS-MRXNPFEDSA-N 0 3 257.402 3.936 10 0 CHAEHN CCN[C@H](c1cccs1)c1ccc(OC)cc1C ZINC000035542998 172251131 /nfs/dbraw/zinc/25/11/31/172251131.db2.gz GITGZZKBAXHNQJ-HNNXBMFYSA-N 0 3 261.390 3.764 10 0 CHAEHN CCN[C@@H](c1cc(OC)c(OC)cc1Cl)[C@H]1C[C@@H]1C ZINC000035557642 172263239 /nfs/dbraw/zinc/26/32/39/172263239.db2.gz VBWQQJLQWJWSAL-AMJWSMQMSA-N 0 3 283.799 3.664 10 0 CHAEHN CCN[C@H](c1cc2c(cc1Cl)OCCO2)[C@@H](C)CC ZINC000035557785 172263878 /nfs/dbraw/zinc/26/38/78/172263878.db2.gz HZZUXRRZUMPHRY-BONVTDFDSA-N 0 3 283.799 3.808 10 0 CHAEHN CCCN[C@@H](c1cccs1)c1ccc(OC)cc1 ZINC000035576286 172272950 /nfs/dbraw/zinc/27/29/50/172272950.db2.gz SLCCRRKKHJZOEO-OAHLLOKOSA-N 0 3 261.390 3.846 10 0 CHAEHN CNCc1cc(Cl)cc(Cl)c1OCc1cccnc1 ZINC000035661960 172340208 /nfs/dbraw/zinc/34/02/08/172340208.db2.gz VPGZJFCKHZAYJS-UHFFFAOYSA-N 0 3 297.185 3.687 10 0 CHAEHN CN(Cc1cccs1)[C@H](CN)c1cccc(Cl)c1 ZINC000035717033 172370771 /nfs/dbraw/zinc/37/07/71/172370771.db2.gz NYRCDBCTBZHCBJ-CQSZACIVSA-N 0 3 280.824 3.533 10 0 CHAEHN NCc1ccnc(Oc2cc(Cl)ccc2Cl)c1 ZINC000035719798 172373804 /nfs/dbraw/zinc/37/38/04/172373804.db2.gz UMPCVLJRYCNNNS-UHFFFAOYSA-N 0 3 269.131 3.639 10 0 CHAEHN NC[C@H](c1ccc(Cl)s1)N1CCc2sccc2C1 ZINC000036906805 172794978 /nfs/dbraw/zinc/79/49/78/172794978.db2.gz ZAWWHRUBJJUHTQ-SNVBAGLBSA-N 0 3 298.864 3.521 10 0 CHAEHN NCc1cc(F)ccc1Oc1ccc(Br)cc1 ZINC000037237644 173055451 /nfs/dbraw/zinc/05/54/51/173055451.db2.gz VAQLKKSNRIYQPP-UHFFFAOYSA-N 0 3 296.139 3.839 10 0 CHAEHN Cc1nc2ccc(N[C@H](C)c3scnc3C)cc2[nH]1 ZINC000037318380 173118304 /nfs/dbraw/zinc/11/83/04/173118304.db2.gz WGLNYKQBKQFVOK-SECBINFHSA-N 0 3 272.377 3.809 10 0 CHAEHN CN(Cc1cccc(F)c1)[C@H](CN)c1ccc(Cl)s1 ZINC000037328341 173129329 /nfs/dbraw/zinc/12/93/29/173129329.db2.gz LSNYLJILCAQQCS-GFCCVEGCSA-N 0 3 298.814 3.672 10 0 CHAEHN Cc1ccc(C(=O)[C@@H](C)N(C)[C@@H](C)C(C)C)cc1C ZINC000037339083 173140740 /nfs/dbraw/zinc/14/07/40/173140740.db2.gz WGIHDUASLBKQJU-LSDHHAIUSA-N 0 3 261.409 3.851 10 0 CHAEHN Cc1ccc2c(c1)nc([C@@H](N)CC(C)C)n2C(C)C ZINC000037438442 173208700 /nfs/dbraw/zinc/20/87/00/173208700.db2.gz CXMCBKXAPYPLQD-ZDUSSCGKSA-N 0 3 259.397 3.972 10 0 CHAEHN CCCn1c2ccc(C)cc2nc1[C@H]1CCCCN1 ZINC000037438383 173208937 /nfs/dbraw/zinc/20/89/37/173208937.db2.gz CBVUAMGHBPUENT-CYBMUJFWSA-N 0 3 257.381 3.569 10 0 CHAEHN CC(C)C[C@@H](N)c1nc2cc(F)ccc2n1C(C)C ZINC000037439664 173209291 /nfs/dbraw/zinc/20/92/91/173209291.db2.gz PZXFAZSPQLSSPM-GFCCVEGCSA-N 0 3 263.360 3.802 10 0 CHAEHN COc1ccc([C@](C)(N)c2ccccc2Cl)cc1 ZINC000037529727 173252977 /nfs/dbraw/zinc/25/29/77/173252977.db2.gz LLXISDNNBJXGML-HNNXBMFYSA-N 0 3 261.752 3.571 10 0 CHAEHN COc1cccc([C@H](N)c2cccc(Br)c2)c1 ZINC000037533844 173254611 /nfs/dbraw/zinc/25/46/11/173254611.db2.gz HDXISPMRLANIEE-CQSZACIVSA-N 0 3 292.176 3.506 10 0 CHAEHN CNCc1cc(-c2c(F)cc(F)cc2F)ccc1F ZINC000038072812 174083235 /nfs/dbraw/zinc/08/32/35/174083235.db2.gz RZVGQLKRCFSWTO-UHFFFAOYSA-N 0 3 269.241 3.629 10 0 CHAEHN C[C@H](NCC[C@@H]1CCCO1)c1ccccc1Br ZINC000038095470 174109738 /nfs/dbraw/zinc/10/97/38/174109738.db2.gz AZHCDGGQGUUMTA-RYUDHWBXSA-N 0 3 298.224 3.669 10 0 CHAEHN CN[C@@H](Cc1ccc(Cl)cc1)c1ccccc1F ZINC000038134289 174132244 /nfs/dbraw/zinc/13/22/44/174132244.db2.gz XYFZERGQUXRWIM-HNNXBMFYSA-N 0 3 263.743 3.982 10 0 CHAEHN Cc1nccn1C[C@H](N)c1ccc(-c2ccccc2)cc1 ZINC000038827585 174156203 /nfs/dbraw/zinc/15/62/03/174156203.db2.gz BWXXBIUNIMYBCU-SFHVURJKSA-N 0 3 277.371 3.559 10 0 CHAEHN C[C@H](N)c1nc2ccc(Cl)cc2n1Cc1ccccc1 ZINC000040417903 174256590 /nfs/dbraw/zinc/25/65/90/174256590.db2.gz HIPPJVZKWGYUAA-NSHDSACASA-N 0 3 285.778 3.758 10 0 CHAEHN C[C@@H](N)c1csc(-c2ccccc2Br)n1 ZINC000070840436 176008410 /nfs/dbraw/zinc/00/84/10/176008410.db2.gz OTEVNULWQMUQPB-SSDOTTSWSA-N 0 3 283.194 3.592 10 0 CHAEHN CCCN1CCc2cccc3c2[C@H]1Cc1cccc(N)c1-3 ZINC000072178423 176334891 /nfs/dbraw/zinc/33/48/91/176334891.db2.gz LKVRAIZDZUXRII-QGZVFWFLSA-N 0 3 278.399 3.801 10 0 CHAEHN CCCN[C@@H](C)c1csc(-c2ccc(OC)cc2)n1 ZINC000076784373 177092027 /nfs/dbraw/zinc/09/20/27/177092027.db2.gz HBVRCMADPIBGOZ-NSHDSACASA-N 0 3 276.405 3.879 10 0 CHAEHN CCCOc1cccc(-c2nc([C@@H](C)NC)cs2)c1 ZINC000076784872 177092358 /nfs/dbraw/zinc/09/23/58/177092358.db2.gz FRJVUZKALABPTL-LLVKDONJSA-N 0 3 276.405 3.879 10 0 CHAEHN CN(C)Cc1cccc(N[C@@H]2CCc3ccccc32)c1 ZINC000036979900 260060383 /nfs/dbraw/zinc/06/03/83/260060383.db2.gz XQNHXWCXSRJJOZ-GOSISDBHSA-N 0 3 266.388 3.848 10 0 CHAEHN Cc1ccc([C@H](C)NCc2cncn2C(C)C)c(C)c1 ZINC000090208553 260239158 /nfs/dbraw/zinc/23/91/58/260239158.db2.gz HXHSDZJCHTZDOV-HNNXBMFYSA-N 0 3 271.408 3.932 10 0 CHAEHN CCC[C@@H]1C[C@H]1N[C@@H](C)c1ccc(OC)cc1OC ZINC000090175327 260336440 /nfs/dbraw/zinc/33/64/40/260336440.db2.gz GRJDJMAYTUTEGS-YWPYICTPSA-N 0 3 263.381 3.543 10 0 CHAEHN C[C@@H](C(=O)Nc1cccc(Cl)c1)[C@H](N)c1ccccc1 ZINC000130058998 260392274 /nfs/dbraw/zinc/39/22/74/260392274.db2.gz YCGVQNKZECLDSJ-ABAIWWIYSA-N 0 3 288.778 3.615 10 0 CHAEHN CCCCN(CCCC)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000130124938 260393911 /nfs/dbraw/zinc/39/39/11/260393911.db2.gz CJUXXFGANMMKGK-DOTOQJQBSA-N 0 3 290.451 3.751 10 0 CHAEHN C[C@H](N[C@@H]1C[C@H]1C)c1cc(Br)ccc1F ZINC000168976887 260913940 /nfs/dbraw/zinc/91/39/40/260913940.db2.gz ORLMEETVLIZWMK-RGNHYFCHSA-N 0 3 272.161 3.647 10 0 CHAEHN CC(C)COc1ccc([C@@H](C)NCc2cccn2C)cc1 ZINC000150836553 260974291 /nfs/dbraw/zinc/97/42/91/260974291.db2.gz YVUZVEYSMXMZDB-OAHLLOKOSA-N 0 3 286.419 3.911 10 0 CHAEHN Cc1nn(C)cc1CN[C@H]1c2ccccc2CCC1(C)C ZINC000119315997 262159374 /nfs/dbraw/zinc/15/93/74/262159374.db2.gz QUPUGBBVLQFKIC-KRWDZBQOSA-N 0 3 283.419 3.532 10 0 CHAEHN CN(C)C[C@@H](N[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000120438464 262195145 /nfs/dbraw/zinc/19/51/45/262195145.db2.gz OQQRPUXMKTXEFR-VQTJNVASSA-N 0 3 294.442 3.957 10 0 CHAEHN C[C@@H](N[C@@H](C)COCc1ccccc1)c1ccccc1 ZINC000390576122 262221882 /nfs/dbraw/zinc/22/18/82/262221882.db2.gz FQOZRVCAMQTQIH-JKSUJKDBSA-N 0 3 269.388 3.943 10 0 CHAEHN Cc1ccc(C)c(CN[C@H](C)COCc2ccccc2)c1 ZINC000390591972 262225279 /nfs/dbraw/zinc/22/52/79/262225279.db2.gz QLCUVJYJFQNTEH-QGZVFWFLSA-N 0 3 283.415 3.998 10 0 CHAEHN CC(C)CCOc1ccc(CN[C@H](C)[C@@H]2CCCO2)cc1 ZINC000020549342 262249243 /nfs/dbraw/zinc/24/92/43/262249243.db2.gz PZQUGNNDJZIKJZ-QAPCUYQASA-N 0 3 291.435 3.769 10 0 CHAEHN CC(C)Oc1ccc(CN[C@@H](C)[C@@H]2CCCO2)cc1Cl ZINC000188389939 262293489 /nfs/dbraw/zinc/29/34/89/262293489.db2.gz VLJBRBFRDCLLEE-WFASDCNBSA-N 0 3 297.826 3.784 10 0 CHAEHN CC(C)[C@H](C)N[C@H](C)c1ncc(Br)cc1F ZINC000186937502 262330986 /nfs/dbraw/zinc/33/09/86/262330986.db2.gz MFUPIIXOQKVVOT-DTWKUNHWSA-N 0 3 289.192 3.678 10 0 CHAEHN CC1(C)C[C@@H](NC[C@H]2CCC=CO2)c2ccccc2O1 ZINC000188577186 264224416 /nfs/dbraw/zinc/22/44/16/264224416.db2.gz JNVMLJBPXNTYTN-UKRRQHHQSA-N 0 3 273.376 3.571 10 0 CHAEHN CCO[C@H]1C[C@H](N(C)Cc2cncc(C)c2)C12CCCC2 ZINC000189956659 264338097 /nfs/dbraw/zinc/33/80/97/264338097.db2.gz ZMNVTASBGXTFSF-IRXDYDNUSA-N 0 3 288.435 3.560 10 0 CHAEHN Fc1ccc(CCN2CCC[C@@H]2c2ccco2)cc1F ZINC000152094435 328065180 /nfs/dbraw/zinc/06/51/80/328065180.db2.gz XKLFUPJARBMVMN-OAHLLOKOSA-N 0 3 277.314 3.937 10 0 CHAEHN FC(F)c1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000183933092 329254734 /nfs/dbraw/zinc/25/47/34/329254734.db2.gz KRRPEWRLAPOVHO-UHFFFAOYSA-N 0 3 291.345 3.727 10 0 CHAEHN C[C@H](CN1CCCN(C2CC2)CC1)c1cccc(Cl)c1 ZINC000187085678 329353930 /nfs/dbraw/zinc/35/39/30/329353930.db2.gz QJQJUPRSPSWKND-CQSZACIVSA-N 0 3 292.854 3.614 10 0 CHAEHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc2ccccc2n1 ZINC000252696370 329944993 /nfs/dbraw/zinc/94/49/93/329944993.db2.gz ZIWDMDMAMHOPRY-GGBBIFEXSA-N 0 3 296.414 3.699 10 0 CHAEHN C[C@@H]1C[C@H]1N[C@H]1CCSc2ccc(Br)cc21 ZINC000252716144 329945621 /nfs/dbraw/zinc/94/56/21/329945621.db2.gz XSAWSKAEKJHUQE-JFUSQASVSA-N 0 3 298.249 3.984 10 0 CHAEHN Cc1ccccc1[C@H](NC[C@@H]1CCCO1)c1ccccc1 ZINC000105689671 330327970 /nfs/dbraw/zinc/32/79/70/330327970.db2.gz CYDNTOHBKOJUAA-PKOBYXMFSA-N 0 3 281.399 3.853 10 0 CHAEHN CC[C@H](C)[C@H](C)N[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000089670589 330386993 /nfs/dbraw/zinc/38/69/93/330386993.db2.gz FIZNYGDWIBAFQG-GMXVVIOVSA-N 0 3 265.401 3.668 10 0 CHAEHN Cc1c([C@H](C)N[C@H]2C[C@@H]2C)cnn1-c1cccc(Cl)c1 ZINC000120412525 330388655 /nfs/dbraw/zinc/38/86/55/330388655.db2.gz DUUKSUPWKPTKJD-MMPTUQATSA-N 0 3 289.810 3.893 10 0 CHAEHN CC(C)c1nc([C@H](C)N[C@H]2CN(C(C)C)C[C@H]2C)cs1 ZINC000090048453 330390004 /nfs/dbraw/zinc/39/00/04/330390004.db2.gz MEANWLOJAUKXRJ-RDBSUJKOSA-N 0 3 295.496 3.646 10 0 CHAEHN C/C(=C/c1ccccc1)CN1CCC(Cn2cccn2)CC1 ZINC000122092799 330411764 /nfs/dbraw/zinc/41/17/64/330411764.db2.gz CJLFVUTWFSSUAU-VKAVYKQESA-N 0 3 295.430 3.699 10 0 CHAEHN Cc1ccc2c(c1)[C@H](N[C@H](CN(C)C)c1ccccc1)CC2 ZINC000163848319 331134600 /nfs/dbraw/zinc/13/46/00/331134600.db2.gz XNHDAEWMODBXKS-WOJBJXKFSA-N 0 3 294.442 3.875 10 0 CHAEHN CC[C@H](CCO)N[C@H](c1ccccc1)c1ccccc1C ZINC000166093299 331306562 /nfs/dbraw/zinc/30/65/62/331306562.db2.gz BECVCGDBTLFJTQ-IEBWSBKVSA-N 0 3 283.415 3.835 10 0 CHAEHN COc1ccccc1[C@@H](C)N[C@H](C)COCc1ccccc1 ZINC000178064109 333067359 /nfs/dbraw/zinc/06/73/59/333067359.db2.gz NJTBAPWOCFPDHZ-HZPDHXFCSA-N 0 3 299.414 3.951 10 0 CHAEHN Cc1cncc([C@H](C)N[C@@H](C)COCc2ccccc2)c1 ZINC000184371160 333127537 /nfs/dbraw/zinc/12/75/37/333127537.db2.gz JWOVDHVAUZBFOI-HOTGVXAUSA-N 0 3 284.403 3.646 10 0 CHAEHN OC[C@H]1CCCC[C@@H]1NCc1cccc(Cl)c1Cl ZINC000219003558 333139918 /nfs/dbraw/zinc/13/99/18/333139918.db2.gz ZVGVBHGTYRSVCI-YPMHNXCESA-N 0 3 288.218 3.634 10 0 CHAEHN CSC1(CN[C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000228021457 333292599 /nfs/dbraw/zinc/29/25/99/333292599.db2.gz DWWRROQVZNYZSI-CYBMUJFWSA-N 0 3 277.433 3.774 10 0 CHAEHN CCN1CCC[C@H](NCc2cc(Cl)ccc2Cl)C1 ZINC000229189939 333301255 /nfs/dbraw/zinc/30/12/55/333301255.db2.gz UIDXIBCEQITNTQ-ZDUSSCGKSA-N 0 3 287.234 3.567 10 0 CHAEHN CCC[C@@H]1C[C@H]1NCc1nc2ccccc2n1CCC ZINC000231674634 333327529 /nfs/dbraw/zinc/32/75/29/333327529.db2.gz FSJYKZKPELLRAX-UKRRQHHQSA-N 0 3 271.408 3.725 10 0 CHAEHN Cc1ccc(C2CC(N[C@@H]3COc4ccccc43)C2)cc1 ZINC000070529421 333814798 /nfs/dbraw/zinc/81/47/98/333814798.db2.gz RWOMPDIIXNJYLX-LEOMRAHMSA-N 0 3 279.383 3.964 10 0 CHAEHN COc1cccc(F)c1[C@H](C)NC[C@H]1Cc2ccccc21 ZINC000135144555 334117553 /nfs/dbraw/zinc/11/75/53/334117553.db2.gz ZLNZIIFUROXOSS-GXTWGEPZSA-N 0 3 285.362 3.825 10 0 CHAEHN CC[C@H](N[C@H]1CCCCC[C@@H]1O)c1ccccc1F ZINC000135636484 334135002 /nfs/dbraw/zinc/13/50/02/334135002.db2.gz DAEUGAHWQKDZQQ-JYJNAYRXSA-N 0 3 265.372 3.560 10 0 CHAEHN CC[C@@H]1CC[C@H](Nc2cccc(OCCN(C)C)c2)C1 ZINC000080453030 334171711 /nfs/dbraw/zinc/17/17/11/334171711.db2.gz ZEEDCEQUQHQMOS-ZBFHGGJFSA-N 0 3 276.424 3.618 10 0 CHAEHN C[C@H](c1ccc(F)c(F)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247118903 334275948 /nfs/dbraw/zinc/27/59/48/334275948.db2.gz AIUBQZJUZUBKTQ-IFIJOSMWSA-N 0 3 295.373 3.653 10 0 CHAEHN CSc1ccc(CN2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000247973187 334292602 /nfs/dbraw/zinc/29/26/02/334292602.db2.gz KADPSFQUYNOVNX-RDJZCZTQSA-N 0 3 291.460 3.536 10 0 CHAEHN C[C@H](c1ccccc1F)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247998123 334293239 /nfs/dbraw/zinc/29/32/39/334293239.db2.gz KBEBOAQRMLWNKB-CPUCHLNUSA-N 0 3 277.383 3.514 10 0 CHAEHN COc1ccc(Cl)cc1[C@H](C)NC[C@H]1CCCC[C@H]1O ZINC000248163226 334296270 /nfs/dbraw/zinc/29/62/70/334296270.db2.gz SMVMWPKRULGJKU-YWPYICTPSA-N 0 3 297.826 3.550 10 0 CHAEHN CCCCOC[C@@H](O)CN(C)[C@H](C)c1cccc(Cl)c1 ZINC000248658589 334312203 /nfs/dbraw/zinc/31/22/03/334312203.db2.gz UKCLXORMEJNLOY-CJNGLKHVSA-N 0 3 299.842 3.510 10 0 CHAEHN CCN(Cc1nccn1C(C)C)[C@H]1CCCC[C@H]1C ZINC000249374280 334332734 /nfs/dbraw/zinc/33/27/34/334332734.db2.gz NUGBIHUOHLCFRK-CABCVRRESA-N 0 3 263.429 3.865 10 0 CHAEHN Oc1cccc2c1CC[C@@H]2N[C@H]1C[C@H]1c1ccccc1 ZINC000250819353 334351326 /nfs/dbraw/zinc/35/13/26/334351326.db2.gz QPAUYXVLXMVTDM-ULQDDVLXSA-N 0 3 265.356 3.525 10 0 CHAEHN C[C@H](N[C@H]1CCCC[C@H]1O)c1ccc(Cl)cc1Cl ZINC000251440317 334361676 /nfs/dbraw/zinc/36/16/76/334361676.db2.gz BAKRAQJFPKNBLH-QCZZGDTMSA-N 0 3 288.218 3.948 10 0 CHAEHN Cc1ccccc1[C@H](N[C@H](C)C[C@H](C)O)c1ccccc1 ZINC000252756135 334390263 /nfs/dbraw/zinc/39/02/63/334390263.db2.gz JNQYAMPFNFZQSK-JTDSTZFVSA-N 0 3 283.415 3.833 10 0 CHAEHN CC[C@H](N[C@H]1CCCCC[C@H]1O)c1ccccc1F ZINC000252847149 334396607 /nfs/dbraw/zinc/39/66/07/334396607.db2.gz DAEUGAHWQKDZQQ-HRCADAONSA-N 0 3 265.372 3.560 10 0 CHAEHN CCn1nc(C)c([C@@H](C)N[C@@H]2CC23CCCC3)c1C ZINC000387162302 336186760 /nfs/dbraw/zinc/18/67/60/336186760.db2.gz RIVAYRZPHKIBOE-BXUZGUMPSA-N 0 3 261.413 3.503 10 0 CHAEHN CC(C)C[C@@H]1CSC(N[C@@H](C)Cc2ccsc2)=N1 ZINC000049185358 519277389 /nfs/dbraw/zinc/27/73/89/519277389.db2.gz YKWPSMZZKPBQAI-WCQYABFASA-N 0 3 282.478 3.786 10 0 CHAEHN CC(C)C[C@H](C)OCc1cc(CNC(C)C)co1 ZINC000052603645 519324532 /nfs/dbraw/zinc/32/45/32/519324532.db2.gz ZUHYKZGRJQOEFD-ZDUSSCGKSA-N 0 3 253.386 3.729 10 0 CHAEHN CC(C)CCOCc1c2ccccc2sc1CN ZINC000052624639 519669380 /nfs/dbraw/zinc/66/93/80/519669380.db2.gz QVMGNXIXTGRSAV-UHFFFAOYSA-N 0 3 263.406 3.923 10 0 CHAEHN CCCNCc1ccc(CO[C@H](C)CC(C)C)o1 ZINC000052603338 519950205 /nfs/dbraw/zinc/95/02/05/519950205.db2.gz LJGAYZQAIVTGAO-CYBMUJFWSA-N 0 3 253.386 3.730 10 0 CHAEHN CCCNCc1nc(CO[C@@H](C)CC(C)C)cs1 ZINC000052603056 519968977 /nfs/dbraw/zinc/96/89/77/519968977.db2.gz VLQIFTJSWVXNIF-LBPRGKRZSA-N 0 3 270.442 3.594 10 0 CHAEHN CCN[C@H](CSC)c1ccccc1C(F)(F)F ZINC000055234121 520201466 /nfs/dbraw/zinc/20/14/66/520201466.db2.gz NUXUFVSRHGUGBX-LLVKDONJSA-N 0 3 263.328 3.719 10 0 CHAEHN CCCCN(Cc1ccc(Cl)cc1N)C1CC1 ZINC000050443084 520544688 /nfs/dbraw/zinc/54/46/88/520544688.db2.gz FNGNXLOEPOMWFB-UHFFFAOYSA-N 0 3 252.789 3.687 10 0 CHAEHN CCOc1ccc([C@@H](N)c2cc(F)ccc2C)cc1 ZINC000055228368 521229635 /nfs/dbraw/zinc/22/96/35/521229635.db2.gz IOQYHICCPMJOPH-MRXNPFEDSA-N 0 3 259.324 3.581 10 0 CHAEHN CCN(Cc1cccs1)c1cc(Cl)ccc1CN ZINC000062786911 521410919 /nfs/dbraw/zinc/41/09/19/521410919.db2.gz NXNVZLNMRSGNAM-UHFFFAOYSA-N 0 3 280.824 3.887 10 0 CHAEHN CCN(Cc1nc(NC)ccc1Cl)C1CCCCC1 ZINC000061630574 521452714 /nfs/dbraw/zinc/45/27/14/521452714.db2.gz RIBWEHPSGJMFMQ-UHFFFAOYSA-N 0 3 281.831 3.931 10 0 CHAEHN CCCN(CC(F)(F)F)c1ncc([C@@H](C)NCC)s1 ZINC000054906322 521586807 /nfs/dbraw/zinc/58/68/07/521586807.db2.gz ABKYJCYUOWHVCU-SECBINFHSA-N 0 3 295.374 3.592 10 0 CHAEHN CN[C@H](C)c1ccc(-c2cc(OC)ccc2Cl)o1 ZINC000052924610 522444076 /nfs/dbraw/zinc/44/40/76/522444076.db2.gz WCWOIOLQWBMHCJ-SECBINFHSA-N 0 3 265.740 3.889 10 0 CHAEHN CN[C@H](C)c1ccc(-c2cccc3ncccc32)o1 ZINC000052924122 522447980 /nfs/dbraw/zinc/44/79/80/522447980.db2.gz CMLGXGCMGNEFEX-LLVKDONJSA-N 0 3 252.317 3.775 10 0 CHAEHN CN1CCCC[C@@H]1CNc1ccc(Cl)c(Cl)c1 ZINC000054239789 523795745 /nfs/dbraw/zinc/79/57/45/523795745.db2.gz UGMSOFQJHXRHLC-LLVKDONJSA-N 0 3 273.207 3.890 10 0 CHAEHN COc1ccc(CN2CCC[C@H](c3nccs3)C2)cc1 ZINC000157000488 524029970 /nfs/dbraw/zinc/02/99/70/524029970.db2.gz QOSXNEZHNGWDNJ-AWEZNQCLSA-N 0 3 288.416 3.531 10 0 CHAEHN COc1ccc(OC)c([C@@H](N)[C@H]2CCC[C@@H](C)C2)c1 ZINC000055234753 524886568 /nfs/dbraw/zinc/88/65/68/524886568.db2.gz JWAGPKLTWCCSAU-WQGACYEGSA-N 0 3 263.381 3.530 10 0 CHAEHN Cc1cc(F)ccc1[C@H](N)c1cc(F)c(F)c(F)c1 ZINC000055226614 525008530 /nfs/dbraw/zinc/00/85/30/525008530.db2.gz OODZTPAFKCWCAA-CQSZACIVSA-N 0 3 269.241 3.600 10 0 CHAEHN C[C@@H](N)c1c(F)cccc1OCCc1cccs1 ZINC000049585769 525025466 /nfs/dbraw/zinc/02/54/66/525025466.db2.gz KXKPRBVNOLKIOC-SNVBAGLBSA-N 0 3 265.353 3.528 10 0 CHAEHN C[C@](N)(c1cc(F)cc(F)c1)c1ccccc1Cl ZINC000055195911 525148930 /nfs/dbraw/zinc/14/89/30/525148930.db2.gz OZIYLZWOANVMHY-AWEZNQCLSA-N 0 3 267.706 3.840 10 0 CHAEHN COc1ccc([C@H](N)c2ccc(Cl)s2)c(C)c1 ZINC000051171374 525363027 /nfs/dbraw/zinc/36/30/27/525363027.db2.gz IURNTDDXYAIDLS-ZDUSSCGKSA-N 0 3 267.781 3.767 10 0 CHAEHN Cc1ccc(Oc2c(F)cc(CN)cc2F)cc1C ZINC000062720379 525471663 /nfs/dbraw/zinc/47/16/63/525471663.db2.gz XODCGUVTJJJEHZ-UHFFFAOYSA-N 0 3 263.287 3.833 10 0 CHAEHN C[C@H](N[C@@H]1CCCCC[C@@H]1O)c1ccccc1Cl ZINC000049508657 525551352 /nfs/dbraw/zinc/55/13/52/525551352.db2.gz QKHACGMJYRFGAE-GLQYFDAESA-N 0 3 267.800 3.684 10 0 CHAEHN Cc1ccc2c(c1)nc(N)n2[C@H](C)c1ccsc1 ZINC000061365086 526220123 /nfs/dbraw/zinc/22/01/23/526220123.db2.gz WSSUYBCTQVRIEY-SNVBAGLBSA-N 0 3 257.362 3.598 10 0 CHAEHN Fc1cc(Cl)ccc1-c1ncc(CNC2CC2)s1 ZINC000062786645 526299716 /nfs/dbraw/zinc/29/97/16/526299716.db2.gz IAIIRVLFJJBCSS-UHFFFAOYSA-N 0 3 282.771 3.855 10 0 CHAEHN Cc1csc(C[C@H](N)c2ccccc2C(F)(F)F)n1 ZINC000055267626 526367257 /nfs/dbraw/zinc/36/72/57/526367257.db2.gz IFCFDIRMJWIRJQ-NSHDSACASA-N 0 3 286.322 3.713 10 0 CHAEHN Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@H]1C[C@@H]1C ZINC000052274795 526660747 /nfs/dbraw/zinc/66/07/47/526660747.db2.gz VZYIWYKUZYFDHK-QXEWZRGKSA-N 0 3 252.427 3.808 10 0 CHAEHN NCc1ccc(Cl)cc1Oc1ccc(F)c(F)c1 ZINC000062787190 527254344 /nfs/dbraw/zinc/25/43/44/527254344.db2.gz XEWUMTXNKFENLX-UHFFFAOYSA-N 0 3 269.678 3.869 10 0 CHAEHN N[C@@]1(c2cc(F)ccc2F)CCCc2ccccc21 ZINC000055242659 527379066 /nfs/dbraw/zinc/37/90/66/527379066.db2.gz VBJHJRGXDOCMJN-INIZCTEOSA-N 0 3 259.299 3.503 10 0 CHAEHN N[C@H](Cc1cccc(Cl)c1)c1ccc(F)cc1F ZINC000052944410 527388630 /nfs/dbraw/zinc/38/86/30/527388630.db2.gz IIVRTLVEYMHLEM-CQSZACIVSA-N 0 3 267.706 3.861 10 0 CHAEHN N[C@H](c1ccc(Cl)cc1)c1cncc(Br)c1 ZINC000057343903 527390751 /nfs/dbraw/zinc/39/07/51/527390751.db2.gz BPCRWFXOWSZIGU-GFCCVEGCSA-N 0 3 297.583 3.546 10 0 CHAEHN N[C@H]1CCCc2nc(-c3c(F)cccc3Cl)sc21 ZINC000052903485 527410113 /nfs/dbraw/zinc/41/01/13/527410113.db2.gz MTVJYDOAVLJQGU-VIFPVBQESA-N 0 3 282.771 3.939 10 0 CHAEHN CCOC(=O)CC[C@H](C)Nc1cc(C)nc2ccccc21 ZINC000301840345 528760665 /nfs/dbraw/zinc/76/06/65/528760665.db2.gz AOIMPBFROVYFNW-LBPRGKRZSA-N 0 3 286.375 3.687 10 0 CHAEHN CN1Cc2ccccc2[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000026501186 570232327 /nfs/dbraw/zinc/23/23/27/570232327.db2.gz WRNKIDLXXXIELU-IEBWSBKVSA-N 0 3 274.367 3.670 10 0 investigational CHAEHN CC[C@@H](C)[C@H](C)N(CC(=O)Nc1ccccc1F)C1CC1 ZINC000104967788 1125457578 /nfs/dbraw/zinc/45/75/78/1125457578.db2.gz WLTPXJDQSDRYRE-OLZOCXBDSA-N 0 3 292.398 3.663 10 0 CHAEHN C/C(=C/c1ccccc1)CNCc1ccc(Cl)cn1 ZINC000588386976 1120499698 /nfs/dbraw/zinc/49/96/98/1120499698.db2.gz GTZDOZHSTVROMR-LCYFTJDESA-N 0 3 272.779 3.928 10 0 CHAEHN Cc1cccc(-c2noc(CN3CCC[C@H]3C3CCC3)n2)c1 ZINC000102927662 1123595426 /nfs/dbraw/zinc/59/54/26/1123595426.db2.gz JFRRMDDMHROADO-INIZCTEOSA-N 0 3 297.402 3.810 10 0 CHAEHN CC(C)c1nc(Cc2ccc(Cl)cc2)sc1CN ZINC000082429601 178006609 /nfs/dbraw/zinc/00/66/09/178006609.db2.gz GYBGCDGICNTDPX-UHFFFAOYSA-N 0 3 280.824 3.969 10 0 CHAEHN CC(C)c1nc(N2CCCCCC2)sc1CNC1CC1 ZINC000082434991 178012073 /nfs/dbraw/zinc/01/20/73/178012073.db2.gz CZQBKRRHGTYTJG-UHFFFAOYSA-N 0 3 293.480 3.899 10 0 CHAEHN CC(C)(C)c1nc(-c2cccnc2)sc1CNC1CC1 ZINC000082439228 178018032 /nfs/dbraw/zinc/01/80/32/178018032.db2.gz SCMZHCAPGCVZMJ-UHFFFAOYSA-N 0 3 287.432 3.755 10 0 CHAEHN CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](CC(C)C)CN1 ZINC000095752837 185026759 /nfs/dbraw/zinc/02/67/59/185026759.db2.gz NBBAXAIIMROXQY-CABCVRRESA-N 0 3 298.471 3.656 10 0 CHAEHN CC(C)NCc1c(Cl)cccc1C(F)(F)F ZINC000083385605 178394458 /nfs/dbraw/zinc/39/44/58/178394458.db2.gz JDKJIZQLABXMCN-UHFFFAOYSA-N 0 3 251.679 3.857 10 0 CHAEHN CCCc1cc(OC)c2c(c1OC)[C@@H](C)NCC2(C)C ZINC000096889026 185124327 /nfs/dbraw/zinc/12/43/27/185124327.db2.gz VGKDDVPPVDOPBZ-LLVKDONJSA-N 0 3 277.408 3.598 10 0 CHAEHN O[C@@H]1CCCC[C@@H]1CNCc1c(Cl)cccc1Cl ZINC000085968547 260381832 /nfs/dbraw/zinc/38/18/32/260381832.db2.gz JRGYWYOIORPBOL-QMTHXVAHSA-N 0 3 288.218 3.634 10 0 CHAEHN CCN(CC)C[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000005848358 170146963 /nfs/dbraw/zinc/14/69/63/170146963.db2.gz MSKFOYBVZXTIDV-SFHVURJKSA-N 0 3 281.399 3.995 10 0 CHAEHN CC(C)NCc1nccn1Cc1ccc(Cl)cc1Cl ZINC000006689176 170226530 /nfs/dbraw/zinc/22/65/30/170226530.db2.gz RPGPEAPRESFKEM-UHFFFAOYSA-N 0 3 298.217 3.736 10 0 CHAEHN C[C@@H](N[C@@H](CN(C)C)c1ccccc1)c1ccccc1 ZINC000020129308 171016893 /nfs/dbraw/zinc/01/68/93/171016893.db2.gz MEBXHYYUBTYHNN-QAPCUYQASA-N 0 3 268.404 3.640 10 0 CHAEHN C[C@@H](N[C@H](CN(C)C)c1ccccc1)c1ccc(F)cc1 ZINC000020129360 171017360 /nfs/dbraw/zinc/01/73/60/171017360.db2.gz PLJNDDORYZAITQ-RDTXWAMCSA-N 0 3 286.394 3.779 10 0 CHAEHN C[C@H](NC1c2ccccc2-c2ccccc21)[C@H]1CCCO1 ZINC000020206413 171071013 /nfs/dbraw/zinc/07/10/13/171071013.db2.gz PKJBEXBXBOKRKI-SCLBCKFNSA-N 0 3 279.383 3.914 10 0 CHAEHN Cc1ccc([C@H](N)c2ccc3c(c2)CCC3)cc1F ZINC000020384606 171175174 /nfs/dbraw/zinc/17/51/74/171175174.db2.gz SOLFKLUBSCSJOU-QGZVFWFLSA-N 0 3 255.336 3.671 10 0 CHAEHN COc1ccc([C@H](N)c2ccc(C)cc2)cc1Cl ZINC000020521933 171235554 /nfs/dbraw/zinc/23/55/54/171235554.db2.gz ONALHHNOSFQZKM-OAHLLOKOSA-N 0 3 261.752 3.705 10 0 CHAEHN CC(C)c1cccc(O[C@@H]2COc3ccccc3[C@H]2N)c1 ZINC000020546445 171243940 /nfs/dbraw/zinc/24/39/40/171243940.db2.gz GQGOTYOCHLVRCI-QZTJIDSGSA-N 0 3 283.371 3.650 10 0 CHAEHN COc1ccc(C)cc1[C@@H](N)COc1cc(C)ccc1C ZINC000020546524 171244054 /nfs/dbraw/zinc/24/40/54/171244054.db2.gz XATVQBUXIVFECM-INIZCTEOSA-N 0 3 285.387 3.699 10 0 CHAEHN Cc1ccc([C@H](N)COc2cc(C)ccc2C)cc1 ZINC000020547304 171245110 /nfs/dbraw/zinc/24/51/10/171245110.db2.gz DWMRISYJOIWDFZ-MRXNPFEDSA-N 0 3 255.361 3.691 10 0 CHAEHN N[C@H]1c2ccccc2C[C@@H]1Oc1ccccc1C(F)(F)F ZINC000020563852 171252923 /nfs/dbraw/zinc/25/29/23/171252923.db2.gz HAGRLYNELFYYBN-GJZGRUSLSA-N 0 3 293.288 3.709 10 0 CHAEHN Fc1cccc(N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000020595850 171264721 /nfs/dbraw/zinc/26/47/21/171264721.db2.gz CIEOGISLVKTMAL-KRWDZBQOSA-N 0 3 270.351 3.512 10 0 CHAEHN CC[C@@H]1NCc2c3c(sc2-n2cccc21)CCCC3 ZINC000020864954 171276943 /nfs/dbraw/zinc/27/69/43/171276943.db2.gz BOVOQZHMPKTVBK-ZDUSSCGKSA-N 0 3 272.417 3.972 10 0 CHAEHN CCCOc1c(Cl)cc(CNCCOC)cc1Cl ZINC000020926475 171280210 /nfs/dbraw/zinc/28/02/10/171280210.db2.gz ANARIHQOTPFMSR-UHFFFAOYSA-N 0 3 292.206 3.518 10 0 CHAEHN N[C@H]1c2ccccc2CCC[C@H]1Oc1cccc(F)c1 ZINC000021008805 171285561 /nfs/dbraw/zinc/28/55/61/171285561.db2.gz BWTCVCSSOVLPCE-SJORKVTESA-N 0 3 271.335 3.609 10 0 CHAEHN CC[C@@H](Oc1ccc(C)cc1)[C@H](N)c1ccccc1 ZINC000021013112 171288458 /nfs/dbraw/zinc/28/84/58/171288458.db2.gz YFXWRBCYRWMRCS-IAGOWNOFSA-N 0 3 255.361 3.852 10 0 CHAEHN CC(C)CCOC[C@H](N)c1ccc(CC(C)C)cc1 ZINC000021020175 171290592 /nfs/dbraw/zinc/29/05/92/171290592.db2.gz WBRQUWFEJWHWMV-KRWDZBQOSA-N 0 3 263.425 3.948 10 0 CHAEHN CC(C)(C)c1ccc(O[C@@H]2Cc3ccccc3[C@@H]2N)cc1 ZINC000021504120 171306985 /nfs/dbraw/zinc/30/69/85/171306985.db2.gz BVTRZYUXHYGDRH-MSOLQXFVSA-N 0 3 281.399 3.988 10 0 CHAEHN CC[C@H]1CCCC[C@@H]1OC[C@@H](N)c1ccc(C)cc1 ZINC000021508600 171309196 /nfs/dbraw/zinc/30/91/96/171309196.db2.gz REMOWKPXBYFBDZ-UAGQMJEPSA-N 0 3 261.409 3.980 10 0 CHAEHN CCOc1ccc([C@H](N)COc2ccc(CC)cc2)cc1 ZINC000021809347 171328658 /nfs/dbraw/zinc/32/86/58/171328658.db2.gz KBVTWYYRSMIJMB-GOSISDBHSA-N 0 3 285.387 3.727 10 0 CHAEHN Cc1ccc(OC[C@@H](N)c2ccccc2C)c(C)c1 ZINC000021809353 171328692 /nfs/dbraw/zinc/32/86/92/171328692.db2.gz BAPUWYCQPISTRV-MRXNPFEDSA-N 0 3 255.361 3.691 10 0 CHAEHN Cc1cccc(C(=O)Nc2ccccc2[C@H](C)N)c1C ZINC000022220649 171377969 /nfs/dbraw/zinc/37/79/69/171377969.db2.gz CTHONUFRIKDXPB-ZDUSSCGKSA-N 0 3 268.360 3.575 10 0 CHAEHN N[C@@H]1c2ccccc2CCC[C@H]1Oc1ccccc1F ZINC000022566169 171391847 /nfs/dbraw/zinc/39/18/47/171391847.db2.gz BCSDTOLODYHELK-IAGOWNOFSA-N 0 3 271.335 3.609 10 0 CHAEHN N[C@@H]1c2ccccc2CCC[C@@H]1n1cnc2ccccc21 ZINC000022566325 171391905 /nfs/dbraw/zinc/39/19/05/171391905.db2.gz PQJNXJRFBMYEMX-ZWKOTPCHSA-N 0 3 277.371 3.614 10 0 CHAEHN FC(F)(F)[C@H]1CCCC[C@H]1NCc1ccccc1 ZINC000035258020 172089402 /nfs/dbraw/zinc/08/94/02/172089402.db2.gz WJWVGHURQIOEQY-QWHCGFSZSA-N 0 3 257.299 3.897 10 0 CHAEHN FC(F)(F)[C@H]1CCCC[C@@H]1NCc1ccccc1 ZINC000035258021 172089767 /nfs/dbraw/zinc/08/97/67/172089767.db2.gz WJWVGHURQIOEQY-STQMWFEESA-N 0 3 257.299 3.897 10 0 CHAEHN Cc1ccccc1CNc1ccccc1CN(C)C ZINC000035276658 172096469 /nfs/dbraw/zinc/09/64/69/172096469.db2.gz YJYSIGRGEZPXGI-UHFFFAOYSA-N 0 3 254.377 3.669 10 0 CHAEHN COc1ccc([C@@H](N)c2cc3c(s2)CCC3)c(C)c1 ZINC000035381200 172163193 /nfs/dbraw/zinc/16/31/93/172163193.db2.gz GWIDDWZVDMMPBP-MRXNPFEDSA-N 0 3 273.401 3.602 10 0 CHAEHN COc1ccc([C@H](N)c2sccc2C)cc1Cl ZINC000035381592 172164661 /nfs/dbraw/zinc/16/46/61/172164661.db2.gz GNNFMNHXHXKUCR-LBPRGKRZSA-N 0 3 267.781 3.767 10 0 CHAEHN C[C@H](N)c1ccc2ccccc2c1OCc1cccnc1 ZINC000035427331 172194636 /nfs/dbraw/zinc/19/46/36/172194636.db2.gz BOLKTKXNPCHJHC-ZDUSSCGKSA-N 0 3 278.355 3.834 10 0 CHAEHN CN[C@@H](c1ccc(C)s1)c1ccc2c(c1)CCC2 ZINC000035458970 172208313 /nfs/dbraw/zinc/20/83/13/172208313.db2.gz UIZRNJPYKQYHAA-MRXNPFEDSA-N 0 3 257.402 3.854 10 0 CHAEHN CN[C@H](c1ccsc1)c1ccc(OC)c(Cl)c1 ZINC000035461578 172209853 /nfs/dbraw/zinc/20/98/53/172209853.db2.gz QZJRRDZJKAJYGU-ZDUSSCGKSA-N 0 3 267.781 3.719 10 0 CHAEHN CN[C@@H](c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000035462897 172210611 /nfs/dbraw/zinc/21/06/11/172210611.db2.gz LDWYKYHZEGNHCL-CQSZACIVSA-N 0 3 294.167 3.897 10 0 CHAEHN CN[C@H](c1sccc1C)c1cc(F)ccc1F ZINC000035468573 172217436 /nfs/dbraw/zinc/21/74/36/172217436.db2.gz ABDBTRUEXKRKNA-LBPRGKRZSA-N 0 3 253.317 3.644 10 0 CHAEHN CN[C@H](c1ccc(C)cc1C)c1ccccc1OC ZINC000035468238 172217701 /nfs/dbraw/zinc/21/77/01/172217701.db2.gz VOYUFCCFOMCDLV-QGZVFWFLSA-N 0 3 255.361 3.621 10 0 CHAEHN CN[C@@H](c1sccc1C)c1ccc(F)cc1F ZINC000035491526 172225282 /nfs/dbraw/zinc/22/52/82/172225282.db2.gz ABMOVUZJQKIUEO-GFCCVEGCSA-N 0 3 253.317 3.644 10 0 CHAEHN CN[C@H](c1ccc(Cl)s1)[C@H]1Cc2ccccc2O1 ZINC000035498173 172231119 /nfs/dbraw/zinc/23/11/19/172231119.db2.gz JZRFZIIRUAPRAF-RISCZKNCSA-N 0 3 279.792 3.666 10 0 CHAEHN CN[C@@H](c1ccc(Cl)s1)c1ccc(OC)cc1 ZINC000035498408 172232279 /nfs/dbraw/zinc/23/22/79/172232279.db2.gz CUCIJDHMQDLNCZ-CYBMUJFWSA-N 0 3 267.781 3.719 10 0 CHAEHN CN[C@H](c1cc(F)ccc1OC)C1CCCCC1 ZINC000035499247 172232700 /nfs/dbraw/zinc/23/27/00/172232700.db2.gz RKYVUBZJMDRCON-HNNXBMFYSA-N 0 3 251.345 3.675 10 0 CHAEHN CC[C@H](C)[C@@H](NC)c1cc2c(cc1Cl)OCCCO2 ZINC000035501153 172235226 /nfs/dbraw/zinc/23/52/26/172235226.db2.gz AWHULWFWNZJNGX-ZUZCIYMTSA-N 0 3 283.799 3.808 10 0 CHAEHN CC[C@H](C)[C@H](NC)c1cc(OC)c(OC)cc1Cl ZINC000035501251 172235873 /nfs/dbraw/zinc/23/58/73/172235873.db2.gz GHLWKVMFBNNIIF-XPTSAGLGSA-N 0 3 271.788 3.664 10 0 CHAEHN CCCC[C@H](NC)c1cc(OC)c(OC)cc1Cl ZINC000035501206 172236006 /nfs/dbraw/zinc/23/60/06/172236006.db2.gz DTKYVWXIQBGQJC-LBPRGKRZSA-N 0 3 271.788 3.808 10 0 CHAEHN CCN[C@@H](c1ccc(C)s1)c1ccc(OC)cc1 ZINC000035510333 172241875 /nfs/dbraw/zinc/24/18/75/172241875.db2.gz MCFDQLGTTBCSNK-OAHLLOKOSA-N 0 3 261.390 3.764 10 0 CHAEHN CCN[C@@H](CC(F)(F)F)c1ccc(OC)c(Cl)c1 ZINC000035538702 172244825 /nfs/dbraw/zinc/24/48/25/172244825.db2.gz XKRWWGIWVSNMIN-JTQLQIEISA-N 0 3 281.705 3.952 10 0 CHAEHN CCN[C@@H](CC(F)(F)F)c1ccc(Cl)cc1 ZINC000035540389 172246662 /nfs/dbraw/zinc/24/66/62/172246662.db2.gz OGOSXZZNZXFXGN-JTQLQIEISA-N 0 3 251.679 3.943 10 0 CHAEHN CCN[C@@H](c1cccs1)c1cc2c(s1)CCC2 ZINC000035545258 172253275 /nfs/dbraw/zinc/25/32/75/172253275.db2.gz PHPBAVXCILTOKF-AWEZNQCLSA-N 0 3 263.431 3.997 10 0 CHAEHN CCN[C@H](CC)c1cc2c(cc1Cl)OCCCO2 ZINC000035557328 172262406 /nfs/dbraw/zinc/26/24/06/172262406.db2.gz VMQKUMASYCOMLK-GFCCVEGCSA-N 0 3 269.772 3.562 10 0 CHAEHN CCN[C@H](c1cc(OC)c(OC)cc1Cl)C(C)C ZINC000035557528 172262593 /nfs/dbraw/zinc/26/25/93/172262593.db2.gz ZFKBWMYVVMTABX-AWEZNQCLSA-N 0 3 271.788 3.664 10 0 CHAEHN CCN[C@H](Cc1ncc[nH]1)c1c(Cl)cccc1Cl ZINC000035570521 172266578 /nfs/dbraw/zinc/26/65/78/172266578.db2.gz VXDAAZWLNDXWOS-LLVKDONJSA-N 0 3 284.190 3.610 10 0 CHAEHN CCN[C@@H](c1cccs1)c1ccc(OC)c(C)c1 ZINC000035571365 172266981 /nfs/dbraw/zinc/26/69/81/172266981.db2.gz NKAPPMDUBPCERY-OAHLLOKOSA-N 0 3 261.390 3.764 10 0 CHAEHN CCN[C@H](CC)c1cc(Br)ccc1OCC ZINC000035571163 172267722 /nfs/dbraw/zinc/26/77/22/172267722.db2.gz ZVGNJTZZPQPUIJ-GFCCVEGCSA-N 0 3 286.213 3.908 10 0 CHAEHN CCCN[C@@H](c1cccs1)c1cccc(OC)c1 ZINC000035581256 172277232 /nfs/dbraw/zinc/27/72/32/172277232.db2.gz FBHTXQPVERTWNT-OAHLLOKOSA-N 0 3 261.390 3.846 10 0 CHAEHN CCCN[C@H](c1cccs1)c1cccc(OC)c1 ZINC000035581255 172277459 /nfs/dbraw/zinc/27/74/59/172277459.db2.gz FBHTXQPVERTWNT-HNNXBMFYSA-N 0 3 261.390 3.846 10 0 CHAEHN CCCN[C@H](c1ccoc1C)c1ccc(F)c(F)c1 ZINC000035582366 172279953 /nfs/dbraw/zinc/27/99/53/172279953.db2.gz INKDSGSQMUNZMA-HNNXBMFYSA-N 0 3 265.303 3.955 10 0 CHAEHN CCN[C@H]1CCCOc2c(Cl)cc(Cl)cc21 ZINC000035654179 172330174 /nfs/dbraw/zinc/33/01/74/172330174.db2.gz YEKMTTLMDMKTRT-NSHDSACASA-N 0 3 260.164 3.817 10 0 CHAEHN Cc1cc(C)c([C@H](C)NCc2ccccc2)c(C)n1 ZINC000037187738 173018545 /nfs/dbraw/zinc/01/85/45/173018545.db2.gz DYPHNTPDFIGZBA-AWEZNQCLSA-N 0 3 254.377 3.858 10 0 CHAEHN Cc1ccc(C(=O)[C@H](C)N(C)[C@@H](C)C(C)C)cc1C ZINC000037339084 173140039 /nfs/dbraw/zinc/14/00/39/173140039.db2.gz WGIHDUASLBKQJU-GJZGRUSLSA-N 0 3 261.409 3.851 10 0 CHAEHN CC[C@H](C)c1ccc(N[C@H]2CN3CCC2CC3)cc1 ZINC000037413371 173190067 /nfs/dbraw/zinc/19/00/67/173190067.db2.gz WOLVWZMMSQAXPR-GUYCJALGSA-N 0 3 258.409 3.706 10 0 CHAEHN CCCn1c2ccc(C)cc2nc1[C@@H](N)[C@@H](C)CC ZINC000037438358 173209005 /nfs/dbraw/zinc/20/90/05/173209005.db2.gz RMSLVSSUFUKPNH-WFASDCNBSA-N 0 3 259.397 3.801 10 0 CHAEHN CCCn1c2ccc(Br)cc2nc1[C@H](N)CC ZINC000037441613 173210943 /nfs/dbraw/zinc/21/09/43/173210943.db2.gz YPAGSISJOADPRT-SNVBAGLBSA-N 0 3 296.212 3.619 10 0 CHAEHN CCCn1c2cccc(F)c2nc1[C@](C)(N)CCC ZINC000037442727 173211271 /nfs/dbraw/zinc/21/12/71/173211271.db2.gz LHKGVPFVQRPHGE-OAHLLOKOSA-N 0 3 263.360 3.559 10 0 CHAEHN CC(C)[C@H](N)c1nc2cccc(Cl)c2n1C1CC1 ZINC000037444420 173212120 /nfs/dbraw/zinc/21/21/20/173212120.db2.gz ZCAKNSUGLBKVFG-LBPRGKRZSA-N 0 3 263.772 3.680 10 0 CHAEHN Cc1cccc([C@@H](N)c2cccc(Br)c2)c1 ZINC000037466572 173226558 /nfs/dbraw/zinc/22/65/58/173226558.db2.gz OUMWHMYLUPHGKW-CQSZACIVSA-N 0 3 276.177 3.806 10 0 CHAEHN CCNCc1ccc(-c2cccc(OC)c2)cc1F ZINC000038071489 174082225 /nfs/dbraw/zinc/08/22/25/174082225.db2.gz JHIPHOMIYNDCHT-UHFFFAOYSA-N 0 3 259.324 3.611 10 0 CHAEHN CNCc1cc(-c2ccccc2Cl)ccc1OC ZINC000038078212 174087931 /nfs/dbraw/zinc/08/79/31/174087931.db2.gz ZRGFGWANNDCJBT-UHFFFAOYSA-N 0 3 261.752 3.735 10 0 CHAEHN CCCNCc1cc(Cl)cc(OC)c1OC(C)C ZINC000040728316 174387754 /nfs/dbraw/zinc/38/77/54/174387754.db2.gz VZUYWZFZRGUKCH-UHFFFAOYSA-N 0 3 271.788 3.635 10 0 CHAEHN NCc1c(F)cccc1OCc1ccc(Cl)cc1 ZINC000044248569 175156343 /nfs/dbraw/zinc/15/63/43/175156343.db2.gz IIKSMMFCPXYVAV-UHFFFAOYSA-N 0 3 265.715 3.517 10 0 CHAEHN Cc1nc(-c2ccc(C)cc2)sc1CNC1CC1 ZINC000045205722 175327766 /nfs/dbraw/zinc/32/77/66/175327766.db2.gz YZDPXKCHSPJONR-UHFFFAOYSA-N 0 3 258.390 3.679 10 0 CHAEHN C[C@H](N)c1csc(-c2ccccc2Br)n1 ZINC000070840427 176008454 /nfs/dbraw/zinc/00/84/54/176008454.db2.gz OTEVNULWQMUQPB-ZETCQYMHSA-N 0 3 283.194 3.592 10 0 CHAEHN C[C@@H](N)c1cc(F)ccc1Oc1cc(F)ccc1F ZINC000071167885 176049393 /nfs/dbraw/zinc/04/93/93/176049393.db2.gz LDOGHDPCAJETDZ-MRVPVSSYSA-N 0 3 267.250 3.916 10 0 CHAEHN C[C@@H]1CCC[C@@H]1NC1=NC[C@H](c2ccccc2)S1 ZINC000071208729 176081261 /nfs/dbraw/zinc/08/12/61/176081261.db2.gz LNFXMHZRGLMFJT-KWCYVHTRSA-N 0 3 260.406 3.609 10 0 CHAEHN CNCc1ncc(-c2ccc(CC(C)C)cc2)s1 ZINC000071586927 176213715 /nfs/dbraw/zinc/21/37/15/176213715.db2.gz DUFHDGWKRTUZSN-UHFFFAOYSA-N 0 3 260.406 3.728 10 0 CHAEHN COc1ccc2c(c1)C(C)(C)CN[C@@H]2COc1ccccc1 ZINC000071652003 176241693 /nfs/dbraw/zinc/24/16/93/176241693.db2.gz AFFLDWFOFIRJIG-GOSISDBHSA-N 0 3 297.398 3.696 10 0 CHAEHN COc1ccc([C@H]2NCC(C)(C)c3cc(OC)ccc32)cc1 ZINC000071652001 176241813 /nfs/dbraw/zinc/24/18/13/176241813.db2.gz COTCOLAHSGCODS-GOSISDBHSA-N 0 3 297.398 3.674 10 0 CHAEHN CCN[C@@H](C)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000076784577 177091728 /nfs/dbraw/zinc/09/17/28/177091728.db2.gz VWBBDGXIIYCYIP-QMMMGPOBSA-N 0 3 268.332 3.759 10 0 CHAEHN C[C@H](N)c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000076784719 177092515 /nfs/dbraw/zinc/09/25/15/177092515.db2.gz PKSCZLCSMAAICM-ZETCQYMHSA-N 0 3 272.295 3.849 10 0 CHAEHN CCn1cccc1CN[C@@H]1CCCc2ccccc21 ZINC000091022922 260265333 /nfs/dbraw/zinc/26/53/33/260265333.db2.gz MUXMKUWJISMNHI-QGZVFWFLSA-N 0 3 254.377 3.675 10 0 CHAEHN Fc1ccc2c(c1)CC[C@@H]2N[C@H]1CCOc2ccccc21 ZINC000128476946 260374657 /nfs/dbraw/zinc/37/46/57/260374657.db2.gz XFINKCXLQONRPW-IRXDYDNUSA-N 0 3 283.346 3.926 10 0 CHAEHN C[C@@H](C(=O)Nc1ccccc1Cl)[C@@H](N)c1ccccc1 ZINC000130066896 260392964 /nfs/dbraw/zinc/39/29/64/260392964.db2.gz KUAIJHQNGSLNCW-IAQYHMDHSA-N 0 3 288.778 3.615 10 0 CHAEHN Cc1cnn([C@H]2CCCN(Cc3cc(C)ccc3C)C2)c1 ZINC000106225151 261323436 /nfs/dbraw/zinc/32/34/36/261323436.db2.gz IZUIRIOADIQMTM-SFHVURJKSA-N 0 3 283.419 3.645 10 0 CHAEHN C[C@H](COCc1ccccc1)N[C@H](C)c1ccco1 ZINC000178065315 261375638 /nfs/dbraw/zinc/37/56/38/261375638.db2.gz WJOQXYVXNGWUIR-ZIAGYGMSSA-N 0 3 259.349 3.536 10 0 CHAEHN CC(C)CCOc1ccc(CN[C@@H](C)[C@H]2CCCO2)cc1 ZINC000020549343 262249341 /nfs/dbraw/zinc/24/93/41/262249341.db2.gz PZQUGNNDJZIKJZ-MAUKXSAKSA-N 0 3 291.435 3.769 10 0 CHAEHN C[C@H]1CC[C@@H](NCc2cncs2)c2ccccc21 ZINC000132251688 264386458 /nfs/dbraw/zinc/38/64/58/264386458.db2.gz OQLZCTFQFKKMQT-XHDPSFHLSA-N 0 3 258.390 3.871 10 0 CHAEHN Cc1ccc([C@H](C)NC2CCN(c3cccs3)CC2)o1 ZINC000168465092 266662439 /nfs/dbraw/zinc/66/24/39/266662439.db2.gz PUDPUHLCYHFKRF-ZDUSSCGKSA-N 0 3 290.432 3.969 10 0 CHAEHN Cc1ccc([C@@H](C)NCc2ccncc2C)cc1C ZINC000228659287 267112374 /nfs/dbraw/zinc/11/23/74/267112374.db2.gz YHNRTUBKFQTAKO-OAHLLOKOSA-N 0 3 254.377 3.858 10 0 CHAEHN COc1ccc(OCCN2CCC[C@@H]2c2ccco2)cc1 ZINC000116299069 267137229 /nfs/dbraw/zinc/13/72/29/267137229.db2.gz FKLNMASFUUFUOF-MRXNPFEDSA-N 0 3 287.359 3.504 10 0 CHAEHN c1n[nH]cc1[C@H]1CCCCN1CCSc1ccccc1 ZINC000117883784 267224346 /nfs/dbraw/zinc/22/43/46/267224346.db2.gz AHYYBXBLGXSPJQ-MRXNPFEDSA-N 0 3 287.432 3.729 10 0 CHAEHN Cc1cnc([C@H](C)N[C@H]2C[C@H](C)CC(C)(C)C2)o1 ZINC000300417918 267403362 /nfs/dbraw/zinc/40/33/62/267403362.db2.gz AQVNZLDMUMSCBL-DRZSPHRISA-N 0 3 250.386 3.848 10 0 CHAEHN C[C@@H](NC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1F ZINC000280898568 328236892 /nfs/dbraw/zinc/23/68/92/328236892.db2.gz BKTDAANJQZNRRT-YVECIDJPSA-N 0 3 283.362 3.819 10 0 CHAEHN CCCc1ccc(-c2csc(CNCC)n2)cc1 ZINC000053294443 326867783 /nfs/dbraw/zinc/86/77/83/326867783.db2.gz GPNVXEKSIMLGJD-UHFFFAOYSA-N 0 3 260.406 3.872 10 0 CHAEHN CCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000036959789 326878267 /nfs/dbraw/zinc/87/82/67/326878267.db2.gz GZCRXJSIKXJXKA-ZIAGYGMSSA-N 0 3 290.451 3.549 10 0 CHAEHN CCn1cncc1CN[C@H](C)c1ccc(C(C)C)cc1 ZINC000090170973 327145184 /nfs/dbraw/zinc/14/51/84/327145184.db2.gz XQFULBSIUNFGAB-CQSZACIVSA-N 0 3 271.408 3.877 10 0 CHAEHN CSCCCN1CCCC[C@H]1c1ccc(C)o1 ZINC000173796417 329152425 /nfs/dbraw/zinc/15/24/25/329152425.db2.gz UIMYGKAJMWSYDI-ZDUSSCGKSA-N 0 3 253.411 3.868 10 0 CHAEHN CN(C)c1ccccc1CN1CCC[C@@H]1c1ccco1 ZINC000173759501 329148150 /nfs/dbraw/zinc/14/81/50/329148150.db2.gz SHCAFHXYVPIDBV-MRXNPFEDSA-N 0 3 270.376 3.683 10 0 CHAEHN CCOC[C@H](C)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000178727735 329200317 /nfs/dbraw/zinc/20/03/17/329200317.db2.gz OUFYWGODUSTBNQ-GOEBONIOSA-N 0 3 289.419 3.838 10 0 CHAEHN C/C(=C\c1ccccc1)CN1CCC(c2cc[nH]n2)CC1 ZINC000179850078 329212807 /nfs/dbraw/zinc/21/28/07/329212807.db2.gz WRMFYJCEBOEGCL-FYWRMAATSA-N 0 3 281.403 3.693 10 0 CHAEHN Cc1cc(CN2CCC(c3cc[nH]n3)CC2)ccc1Cl ZINC000180427484 329216598 /nfs/dbraw/zinc/21/65/98/329216598.db2.gz GYFXADXLBJIXFJ-UHFFFAOYSA-N 0 3 289.810 3.751 10 0 CHAEHN Cn1cc([C@H]2CCCN2CCCCc2ccccc2)cn1 ZINC000186947057 329350531 /nfs/dbraw/zinc/35/05/31/329350531.db2.gz NQVPEHXAHBXKAM-GOSISDBHSA-N 0 3 283.419 3.580 10 0 CHAEHN c1cnn([C@@H]2CCCC[C@@H]2N[C@@H]2CCCc3occc32)c1 ZINC000192923825 329436312 /nfs/dbraw/zinc/43/63/12/329436312.db2.gz QLKIWJXMHLZGKR-OWCLPIDISA-N 0 3 285.391 3.627 10 0 CHAEHN CCC[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1ccsc1 ZINC000249093393 329904548 /nfs/dbraw/zinc/90/45/48/329904548.db2.gz NWIXIRBYOCFXHM-GVDBMIGSSA-N 0 3 287.428 3.837 10 0 CHAEHN Clc1ccc2nc(CNCC3CCCCC3)cn2c1 ZINC000105855839 330329890 /nfs/dbraw/zinc/32/98/90/330329890.db2.gz NUNIJZQRGXFGRP-UHFFFAOYSA-N 0 3 277.799 3.658 10 0 CHAEHN Cc1cc(CN[C@@H]2C[C@H](C)CC[C@H]2C(C)C)on1 ZINC000249797651 334340563 /nfs/dbraw/zinc/34/05/63/334340563.db2.gz AXCJMAQWSHRMHP-BYCMXARLSA-N 0 3 250.386 3.533 10 0 CHAEHN COc1ccc([C@H](N[C@@H]2C[C@H]2C)c2ccccc2)cc1 ZINC000249880918 334341737 /nfs/dbraw/zinc/34/17/37/334341737.db2.gz NJRUKFLQLJEMRZ-FSPWUOQZSA-N 0 3 267.372 3.783 10 0 CHAEHN Cc1cc2c(cc1C)[C@H](N[C@@H](C)[C@H]1CCCO1)CCS2 ZINC000249876790 334341754 /nfs/dbraw/zinc/34/17/54/334341754.db2.gz HAIXMMKOUORHEU-NUEKZKHPSA-N 0 3 291.460 3.997 10 0 CHAEHN COc1cccc([C@@H](C)N[C@H](C)COCc2ccccc2)c1 ZINC000177385559 333058347 /nfs/dbraw/zinc/05/83/47/333058347.db2.gz LUPITMAPMSLBKH-HZPDHXFCSA-N 0 3 299.414 3.951 10 0 CHAEHN CCCC[C@H](CC)CNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000226814440 333270364 /nfs/dbraw/zinc/27/03/64/333270364.db2.gz NMQAPUWDZLOTNK-HLLBOEOZSA-N 0 3 290.451 3.655 10 0 CHAEHN Cn1cccc1CN[C@@H]1c2ccccc2CCC1(C)C ZINC000131760068 333965795 /nfs/dbraw/zinc/96/57/95/333965795.db2.gz OHTFRIHCFHMWCO-QGZVFWFLSA-N 0 3 268.404 3.828 10 0 CHAEHN CC(C)c1ccc([C@H](C)NC(=O)[C@]2(C)CCCCN2)cc1 ZINC000136141673 334148044 /nfs/dbraw/zinc/14/80/44/334148044.db2.gz CBSLYEHTGGNMHY-KSSFIOAISA-N 0 3 288.435 3.519 10 0 CHAEHN Cn1cc([C@@H]2CCCN2[C@H]2CCCc3ccc(F)cc32)cn1 ZINC000245514187 334199244 /nfs/dbraw/zinc/19/92/44/334199244.db2.gz PGTBBXFQSZZWJE-ROUUACIJSA-N 0 3 299.393 3.774 10 0 CHAEHN Cn1cc([C@H]2CCCN2[C@H]2CCCc3ccc(F)cc32)cn1 ZINC000245514186 334199287 /nfs/dbraw/zinc/19/92/87/334199287.db2.gz PGTBBXFQSZZWJE-MSOLQXFVSA-N 0 3 299.393 3.774 10 0 CHAEHN Cc1c([C@H](C)N[C@@H]2C[C@H]2C)cnn1-c1cccc(Cl)c1 ZINC000246892776 334271388 /nfs/dbraw/zinc/27/13/88/334271388.db2.gz DUUKSUPWKPTKJD-OHUAYANFSA-N 0 3 289.810 3.893 10 0 CHAEHN CCN1CCC[C@@H](N[C@H](C)c2ccc(Cl)s2)C1 ZINC000249612939 334338162 /nfs/dbraw/zinc/33/81/62/334338162.db2.gz HEAVZBNUVITJCC-GHMZBOCLSA-N 0 3 272.845 3.536 10 0 CHAEHN CCN1CCC[C@@H](N[C@H](C)c2csc(Cl)c2)C1 ZINC000248690443 334313532 /nfs/dbraw/zinc/31/35/32/334313532.db2.gz IYHLKBDCMSNSBD-ZYHUDNBSSA-N 0 3 272.845 3.536 10 0 CHAEHN CCC[C@@H]1C[C@H]1NCc1ccc(Br)s1 ZINC000165032893 334891712 /nfs/dbraw/zinc/89/17/12/334891712.db2.gz PCCPKDCXAGWMTI-PSASIEDQSA-N 0 3 274.227 3.789 10 0 CHAEHN CC(C)C[C@@H](C)N(C)c1ccc(Cl)cc1CN ZINC000052857446 519772585 /nfs/dbraw/zinc/77/25/85/519772585.db2.gz WOIVFIYRCNAXOC-LLVKDONJSA-N 0 3 254.805 3.670 10 0 CHAEHN CCCCN(CCCC)c1nc2c(s1)[C@@H](N)CCC2 ZINC000054894874 520499560 /nfs/dbraw/zinc/49/95/60/520499560.db2.gz MGKCFCNJMZVREF-LBPRGKRZSA-N 0 3 281.469 3.886 10 0 CHAEHN CCCN(c1nc2c(s1)[C@H](N)CC(C)(C)C2)C(C)C ZINC000054895209 521697635 /nfs/dbraw/zinc/69/76/35/521697635.db2.gz JBRNGAZJRCZKKE-LLVKDONJSA-N 0 3 281.469 3.740 10 0 CHAEHN CCNCc1c(C)nc(-c2ccccc2Cl)nc1C ZINC000054854102 519983000 /nfs/dbraw/zinc/98/30/00/519983000.db2.gz VEBDEFWSQWUWRJ-UHFFFAOYSA-N 0 3 275.783 3.523 10 0 CHAEHN CCCN[C@H](C)c1nc2ccc(F)cc2n1C1CC1 ZINC000062366585 520067275 /nfs/dbraw/zinc/06/72/75/520067275.db2.gz QOQOYZVVDARKLA-SNVBAGLBSA-N 0 3 261.344 3.571 10 0 CHAEHN CCCOc1ccc(-c2ncc(CNCC)s2)cc1 ZINC000052919536 520318419 /nfs/dbraw/zinc/31/84/19/520318419.db2.gz RFMLHWGVSDOTIY-UHFFFAOYSA-N 0 3 276.405 3.708 10 0 CHAEHN CCCCOc1cc(OC)ccc1CNC(C)(C)C ZINC000062733093 520848583 /nfs/dbraw/zinc/84/85/83/520848583.db2.gz SKKIBXSLKCSDQR-UHFFFAOYSA-N 0 3 265.397 3.762 10 0 CHAEHN CCC[C@H](NCc1c(C)n[nH]c1C)c1cccs1 ZINC000049541540 521161907 /nfs/dbraw/zinc/16/19/07/521161907.db2.gz RNBJHMAYEFPBSB-ZDUSSCGKSA-N 0 3 263.410 3.719 10 0 CHAEHN CCN(c1nc(C)c([C@@H](C)N)s1)c1ccc(F)cc1 ZINC000054896923 521504237 /nfs/dbraw/zinc/50/42/37/521504237.db2.gz NZBVOLFFHQCEMF-SECBINFHSA-N 0 3 279.384 3.768 10 0 CHAEHN CC[C@@H](C)CNC1=NC2(CS1)CCC(C)CC2 ZINC000054489032 521995325 /nfs/dbraw/zinc/99/53/25/521995325.db2.gz JCEDAEVXIUCRKW-LKSINWNRSA-N 0 3 254.443 3.674 10 0 CHAEHN CN[C@@H](C[C@H]1CCCO1)c1cccc(Cl)c1Cl ZINC000055223492 522359192 /nfs/dbraw/zinc/35/91/92/522359192.db2.gz RKABYINZNUTEAQ-SKDRFNHKSA-N 0 3 274.191 3.823 10 0 CHAEHN CN[C@H](CCc1ccccc1)c1nc(C)c(C)s1 ZINC000061625698 522465803 /nfs/dbraw/zinc/46/58/03/522465803.db2.gz XKGSRENYKIZTNV-CQSZACIVSA-N 0 3 260.406 3.653 10 0 CHAEHN Cc1cc(C)cc(C[C@H](N)c2ccc(F)cc2F)c1 ZINC000055239220 524399983 /nfs/dbraw/zinc/39/99/83/524399983.db2.gz GBKSTIIORSPWBC-INIZCTEOSA-N 0 3 261.315 3.824 10 0 CHAEHN C[C@@H]1CCC[C@H](Sc2nc3c(cc2CN)CCC3)C1 ZINC000054692441 524413802 /nfs/dbraw/zinc/41/38/02/524413802.db2.gz IXBZUWNFFSKTSX-RISCZKNCSA-N 0 3 276.449 3.700 10 0 CHAEHN Cc1ccc(F)c([C@]2(N)CCCc3ccccc32)c1 ZINC000055194047 524835773 /nfs/dbraw/zinc/83/57/73/524835773.db2.gz XEYPYULBRSPDIY-KRWDZBQOSA-N 0 3 255.336 3.673 10 0 CHAEHN C[C@@](N)(c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000055237016 525752117 /nfs/dbraw/zinc/75/21/17/525752117.db2.gz NGTNWMNFWHUTJL-CQSZACIVSA-N 0 3 267.706 3.840 10 0 CHAEHN Cc1ccc(C)c(-c2csc(C3(N)CCC3)n2)c1 ZINC000061713548 526256249 /nfs/dbraw/zinc/25/62/49/526256249.db2.gz HOSVJDRPGYRCDC-UHFFFAOYSA-N 0 3 258.390 3.765 10 0 CHAEHN Fc1ccccc1CN1CCC[C@@H](c2nccs2)C1 ZINC000157019539 526410918 /nfs/dbraw/zinc/41/09/18/526410918.db2.gz COYIZKKIUWYZSO-CYBMUJFWSA-N 0 3 276.380 3.662 10 0 CHAEHN Cc1oc(COc2c(C)ccc(C)c2C)cc1CN ZINC000052696942 526775167 /nfs/dbraw/zinc/77/51/67/526775167.db2.gz ZUDPJHNPXYUOSA-UHFFFAOYSA-N 0 3 259.349 3.551 10 0 CHAEHN Cc1nc(Cc2ccc(Cl)cc2)sc1CNC1CC1 ZINC000052330840 526927633 /nfs/dbraw/zinc/92/76/33/526927633.db2.gz UPYLRRROYJBRIE-UHFFFAOYSA-N 0 3 292.835 3.948 10 0 CHAEHN NCc1cc(Cl)ccc1Oc1cccc(F)c1F ZINC000062611030 527248766 /nfs/dbraw/zinc/24/87/66/527248766.db2.gz HMGAIKHBHCOGLL-UHFFFAOYSA-N 0 3 269.678 3.869 10 0 CHAEHN N[C@@H](Cc1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000053790453 527336199 /nfs/dbraw/zinc/33/61/99/527336199.db2.gz DUVWTDFFAJPIDC-NSHDSACASA-N 0 3 287.306 3.889 10 0 CHAEHN N[C@@H](c1ccc(C(F)(F)F)cc1)c1ccccc1F ZINC000062774590 527338632 /nfs/dbraw/zinc/33/86/32/527338632.db2.gz RVEFEJNBSMUUNT-ZDUSSCGKSA-N 0 3 269.241 3.893 10 0 CHAEHN N[C@@]1(c2cc(F)cc(F)c2)CCCc2ccccc21 ZINC000055194016 527378664 /nfs/dbraw/zinc/37/86/64/527378664.db2.gz DNXQLTFUPOXXMZ-MRXNPFEDSA-N 0 3 259.299 3.503 10 0 CHAEHN N[C@H](Cc1ccc(F)cc1Cl)c1cc(F)ccc1F ZINC000062607967 527388569 /nfs/dbraw/zinc/38/85/69/527388569.db2.gz VUOZQGFENDYLID-CQSZACIVSA-N 0 3 285.696 4.000 10 0 CHAEHN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@H](C)O)cc1 ZINC000036101988 566994780 /nfs/dbraw/zinc/99/47/80/566994780.db2.gz MFMDMCXGPNTPGW-HNNXBMFYSA-N 0 3 287.378 3.517 10 0 CHAEHN C=C(OCC)c1ccc(CNC2CC2)c(Cl)c1 ZINC000725267687 567219991 /nfs/dbraw/zinc/21/99/91/567219991.db2.gz XPSLZSKFUXKWJL-UHFFFAOYSA-N 0 3 251.757 3.599 10 0 CHAEHN CNCc1ccccc1OCc1ccc(F)cc1Cl ZINC000037702446 567880347 /nfs/dbraw/zinc/88/03/47/567880347.db2.gz CFYVJDUNIKNHIJ-UHFFFAOYSA-N 0 3 279.742 3.778 10 0 CHAEHN CCC1(C)CCN(CCOc2cncc(Cl)c2)CC1 ZINC000675075657 570368159 /nfs/dbraw/zinc/36/81/59/570368159.db2.gz CWDFQWXNTHISIH-UHFFFAOYSA-N 0 3 282.815 3.626 10 0 CHAEHN CCCN(CCC)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000105174864 1123034777 /nfs/dbraw/zinc/03/47/77/1123034777.db2.gz WQJFYSGLFHZJSU-UHFFFAOYSA-N 0 3 276.424 3.871 10 0 CHAEHN CC(C)c1nc(-c2c(F)cccc2F)sc1CN ZINC000082429857 178007522 /nfs/dbraw/zinc/00/75/22/178007522.db2.gz DRPDJOBPYAQRDB-UHFFFAOYSA-N 0 3 268.332 3.670 10 0 CHAEHN NCc1sc(CSc2ccccc2)nc1C1CC1 ZINC000082436035 178013324 /nfs/dbraw/zinc/01/33/24/178013324.db2.gz CDNRTTVXJBJZTE-UHFFFAOYSA-N 0 3 276.430 3.772 10 0 CHAEHN CCCOc1ccc2c(c1)[C@@H](NCC)CC(C)(C)O2 ZINC000082505903 178069947 /nfs/dbraw/zinc/06/99/47/178069947.db2.gz PYRJYMHZKVGLRR-AWEZNQCLSA-N 0 3 263.381 3.687 10 0 CHAEHN CN[C@@H]1CC(C)(C)Oc2c(Cl)cc(Cl)cc21 ZINC000082505659 178070112 /nfs/dbraw/zinc/07/01/12/178070112.db2.gz SBKCQYNQCMNMLD-SNVBAGLBSA-N 0 3 260.164 3.815 10 0 CHAEHN CCCNCc1cnn(-c2ccccc2C)c1C(F)(F)F ZINC000082661566 178148672 /nfs/dbraw/zinc/14/86/72/178148672.db2.gz XFCRDECVZPBRJH-UHFFFAOYSA-N 0 3 297.324 3.699 10 0 CHAEHN CNCc1cnn(-c2c(C)cc(C)cc2C)c1C(F)(F)F ZINC000082661890 178150411 /nfs/dbraw/zinc/15/04/11/178150411.db2.gz FZXYVZWHJPHRMJ-UHFFFAOYSA-N 0 3 297.324 3.536 10 0 CHAEHN Cc1nccc(CNCC2CCC(C(C)(C)C)CC2)n1 ZINC000131333717 260402735 /nfs/dbraw/zinc/40/27/35/260402735.db2.gz SBGVCPPNSFNUIS-UHFFFAOYSA-N 0 3 275.440 3.727 10 0 CHAEHN CN(C)C[C@H](c1ccccc1Cl)C1(O)CCCCC1 ZINC000005958046 170162891 /nfs/dbraw/zinc/16/28/91/170162891.db2.gz OVSAXOVRTVDPOU-CQSZACIVSA-N 0 3 281.827 3.680 10 0 in-vitro CHAEHN COc1cc([C@@H](C)N[C@@H](C)c2cccs2)ccc1O ZINC000020148402 171036299 /nfs/dbraw/zinc/03/62/99/171036299.db2.gz NFHNDZLHZPBHDM-MNOVXSKESA-N 0 3 277.389 3.874 10 0 CHAEHN Cc1cccc([C@@H](CN)N(C)Cc2ccc(Cl)cc2)c1 ZINC000020225501 171088365 /nfs/dbraw/zinc/08/83/65/171088365.db2.gz VFRYCFKELJPSQR-QGZVFWFLSA-N 0 3 288.822 3.780 10 0 CHAEHN Cc1ccccc1CN(C)[C@H](CN)c1ccc(Cl)cc1 ZINC000020225999 171090224 /nfs/dbraw/zinc/09/02/24/171090224.db2.gz YBKAUVYSLFZHMY-QGZVFWFLSA-N 0 3 288.822 3.780 10 0 CHAEHN Fc1ccc(CCNCc2ccc3ccccc3n2)cc1 ZINC000020246217 171099251 /nfs/dbraw/zinc/09/92/51/171099251.db2.gz LTRNLOOPCDXQJF-UHFFFAOYSA-N 0 3 280.346 3.706 10 0 CHAEHN Cc1cc(CN[C@@H](C)c2cccs2)cc(C)c1O ZINC000020305501 171141829 /nfs/dbraw/zinc/14/18/29/171141829.db2.gz ZIRIQCVTVHZLDD-LBPRGKRZSA-N 0 3 261.390 3.921 10 0 CHAEHN N[C@H](Cc1ccccn1)c1cccc(Cl)c1Cl ZINC000020429032 171194196 /nfs/dbraw/zinc/19/41/96/171194196.db2.gz FGDZTFYHSKNBJP-GFCCVEGCSA-N 0 3 267.159 3.631 10 0 CHAEHN NCc1c(Cl)cccc1Oc1cccc(F)c1 ZINC000020470307 171212180 /nfs/dbraw/zinc/21/21/80/171212180.db2.gz WSHBWGULYUTQRH-UHFFFAOYSA-N 0 3 251.688 3.730 10 0 CHAEHN C[C@@H](N)c1c(F)cccc1O[C@H]1CCC[C@@H](C)C1 ZINC000020517089 171232633 /nfs/dbraw/zinc/23/26/33/171232633.db2.gz OBZFOIXHHPYZHD-UTUOFQBUSA-N 0 3 251.345 3.803 10 0 CHAEHN C[C@@H](N)c1cc(F)ccc1O[C@@H]1CCC[C@H](C)C1 ZINC000020517096 171232661 /nfs/dbraw/zinc/23/26/61/171232661.db2.gz KIMRWIOFYBVALO-DMDPSCGWSA-N 0 3 251.345 3.803 10 0 CHAEHN COc1ccc([C@@H](N)c2ccccc2C)cc1Cl ZINC000020521920 171235615 /nfs/dbraw/zinc/23/56/15/171235615.db2.gz KYBMSDZHJFAGGL-OAHLLOKOSA-N 0 3 261.752 3.705 10 0 CHAEHN CC(C)c1cccc(O[C@@H]2COc3ccccc3[C@@H]2N)c1 ZINC000020546443 171244091 /nfs/dbraw/zinc/24/40/91/171244091.db2.gz GQGOTYOCHLVRCI-MSOLQXFVSA-N 0 3 283.371 3.650 10 0 CHAEHN CC(C)[C@H](Oc1ccc(F)cc1)[C@H](N)c1ccccc1 ZINC000020547795 171244995 /nfs/dbraw/zinc/24/49/95/171244995.db2.gz WHKAURLHIPDHES-SJORKVTESA-N 0 3 273.351 3.929 10 0 CHAEHN CCCOc1ccc([C@@H](N)CO[C@@H](C)CC(C)C)cc1 ZINC000020549498 171246125 /nfs/dbraw/zinc/24/61/25/171246125.db2.gz SIYOBUSJMJHWGV-YOEHRIQHSA-N 0 3 279.424 3.926 10 0 CHAEHN Nc1cnccc1Nc1ccccc1SC(F)F ZINC000020585114 171258733 /nfs/dbraw/zinc/25/87/33/171258733.db2.gz QUEIRHKQVKIXMU-UHFFFAOYSA-N 0 3 267.304 3.722 10 0 CHAEHN COc1cc([C@H](N)c2ccc(C)c(C)c2)ccc1C ZINC000020587152 171259444 /nfs/dbraw/zinc/25/94/44/171259444.db2.gz WEDYRCPQAVLOQZ-QGZVFWFLSA-N 0 3 255.361 3.669 10 0 CHAEHN CCC[C@H](C)[C@H](N)c1cc(Br)ccc1OC ZINC000020586583 171259543 /nfs/dbraw/zinc/25/95/43/171259543.db2.gz YVJKADJSVWZNAR-ZANVPECISA-N 0 3 286.213 3.894 10 0 CHAEHN N[C@H]1c2ccccc2CCC[C@@H]1Oc1cccc(F)c1 ZINC000021008803 171285345 /nfs/dbraw/zinc/28/53/45/171285345.db2.gz BWTCVCSSOVLPCE-IRXDYDNUSA-N 0 3 271.335 3.609 10 0 CHAEHN CC[C@H](Oc1ccc(C)cc1)[C@H](N)c1ccccc1 ZINC000021013113 171288332 /nfs/dbraw/zinc/28/83/32/171288332.db2.gz YFXWRBCYRWMRCS-DLBZAZTESA-N 0 3 255.361 3.852 10 0 CHAEHN Cc1ccccc1[C@H](N)COc1c(C)cccc1C ZINC000021501604 171305936 /nfs/dbraw/zinc/30/59/36/171305936.db2.gz PCXKABWVNDFIPX-MRXNPFEDSA-N 0 3 255.361 3.691 10 0 CHAEHN N[C@H]1c2ccccc2C[C@@H]1Oc1ccc2ccccc2c1 ZINC000021504334 171307185 /nfs/dbraw/zinc/30/71/85/171307185.db2.gz MYOGJYIDFZJMAS-OALUTQOASA-N 0 3 275.351 3.843 10 0 CHAEHN N[C@H]1c2ccccc2CCC[C@H]1Oc1ccc(F)cc1 ZINC000021505967 171307489 /nfs/dbraw/zinc/30/74/89/171307489.db2.gz PQLABYGEJPXEFW-SJORKVTESA-N 0 3 271.335 3.609 10 0 CHAEHN CC[C@H]1CCCC[C@H]1OC[C@@H](N)c1ccc(C)cc1 ZINC000021508604 171309431 /nfs/dbraw/zinc/30/94/31/171309431.db2.gz REMOWKPXBYFBDZ-USXIJHARSA-N 0 3 261.409 3.980 10 0 CHAEHN CCc1ccc(OC[C@H](N)c2ccc(CC)cc2)cc1 ZINC000021517447 171313798 /nfs/dbraw/zinc/31/37/98/171313798.db2.gz HBEHWBUJFCDTKP-SFHVURJKSA-N 0 3 269.388 3.890 10 0 CHAEHN CCOc1ccc([C@@H](N)COc2ccc(CC)cc2)cc1 ZINC000021809344 171328683 /nfs/dbraw/zinc/32/86/83/171328683.db2.gz KBVTWYYRSMIJMB-SFHVURJKSA-N 0 3 285.387 3.727 10 0 CHAEHN C[C@H]1CCCCN1[C@@H](CN)c1cccc(C(F)(F)F)c1 ZINC000022219980 171377378 /nfs/dbraw/zinc/37/73/78/171377378.db2.gz VFGRLNOPWMGMHC-FZMZJTMJSA-N 0 3 286.341 3.580 10 0 CHAEHN COc1ccccc1OC[C@@H](N)c1c(C)cc(C)cc1C ZINC000022567161 171392752 /nfs/dbraw/zinc/39/27/52/171392752.db2.gz RCPJDBUWPYGCLL-OAHLLOKOSA-N 0 3 285.387 3.699 10 0 CHAEHN CN[C@H](C)c1ccccc1OCc1ccc(C)cc1 ZINC000034820714 171874227 /nfs/dbraw/zinc/87/42/27/171874227.db2.gz SGAOUCGJDCSNAU-CQSZACIVSA-N 0 3 255.361 3.854 10 0 CHAEHN CCNCc1ccc(-c2ccccc2Br)o1 ZINC000035161790 172021289 /nfs/dbraw/zinc/02/12/89/172021289.db2.gz XRTJLIQVFQJVSZ-UHFFFAOYSA-N 0 3 280.165 3.819 10 0 CHAEHN COc1ccc([C@@H](N)c2ccc(Br)s2)cc1 ZINC000035379626 172162352 /nfs/dbraw/zinc/16/23/52/172162352.db2.gz CSQNXQARSPZBLD-GFCCVEGCSA-N 0 3 298.205 3.567 10 0 CHAEHN N[C@H](c1cc2c(s1)CCC2)c1ccc2c(c1)CCC2 ZINC000035381292 172163174 /nfs/dbraw/zinc/16/31/74/172163174.db2.gz YNYFEHCQEBSUJW-KRWDZBQOSA-N 0 3 269.413 3.774 10 0 CHAEHN CCCNCc1cccc(OC)c1OCCC(C)C ZINC000035413739 172186813 /nfs/dbraw/zinc/18/68/13/172186813.db2.gz DYOJTIDDNVJNIS-UHFFFAOYSA-N 0 3 265.397 3.620 10 0 CHAEHN CCOc1ccccc1[C@@H](NC)c1ccc(C)s1 ZINC000035459255 172208285 /nfs/dbraw/zinc/20/82/85/172208285.db2.gz NXXQGBSLNYTNHE-OAHLLOKOSA-N 0 3 261.390 3.764 10 0 CHAEHN CCOc1ccccc1[C@H](NC)c1ccc(C)s1 ZINC000035459252 172208619 /nfs/dbraw/zinc/20/86/19/172208619.db2.gz NXXQGBSLNYTNHE-HNNXBMFYSA-N 0 3 261.390 3.764 10 0 CHAEHN CN[C@H](c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000035464334 172212304 /nfs/dbraw/zinc/21/23/04/172212304.db2.gz YXPUAVLORVNOHM-CQSZACIVSA-N 0 3 267.706 3.927 10 0 CHAEHN CN[C@H](c1sccc1C)c1ccc(CCOC)cc1 ZINC000035467408 172216277 /nfs/dbraw/zinc/21/62/77/172216277.db2.gz GLULHNJCKFRRHM-HNNXBMFYSA-N 0 3 275.417 3.554 10 0 CHAEHN CN[C@H](c1sccc1C)c1ccc(F)cc1F ZINC000035491529 172225318 /nfs/dbraw/zinc/22/53/18/172225318.db2.gz ABMOVUZJQKIUEO-LBPRGKRZSA-N 0 3 253.317 3.644 10 0 CHAEHN CN[C@H](Cc1ccccc1C)c1ccc(F)cc1F ZINC000035491811 172226441 /nfs/dbraw/zinc/22/64/41/172226441.db2.gz ZVGXJRSRHRVYIO-MRXNPFEDSA-N 0 3 261.315 3.776 10 0 CHAEHN CN[C@@H](c1cc(C)sc1C)c1cccc(OC)c1 ZINC000035497706 172231303 /nfs/dbraw/zinc/23/13/03/172231303.db2.gz CGDNEYAXCOTWSM-OAHLLOKOSA-N 0 3 261.390 3.682 10 0 CHAEHN CN[C@@H](c1sccc1C)c1cc(F)ccc1OC ZINC000035498969 172232123 /nfs/dbraw/zinc/23/21/23/172232123.db2.gz BISHPYLUSKUZSX-CYBMUJFWSA-N 0 3 265.353 3.513 10 0 CHAEHN CN[C@@H](c1ccc(Cl)s1)c1cccc(F)c1 ZINC000035498360 172232136 /nfs/dbraw/zinc/23/21/36/172232136.db2.gz QXFDYXCOTDNMFI-GFCCVEGCSA-N 0 3 255.745 3.849 10 0 CHAEHN CCC[C@H](C)[C@H](NC)c1cc2c(cc1Cl)OCCO2 ZINC000035501361 172235841 /nfs/dbraw/zinc/23/58/41/172235841.db2.gz FIUHTPYHUQXBPP-BONVTDFDSA-N 0 3 283.799 3.808 10 0 CHAEHN CN[C@H](c1cc(Cl)sc1Cl)[C@@H]1C[C@@H]1C ZINC000035502360 172237528 /nfs/dbraw/zinc/23/75/28/172237528.db2.gz HRMUATRHLOGDDK-MYINAIGISA-N 0 3 250.194 3.971 10 0 CHAEHN CCN[C@@H](c1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000035541044 172247903 /nfs/dbraw/zinc/24/79/03/172247903.db2.gz WOZRESBHVZARCN-INIZCTEOSA-N 0 3 261.315 3.972 10 0 CHAEHN CCN[C@@H](c1ccc(C)cc1)c1cc(F)cc(F)c1 ZINC000035541064 172248121 /nfs/dbraw/zinc/24/81/21/172248121.db2.gz PUUOLVSPJUCDOS-INIZCTEOSA-N 0 3 261.315 3.972 10 0 CHAEHN CCN[C@H](c1sccc1C)c1ccc2c(c1)CCO2 ZINC000035542155 172250215 /nfs/dbraw/zinc/25/02/15/172250215.db2.gz GLOQFCGMAQIVIT-HNNXBMFYSA-N 0 3 273.401 3.690 10 0 CHAEHN CCN[C@H](Cc1ccccc1)c1cc(F)ccc1F ZINC000035543846 172252251 /nfs/dbraw/zinc/25/22/51/172252251.db2.gz CBPHVUJAQHUILR-MRXNPFEDSA-N 0 3 261.315 3.858 10 0 CHAEHN CCN[C@@H](c1cccs1)c1ccccc1OCC ZINC000035545621 172253480 /nfs/dbraw/zinc/25/34/80/172253480.db2.gz CKELWNMSEKPWOO-OAHLLOKOSA-N 0 3 261.390 3.846 10 0 CHAEHN CCC[C@H](NCC)c1cc2c(cc1Cl)OCCO2 ZINC000035557730 172263197 /nfs/dbraw/zinc/26/31/97/172263197.db2.gz HCNFYYZLXRRMDZ-LBPRGKRZSA-N 0 3 269.772 3.562 10 0 CHAEHN CCN[C@@H](c1cc(OC)c(OC)cc1Cl)[C@@H]1C[C@@H]1C ZINC000035557636 172263507 /nfs/dbraw/zinc/26/35/07/172263507.db2.gz VBWQQJLQWJWSAL-FEUHOPSXSA-N 0 3 283.799 3.664 10 0 CHAEHN CCN[C@@H](Cc1ncc[nH]1)c1ccc(Cl)cc1Cl ZINC000035570066 172265374 /nfs/dbraw/zinc/26/53/74/172265374.db2.gz RACIAZXDWDSBLP-LBPRGKRZSA-N 0 3 284.190 3.610 10 0 CHAEHN CCN[C@@H](CC(F)(F)F)c1ccc(OC)c(C)c1 ZINC000035571686 172267567 /nfs/dbraw/zinc/26/75/67/172267567.db2.gz JNDRNVPPPNVSPN-NSHDSACASA-N 0 3 261.287 3.607 10 0 CHAEHN CCCN[C@H](c1ccncc1)c1ccc(C)c(C)c1 ZINC000035572803 172269307 /nfs/dbraw/zinc/26/93/07/172269307.db2.gz CAZRGIWQOIGPJJ-QGZVFWFLSA-N 0 3 254.377 3.787 10 0 CHAEHN CCCN[C@@H](c1ccc(Cl)s1)[C@@H]1CCCO1 ZINC000035583670 172281917 /nfs/dbraw/zinc/28/19/17/172281917.db2.gz GXIUZCOIDHSDDZ-JOYOIKCWSA-N 0 3 259.802 3.621 10 0 CHAEHN CCN[C@H](C)c1cc(C)ccc1OCC(F)(F)F ZINC000035629761 172311126 /nfs/dbraw/zinc/31/11/26/172311126.db2.gz DMIHVIBCJGIXTN-SNVBAGLBSA-N 0 3 261.287 3.607 10 0 CHAEHN CC(C)Oc1ccc2ccccc2c1CNC1CC1 ZINC000035630727 172312606 /nfs/dbraw/zinc/31/26/06/172312606.db2.gz SKQLMXRZMVZTNV-UHFFFAOYSA-N 0 3 255.361 3.879 10 0 CHAEHN Cc1cc(Br)c2c(c1)[C@H](NC1CC1)CCCO2 ZINC000035653781 172330738 /nfs/dbraw/zinc/33/07/38/172330738.db2.gz XLAHAKWIXZAOHN-CYBMUJFWSA-N 0 3 296.208 3.723 10 0 CHAEHN CCCNCc1cc(Cl)cc(Cl)c1OCCOC ZINC000035662095 172340418 /nfs/dbraw/zinc/34/04/18/172340418.db2.gz KBRGATOFOFUFOJ-UHFFFAOYSA-N 0 3 292.206 3.518 10 0 CHAEHN CN(Cc1cccs1)[C@@H](CN)c1ccc(Cl)s1 ZINC000035717100 172371017 /nfs/dbraw/zinc/37/10/17/172371017.db2.gz HFQPBNSYMITKAE-JTQLQIEISA-N 0 3 286.853 3.595 10 0 CHAEHN C[C@@H](N)c1cc(F)ccc1N(C)Cc1ccsc1 ZINC000035719366 172374391 /nfs/dbraw/zinc/37/43/91/172374391.db2.gz KYDCRGYTFHLROV-SNVBAGLBSA-N 0 3 264.369 3.543 10 0 CHAEHN COc1ccc(C[C@@H](C)N[C@@H](C)c2ccco2)cc1 ZINC000035738443 172391363 /nfs/dbraw/zinc/39/13/63/172391363.db2.gz FDUJVSVJSRYWRR-OLZOCXBDSA-N 0 3 259.349 3.570 10 0 CHAEHN CN[C@@H](Cc1ccsc1)c1nc2ccccc2s1 ZINC000037239462 173055970 /nfs/dbraw/zinc/05/59/70/173055970.db2.gz GDDBBUVXVAOBRU-LBPRGKRZSA-N 0 3 274.414 3.861 10 0 CHAEHN CC(C)=CCN1CCC(Nc2cccnc2Cl)CC1 ZINC000037283688 173091370 /nfs/dbraw/zinc/09/13/70/173091370.db2.gz ZEWNVKBQONNSJS-UHFFFAOYSA-N 0 3 279.815 3.578 10 0 CHAEHN CC(C)(C)c1nc2cc([C@@H](N)c3ccccc3)ccc2[nH]1 ZINC000037368453 173157170 /nfs/dbraw/zinc/15/71/70/173157170.db2.gz MLVBAQBUPAPISG-INIZCTEOSA-N 0 3 279.387 3.909 10 0 CHAEHN CC(C)(C)c1nc2ccc([C@@H](N)c3ccccc3)cc2[nH]1 ZINC000037368453 173157171 /nfs/dbraw/zinc/15/71/71/173157171.db2.gz MLVBAQBUPAPISG-INIZCTEOSA-N 0 3 279.387 3.909 10 0 CHAEHN CCCn1c2ccc(C)cc2nc1[C@@H](N)CCSC ZINC000037438323 173208920 /nfs/dbraw/zinc/20/89/20/173208920.db2.gz GBRAUHBVJDHAKC-LBPRGKRZSA-N 0 3 277.437 3.508 10 0 CHAEHN CCC[C@@H](N)c1nc2cc(Cl)ccc2n1C1CC1 ZINC000037440789 173210632 /nfs/dbraw/zinc/21/06/32/173210632.db2.gz FSWUZQYWMOTKFX-LLVKDONJSA-N 0 3 263.772 3.825 10 0 CHAEHN CCN[C@@H](c1cccc(C)c1)c1ccccc1OC ZINC000037533008 173253929 /nfs/dbraw/zinc/25/39/29/173253929.db2.gz RPERUCTYTCUKRI-KRWDZBQOSA-N 0 3 255.361 3.703 10 0 CHAEHN CCn1c2cccc(F)c2nc1[C@H](N)C1CCCCC1 ZINC000038036844 174036973 /nfs/dbraw/zinc/03/69/73/174036973.db2.gz NNBYVATUAFLAKM-CQSZACIVSA-N 0 3 275.371 3.775 10 0 CHAEHN CCCNCc1c(Cl)cccc1-n1cc(Cl)cn1 ZINC000038053870 174065397 /nfs/dbraw/zinc/06/53/97/174065397.db2.gz ZGSSLWGZAMNKMV-UHFFFAOYSA-N 0 3 284.190 3.679 10 0 CHAEHN N[C@@H](c1ccc(Cl)cc1)c1ccc2c(c1)CCCO2 ZINC000038057774 174068014 /nfs/dbraw/zinc/06/80/14/174068014.db2.gz GPWQDZCDUWMXLX-INIZCTEOSA-N 0 3 273.763 3.713 10 0 CHAEHN CNCc1ccc(-c2ccc(OC)c(C)c2)cc1F ZINC000038073662 174083820 /nfs/dbraw/zinc/08/38/20/174083820.db2.gz MEPBMFLNWKKRRH-UHFFFAOYSA-N 0 3 259.324 3.529 10 0 CHAEHN N[C@H]1CCCOc2c(Br)c3ccccc3cc21 ZINC000038077573 174088334 /nfs/dbraw/zinc/08/83/34/174088334.db2.gz XEHPHHPLKBMFES-LBPRGKRZSA-N 0 3 292.176 3.775 10 0 CHAEHN Cc1ccc([C@H](N)Cc2ccc(Br)cc2)o1 ZINC000038128459 174131665 /nfs/dbraw/zinc/13/16/65/174131665.db2.gz NNZBVRNZINAUAB-GFCCVEGCSA-N 0 3 280.165 3.593 10 0 CHAEHN CN[C@H](Cc1ccc(Br)cc1)c1ccc(C)o1 ZINC000038132407 174132678 /nfs/dbraw/zinc/13/26/78/174132678.db2.gz QXTYTBFUACQLHZ-CYBMUJFWSA-N 0 3 294.192 3.854 10 0 CHAEHN CCOCCCn1c2ccccc2nc1[C@@H](N)CC(C)C ZINC000040163874 174196810 /nfs/dbraw/zinc/19/68/10/174196810.db2.gz AXXOTCSIIXJKBR-AWEZNQCLSA-N 0 3 289.423 3.509 10 0 CHAEHN C[C@@H]1CCC[C@@H](OC[C@H](N)c2cc(F)ccc2F)C1 ZINC000040177347 174202554 /nfs/dbraw/zinc/20/25/54/174202554.db2.gz HIGAIENNXPVYSK-HCKVZZMMSA-N 0 3 269.335 3.560 10 0 CHAEHN NC[C@H](Oc1cccc(Cl)c1)c1cccc(F)c1 ZINC000042973584 174937398 /nfs/dbraw/zinc/93/73/98/174937398.db2.gz YZFPHADUOXRDTN-AWEZNQCLSA-N 0 3 265.715 3.558 10 0 CHAEHN CCN[C@@H](c1cccs1)c1cc(F)c(F)c(F)c1 ZINC000043392455 175034244 /nfs/dbraw/zinc/03/42/44/175034244.db2.gz JYTVKSQBQRCXCH-CYBMUJFWSA-N 0 3 271.307 3.864 10 0 CHAEHN Cc1cc(C)c([C@@H](O)CN(C)Cc2ccccc2)c(C)c1 ZINC000044123454 175143615 /nfs/dbraw/zinc/14/36/15/175143615.db2.gz STAHWWAVXSOOAV-SFHVURJKSA-N 0 3 283.415 3.777 10 0 CHAEHN C[C@@H]1CCC[C@H]1NC1=NC[C@H](c2ccccc2)S1 ZINC000071208731 176081202 /nfs/dbraw/zinc/08/12/02/176081202.db2.gz LNFXMHZRGLMFJT-MRVWCRGKSA-N 0 3 260.406 3.609 10 0 CHAEHN CCNCc1oc2ccc(Br)cc2c1C ZINC000071453112 176176863 /nfs/dbraw/zinc/17/68/63/176176863.db2.gz KFKMEHSXSRWHMD-UHFFFAOYSA-N 0 3 268.154 3.613 10 0 CHAEHN CNCc1ncc(-c2c(C)c(C)cc(C)c2C)s1 ZINC000071586937 176213921 /nfs/dbraw/zinc/21/39/21/176213921.db2.gz NSLNMSIFFZFUAO-UHFFFAOYSA-N 0 3 260.406 3.763 10 0 CHAEHN COc1ccc2c(c1)C1(CC1)CN[C@@H]2c1ccc(C)cc1 ZINC000071630430 176235991 /nfs/dbraw/zinc/23/59/91/176235991.db2.gz WFEMBNWCFDLLET-GOSISDBHSA-N 0 3 279.383 3.728 10 0 CHAEHN COc1ccc2c(c1)C1(CCCC1)CN[C@@H]2c1cccnc1 ZINC000071650237 176240344 /nfs/dbraw/zinc/24/03/44/176240344.db2.gz KRBNFVMZSLOYGR-GOSISDBHSA-N 0 3 294.398 3.595 10 0 CHAEHN COc1ccc2c(c1)C1(CCCC1)CN[C@H]2c1cccnc1 ZINC000071650238 176240651 /nfs/dbraw/zinc/24/06/51/176240651.db2.gz KRBNFVMZSLOYGR-SFHVURJKSA-N 0 3 294.398 3.595 10 0 CHAEHN CCN[C@H](C)c1csc(-c2ccc(OCC)cc2)n1 ZINC000076732294 177073585 /nfs/dbraw/zinc/07/35/85/177073585.db2.gz HXZLHDSSEBUXPU-LLVKDONJSA-N 0 3 276.405 3.879 10 0 CHAEHN CCN[C@H](C)c1csc(-c2cccc(OCC)c2)n1 ZINC000076784595 177091962 /nfs/dbraw/zinc/09/19/62/177091962.db2.gz VRMHDOIOCFDEHW-LLVKDONJSA-N 0 3 276.405 3.879 10 0 CHAEHN CCCN[C@@H](C)c1csc(-c2cccc(OC)c2)n1 ZINC000076784316 177091969 /nfs/dbraw/zinc/09/19/69/177091969.db2.gz TYALVFJGHHHAPX-NSHDSACASA-N 0 3 276.405 3.879 10 0 CHAEHN CCN[C@@H](C)c1csc(-c2cccc(F)c2)n1 ZINC000076784539 177092006 /nfs/dbraw/zinc/09/20/06/177092006.db2.gz MDNAHEVHMBQLBS-VIFPVBQESA-N 0 3 250.342 3.620 10 0 CHAEHN COc1ccc([C@H](N)c2c(C)oc(C)c2C)cc1C ZINC000077088676 177212030 /nfs/dbraw/zinc/21/20/30/177212030.db2.gz WZRAFHOACRBEPG-INIZCTEOSA-N 0 3 259.349 3.570 10 0 CHAEHN CC(C)OC[C@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000309331310 260153850 /nfs/dbraw/zinc/15/38/50/260153850.db2.gz HXGBHGQYTBLJBN-UWVGGRQHSA-N 0 3 261.818 3.866 10 0 CHAEHN C[C@H]1C[C@@H]1NCc1cc(Cl)ccc1Br ZINC000085220686 260372348 /nfs/dbraw/zinc/37/23/48/260372348.db2.gz BGWBTRBPYKYGGD-CPCISQLKSA-N 0 3 274.589 3.601 10 0 CHAEHN CC1(C)C[C@@H](N[C@H]2CCCSC2)c2ccccc2O1 ZINC000132461384 260499544 /nfs/dbraw/zinc/49/95/44/260499544.db2.gz VZJQYBJIRYRYOL-GXTWGEPZSA-N 0 3 277.433 3.774 10 0 CHAEHN Cc1ccccc1[C@H](NCCn1ccnc1)c1ccccc1 ZINC000176539625 261295124 /nfs/dbraw/zinc/29/51/24/261295124.db2.gz IUWIHZMKTREOOD-LJQANCHMSA-N 0 3 291.398 3.571 10 0 CHAEHN c1cnn(-c2ccc(CN3CCC[C@@H]3c3ccco3)cc2)c1 ZINC000116289749 267136586 /nfs/dbraw/zinc/13/65/86/267136586.db2.gz CQQGRBAXFAUZQO-QGZVFWFLSA-N 0 3 293.370 3.802 10 0 CHAEHN C[C@@H](NC[C@@H]1[C@H]2COC[C@H]21)c1cc(Cl)ccc1Cl ZINC000375608072 327710871 /nfs/dbraw/zinc/71/08/71/327710871.db2.gz WPKPXBMVHMPUQO-STRQVWJDSA-N 0 3 286.202 3.536 10 0 CHAEHN COc1ccc([C@H](N[C@@H]2C[C@@H]2C)c2ccccc2)cc1 ZINC000216423299 327990213 /nfs/dbraw/zinc/99/02/13/327990213.db2.gz NJRUKFLQLJEMRZ-MORSLUCNSA-N 0 3 267.372 3.783 10 0 CHAEHN c1cc2c(o1)CCC[C@@H]2NCc1ccnc2ccccc12 ZINC000111763486 328377278 /nfs/dbraw/zinc/37/72/78/328377278.db2.gz GHRIYECJRNAVPC-KRWDZBQOSA-N 0 3 278.355 3.995 10 0 CHAEHN O[C@@H]1CCCC[C@@H]1CNCc1cc(Cl)sc1Cl ZINC000312594938 326924540 /nfs/dbraw/zinc/92/45/40/326924540.db2.gz CZRDUGKRTFYMKF-PSASIEDQSA-N 0 3 294.247 3.696 10 0 CHAEHN C[C@@H]1C[C@@H]1N[C@@H]1CCc2c1c(Br)ccc2F ZINC000126896225 327568499 /nfs/dbraw/zinc/56/84/99/327568499.db2.gz UWAGRUXSUKPGNX-HFKOZYHYSA-N 0 3 284.172 3.574 10 0 CHAEHN C[C@H](N[C@@H]1C[C@H]1C)c1ccccc1Br ZINC000052271012 328642086 /nfs/dbraw/zinc/64/20/86/328642086.db2.gz GCPKALYVMJIRID-VDDIYKPWSA-N 0 3 254.171 3.508 10 0 CHAEHN Cc1cccc2c(NC[C@@H]3CCC[C@H](O)C3)ccnc12 ZINC000301684998 328829666 /nfs/dbraw/zinc/82/96/66/328829666.db2.gz UDIYPDMHUVMOEG-KGLIPLIRSA-N 0 3 270.376 3.506 10 0 CHAEHN Cc1cc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)ccn1 ZINC000391177284 328977761 /nfs/dbraw/zinc/97/77/61/328977761.db2.gz GYQTUSVXGKXRCF-QWHCGFSZSA-N 0 3 272.314 3.601 10 0 CHAEHN C[C@@H](CN1CCCN(C2CC2)CC1)c1cccc(Cl)c1 ZINC000187085657 329353854 /nfs/dbraw/zinc/35/38/54/329353854.db2.gz QJQJUPRSPSWKND-AWEZNQCLSA-N 0 3 292.854 3.614 10 0 CHAEHN CC(C)=CCC[C@H](C)CCN[C@@H]1CCCn2nc(C)nc21 ZINC000193301424 329439670 /nfs/dbraw/zinc/43/96/70/329439670.db2.gz VDCGJOMNNGORRV-GOEBONIOSA-N 0 3 290.455 3.784 10 0 CHAEHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(F)c1F ZINC000248735402 329898126 /nfs/dbraw/zinc/89/81/26/329898126.db2.gz PONYPPKCIKAPLE-XOPPTJLZSA-N 0 3 293.357 3.573 10 0 CHAEHN C[C@H](N[C@H]1CCO[C@@H](C2CC2)C1)c1ccc(F)cc1F ZINC000248734910 329898223 /nfs/dbraw/zinc/89/82/23/329898223.db2.gz DNHNPMGKSGZKRT-YNZJMPHRSA-N 0 3 281.346 3.573 10 0 CHAEHN C[C@@H](NC[C@H]1CCCCN1Cc1ccccc1)c1ccoc1 ZINC000379615835 330141953 /nfs/dbraw/zinc/14/19/53/330141953.db2.gz BGCGPCNCNJUMBA-VQIMIIECSA-N 0 3 298.430 3.985 10 0 CHAEHN CCn1cccc1CNCc1ccc(Br)s1 ZINC000085609004 330366259 /nfs/dbraw/zinc/36/62/59/330366259.db2.gz VRLBYJJCPBJXEF-UHFFFAOYSA-N 0 3 299.237 3.622 10 0 CHAEHN CCn1c2ccccc2nc1[C@@H](C)N[C@@H](C)C1CCC1 ZINC000090037120 330390066 /nfs/dbraw/zinc/39/00/66/330390066.db2.gz DFFWCCJZJUUEOG-QWHCGFSZSA-N 0 3 271.408 3.895 10 0 CHAEHN CCn1cccc1CNCc1ccc(F)c(Cl)c1 ZINC000091127685 330398829 /nfs/dbraw/zinc/39/88/29/330398829.db2.gz GPPAFHALALZZQS-UHFFFAOYSA-N 0 3 266.747 3.590 10 0 CHAEHN Cc1csc(C2CCN(Cc3cccc(O)c3)CC2)n1 ZINC000092787480 330413575 /nfs/dbraw/zinc/41/35/75/330413575.db2.gz OCHLCYBCRXOBDR-UHFFFAOYSA-N 0 3 288.416 3.537 10 0 CHAEHN COc1ccc(Br)c(CN[C@@H](C)C(C)C)c1 ZINC000083702914 330482246 /nfs/dbraw/zinc/48/22/46/330482246.db2.gz SJBUOUXNJNELDT-JTQLQIEISA-N 0 3 286.213 3.592 10 0 CHAEHN C[C@@H]1C[C@@H]1NCc1ccc(Cl)cc1Br ZINC000149770059 330577875 /nfs/dbraw/zinc/57/78/75/330577875.db2.gz PWHSRTBVZSDXFN-HQJQHLMTSA-N 0 3 274.589 3.601 10 0 CHAEHN C[C@H](N[C@@H]1CCCC[C@@H]1O)c1cccc(Cl)c1Cl ZINC000165235132 331306035 /nfs/dbraw/zinc/30/60/35/331306035.db2.gz DYVRCBXLOSCYCW-BIMULSAOSA-N 0 3 288.218 3.948 10 0 CHAEHN CC[C@@H](O)CCN[C@@H](c1ccccc1)c1ccccc1C ZINC000166130716 331306625 /nfs/dbraw/zinc/30/66/25/331306625.db2.gz JPCCSPIFYSUVLV-MJGOQNOKSA-N 0 3 283.415 3.835 10 0 CHAEHN COc1ccc([C@@H](C)N[C@H](C)COCc2ccccc2)cc1 ZINC000178066035 333067446 /nfs/dbraw/zinc/06/74/46/333067446.db2.gz SEIFOEIVUDXLCY-HZPDHXFCSA-N 0 3 299.414 3.951 10 0 CHAEHN C[C@@H](NC[C@@H]1CCCN1C)c1cccc(Cl)c1Cl ZINC000222693392 333198716 /nfs/dbraw/zinc/19/87/16/333198716.db2.gz JAMFZWRALFQZTC-MNOVXSKESA-N 0 3 287.234 3.738 10 0 CHAEHN CC(C)CC[C@H]1CCC[C@@H]1NCc1nnc(C(C)C)n1C ZINC000191878291 333226679 /nfs/dbraw/zinc/22/66/79/333226679.db2.gz BATVMKIJBNNTQH-CABCVRRESA-N 0 3 292.471 3.633 10 0 CHAEHN CCCC[C@H](N)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037619736 333535288 /nfs/dbraw/zinc/53/52/88/333535288.db2.gz UDXJYPNQBMVGEE-BBRMVZONSA-N 0 3 290.451 3.679 10 0 CHAEHN C[C@H](CCc1ccccc1)N[C@H]1COc2ccccc21 ZINC000070196858 333801041 /nfs/dbraw/zinc/80/10/41/333801041.db2.gz NADOXNPQTXKPIO-PBHICJAKSA-N 0 3 267.372 3.731 10 0 CHAEHN C[C@@H](N[C@H](C)C12CC3CC(CC(C3)C1)C2)c1cnccn1 ZINC000070477154 333813031 /nfs/dbraw/zinc/81/30/31/333813031.db2.gz QLMODFYCIMBSQP-DAZFMJRUSA-N 0 3 285.435 3.732 10 0 CHAEHN Cc1ccc(C2CC(N[C@H]3COc4ccccc43)C2)cc1 ZINC000070529422 333814954 /nfs/dbraw/zinc/81/49/54/333814954.db2.gz RWOMPDIIXNJYLX-HTWSVDAQSA-N 0 3 279.383 3.964 10 0 CHAEHN CCN1CCC[C@@H](N[C@H]2C[C@H](C)Sc3sccc32)C1 ZINC000247204917 334277372 /nfs/dbraw/zinc/27/73/72/334277372.db2.gz WNVKEDJXAZCVBA-SCRDCRAPSA-N 0 3 296.505 3.747 10 0 CHAEHN Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@@H]1C[C@H]1C ZINC000249910456 334341945 /nfs/dbraw/zinc/34/19/45/334341945.db2.gz VZYIWYKUZYFDHK-WCABBAIRSA-N 0 3 252.427 3.808 10 0 CHAEHN Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@@H]1CCO[C@H]1C ZINC000251227411 334358439 /nfs/dbraw/zinc/35/84/39/334358439.db2.gz XCDATBYOSRRTLY-ZMLRMANQSA-N 0 3 282.453 3.577 10 0 CHAEHN C[C@@H]1C[C@H]1N[C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000252725550 334386759 /nfs/dbraw/zinc/38/67/59/334386759.db2.gz OTIGJOLUMCHQAR-VSYUYLJXSA-N 0 3 256.176 3.979 10 0 CHAEHN C/C(=C\c1ccccc1)CN1CCC(Cn2cccn2)CC1 ZINC000179531887 335499542 /nfs/dbraw/zinc/49/95/42/335499542.db2.gz CJLFVUTWFSSUAU-SAPNQHFASA-N 0 3 295.430 3.699 10 0 CHAEHN CC(C)NCc1cccc(O[C@@H]2CCCC[C@H]2C)n1 ZINC000051524757 519727895 /nfs/dbraw/zinc/72/78/95/519727895.db2.gz VERPUKDLQTWTJF-UKRRQHHQSA-N 0 3 262.397 3.537 10 0 CHAEHN CN[C@H](Cc1nc(C)cs1)c1ccccc1Cl ZINC000055268275 522475496 /nfs/dbraw/zinc/47/54/96/522475496.db2.gz TYJDJVCVCPPWQX-GFCCVEGCSA-N 0 3 266.797 3.608 10 0 CHAEHN CC(C)(CO)CN(Cc1ccccc1)Cc1ccccc1 ZINC000051292668 519278781 /nfs/dbraw/zinc/27/87/81/519278781.db2.gz XFBBUVLTOLKTAH-UHFFFAOYSA-N 0 3 283.415 3.707 10 0 CHAEHN CC(C)Oc1cccc([C@H](N)c2ccc(F)cc2)c1 ZINC000061666122 519783614 /nfs/dbraw/zinc/78/36/14/519783614.db2.gz MNPLOYLUAJZBME-MRXNPFEDSA-N 0 3 259.324 3.661 10 0 CHAEHN CCCN[C@@H](C)c1ccc(F)cc1OCC(C)C ZINC000062747422 519989151 /nfs/dbraw/zinc/98/91/51/519989151.db2.gz CCFHJKAUUPPLDP-LBPRGKRZSA-N 0 3 253.361 3.921 10 0 CHAEHN CCCN[C@H](c1cc(F)ccc1F)[C@H]1CCCCO1 ZINC000050962493 520088425 /nfs/dbraw/zinc/08/84/25/520088425.db2.gz LTRFYHUYCARXDZ-HUUCEWRRSA-N 0 3 269.335 3.575 10 0 CHAEHN CCOc1cccc([C@@H](N)c2ccc(C)cc2C)c1 ZINC000055235853 521413392 /nfs/dbraw/zinc/41/33/92/521413392.db2.gz NHMHZIQIGDYDCK-QGZVFWFLSA-N 0 3 255.361 3.750 10 0 CHAEHN CCOc1ccccc1[C@](C)(N)c1cccc(Cl)c1 ZINC000055239982 521591744 /nfs/dbraw/zinc/59/17/44/521591744.db2.gz QOWWVWAOQROBFO-MRXNPFEDSA-N 0 3 275.779 3.961 10 0 CHAEHN CNCc1cc(Cl)ccc1OCCC(C)(C)C ZINC000049253969 522111676 /nfs/dbraw/zinc/11/16/76/522111676.db2.gz BJJMWEQZCVBIFH-UHFFFAOYSA-N 0 3 255.789 3.874 10 0 CHAEHN CNCc1cccnc1Oc1ccc(C(C)C)cc1 ZINC000051546205 522140179 /nfs/dbraw/zinc/14/01/79/522140179.db2.gz APCMDYNPXDRQNZ-UHFFFAOYSA-N 0 3 256.349 3.717 10 0 CHAEHN CNCc1sc(N2CCCC[C@@H]2C)nc1C(C)(C)C ZINC000054995302 522168037 /nfs/dbraw/zinc/16/80/37/522168037.db2.gz DYXAOECGWSJKGL-NSHDSACASA-N 0 3 281.469 3.539 10 0 CHAEHN CNc1ccc(Cl)c(CN(CC(C)C)C(C)C)n1 ZINC000061638841 522622006 /nfs/dbraw/zinc/62/20/06/522622006.db2.gz YKOJIJPFPYJTSH-UHFFFAOYSA-N 0 3 269.820 3.643 10 0 CHAEHN CC[C@H](C)COc1cc(OC)ccc1CNC(C)C ZINC000050424009 523889035 /nfs/dbraw/zinc/88/90/35/523889035.db2.gz OZQNSAZRUXKAHZ-ZDUSSCGKSA-N 0 3 265.397 3.618 10 0 CHAEHN Cc1ccc(F)cc1[C@@H](N)c1ccc(Cl)cc1F ZINC000062785961 524874609 /nfs/dbraw/zinc/87/46/09/524874609.db2.gz DFTPCKSJXZRKCY-AWEZNQCLSA-N 0 3 267.706 3.975 10 0 CHAEHN COc1ccc([C@@H](C)NCc2ccsc2C)cc1OC ZINC000293480636 525155893 /nfs/dbraw/zinc/15/58/93/525155893.db2.gz FUJCALRUSWQTQP-LLVKDONJSA-N 0 3 291.416 3.925 10 0 CHAEHN Cc1ccccc1COc1cc(F)ccc1[C@@H](C)N ZINC000062745890 525173502 /nfs/dbraw/zinc/17/35/02/525173502.db2.gz WYFXAZPFXIEMPB-GFCCVEGCSA-N 0 3 259.324 3.733 10 0 CHAEHN COc1ccc([C@H](C)N[C@H]2CCOc3ccccc32)cc1 ZINC000037074360 525335570 /nfs/dbraw/zinc/33/55/70/525335570.db2.gz VORINTKLCATZIC-GUYCJALGSA-N 0 3 283.371 3.870 10 0 CHAEHN Cc1cc(OCc2cc(CN)co2)cc(C)c1Cl ZINC000052700102 525373793 /nfs/dbraw/zinc/37/37/93/525373793.db2.gz PJQJMEGSGLUYHS-UHFFFAOYSA-N 0 3 265.740 3.588 10 0 CHAEHN Cc1csc([C@@H](CCc2ccccc2)NC2CC2)n1 ZINC000061625775 526414578 /nfs/dbraw/zinc/41/45/78/526414578.db2.gz ZFIBAYILLALUFI-OAHLLOKOSA-N 0 3 272.417 3.877 10 0 CHAEHN Cc1n[nH]cc1CN[C@H]1c2ccccc2CCC1(C)C ZINC000126156286 526556057 /nfs/dbraw/zinc/55/60/57/526556057.db2.gz QEJSRUHQBSUGLG-INIZCTEOSA-N 0 3 269.392 3.521 10 0 CHAEHN N=C(N)c1c(F)cccc1Oc1ccccc1Cl ZINC000062566139 526819049 /nfs/dbraw/zinc/81/90/49/526819049.db2.gz HPWIGERAQPWTME-UHFFFAOYSA-N 0 3 264.687 3.555 10 0 CHAEHN Cc1nc(Cc2ccc(C)c(C)c2)sc1[C@@H](C)N ZINC000061681760 526926092 /nfs/dbraw/zinc/92/60/92/526926092.db2.gz PQKMORWOGCJUFM-LLVKDONJSA-N 0 3 260.406 3.679 10 0 CHAEHN NCc1cc(Cl)ccc1N1CCC[C@H]2CCCC[C@@H]21 ZINC000052856941 527248748 /nfs/dbraw/zinc/24/87/48/527248748.db2.gz REDCKPPGBKFYCL-DOMZBBRYSA-N 0 3 278.827 3.958 10 0 CHAEHN N[C@H](c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000061703524 527392349 /nfs/dbraw/zinc/39/23/49/527392349.db2.gz GGUSUPPKEBBKNN-CYBMUJFWSA-N 0 3 267.250 3.633 10 0 CHAEHN N[C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000050329882 567893919 /nfs/dbraw/zinc/89/39/19/567893919.db2.gz OHEZFCJRANVAOW-SNVBAGLBSA-N 0 3 264.781 3.800 10 0 CHAEHN N[C@H](CC1CC1)c1cc2c(cccc2Br)o1 ZINC000675081239 567027691 /nfs/dbraw/zinc/02/76/91/567027691.db2.gz NRUHDXJZGWTILP-LLVKDONJSA-N 0 3 280.165 3.995 10 0 CHAEHN CCC[C@H](N)c1cc2cc(Br)ccc2o1 ZINC000083821553 567026750 /nfs/dbraw/zinc/02/67/50/567026750.db2.gz YVXKNKVFMFXMMX-JTQLQIEISA-N 0 3 268.154 3.995 10 0 CHAEHN Clc1ccc(CNCCOc2ccccn2)cc1Cl ZINC000057353337 567894968 /nfs/dbraw/zinc/89/49/68/567894968.db2.gz JNFKLEPTNZMRCV-UHFFFAOYSA-N 0 3 297.185 3.557 10 0 CHAEHN CCN(CC(C)C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000101726372 1119712998 /nfs/dbraw/zinc/71/29/98/1119712998.db2.gz JTHOAFLAKBGPFC-ZDUSSCGKSA-N 0 3 273.380 3.776 10 0 CHAEHN CCCc1nc(Cc2cccc(Cl)c2)sc1CN ZINC000082427196 178002796 /nfs/dbraw/zinc/00/27/96/178002796.db2.gz BDXDQQPXBUQBFX-UHFFFAOYSA-N 0 3 280.824 3.799 10 0 CHAEHN CCNCc1sc(COc2ccccc2)nc1C(C)C ZINC000082429868 178007343 /nfs/dbraw/zinc/00/73/43/178007343.db2.gz OZDQSNPWLCONJM-UHFFFAOYSA-N 0 3 290.432 3.955 10 0 CHAEHN c1ccc(-c2nc(C3CC3)c(CNC3CC3)s2)cc1 ZINC000082435276 178012647 /nfs/dbraw/zinc/01/26/47/178012647.db2.gz DGQPYEIWFMAYCM-UHFFFAOYSA-N 0 3 270.401 3.940 10 0 CHAEHN NCc1sc(-c2ccccc2Cl)nc1C1CC1 ZINC000082435507 178013067 /nfs/dbraw/zinc/01/30/67/178013067.db2.gz ICDYLMLOIZDWBY-UHFFFAOYSA-N 0 3 264.781 3.800 10 0 CHAEHN CCc1ccc(-c2nc(C3CC3)c(CN)s2)cc1 ZINC000082436799 178014482 /nfs/dbraw/zinc/01/44/82/178014482.db2.gz WNPMRHSUCVUKKV-UHFFFAOYSA-N 0 3 258.390 3.709 10 0 CHAEHN CCOc1ccccc1-c1nc(C2CC2)c(CN)s1 ZINC000082436652 178014539 /nfs/dbraw/zinc/01/45/39/178014539.db2.gz SFOGFBCRYDRGGA-UHFFFAOYSA-N 0 3 274.389 3.545 10 0 CHAEHN CC(C)(C)c1nc([C@H]2CCCO2)sc1CNC1CC1 ZINC000082440122 178018322 /nfs/dbraw/zinc/01/83/22/178018322.db2.gz UPAMEIIHIXAKIR-LLVKDONJSA-N 0 3 280.437 3.544 10 0 CHAEHN CCOc1cccc(-c2nc(C(C)(C)C)c(CN)s2)c1 ZINC000082440490 178018466 /nfs/dbraw/zinc/01/84/66/178018466.db2.gz LXAPXXQXYPWVQD-UHFFFAOYSA-N 0 3 290.432 3.965 10 0 CHAEHN CCNCc1cnn(-c2cc(C)ccc2C)c1C(F)(F)F ZINC000082661805 178149359 /nfs/dbraw/zinc/14/93/59/178149359.db2.gz PMSUIAOFPXEGOC-UHFFFAOYSA-N 0 3 297.324 3.617 10 0 CHAEHN CC(C)C[C@H](N)c1cc(Br)ccc1F ZINC000083256137 178371448 /nfs/dbraw/zinc/37/14/48/178371448.db2.gz PWYKGTUPOGADDA-NSHDSACASA-N 0 3 260.150 3.634 10 0 CHAEHN NCc1cncc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000091351615 180137437 /nfs/dbraw/zinc/13/74/37/180137437.db2.gz OZPLZVQCVPUUKZ-UHFFFAOYSA-N 0 3 253.132 3.514 10 0 CHAEHN Cc1cccc(O[C@H]2CCCc3ccccc3[C@@H]2N)c1 ZINC000020549054 184535780 /nfs/dbraw/zinc/53/57/80/184535780.db2.gz YESUYZHTAQGKJY-ROUUACIJSA-N 0 3 267.372 3.779 10 0 CHAEHN Cc1cnn([C@H]2CCCN(Cc3cc(C)sc3C)C2)c1 ZINC000171529215 335068969 /nfs/dbraw/zinc/06/89/69/335068969.db2.gz RSPBFPPKZXJIAM-INIZCTEOSA-N 0 3 289.448 3.707 10 0 CHAEHN C[C@@H](NCc1c[nH]nc1-c1ccccc1)c1ccccc1 ZINC000006160664 170179624 /nfs/dbraw/zinc/17/96/24/170179624.db2.gz KNXPHTZAXFZSJI-CQSZACIVSA-N 0 3 277.371 3.928 10 0 CHAEHN FC(F)(F)c1ccccc1[C@H]1NCCc2ccccc21 ZINC000019726648 170845515 /nfs/dbraw/zinc/84/55/15/170845515.db2.gz XNOJWVBWUWWQKQ-HNNXBMFYSA-N 0 3 277.289 3.941 10 0 CHAEHN COc1cc(CN[C@@H](C)c2ccccc2C)ccc1O ZINC000020126084 171009569 /nfs/dbraw/zinc/00/95/69/171009569.db2.gz RKSQIMJYBZLYFP-ZDUSSCGKSA-N 0 3 271.360 3.560 10 0 CHAEHN C[C@H](N[C@@H](CN(C)C)c1ccccc1)c1cccs1 ZINC000020129349 171017166 /nfs/dbraw/zinc/01/71/66/171017166.db2.gz CTMBNTJVHVHCCU-ZFWWWQNUSA-N 0 3 274.433 3.702 10 0 CHAEHN C[C@@H](N[C@@H](CN(C)C)c1ccccc1)c1ccc(F)cc1 ZINC000020129358 171017380 /nfs/dbraw/zinc/01/73/80/171017380.db2.gz PLJNDDORYZAITQ-KDOFPFPSSA-N 0 3 286.394 3.779 10 0 CHAEHN C[C@H](N[C@@H](C)c1cccc(F)c1)c1ccc(O)cc1 ZINC000020147837 171035070 /nfs/dbraw/zinc/03/50/70/171035070.db2.gz VQCPAWMPWJCXCZ-RYUDHWBXSA-N 0 3 259.324 3.943 10 0 CHAEHN CC(C)CN(C)[C@H](CN)c1c(Cl)cccc1Cl ZINC000020226715 171092354 /nfs/dbraw/zinc/09/23/54/171092354.db2.gz KEKHOKKQSOSCPB-GFCCVEGCSA-N 0 3 275.223 3.581 10 0 CHAEHN N[C@@H](Cc1nc2ccccc2o1)c1cccc(Cl)c1 ZINC000020428051 171193621 /nfs/dbraw/zinc/19/36/21/171193621.db2.gz CZFUOTFRSRKANO-LBPRGKRZSA-N 0 3 272.735 3.724 10 0 CHAEHN CC(C)Oc1ccc([C@@H](N)c2ccc(F)cc2)cc1 ZINC000020434835 171200455 /nfs/dbraw/zinc/20/04/55/171200455.db2.gz ZSOVTNJMQONBSR-INIZCTEOSA-N 0 3 259.324 3.661 10 0 CHAEHN Cc1ccc([C@@H](N)c2ccc(OC(C)C)cc2)cc1 ZINC000020434864 171200877 /nfs/dbraw/zinc/20/08/77/171200877.db2.gz GCFZMXYUSAHGHQ-QGZVFWFLSA-N 0 3 255.361 3.830 10 0 CHAEHN Cc1ccc([C@H](N)CO[C@@H]2CCC[C@@H](C)C2)cc1C ZINC000020513096 171231632 /nfs/dbraw/zinc/23/16/32/171231632.db2.gz VNSWZMKSUBNPOP-CSMYWGQOSA-N 0 3 261.409 3.899 10 0 CHAEHN COc1ccc([C@H](N)c2ccc(C)c(F)c2)cc1Cl ZINC000020521861 171234907 /nfs/dbraw/zinc/23/49/07/171234907.db2.gz JHPZGXAYBYEWLA-HNNXBMFYSA-N 0 3 279.742 3.844 10 0 CHAEHN COc1ccc([C@H](N)c2ccccc2C)cc1Cl ZINC000020521921 171235695 /nfs/dbraw/zinc/23/56/95/171235695.db2.gz KYBMSDZHJFAGGL-HNNXBMFYSA-N 0 3 261.752 3.705 10 0 CHAEHN COc1cccc(O[C@@H](C(C)C)[C@@H](N)c2ccccc2)c1 ZINC000020548810 171245971 /nfs/dbraw/zinc/24/59/71/171245971.db2.gz AEXXLGOGRSCMQS-ROUUACIJSA-N 0 3 285.387 3.799 10 0 CHAEHN COc1cccc(O[C@H](C(C)C)[C@H](N)c2ccccc2)c1 ZINC000020548813 171245987 /nfs/dbraw/zinc/24/59/87/171245987.db2.gz AEXXLGOGRSCMQS-QZTJIDSGSA-N 0 3 285.387 3.799 10 0 CHAEHN CCCOc1ccc([C@H](N)CO[C@H](C)CC(C)C)cc1 ZINC000020549501 171246097 /nfs/dbraw/zinc/24/60/97/171246097.db2.gz SIYOBUSJMJHWGV-RHSMWYFYSA-N 0 3 279.424 3.926 10 0 CHAEHN Nc1cnccc1Nc1cc(Cl)ccc1Cl ZINC000020584632 171258283 /nfs/dbraw/zinc/25/82/83/171258283.db2.gz DLVJLUSGLUQCMN-UHFFFAOYSA-N 0 3 254.120 3.714 10 0 CHAEHN Nc1cnccc1Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000020585159 171258619 /nfs/dbraw/zinc/25/86/19/171258619.db2.gz ZCDWDDQYIKSCFD-UHFFFAOYSA-N 0 3 273.339 3.979 10 0 CHAEHN CCOc1ccccc1[C@@H](N)c1ccc(C)c(C)c1 ZINC000020587301 171259329 /nfs/dbraw/zinc/25/93/29/171259329.db2.gz JLHBGHKVXSRCOQ-KRWDZBQOSA-N 0 3 255.361 3.750 10 0 CHAEHN Cc1cc(F)ccc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000020595916 171264678 /nfs/dbraw/zinc/26/46/78/171264678.db2.gz JGADQEDISXQSOL-KRWDZBQOSA-N 0 3 284.378 3.821 10 0 CHAEHN CCCOc1ccc2ccccc2c1CNC[C@@H]1CCCO1 ZINC000020930566 171280837 /nfs/dbraw/zinc/28/08/37/171280837.db2.gz PQMKUXXVCYTGBE-INIZCTEOSA-N 0 3 299.414 3.897 10 0 CHAEHN CC[C@H]1CCCC[C@H]1OC[C@@H](N)c1cc(C)ccc1OC ZINC000021030147 171291583 /nfs/dbraw/zinc/29/15/83/171291583.db2.gz GORSDKLCBNDMHW-USXIJHARSA-N 0 3 291.435 3.989 10 0 CHAEHN Cc1ccccc1[C@@H](N)COc1c(C)cccc1C ZINC000021501605 171305678 /nfs/dbraw/zinc/30/56/78/171305678.db2.gz PCXKABWVNDFIPX-INIZCTEOSA-N 0 3 255.361 3.691 10 0 CHAEHN N[C@@H]1c2ccccc2CCC[C@@H]1Oc1ccc(F)cc1 ZINC000021505965 171307424 /nfs/dbraw/zinc/30/74/24/171307424.db2.gz PQLABYGEJPXEFW-DLBZAZTESA-N 0 3 271.335 3.609 10 0 CHAEHN CC(C)[C@H](Oc1ccccc1F)[C@H](N)c1ccccc1 ZINC000021814137 171331295 /nfs/dbraw/zinc/33/12/95/171331295.db2.gz BXYMXBDTTRMTDG-SJORKVTESA-N 0 3 273.351 3.929 10 0 CHAEHN CC(C)c1cccc(O[C@H]2Cc3ccccc3[C@@H]2N)c1 ZINC000022151010 171358456 /nfs/dbraw/zinc/35/84/56/171358456.db2.gz JWEIKAWHBVPCMV-ROUUACIJSA-N 0 3 267.372 3.814 10 0 CHAEHN CC(C)c1cccc(O[C@H]2Cc3ccccc3[C@H]2N)c1 ZINC000022151017 171358512 /nfs/dbraw/zinc/35/85/12/171358512.db2.gz JWEIKAWHBVPCMV-ZWKOTPCHSA-N 0 3 267.372 3.814 10 0 CHAEHN N[C@@H]1c2ccccc2CCC[C@H]1n1cnc2ccccc21 ZINC000022566332 171392697 /nfs/dbraw/zinc/39/26/97/171392697.db2.gz PQJNXJRFBMYEMX-QZTJIDSGSA-N 0 3 277.371 3.614 10 0 CHAEHN CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccccc32)CC1 ZINC000022778646 171398717 /nfs/dbraw/zinc/39/87/17/171398717.db2.gz PBNIVFQAAKTXAH-VQTJNVASSA-N 0 3 292.426 3.511 10 0 CHAEHN CCc1ccc([C@H]2CNC[C@H](c3ccccc3)O2)cc1 ZINC000035285532 172103374 /nfs/dbraw/zinc/10/33/74/172103374.db2.gz DOJAXGUFIDYWLG-QZTJIDSGSA-N 0 3 267.372 3.651 10 0 CHAEHN COc1ccc([C@@H](N)c2ccsc2)cc1Br ZINC000035381637 172164149 /nfs/dbraw/zinc/16/41/49/172164149.db2.gz ALRKMDCGUZXLHI-GFCCVEGCSA-N 0 3 298.205 3.567 10 0 CHAEHN Cc1ccsc1[C@@H](N)c1cc2c(cc1Cl)OCCO2 ZINC000035382001 172164672 /nfs/dbraw/zinc/16/46/72/172164672.db2.gz ODHLVXCDVCMDEF-ZDUSSCGKSA-N 0 3 295.791 3.529 10 0 CHAEHN CN[C@@H](c1ccc(C)s1)c1cc(F)cc(F)c1 ZINC000035459065 172208481 /nfs/dbraw/zinc/20/84/81/172208481.db2.gz AUKVFTMLDZDENY-CYBMUJFWSA-N 0 3 253.317 3.644 10 0 CHAEHN CCc1ccc([C@@H](NC)c2cc(F)cc(F)c2)s1 ZINC000035460891 172209530 /nfs/dbraw/zinc/20/95/30/172209530.db2.gz CDEQRQSFADJLDM-AWEZNQCLSA-N 0 3 267.344 3.898 10 0 CHAEHN CN[C@@H](c1ccc(Cl)cc1)c1cccc(OC)c1 ZINC000035464489 172212282 /nfs/dbraw/zinc/21/22/82/172212282.db2.gz VNFXUNARIIDYIS-HNNXBMFYSA-N 0 3 261.752 3.657 10 0 CHAEHN CN[C@H](c1ccc(Cl)cc1)c1ccccc1OC ZINC000035464544 172212446 /nfs/dbraw/zinc/21/24/46/172212446.db2.gz BNLZVIXYUAEYKW-OAHLLOKOSA-N 0 3 261.752 3.657 10 0 CHAEHN CN[C@@H](c1cc(C)sc1C)c1cc(F)cc(F)c1 ZINC000035497651 172231637 /nfs/dbraw/zinc/23/16/37/172231637.db2.gz MCKUUOXSQFDNDF-CQSZACIVSA-N 0 3 267.344 3.952 10 0 CHAEHN CN[C@@H](c1csc2ccccc21)c1cccnc1 ZINC000035499590 172232771 /nfs/dbraw/zinc/23/27/71/172232771.db2.gz WQSKAGTVCWXQLG-OAHLLOKOSA-N 0 3 254.358 3.605 10 0 CHAEHN CCOc1cc(Cl)c([C@@H](CC)NC)cc1OCC ZINC000035501057 172235025 /nfs/dbraw/zinc/23/50/25/172235025.db2.gz BJOLYDDECISAAD-GFCCVEGCSA-N 0 3 271.788 3.808 10 0 CHAEHN CN[C@@H](CC(C)(C)C)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507270 172239826 /nfs/dbraw/zinc/23/98/26/172239826.db2.gz UEZFTHIMZXSZKA-ZDUSSCGKSA-N 0 3 280.799 3.531 10 0 CHAEHN CCN[C@H](c1ccc(C)s1)c1ccc(OC)cc1 ZINC000035510331 172241769 /nfs/dbraw/zinc/24/17/69/172241769.db2.gz MCFDQLGTTBCSNK-HNNXBMFYSA-N 0 3 261.390 3.764 10 0 CHAEHN CCN[C@@H](c1ccccc1)c1cncc(Br)c1 ZINC000035540487 172246947 /nfs/dbraw/zinc/24/69/47/172246947.db2.gz FRBNUBCAAVXAQS-AWEZNQCLSA-N 0 3 291.192 3.543 10 0 CHAEHN CCN[C@H](CC(F)(F)F)c1ccc(OC)cc1C ZINC000035543324 172250799 /nfs/dbraw/zinc/25/07/99/172250799.db2.gz RNIAZOIUZOXOBV-GFCCVEGCSA-N 0 3 261.287 3.607 10 0 CHAEHN CCN[C@@H](c1ccoc1C)c1ccc(OC)c(C)c1 ZINC000035571361 172267092 /nfs/dbraw/zinc/26/70/92/172267092.db2.gz WPDMTAXJLJFKAY-MRXNPFEDSA-N 0 3 259.349 3.604 10 0 CHAEHN CCN[C@H](c1cccs1)c1ccc(OC)c(C)c1 ZINC000035571363 172267667 /nfs/dbraw/zinc/26/76/67/172267667.db2.gz NKAPPMDUBPCERY-HNNXBMFYSA-N 0 3 261.390 3.764 10 0 CHAEHN CCN[C@H](c1ccsc1)c1ccc(OC)c(C)c1 ZINC000035571320 172267716 /nfs/dbraw/zinc/26/77/16/172267716.db2.gz GWNGHNRJHIKLOT-HNNXBMFYSA-N 0 3 261.390 3.764 10 0 CHAEHN CCCN[C@@H](c1ccc(Cl)s1)[C@H]1CCCO1 ZINC000035583672 172282386 /nfs/dbraw/zinc/28/23/86/172282386.db2.gz GXIUZCOIDHSDDZ-BXKDBHETSA-N 0 3 259.802 3.621 10 0 CHAEHN CCCN[C@H](CC)c1cc(OC)c(OC)cc1Cl ZINC000035584692 172284290 /nfs/dbraw/zinc/28/42/90/172284290.db2.gz UXCRVYFUXAJPEL-GFCCVEGCSA-N 0 3 271.788 3.808 10 0 CHAEHN Cc1cc(Br)c2c(c1)[C@H](NC(C)C)CCO2 ZINC000035653806 172330584 /nfs/dbraw/zinc/33/05/84/172330584.db2.gz NWXDGXKCBMRMBL-GFCCVEGCSA-N 0 3 284.197 3.579 10 0 CHAEHN COc1ccc(C[C@H](C)N[C@@H](C)c2ccco2)cc1 ZINC000035738442 172391428 /nfs/dbraw/zinc/39/14/28/172391428.db2.gz FDUJVSVJSRYWRR-STQMWFEESA-N 0 3 259.349 3.570 10 0 CHAEHN CCN[C@@H]1c2cc(Cl)cc(Cl)c2OC[C@H]1C ZINC000035754491 172396252 /nfs/dbraw/zinc/39/62/52/172396252.db2.gz SFLUBERQXYUBKM-HQJQHLMTSA-N 0 3 260.164 3.673 10 0 CHAEHN C[C@@H]1C[C@@H](NC2CC2)c2cc3c(cc2S1)CCC3 ZINC000035761118 172399565 /nfs/dbraw/zinc/39/95/65/172399565.db2.gz OPIMRAVTYWZHSI-MEBBXXQBSA-N 0 3 259.418 3.853 10 0 CHAEHN Cc1cc(C)c([C@@H](C)NCc2ccccc2)c(C)n1 ZINC000037187737 173018108 /nfs/dbraw/zinc/01/81/08/173018108.db2.gz DYPHNTPDFIGZBA-CQSZACIVSA-N 0 3 254.377 3.858 10 0 CHAEHN CCCN(c1ccc(F)cc1CNCC)C(C)C ZINC000037236648 173054177 /nfs/dbraw/zinc/05/41/77/173054177.db2.gz RRMVSJJRSJNSCW-UHFFFAOYSA-N 0 3 252.377 3.560 10 0 CHAEHN Fc1ccc(Oc2ccccc2)c(CNC2CC2)c1 ZINC000037237766 173055503 /nfs/dbraw/zinc/05/55/03/173055503.db2.gz GMJXUYUZMTYFNJ-UHFFFAOYSA-N 0 3 257.308 3.870 10 0 CHAEHN CN[C@H](Cc1ccsc1)c1nc2ccccc2s1 ZINC000037239464 173056391 /nfs/dbraw/zinc/05/63/91/173056391.db2.gz GDDBBUVXVAOBRU-GFCCVEGCSA-N 0 3 274.414 3.861 10 0 CHAEHN CN(Cc1cccc(F)c1)[C@@H](CN)c1ccc(Cl)s1 ZINC000037328340 173129363 /nfs/dbraw/zinc/12/93/63/173129363.db2.gz LSNYLJILCAQQCS-LBPRGKRZSA-N 0 3 298.814 3.672 10 0 CHAEHN CC[C@H](C(=O)c1ccccc1)N1C[C@@H](C)C[C@H](C)C1 ZINC000037331872 173133882 /nfs/dbraw/zinc/13/38/82/173133882.db2.gz QGYKWSOFMCWJIP-OFQRWUPVSA-N 0 3 259.393 3.626 10 0 CHAEHN CCc1ccc(C(=O)[C@H](C)N(CC)CC(C)C)cc1 ZINC000037336416 173137903 /nfs/dbraw/zinc/13/79/03/173137903.db2.gz LWJCPDGGPJQWFU-AWEZNQCLSA-N 0 3 261.409 3.798 10 0 CHAEHN CCN([C@H](C)C(=O)c1ccc(F)cc1)C1CCCC1 ZINC000037337421 173138505 /nfs/dbraw/zinc/13/85/05/173138505.db2.gz LIXPNAKKIYQMFO-GFCCVEGCSA-N 0 3 263.356 3.661 10 0 CHAEHN CCCn1c2ccc(C)cc2nc1[C@H](N)CCSC ZINC000037438321 173208689 /nfs/dbraw/zinc/20/86/89/173208689.db2.gz GBRAUHBVJDHAKC-GFCCVEGCSA-N 0 3 277.437 3.508 10 0 CHAEHN CC[C@H](C)[C@@H](N)c1nc2cc(F)ccc2n1C(C)C ZINC000037439744 173209859 /nfs/dbraw/zinc/20/98/59/173209859.db2.gz NZAYMQPRHSHBNT-IINYFYTJSA-N 0 3 263.360 3.802 10 0 CHAEHN CCC[C@@H](N)c1nc2cc(Cl)ccc2n1CC ZINC000037440397 173210174 /nfs/dbraw/zinc/21/01/74/173210174.db2.gz FNKAZCCGSRGSMI-SNVBAGLBSA-N 0 3 251.761 3.510 10 0 CHAEHN CC(C)NCc1nc2cc(Cl)ccc2n1C1CC1 ZINC000037599851 173553283 /nfs/dbraw/zinc/55/32/83/173553283.db2.gz GFQFLIMNIKFUJT-UHFFFAOYSA-N 0 3 263.772 3.523 10 0 CHAEHN CCn1c2cccc(F)c2nc1[C@@H](N)C1CCCCC1 ZINC000038036845 174036872 /nfs/dbraw/zinc/03/68/72/174036872.db2.gz NNBYVATUAFLAKM-AWEZNQCLSA-N 0 3 275.371 3.775 10 0 CHAEHN CN[C@H](c1sccc1C)c1ccc2c(c1)CCCO2 ZINC000038057887 174068174 /nfs/dbraw/zinc/06/81/74/174068174.db2.gz KRXWHWPGUKDDLU-HNNXBMFYSA-N 0 3 273.401 3.690 10 0 CHAEHN CCN[C@@H](CC(F)(F)F)c1ccc2c(c1)CCCO2 ZINC000038058114 174068715 /nfs/dbraw/zinc/06/87/15/174068715.db2.gz VCRUQZPZHIGBPI-LBPRGKRZSA-N 0 3 273.298 3.615 10 0 CHAEHN CCNCc1cc(-c2cc(F)cc(F)c2)ccc1F ZINC000038070256 174081382 /nfs/dbraw/zinc/08/13/82/174081382.db2.gz GNZCDHRZRVEENZ-UHFFFAOYSA-N 0 3 265.278 3.880 10 0 CHAEHN CNCc1cc(-c2cc(F)ccc2C)ccc1OC ZINC000038070876 174081941 /nfs/dbraw/zinc/08/19/41/174081941.db2.gz OWIIBFLYRKHVKG-UHFFFAOYSA-N 0 3 259.324 3.529 10 0 CHAEHN NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCCCCC1 ZINC000039142612 174164177 /nfs/dbraw/zinc/16/41/77/174164177.db2.gz XSNJWNYBKDEADW-AWEZNQCLSA-N 0 3 287.234 3.869 10 0 CHAEHN CC(C)(C)C[C@H](N)c1ccc(Br)s1 ZINC000040236333 174212100 /nfs/dbraw/zinc/21/21/00/174212100.db2.gz LWZGUMXJJIXHHU-ZETCQYMHSA-N 0 3 262.216 3.947 10 0 CHAEHN C[C@H](Cn1c2ccccc2[nH]c1=S)N1CCCCC1 ZINC000045005394 175288166 /nfs/dbraw/zinc/28/81/66/175288166.db2.gz NRRCYYOYIXHIBI-GFCCVEGCSA-N 0 3 275.421 3.573 10 0 CHAEHN CC(C)NCc1nc(-c2ccccc2Cl)cs1 ZINC000045206549 175328374 /nfs/dbraw/zinc/32/83/74/175328374.db2.gz QTWZTTVBZNTSBN-UHFFFAOYSA-N 0 3 266.797 3.962 10 0 CHAEHN C[C@H]1CCC[C@@H]1NC1=NC[C@H](c2ccccc2)S1 ZINC000071208730 176081303 /nfs/dbraw/zinc/08/13/03/176081303.db2.gz LNFXMHZRGLMFJT-FPMFFAJLSA-N 0 3 260.406 3.609 10 0 CHAEHN C[C@@H](c1ccccc1)N1Cc2ccc(F)cc2C1=N ZINC000071268588 176102066 /nfs/dbraw/zinc/10/20/66/176102066.db2.gz LEARAXKCCOSOTD-NSHDSACASA-N 0 3 254.308 3.728 10 0 CHAEHN CCC(N)(CC)c1nc(C)cc(C2CCCCC2)n1 ZINC000071397854 176151844 /nfs/dbraw/zinc/15/18/44/176151844.db2.gz CUDNXCFQJLRXRY-UHFFFAOYSA-N 0 3 261.413 3.807 10 0 CHAEHN CNCc1ncc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000071586923 176213674 /nfs/dbraw/zinc/21/36/74/176213674.db2.gz QEDADOHCVDYCTK-UHFFFAOYSA-N 0 3 260.406 3.827 10 0 CHAEHN CCCCc1ccc(-c2cnc(CNC)s2)cc1 ZINC000071586925 176213809 /nfs/dbraw/zinc/21/38/09/176213809.db2.gz KOFNWSLOMONIEA-UHFFFAOYSA-N 0 3 260.406 3.872 10 0 CHAEHN COc1ccc2c(c1)C1(CC1)CN[C@@H]2c1ccc(F)cc1 ZINC000071633479 176237861 /nfs/dbraw/zinc/23/78/61/176237861.db2.gz KQXMOOPIGAPEOB-QGZVFWFLSA-N 0 3 283.346 3.559 10 0 CHAEHN CNCc1oc2cc(C)c(Cl)c(C)c2c1COC ZINC000077071701 177187535 /nfs/dbraw/zinc/18/75/35/177187535.db2.gz MYMCUDSTDQZSFS-UHFFFAOYSA-N 0 3 267.756 3.569 10 0 CHAEHN CCNCc1oc2c(cc(Cl)cc2Cl)c1COC ZINC000077071880 177187952 /nfs/dbraw/zinc/18/79/52/177187952.db2.gz DJUYGVZZCBJMOJ-UHFFFAOYSA-N 0 3 288.174 3.996 10 0 CHAEHN CCNCc1oc2c(ccc3ccccc23)c1COC ZINC000077072320 177188357 /nfs/dbraw/zinc/18/83/57/177188357.db2.gz FRNBJXAUGQHRFT-UHFFFAOYSA-N 0 3 269.344 3.842 10 0 CHAEHN C[C@H](COCc1ccccc1)N[C@H]1CCCc2occc21 ZINC000192910342 227383097 /nfs/dbraw/zinc/38/30/97/227383097.db2.gz APNIRTZUFKKHCJ-PBHICJAKSA-N 0 3 285.387 3.852 10 0 CHAEHN CS[C@@H]1CC[C@H]1N[C@@H](C)c1cccc(Cl)c1 ZINC000309877545 260197066 /nfs/dbraw/zinc/19/70/66/260197066.db2.gz UADBLGWRFDRULT-ZWKOPEQDSA-N 0 3 255.814 3.885 10 0 CHAEHN C[C@H](NCCn1cc(Cl)cn1)c1cccc(Cl)c1 ZINC000312887310 260218105 /nfs/dbraw/zinc/21/81/05/260218105.db2.gz QCNXJAWMLBKLHB-JTQLQIEISA-N 0 3 284.190 3.541 10 0 CHAEHN CN(Cc1sc2ccccc2c1Cl)CC1CC(O)C1 ZINC000091499116 260266329 /nfs/dbraw/zinc/26/63/29/260266329.db2.gz PRQVSCSZMQLREN-UHFFFAOYSA-N 0 3 295.835 3.757 10 0 CHAEHN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1cc(OC)ccc1OC ZINC000090175871 260336741 /nfs/dbraw/zinc/33/67/41/260336741.db2.gz LJXWVKPDUXSXNG-ZOWXZIJZSA-N 0 3 263.381 3.543 10 0 CHAEHN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1ccc(OC)cc1OC ZINC000090175323 260336753 /nfs/dbraw/zinc/33/67/53/260336753.db2.gz GRJDJMAYTUTEGS-ZOWXZIJZSA-N 0 3 263.381 3.543 10 0 CHAEHN CC[C@H](N[C@@H](C)c1ncc(Br)s1)C(C)C ZINC000126472030 260353436 /nfs/dbraw/zinc/35/34/36/260353436.db2.gz KQLPXUBASMZSJW-IUCAKERBSA-N 0 3 291.258 3.991 10 0 CHAEHN Cc1ccccc1[C@@H](NCCn1cccn1)c1ccccc1 ZINC000175172734 261211037 /nfs/dbraw/zinc/21/10/37/261211037.db2.gz AUYHHRCJQJMAJK-IBGZPJMESA-N 0 3 291.398 3.571 10 0 CHAEHN C[C@@H](NCc1cccn1C)c1ccc(OC(F)(F)F)cc1 ZINC000161582585 261252459 /nfs/dbraw/zinc/25/24/59/261252459.db2.gz JJNWYQFWVMYBDL-LLVKDONJSA-N 0 3 298.308 3.775 10 0 CHAEHN CC(C)Oc1ccc(CN[C@H](C)[C@H]2CCCO2)cc1Cl ZINC000188390005 262293563 /nfs/dbraw/zinc/29/35/63/262293563.db2.gz VLJBRBFRDCLLEE-IUODEOHRSA-N 0 3 297.826 3.784 10 0 CHAEHN Cc1nn(C)cc1CN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000148853491 264385242 /nfs/dbraw/zinc/38/52/42/264385242.db2.gz WVWNDDWRVKZZTD-ZDUSSCGKSA-N 0 3 271.408 3.703 10 0 CHAEHN CCn1cccc1CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000094952627 265277518 /nfs/dbraw/zinc/27/75/18/265277518.db2.gz JSRBCXDZUWHVKR-ZDUSSCGKSA-N 0 3 260.356 3.806 10 0 CHAEHN COc1ccc(OCCN2CCC[C@H]2c2ccco2)cc1 ZINC000116299072 267137237 /nfs/dbraw/zinc/13/72/37/267137237.db2.gz FKLNMASFUUFUOF-INIZCTEOSA-N 0 3 287.359 3.504 10 0 CHAEHN C[C@H](c1c(F)cccc1F)N1CCNCc2ccccc21 ZINC000062818195 327895568 /nfs/dbraw/zinc/89/55/68/327895568.db2.gz PKPLTRKRDOKDIS-GFCCVEGCSA-N 0 3 288.341 3.636 10 0 CHAEHN CCCC(=O)N[C@@H]1CCCN([C@@H](CC)c2ccccc2)C1 ZINC000101563085 328356830 /nfs/dbraw/zinc/35/68/30/328356830.db2.gz BMRYWXOSHJQJSC-SJORKVTESA-N 0 3 288.435 3.518 10 0 CHAEHN COc1ccc(C[C@@H](C)N[C@@H](C)c2ccc(C)o2)cc1 ZINC000036960596 326901382 /nfs/dbraw/zinc/90/13/82/326901382.db2.gz PGROYRWRDQCXQZ-OCCSQVGLSA-N 0 3 273.376 3.878 10 0 CHAEHN C[C@H](CN[C@@H]1COc2ccccc21)c1ccccc1 ZINC000070529084 326917604 /nfs/dbraw/zinc/91/76/04/326917604.db2.gz UPGSLNDRBZFZDE-CZUORRHYSA-N 0 3 253.345 3.513 10 0 CHAEHN Cc1c(CN[C@H](CC(C)C)c2ccccc2)cnn1C ZINC000093649666 327132655 /nfs/dbraw/zinc/13/26/55/327132655.db2.gz RADOSGQJPMAKTE-QGZVFWFLSA-N 0 3 271.408 3.606 10 0 CHAEHN C[C@H](N[C@@H]1CCCCC[C@H]1O)c1csc(Cl)c1 ZINC000300527304 327382981 /nfs/dbraw/zinc/38/29/81/327382981.db2.gz DTBMXSRDRLPZQR-MVWJERBFSA-N 0 3 273.829 3.746 10 0 CHAEHN CSCCCN1CCCC[C@@H]1c1ccc(C)o1 ZINC000173796434 329152211 /nfs/dbraw/zinc/15/22/11/329152211.db2.gz UIMYGKAJMWSYDI-CYBMUJFWSA-N 0 3 253.411 3.868 10 0 CHAEHN C[C@H](N[C@H](c1cccnc1)c1ccc(F)c(F)c1)C1CC1 ZINC000177291655 329185673 /nfs/dbraw/zinc/18/56/73/329185673.db2.gz ZTULCAOQAMEEFK-GTNSWQLSSA-N 0 3 288.341 3.837 10 0 CHAEHN C[C@H](N[C@@H](c1ccncc1)c1ccc(F)cc1)C1CC1 ZINC000177313135 329186035 /nfs/dbraw/zinc/18/60/35/329186035.db2.gz XDZPPKCGPYWFBN-YVEFUNNKSA-N 0 3 270.351 3.698 10 0 CHAEHN CC(C)(C)OC(=O)CCCCN1CCC[C@@H]1c1ccco1 ZINC000181889467 329238205 /nfs/dbraw/zinc/23/82/05/329238205.db2.gz PYFLXARXERUYBV-CQSZACIVSA-N 0 3 293.407 3.929 10 0 CHAEHN C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1O)c1csc(Cl)c1 ZINC000191292097 329411918 /nfs/dbraw/zinc/41/19/18/329411918.db2.gz FMMFOBRUCYPOTI-RJIBLYRGSA-N 0 3 293.819 3.710 10 0 CHAEHN CC[C@H](C)[C@H](C)N[C@H](c1nc(C2CC2)no1)C(C)C ZINC000246321692 329830829 /nfs/dbraw/zinc/83/08/29/329830829.db2.gz FIZNYGDWIBAFQG-GVXVVHGQSA-N 0 3 265.401 3.668 10 0 CHAEHN CCN1CCC[C@H](N[C@H](C)c2sc(C(C)C)nc2C)C1 ZINC000247225511 329877681 /nfs/dbraw/zinc/87/76/81/329877681.db2.gz YAJGUPLJKGGFJJ-OCCSQVGLSA-N 0 3 295.496 3.710 10 0 CHAEHN C[C@@H](NCc1cccn1C)c1ccc(F)c(Cl)c1 ZINC000161776322 329955316 /nfs/dbraw/zinc/95/53/16/329955316.db2.gz ANPUXXBOOQYIEE-SNVBAGLBSA-N 0 3 266.747 3.668 10 0 CHAEHN Cc1ccccc1[C@@H](NC[C@H]1CCCO1)c1ccccc1 ZINC000105689678 330327951 /nfs/dbraw/zinc/32/79/51/330327951.db2.gz CYDNTOHBKOJUAA-MJGOQNOKSA-N 0 3 281.399 3.853 10 0 CHAEHN Cc1csc(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000079055086 330330260 /nfs/dbraw/zinc/33/02/60/330330260.db2.gz GKOGCADOGRHVRI-VHSXEESVSA-N 0 3 278.343 3.662 10 0 CHAEHN COc1ccccc1[C@@H](C)N[C@H]1C[C@@H]1c1ccccc1 ZINC000044673986 330331524 /nfs/dbraw/zinc/33/15/24/330331524.db2.gz WMEQSYNCKCDHKB-XYPHTWIQSA-N 0 3 267.372 3.902 10 0 CHAEHN CC(C)COc1ccc([C@H](C)N[C@@H]2CCO[C@@H]2C)cc1 ZINC000121658223 330404403 /nfs/dbraw/zinc/40/44/03/330404403.db2.gz YTFSYDRAIQZBKR-JJRVBVJISA-N 0 3 277.408 3.549 10 0 CHAEHN Cc1ccc(OC2CCN(Cc3cc[nH]c3)CC2)cc1C ZINC000092096240 330407306 /nfs/dbraw/zinc/40/73/06/330407306.db2.gz KLPFAJJBTWVMNG-UHFFFAOYSA-N 0 3 284.403 3.675 10 0 CHAEHN CCCCCOc1ccc(CN[C@H]2CCO[C@@H]2C)cc1 ZINC000149450746 330574095 /nfs/dbraw/zinc/57/40/95/330574095.db2.gz JDURRBDWXUPXBF-PBHICJAKSA-N 0 3 277.408 3.523 10 0 CHAEHN C[C@H](COCc1ccccc1)N[C@@H](C)c1cccc(O)c1 ZINC000194904076 331072559 /nfs/dbraw/zinc/07/25/59/331072559.db2.gz HRLNCTFIMFBWCL-CABCVRRESA-N 0 3 285.387 3.648 10 0 CHAEHN CCC[C@@H](O)CN[C@@H](c1ccccc1)c1ccccc1C ZINC000166060615 331306441 /nfs/dbraw/zinc/30/64/41/331306441.db2.gz URXSVHNEJZYCSQ-MJGOQNOKSA-N 0 3 283.415 3.835 10 0 CHAEHN Cc1ccccc1[C@@H](NC[C@@H](O)C(C)C)c1ccccc1 ZINC000166066545 331306567 /nfs/dbraw/zinc/30/65/67/331306567.db2.gz AJACNEGVBKVNRO-MOPGFXCFSA-N 0 3 283.415 3.691 10 0 CHAEHN COc1ccc(Cl)cc1[C@H](C)N[C@H]1CCCC[C@@H]1CO ZINC000153811729 334680191 /nfs/dbraw/zinc/68/01/91/334680191.db2.gz BPOWKKFVWOMNPK-ZOWXZIJZSA-N 0 3 297.826 3.550 10 0 CHAEHN Cc1cncc([C@@H](C)N[C@H](C)COCc2ccccc2)c1 ZINC000184371174 333127707 /nfs/dbraw/zinc/12/77/07/333127707.db2.gz JWOVDHVAUZBFOI-HZPDHXFCSA-N 0 3 284.403 3.646 10 0 CHAEHN CC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccc2ccccc2c1 ZINC000192581934 333236544 /nfs/dbraw/zinc/23/65/44/333236544.db2.gz NXMOBWVBWYGFSW-KKUMJFAQSA-N 0 3 298.430 3.794 10 0 CHAEHN OCC[C@@H]1CCN(Cc2sc3ccccc3c2Cl)C1 ZINC000227575097 333286150 /nfs/dbraw/zinc/28/61/50/333286150.db2.gz KLPCIQVYAAIZRL-NSHDSACASA-N 0 3 295.835 3.759 10 0 CHAEHN CSC1(CN[C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000228021469 333292765 /nfs/dbraw/zinc/29/27/65/333292765.db2.gz DWWRROQVZNYZSI-ZDUSSCGKSA-N 0 3 277.433 3.774 10 0 CHAEHN C[C@@H](CCN[C@@H]1COc2ccccc21)c1ccccc1 ZINC000070528702 333814859 /nfs/dbraw/zinc/81/48/59/333814859.db2.gz RIAOVOYEVVEVBH-WMLDXEAASA-N 0 3 267.372 3.904 10 0 CHAEHN COCc1ccc(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000268771920 334715719 /nfs/dbraw/zinc/71/57/19/334715719.db2.gz FGZUDYVJCORJFG-MNOVXSKESA-N 0 3 291.313 3.637 10 0 CHAEHN Cc1nc(C(C)(C)C)sc1[C@@H](C)NC[C@@H](O)C(C)(C)C ZINC000164084525 334876252 /nfs/dbraw/zinc/87/62/52/334876252.db2.gz KREWPLSOHNKBJA-ZYHUDNBSSA-N 0 3 298.496 3.807 10 0 CHAEHN C[C@@H](NC[C@@H]1[C@H]2COC[C@H]21)c1cc(Cl)sc1Cl ZINC000367626616 335930475 /nfs/dbraw/zinc/93/04/75/335930475.db2.gz PLHYTFMADAESSB-QQRDMOCMSA-N 0 3 292.231 3.598 10 0 CHAEHN CCCN[C@@H](CC(F)(F)F)c1cc(F)cc(F)c1 ZINC000055225665 519991377 /nfs/dbraw/zinc/99/13/77/519991377.db2.gz YLEBFEVNNPQTIT-NSHDSACASA-N 0 3 267.241 3.958 10 0 CHAEHN CCNCc1sc(Cc2cccc(Cl)c2)nc1C ZINC000052330312 520033177 /nfs/dbraw/zinc/03/31/77/520033177.db2.gz ZXNNJLHKCBEWIU-UHFFFAOYSA-N 0 3 280.824 3.805 10 0 CHAEHN CC(C)C[C@@H]1CSC(N[C@H](C)Cc2ccsc2)=N1 ZINC000049185360 519276144 /nfs/dbraw/zinc/27/61/44/519276144.db2.gz YKWPSMZZKPBQAI-DGCLKSJQSA-N 0 3 282.478 3.786 10 0 CHAEHN CC(C)CNCc1ccoc1CO[C@@H](C)CC(C)C ZINC000052603300 519747987 /nfs/dbraw/zinc/74/79/87/519747987.db2.gz PWQCOZOLGFSHPB-AWEZNQCLSA-N 0 3 267.413 3.976 10 0 CHAEHN CC(C)COCc1c(CN)sc2cccc(F)c21 ZINC000052622504 519759246 /nfs/dbraw/zinc/75/92/46/519759246.db2.gz WNSOBPIQYLXFIN-UHFFFAOYSA-N 0 3 267.369 3.672 10 0 CHAEHN CCNC1(c2nccs2)CCC(C(C)C)CC1 ZINC000054557552 519909308 /nfs/dbraw/zinc/90/93/08/519909308.db2.gz BOMHFMLFBDVFPL-UHFFFAOYSA-N 0 3 252.427 3.794 10 0 CHAEHN CCNCc1ccc(COc2cc(C)cc(C)c2)o1 ZINC000052666387 519998539 /nfs/dbraw/zinc/99/85/39/519998539.db2.gz WVRHHZWGFLVRCE-UHFFFAOYSA-N 0 3 259.349 3.585 10 0 CHAEHN CCCN[C@@H](COCCC)c1ccc(F)cc1C ZINC000055227739 520008975 /nfs/dbraw/zinc/00/89/75/520008975.db2.gz NVPPWJRIXCAHFI-HNNXBMFYSA-N 0 3 253.361 3.601 10 0 CHAEHN CCCOc1cccc(-c2nc(CNCC)cs2)c1 ZINC000052921144 520438825 /nfs/dbraw/zinc/43/88/25/520438825.db2.gz BQHFHHHZPBFOBD-UHFFFAOYSA-N 0 3 276.405 3.708 10 0 CHAEHN CCC[C@@H](NCc1c(C)n[nH]c1C)c1cccs1 ZINC000049541541 520779958 /nfs/dbraw/zinc/77/99/58/520779958.db2.gz RNBJHMAYEFPBSB-CYBMUJFWSA-N 0 3 263.410 3.719 10 0 CHAEHN CCCC[C@H](CC)Cn1nc(C)c([C@@H](C)NC)c1C ZINC000054717975 521180170 /nfs/dbraw/zinc/18/01/70/521180170.db2.gz MVQMFIXVEWZEEG-DOMZBBRYSA-N 0 3 265.445 3.997 10 0 CHAEHN CCN(c1nc(C)c(CNC)s1)c1ccccc1C ZINC000054995994 521503286 /nfs/dbraw/zinc/50/32/86/521503286.db2.gz GZVWATZVDBGZDN-UHFFFAOYSA-N 0 3 275.421 3.637 10 0 CHAEHN CN[C@H](c1ccc(F)cc1C)c1cc(F)ccc1C ZINC000055228428 522479209 /nfs/dbraw/zinc/47/92/09/522479209.db2.gz OJEGWACGWCVKPG-MRXNPFEDSA-N 0 3 261.315 3.890 10 0 CHAEHN CN(Cc1ccsc1)c1nc(C(C)(C)C)c(CN)s1 ZINC000054997193 523488760 /nfs/dbraw/zinc/48/87/60/523488760.db2.gz DXZPEXNDXAMOTG-UHFFFAOYSA-N 0 3 295.477 3.597 10 0 CHAEHN CCc1ccc([C@](C)(N)c2ccc(F)c(F)c2)cc1 ZINC000055237128 524057149 /nfs/dbraw/zinc/05/71/49/524057149.db2.gz FKHBVIZGDNJWCU-INIZCTEOSA-N 0 3 261.315 3.749 10 0 CHAEHN C[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2CN)C1 ZINC000052858408 524151612 /nfs/dbraw/zinc/15/16/12/524151612.db2.gz FVLKBPXZADLQJI-GXFFZTMASA-N 0 3 253.773 3.756 10 0 CHAEHN C[C@H]1CCC[C@@H](Sc2nc3c(cc2CN)CCC3)C1 ZINC000054692449 524154894 /nfs/dbraw/zinc/15/48/94/524154894.db2.gz IXBZUWNFFSKTSX-SMDDNHRTSA-N 0 3 276.449 3.700 10 0 CHAEHN C[C@@H]1CCC[C@H](Oc2ccc(Cl)cc2CN)C1 ZINC000052858405 524412086 /nfs/dbraw/zinc/41/20/86/524412086.db2.gz FVLKBPXZADLQJI-MFKMUULPSA-N 0 3 253.773 3.756 10 0 CHAEHN C[C@H]1CN(Cc2ccccc2Cl)c2ccccc2CN1 ZINC000062673117 524636057 /nfs/dbraw/zinc/63/60/57/524636057.db2.gz JTNWNHZOAOCTHM-ZDUSSCGKSA-N 0 3 286.806 3.838 10 0 CHAEHN Cc1cc(F)ccc1[C@@H](N)c1cc(F)c(F)c(F)c1 ZINC000055226616 525005463 /nfs/dbraw/zinc/00/54/63/525005463.db2.gz OODZTPAFKCWCAA-AWEZNQCLSA-N 0 3 269.241 3.600 10 0 CHAEHN Cc1ccccc1-c1csc(CNCC(C)C)n1 ZINC000061801246 525006425 /nfs/dbraw/zinc/00/64/25/525006425.db2.gz KOVRVANAJBODCU-UHFFFAOYSA-N 0 3 260.406 3.864 10 0 CHAEHN Cc1ccc([O-])c(C[NH2+][C@H](c2ccccc2)C(C)C)n1 ZINC000103341216 525354588 /nfs/dbraw/zinc/35/45/88/525354588.db2.gz LHRKZPJCOYOWOV-KRWDZBQOSA-N 0 3 270.376 3.583 10 0 CHAEHN Cc1ccccc1[C@H](N[C@H](C)CCCO)c1ccccc1 ZINC000094941976 525431949 /nfs/dbraw/zinc/43/19/49/525431949.db2.gz NIGGRYPVEXZAQR-VQIMIIECSA-N 0 3 283.415 3.835 10 0 CHAEHN C[C@H](N[C@@H](C)[C@@H]1CCCO1)c1cnc2ccsc2c1 ZINC000085433302 525524078 /nfs/dbraw/zinc/52/40/78/525524078.db2.gz VRJIBFZSOYLHRE-MJVIPROJSA-N 0 3 276.405 3.514 10 0 CHAEHN C[C@H](N[C@H]1C[C@H](C)Sc2sccc21)[C@@H]1CCCO1 ZINC000130318021 525636867 /nfs/dbraw/zinc/63/68/67/525636867.db2.gz OTUBDSCDFPYMEV-UKJIMTQDSA-N 0 3 283.462 3.831 10 0 CHAEHN Cc1ccc([C@H](C)NCc2cncc(F)c2)c(C)c1 ZINC000275162149 525931058 /nfs/dbraw/zinc/93/10/58/525931058.db2.gz JDCRAZCDUSJALJ-ZDUSSCGKSA-N 0 3 258.340 3.688 10 0 CHAEHN C[C@H](c1nc(-c2ccccc2)no1)[C@H](N)c1ccccc1 ZINC000157947262 526169596 /nfs/dbraw/zinc/16/95/96/526169596.db2.gz HUHHYQLXKLBWNN-WFASDCNBSA-N 0 3 279.343 3.540 10 0 CHAEHN Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@@H]1C[C@@H]1C ZINC000052274791 526661359 /nfs/dbraw/zinc/66/13/59/526661359.db2.gz VZYIWYKUZYFDHK-ATZCPNFKSA-N 0 3 252.427 3.808 10 0 CHAEHN Cc1nc(C2(N)CCC(C(C)C)CC2)sc1C ZINC000054557534 526767244 /nfs/dbraw/zinc/76/72/44/526767244.db2.gz OAPCPLPLESAQBP-UHFFFAOYSA-N 0 3 252.427 3.760 10 0 CHAEHN Cc1oc(CNC(C)(C)C)cc1COC(C)(C)C ZINC000052629777 526774166 /nfs/dbraw/zinc/77/41/66/526774166.db2.gz XHJBDWMRGWLKKQ-UHFFFAOYSA-N 0 3 253.386 3.791 10 0 CHAEHN Cc1oc(CNCC(C)C)cc1COCCC(C)C ZINC000052624805 526774299 /nfs/dbraw/zinc/77/42/99/526774299.db2.gz JUVAFIZEOLOBKN-UHFFFAOYSA-N 0 3 267.413 3.896 10 0 CHAEHN N=C1CCCCN1c1ccccc1SC(F)F ZINC000049583999 526839719 /nfs/dbraw/zinc/83/97/19/526839719.db2.gz LFHKSFOXYGRPOJ-UHFFFAOYSA-N 0 3 256.321 3.969 10 0 CHAEHN NC[C@@H](Oc1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000054932408 527205930 /nfs/dbraw/zinc/20/59/30/527205930.db2.gz PVZXLIXUXDDJDU-CQSZACIVSA-N 0 3 283.705 3.697 10 0 CHAEHN N[C@H](Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000050518347 527388542 /nfs/dbraw/zinc/38/85/42/527388542.db2.gz GZYJZEBXXAGDCI-LLVKDONJSA-N 0 3 255.239 3.541 10 0 CHAEHN N[C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000050329883 567893850 /nfs/dbraw/zinc/89/38/50/567893850.db2.gz OHEZFCJRANVAOW-JTQLQIEISA-N 0 3 264.781 3.800 10 0 CHAEHN CC[C@H](NCc1cccnc1Br)C(C)(C)C ZINC000669379457 566950873 /nfs/dbraw/zinc/95/08/73/566950873.db2.gz CIDMPHVNDQAUEY-NSHDSACASA-N 0 3 285.229 3.758 10 0 CHAEHN CCC[C@H](N)c1cc2cccc(Br)c2o1 ZINC000083821462 567027513 /nfs/dbraw/zinc/02/75/13/567027513.db2.gz LMVNITAOQCKNHK-JTQLQIEISA-N 0 3 268.154 3.995 10 0 CHAEHN N[C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000019433747 567878093 /nfs/dbraw/zinc/87/80/93/567878093.db2.gz KKKNZIQXBOFPBU-CYBMUJFWSA-N 0 3 269.241 3.893 10 0 CHAEHN C=C(OCC)c1cc(Cl)ccc1CNC1CC1 ZINC000725268159 567924131 /nfs/dbraw/zinc/92/41/31/567924131.db2.gz GZPDVTCHOCUXFX-UHFFFAOYSA-N 0 3 251.757 3.599 10 0 CHAEHN CCCc1nc(Cc2ccc(Cl)cc2)sc1CN ZINC000082426955 178002269 /nfs/dbraw/zinc/00/22/69/178002269.db2.gz VKPGMVVTYHVPAS-UHFFFAOYSA-N 0 3 280.824 3.799 10 0 CHAEHN CCOc1cccc(-c2nc(C(C)C)c(CN)s2)c1 ZINC000082431106 178009162 /nfs/dbraw/zinc/00/91/62/178009162.db2.gz IXSQBGLDHOBFQN-UHFFFAOYSA-N 0 3 276.405 3.791 10 0 CHAEHN CC(C)Cc1nc(C(C)(C)C)c(CNC2CC2)s1 ZINC000082439987 178018747 /nfs/dbraw/zinc/01/87/47/178018747.db2.gz XEXHCYAASSMQLN-UHFFFAOYSA-N 0 3 266.454 3.891 10 0 CHAEHN CC(C)(C)c1nc(-c2cccs2)sc1CN ZINC000082440563 178019413 /nfs/dbraw/zinc/01/94/13/178019413.db2.gz WTJCUIMMQFFRJX-UHFFFAOYSA-N 0 3 252.408 3.628 10 0 CHAEHN Cc1noc(C)c1CN[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000095983378 185054376 /nfs/dbraw/zinc/05/43/76/185054376.db2.gz RZIDGAGVRNHTOD-DUVNUKRYSA-N 0 3 262.397 3.596 10 0 CHAEHN CC[C@H](N)c1cc2cc(Br)ccc2o1 ZINC000083160718 178345356 /nfs/dbraw/zinc/34/53/56/178345356.db2.gz RBUTVFJUZZTIGR-VIFPVBQESA-N 0 3 254.127 3.605 10 0 CHAEHN C[C@@H](N)c1cc2cccc(Br)c2s1 ZINC000096884436 185120221 /nfs/dbraw/zinc/12/02/21/185120221.db2.gz HYHORQHFGFBIIJ-ZCFIWIBFSA-N 0 3 256.168 3.684 10 0 CHAEHN Cc1ccc([C@H](N)Cc2ccccc2Br)o1 ZINC000096978598 185145180 /nfs/dbraw/zinc/14/51/80/185145180.db2.gz ADWXSNKGRONNKY-GFCCVEGCSA-N 0 3 280.165 3.593 10 0 CHAEHN C(\CN1CCCCC1)=C(\c1ccccc1)c1ccccn1 ZINC000098179922 185698325 /nfs/dbraw/zinc/69/83/25/185698325.db2.gz LRVFUICSZLJCLM-LDADJPATSA-N 0 3 278.399 3.999 10 0 CHAEHN N[C@@H](CC(=O)Nc1ccc(Cl)cc1F)c1ccccc1 ZINC000037029122 260063467 /nfs/dbraw/zinc/06/34/67/260063467.db2.gz FUMXUTRZTHJINS-ZDUSSCGKSA-N 0 3 292.741 3.508 10 0 CHAEHN CCCNC(=O)C1CC2CCCC(C1)C21SCCS1 ZINC000005978722 170165472 /nfs/dbraw/zinc/16/54/72/170165472.db2.gz PXWREVZYUQMXSM-YHWZYXNKSA-N 0 3 299.505 3.515 10 0 CHAEHN CCN(CC)CCn1c2cc(C)c(C)cc2[nH]c1=S ZINC000006869549 170251484 /nfs/dbraw/zinc/25/14/84/170251484.db2.gz JTVVGIMDLFGPFV-UHFFFAOYSA-N 0 3 277.437 3.658 10 0 CHAEHN O=C(CNC1CCCCCCC1)Nc1ccccc1Cl ZINC000008131052 170320110 /nfs/dbraw/zinc/32/01/10/170320110.db2.gz GTOFEHXKEVLZBK-UHFFFAOYSA-N 0 3 294.826 3.981 10 0 CHAEHN CC[C@@H](NCc1ccc(F)cc1)c1ccc(O)cc1 ZINC000019943803 170935672 /nfs/dbraw/zinc/93/56/72/170935672.db2.gz PVPBEEPVFAQXMC-MRXNPFEDSA-N 0 3 259.324 3.772 10 0 CHAEHN CN(C)C[C@H](N[C@H]1CCc2ccccc21)c1ccccc1 ZINC000020129377 171016866 /nfs/dbraw/zinc/01/68/66/171016866.db2.gz LYZGRXOZMSWMMN-OALUTQOASA-N 0 3 280.415 3.566 10 0 CHAEHN C[C@@H](N[C@@H](C)c1ccc(F)c(Cl)c1)[C@@H]1CCCO1 ZINC000020208213 171072365 /nfs/dbraw/zinc/07/23/65/171072365.db2.gz QKNWBKHCVZPZOO-RBZYPMLTSA-N 0 3 271.763 3.697 10 0 CHAEHN Cc1noc(C)c1CN[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020252835 171105307 /nfs/dbraw/zinc/10/53/07/171105307.db2.gz BPZZOKYSMDJUMC-IILDEKEXSA-N 0 3 288.435 3.986 10 0 CHAEHN C[C@@H](N)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000020267873 171124434 /nfs/dbraw/zinc/12/44/34/171124434.db2.gz LILMDPNASMIPBN-MRVPVSSYSA-N 0 3 255.239 3.985 10 0 CHAEHN Cc1cccc([C@H](N)c2ccc(OC(C)C)cc2)c1 ZINC000020434825 171200732 /nfs/dbraw/zinc/20/07/32/171200732.db2.gz BFDLPAGKVLIFHH-QGZVFWFLSA-N 0 3 255.361 3.830 10 0 CHAEHN CCOc1ccccc1Oc1cccc(Cl)c1CN ZINC000020470202 171211761 /nfs/dbraw/zinc/21/17/61/171211761.db2.gz WYTWJOUSXMBYET-UHFFFAOYSA-N 0 3 277.751 3.990 10 0 CHAEHN NCc1c(Cl)cccc1Oc1ccc(F)cc1 ZINC000020470272 171212211 /nfs/dbraw/zinc/21/22/11/171212211.db2.gz ZCBLWGNJDSWQGQ-UHFFFAOYSA-N 0 3 251.688 3.730 10 0 CHAEHN COc1ccc(F)cc1[C@@H](N)CC1CCCCC1 ZINC000020470422 171212628 /nfs/dbraw/zinc/21/26/28/171212628.db2.gz FWIWMMVRIXHVCR-AWEZNQCLSA-N 0 3 251.345 3.805 10 0 CHAEHN COc1ccc([C@H](N)COc2cccc(C(C)C)c2)cc1 ZINC000020547951 171245379 /nfs/dbraw/zinc/24/53/79/171245379.db2.gz CXLGUOFLLRJFGP-GOSISDBHSA-N 0 3 285.387 3.897 10 0 CHAEHN c1ccc2sc(CNCC3CCCCC3)nc2c1 ZINC000020549398 171246390 /nfs/dbraw/zinc/24/63/90/171246390.db2.gz LDXACVJNQVRIAJ-UHFFFAOYSA-N 0 3 260.406 3.966 10 0 CHAEHN Cc1cc(C)cc(OC[C@@H](N)c2ccccc2C)c1 ZINC000020553607 171249050 /nfs/dbraw/zinc/24/90/50/171249050.db2.gz RIGWIGYBQIUFPG-QGZVFWFLSA-N 0 3 255.361 3.691 10 0 CHAEHN Cc1cc(C)cc(OC[C@H](N)c2ccc(C)c(C)c2)c1 ZINC000020565389 171254073 /nfs/dbraw/zinc/25/40/73/171254073.db2.gz NQMBVFZAIPSFER-SFHVURJKSA-N 0 3 269.388 3.999 10 0 CHAEHN Cc1ccc([C@@H](N)COc2ccc(C)c(C)c2)cc1 ZINC000020565394 171254096 /nfs/dbraw/zinc/25/40/96/171254096.db2.gz XIIJSCTUAWKQHW-KRWDZBQOSA-N 0 3 255.361 3.691 10 0 CHAEHN N[C@H]1c2ccccc2C[C@@H]1Oc1cccc2ccccc21 ZINC000020567406 171255285 /nfs/dbraw/zinc/25/52/85/171255285.db2.gz PLZAAGCJIDPPHA-OALUTQOASA-N 0 3 275.351 3.843 10 0 CHAEHN CCc1ccc(O[C@@H](C)[C@@H](N)c2ccccc2)cc1 ZINC000021013939 171288881 /nfs/dbraw/zinc/28/88/81/171288881.db2.gz MKZDRTFSBOXCQD-SUMWQHHRSA-N 0 3 255.361 3.716 10 0 CHAEHN CCCc1ccc([C@@H](N)COc2ccc(F)cc2)cc1 ZINC000021504434 171307174 /nfs/dbraw/zinc/30/71/74/171307174.db2.gz UGSPRYQHVJYYFQ-KRWDZBQOSA-N 0 3 273.351 3.857 10 0 CHAEHN N[C@@H]1c2ccccc2C[C@H]1Oc1ccc2ccccc2c1 ZINC000021504339 171307304 /nfs/dbraw/zinc/30/73/04/171307304.db2.gz MYOGJYIDFZJMAS-RTBURBONSA-N 0 3 275.351 3.843 10 0 CHAEHN COc1cccc(OC[C@@H](N)c2c(C)cc(C)cc2C)c1 ZINC000021507156 171308398 /nfs/dbraw/zinc/30/83/98/171308398.db2.gz VTVGOEFKPQOKCF-QGZVFWFLSA-N 0 3 285.387 3.699 10 0 CHAEHN CCOc1cc2c(cc1CNCCC(C)C)O[C@H](C)C2 ZINC000021507960 171308636 /nfs/dbraw/zinc/30/86/36/171308636.db2.gz RYHHWTAAIYIYTK-CYBMUJFWSA-N 0 3 277.408 3.544 10 0 CHAEHN CCc1ccc(OC[C@@H](N)c2ccc(CC)cc2)cc1 ZINC000021517446 171313658 /nfs/dbraw/zinc/31/36/58/171313658.db2.gz HBEHWBUJFCDTKP-GOSISDBHSA-N 0 3 269.388 3.890 10 0 CHAEHN CCc1ccc(OC[C@@H](N)c2ccc(C)c(C)c2)cc1 ZINC000021798282 171325224 /nfs/dbraw/zinc/32/52/24/171325224.db2.gz RJGOSGAGUBCEGW-GOSISDBHSA-N 0 3 269.388 3.945 10 0 CHAEHN CCc1ccc(OC[C@H](N)c2ccc(C)c(C)c2)cc1 ZINC000021798285 171325309 /nfs/dbraw/zinc/32/53/09/171325309.db2.gz RJGOSGAGUBCEGW-SFHVURJKSA-N 0 3 269.388 3.945 10 0 CHAEHN CCOc1ccc(OC[C@H](N)c2ccc(CC)cc2)cc1 ZINC000021799970 171325863 /nfs/dbraw/zinc/32/58/63/171325863.db2.gz REHYMRRNUGAYAG-SFHVURJKSA-N 0 3 285.387 3.727 10 0 CHAEHN Fc1ccc(CNCCc2ccccc2F)c(Cl)c1 ZINC000021801750 171326309 /nfs/dbraw/zinc/32/63/09/171326309.db2.gz VNASPYGYUMEQOV-UHFFFAOYSA-N 0 3 281.733 3.951 10 0 CHAEHN Cc1ccc([C@H](N)COC2CCC(C)CC2)cc1C ZINC000021814664 171331617 /nfs/dbraw/zinc/33/16/17/171331617.db2.gz IPZCWLPYXKJJDQ-UAIPMZCESA-N 0 3 261.409 3.899 10 0 CHAEHN CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CCCCN1 ZINC000022015220 171349673 /nfs/dbraw/zinc/34/96/73/171349673.db2.gz DRQZNYLBSJTDDD-ZDUSSCGKSA-N 0 3 276.380 3.848 10 0 CHAEHN C[C@@H]1CCCCN1[C@@H](CN)c1ccccc1C(F)(F)F ZINC000022210857 171373564 /nfs/dbraw/zinc/37/35/64/171373564.db2.gz UQRWOZSQDSPVDY-RISCZKNCSA-N 0 3 286.341 3.580 10 0 CHAEHN CCCN(CCC)c1cccc(Cl)c1CNC ZINC000034823524 171876711 /nfs/dbraw/zinc/87/67/11/171876711.db2.gz YATQMYYCEOUXTK-UHFFFAOYSA-N 0 3 254.805 3.686 10 0 CHAEHN C[C@@H](NC1=NC[C@H](C)S1)C12CC3CC(CC(C3)C1)C2 ZINC000035294345 172106179 /nfs/dbraw/zinc/10/61/79/172106179.db2.gz IQLZPKMURIDLPX-NUOQBOJZSA-N 0 3 278.465 3.672 10 0 CHAEHN Cc1cc([C@@H](N)c2cc3c(s2)CCC3)c(C)s1 ZINC000035381405 172163703 /nfs/dbraw/zinc/16/37/03/172163703.db2.gz UWPVBBPHQJUORW-CQSZACIVSA-N 0 3 263.431 3.963 10 0 CHAEHN CCNCc1cccc(OC)c1OCc1cccc(C)c1 ZINC000035413719 172187013 /nfs/dbraw/zinc/18/70/13/172187013.db2.gz PCFSTJCMZPFVAK-UHFFFAOYSA-N 0 3 285.387 3.692 10 0 CHAEHN C[C@H](N)c1ccc2ccccc2c1OCC(F)(F)F ZINC000035427328 172194893 /nfs/dbraw/zinc/19/48/93/172194893.db2.gz RYHDJZSUMOOUFJ-VIFPVBQESA-N 0 3 269.266 3.801 10 0 CHAEHN CNCc1c(Oc2cccc(Cl)c2)nc2sccn21 ZINC000035430687 172199179 /nfs/dbraw/zinc/19/91/79/172199179.db2.gz LSBPBWFLZHQBDF-UHFFFAOYSA-N 0 3 293.779 3.561 10 0 CHAEHN CN[C@@H](c1cc(Br)ccc1OC)C(C)(C)C ZINC000035456160 172206804 /nfs/dbraw/zinc/20/68/04/172206804.db2.gz GULPTUSKGXFWJX-LBPRGKRZSA-N 0 3 286.213 3.764 10 0 CHAEHN CN[C@@H](c1ccc(C)s1)c1ccc(OC(F)F)cc1 ZINC000035458773 172207342 /nfs/dbraw/zinc/20/73/42/172207342.db2.gz IFIDPBYXCZTWDW-CYBMUJFWSA-N 0 3 283.343 3.967 10 0 CHAEHN CN[C@H](c1ccsc1)c1ccc2c(c1)CCCC2 ZINC000035459955 172209330 /nfs/dbraw/zinc/20/93/30/172209330.db2.gz WBVUKSVQUDQBDI-INIZCTEOSA-N 0 3 257.402 3.936 10 0 CHAEHN CN[C@@H](c1cc2c(s1)CCC2)c1ccc(F)cc1 ZINC000035463535 172211539 /nfs/dbraw/zinc/21/15/39/172211539.db2.gz DSSQWDKSPZFPAB-OAHLLOKOSA-N 0 3 261.365 3.685 10 0 CHAEHN CN[C@H](c1ccccc1)c1cc(F)cc(Br)c1 ZINC000035464880 172212108 /nfs/dbraw/zinc/21/21/08/172212108.db2.gz PEUYKGQCKPGYDA-CQSZACIVSA-N 0 3 294.167 3.897 10 0 CHAEHN CN[C@@H](c1cc(C)sc1C)c1ccc(F)c(F)c1 ZINC000035497610 172231576 /nfs/dbraw/zinc/23/15/76/172231576.db2.gz NJFVXVCZVSMWII-CQSZACIVSA-N 0 3 267.344 3.952 10 0 CHAEHN CN[C@@H](CC(F)(F)F)c1ccc(OC(C)C)cc1 ZINC000035498905 172231907 /nfs/dbraw/zinc/23/19/07/172231907.db2.gz HKQLUOLPRRAJEV-LBPRGKRZSA-N 0 3 261.287 3.687 10 0 CHAEHN CN[C@@H](c1sccc1C)c1ccc(OC)c(C)c1 ZINC000035506058 172239401 /nfs/dbraw/zinc/23/94/01/172239401.db2.gz SKYFZJWYXCGEOE-CQSZACIVSA-N 0 3 261.390 3.682 10 0 CHAEHN CN[C@@H](c1ccc(C)s1)c1ccc(OC)c(F)c1 ZINC000035507453 172239880 /nfs/dbraw/zinc/23/98/80/172239880.db2.gz TWWBTKBSLXLEEX-CQSZACIVSA-N 0 3 265.353 3.513 10 0 CHAEHN CCN[C@@H](c1ccoc1C)c1ccc(OC)c(Cl)c1 ZINC000035538305 172244720 /nfs/dbraw/zinc/24/47/20/172244720.db2.gz GEBUTWVFRFHHTB-OAHLLOKOSA-N 0 3 279.767 3.949 10 0 CHAEHN CCN[C@@H](c1ccc(C)cc1)c1ccccc1OC ZINC000035541110 172247575 /nfs/dbraw/zinc/24/75/75/172247575.db2.gz FLWVNPPRSLLPOG-KRWDZBQOSA-N 0 3 255.361 3.703 10 0 CHAEHN CCN[C@H](c1ccc(C)cc1)c1cc(F)cc(F)c1 ZINC000035541065 172247784 /nfs/dbraw/zinc/24/77/84/172247784.db2.gz PUUOLVSPJUCDOS-MRXNPFEDSA-N 0 3 261.315 3.972 10 0 CHAEHN CCN[C@H](c1ccsc1)c1ccc(OC)cc1C ZINC000035542960 172250816 /nfs/dbraw/zinc/25/08/16/172250816.db2.gz UDEJHEIHCHQLLF-OAHLLOKOSA-N 0 3 261.390 3.764 10 0 CHAEHN CCN[C@H](c1ccc(F)c(F)c1)c1ccccc1C ZINC000035549110 172256684 /nfs/dbraw/zinc/25/66/84/172256684.db2.gz NUKWUZADVVQOON-MRXNPFEDSA-N 0 3 261.315 3.972 10 0 CHAEHN CCN[C@@H](c1ccoc1C)c1ccc2c(c1)CCC2 ZINC000035551236 172258325 /nfs/dbraw/zinc/25/83/25/172258325.db2.gz INCNWZVXIUPHGU-QGZVFWFLSA-N 0 3 255.361 3.776 10 0 CHAEHN CCN[C@@H](c1ccc(C)o1)c1ccc2c(c1)CCC2 ZINC000035551171 172258569 /nfs/dbraw/zinc/25/85/69/172258569.db2.gz ACZGTLLPQDANNR-QGZVFWFLSA-N 0 3 255.361 3.776 10 0 CHAEHN CCC[C@H](NCC)c1cc(OC)c(OC)cc1Cl ZINC000035557531 172262612 /nfs/dbraw/zinc/26/26/12/172262612.db2.gz PQWBUHUARNJNMX-LBPRGKRZSA-N 0 3 271.788 3.808 10 0 CHAEHN CCN[C@@H](c1cc(OC)c(OC)cc1Cl)C(C)C ZINC000035557526 172262700 /nfs/dbraw/zinc/26/27/00/172262700.db2.gz ZFKBWMYVVMTABX-CQSZACIVSA-N 0 3 271.788 3.664 10 0 CHAEHN CCN[C@H](Cc1ncc[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000035570442 172266114 /nfs/dbraw/zinc/26/61/14/172266114.db2.gz QKOVHPBYHDLSMD-GFCCVEGCSA-N 0 3 284.190 3.610 10 0 CHAEHN CCN[C@@H](CC)c1cc(Br)ccc1OCC ZINC000035571161 172267329 /nfs/dbraw/zinc/26/73/29/172267329.db2.gz ZVGNJTZZPQPUIJ-LBPRGKRZSA-N 0 3 286.213 3.908 10 0 CHAEHN CCCN[C@H](c1ccsc1)c1ccc2c(c1)CCO2 ZINC000035579059 172275288 /nfs/dbraw/zinc/27/52/88/172275288.db2.gz LLKIPIZABPHRJX-INIZCTEOSA-N 0 3 273.401 3.772 10 0 CHAEHN CCCN[C@@H](CC(F)(F)F)c1ccc(F)c(F)c1 ZINC000035582509 172280058 /nfs/dbraw/zinc/28/00/58/172280058.db2.gz ADXZVAMOMPPZRI-NSHDSACASA-N 0 3 267.241 3.958 10 0 CHAEHN CCC(C)(C)c1ccc2c(c1)[C@H](NC1CC1)CCO2 ZINC000035653560 172330686 /nfs/dbraw/zinc/33/06/86/172330686.db2.gz OQUSECLDBUDXRM-OAHLLOKOSA-N 0 3 259.393 3.950 10 0 CHAEHN CCN[C@@H]1CCCOc2c(Cl)ccc(Cl)c21 ZINC000035654230 172330772 /nfs/dbraw/zinc/33/07/72/172330772.db2.gz YTGPFAGXIJINIJ-SNVBAGLBSA-N 0 3 260.164 3.817 10 0 CHAEHN CN[C@@H]1COc2c1cc(C(C)(C)C)cc2C(C)(C)C ZINC000035654750 172331920 /nfs/dbraw/zinc/33/19/20/172331920.db2.gz ZMXLCUSOESDSSL-CQSZACIVSA-N 0 3 261.409 3.935 10 0 CHAEHN C[C@H]1C[C@@H](NC2CC2)c2cc3c(cc2S1)CCC3 ZINC000035761121 172399716 /nfs/dbraw/zinc/39/97/16/172399716.db2.gz OPIMRAVTYWZHSI-ZUZCIYMTSA-N 0 3 259.418 3.853 10 0 CHAEHN N[C@H](c1ccc(Cl)cc1)c1cccc(OC(F)F)c1 ZINC000037308781 173112033 /nfs/dbraw/zinc/11/20/33/173112033.db2.gz KYQFZIUJXKGZHE-CYBMUJFWSA-N 0 3 283.705 3.990 10 0 CHAEHN CCN(Cc1ccccc1)[C@@H](CN)c1ccc(C)s1 ZINC000037328324 173128432 /nfs/dbraw/zinc/12/84/32/173128432.db2.gz HSPRYMQONBUVPL-HNNXBMFYSA-N 0 3 274.433 3.578 10 0 CHAEHN Cc1ccc(CN(C)[C@H](CN)c2ccc(Cl)s2)cc1 ZINC000037328339 173128665 /nfs/dbraw/zinc/12/86/65/173128665.db2.gz CCGLGPDSIPCWLB-CYBMUJFWSA-N 0 3 294.851 3.842 10 0 CHAEHN CCCn1c2ccc(C)cc2nc1[C@H](N)[C@@H](C)CC ZINC000037438355 173208555 /nfs/dbraw/zinc/20/85/55/173208555.db2.gz RMSLVSSUFUKPNH-SWLSCSKDSA-N 0 3 259.397 3.801 10 0 CHAEHN CCn1c2ccc(Cl)cc2nc1[C@H](N)CC(C)C ZINC000037440344 173210065 /nfs/dbraw/zinc/21/00/65/173210065.db2.gz VYGTXPPJDBQVGY-LLVKDONJSA-N 0 3 265.788 3.756 10 0 CHAEHN CCCn1c2ccc(Cl)cc2nc1[C@@H](N)CCSC ZINC000037440553 173210586 /nfs/dbraw/zinc/21/05/86/173210586.db2.gz WHZSKAUQEAYTFT-NSHDSACASA-N 0 3 297.855 3.853 10 0 CHAEHN CCC[C@H](N)c1nc2cc(Br)ccc2n1CC ZINC000037441487 173210858 /nfs/dbraw/zinc/21/08/58/173210858.db2.gz LCXZBSFLJGADON-JTQLQIEISA-N 0 3 296.212 3.619 10 0 CHAEHN Clc1cccc2nc([C@@H]3CCCCN3)n(C3CC3)c21 ZINC000037444435 173212483 /nfs/dbraw/zinc/21/24/83/173212483.db2.gz TYFGLCXLQRXNCU-ZDUSSCGKSA-N 0 3 275.783 3.839 10 0 CHAEHN CCOc1cccc([C@H](NC)c2ccc(C)cc2)c1 ZINC000037533378 173253801 /nfs/dbraw/zinc/25/38/01/173253801.db2.gz CLCUROHVZNIBPF-QGZVFWFLSA-N 0 3 255.361 3.703 10 0 CHAEHN Cc1nccc(CN[C@@H](c2cccs2)C2CCCC2)n1 ZINC000038037806 174038696 /nfs/dbraw/zinc/03/86/96/174038696.db2.gz MHMWDILWAMZQDA-MRXNPFEDSA-N 0 3 287.432 3.868 10 0 CHAEHN CCn1c2ccccc2nc1CN[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000038046639 174055164 /nfs/dbraw/zinc/05/51/64/174055164.db2.gz PQRRMNOFPIBLNM-ILXRZTDVSA-N 0 3 285.435 3.971 10 0 CHAEHN CNCc1cc(-c2ccc(F)cc2C)ccc1OC ZINC000038071227 174082318 /nfs/dbraw/zinc/08/23/18/174082318.db2.gz XHBGPDNMDBGLJH-UHFFFAOYSA-N 0 3 259.324 3.529 10 0 CHAEHN C[C@@H](CNCc1sc2ccccc2c1Cl)N(C)C ZINC000038087325 174098692 /nfs/dbraw/zinc/09/86/92/174098692.db2.gz UAWCOQWYNXYKHQ-JTQLQIEISA-N 0 3 282.840 3.594 10 0 CHAEHN COc1ccc([C@@H](C)NCCCC(C)C)c(F)c1 ZINC000038093670 174107352 /nfs/dbraw/zinc/10/73/52/174107352.db2.gz DSRNEWVQYXNBFJ-GFCCVEGCSA-N 0 3 253.361 3.921 10 0 CHAEHN CN[C@@H](Cc1ccc(Br)cc1)c1ccc(C)o1 ZINC000038132408 174132577 /nfs/dbraw/zinc/13/25/77/174132577.db2.gz QXTYTBFUACQLHZ-ZDUSSCGKSA-N 0 3 294.192 3.854 10 0 CHAEHN C[C@H](O[C@H]1CCC[C@H](C)C1)[C@H](N)c1ccc(F)cc1 ZINC000040177317 174202509 /nfs/dbraw/zinc/20/25/09/174202509.db2.gz FVLGVLKCSOIUGD-APYUEPQZSA-N 0 3 265.372 3.809 10 0 CHAEHN C[C@@H](NCc1cscn1)C12CC3CC(CC(C3)C1)C2 ZINC000040420467 174257233 /nfs/dbraw/zinc/25/72/33/174257233.db2.gz XANCHPRLXPYKAB-UWJCENJNSA-N 0 3 276.449 3.838 10 0 CHAEHN CC(C)C[C@@H]1CSC(NC[C@@H]2CCCC[C@@H]2C)=N1 ZINC000042865943 174895069 /nfs/dbraw/zinc/89/50/69/174895069.db2.gz CKFQNZNJPNCQPX-MELADBBJSA-N 0 3 268.470 3.920 10 0 CHAEHN CCCNCc1nc(C)c(-c2ccc(OC)cc2)s1 ZINC000071170045 176050688 /nfs/dbraw/zinc/05/06/88/176050688.db2.gz MYEZRZYPEBUJEE-UHFFFAOYSA-N 0 3 276.405 3.627 10 0 CHAEHN COc1ccc2c(c1)C1(CC1)CN[C@@H]2c1cccc(C)c1 ZINC000071630428 176235959 /nfs/dbraw/zinc/23/59/59/176235959.db2.gz LQXJMPZLZVULDN-GOSISDBHSA-N 0 3 279.383 3.728 10 0 CHAEHN COc1ccc2c(c1)C(C)(C)CN[C@H]2c1ccc(C)cc1 ZINC000071631843 176236674 /nfs/dbraw/zinc/23/66/74/176236674.db2.gz XSEOILXEQUMWJO-SFHVURJKSA-N 0 3 281.399 3.974 10 0 CHAEHN CC(C)c1c(CN)cnn1-c1ccc(Cl)c(Cl)c1 ZINC000071634531 176237835 /nfs/dbraw/zinc/23/78/35/176237835.db2.gz PQJMIUDXLFRXET-UHFFFAOYSA-N 0 3 284.190 3.761 10 0 CHAEHN CCN(CC[C@H]1NCCc2ccccc21)c1ccccc1 ZINC000076476728 177025374 /nfs/dbraw/zinc/02/53/74/177025374.db2.gz IHKQLGKJPWXDEA-LJQANCHMSA-N 0 3 280.415 3.790 10 0 CHAEHN CCN(CC[C@@H]1NCCc2ccccc21)c1ccccc1 ZINC000076476732 177025686 /nfs/dbraw/zinc/02/56/86/177025686.db2.gz IHKQLGKJPWXDEA-IBGZPJMESA-N 0 3 280.415 3.790 10 0 CHAEHN CCN[C@H](C)c1csc(-c2ccc(F)cc2)n1 ZINC000076784537 177091620 /nfs/dbraw/zinc/09/16/20/177091620.db2.gz HSPHOUCQLIQBGS-SECBINFHSA-N 0 3 250.342 3.620 10 0 CHAEHN CCCN[C@H](C)c1csc(-c2ccc(OC)cc2)n1 ZINC000076784375 177091823 /nfs/dbraw/zinc/09/18/23/177091823.db2.gz HBVRCMADPIBGOZ-LLVKDONJSA-N 0 3 276.405 3.879 10 0 CHAEHN CNCc1oc2ccc(-c3ccccc3)cc2c1COC ZINC000077072052 177188196 /nfs/dbraw/zinc/18/81/96/177188196.db2.gz ZCYYSJKHKMWGOR-UHFFFAOYSA-N 0 3 281.355 3.966 10 0 CHAEHN CC[C@H](C)C[C@H](C)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000088292463 260231130 /nfs/dbraw/zinc/23/11/30/260231130.db2.gz GYFRJTFKVOZKNG-KCQAQPDRSA-N 0 3 274.408 3.509 10 0 CHAEHN CCn1cccc1CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000091023573 260265141 /nfs/dbraw/zinc/26/51/41/260265141.db2.gz WHOJHWUZFYKRBC-LBPRGKRZSA-N 0 3 294.345 3.960 10 0 CHAEHN CCn1cccc1CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000091023576 260265342 /nfs/dbraw/zinc/26/53/42/260265342.db2.gz WHOJHWUZFYKRBC-GFCCVEGCSA-N 0 3 294.345 3.960 10 0 CHAEHN Cc1ccccc1[C@H](NC[C@@H](C)CCO)c1ccccc1 ZINC000093248987 260273401 /nfs/dbraw/zinc/27/34/01/260273401.db2.gz TUYRUXJHISYQBL-HNAYVOBHSA-N 0 3 283.415 3.693 10 0 CHAEHN Fc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCOc2ccccc21 ZINC000128476671 260374887 /nfs/dbraw/zinc/37/48/87/260374887.db2.gz XFINKCXLQONRPW-DLBZAZTESA-N 0 3 283.346 3.926 10 0 CHAEHN C[C@@H]1CC[C@H](NCc2cccn2C)c2ccccc21 ZINC000154175290 261088604 /nfs/dbraw/zinc/08/86/04/261088604.db2.gz CLSVXGKZFZIFCD-DYVFJYSZSA-N 0 3 254.377 3.753 10 0 CHAEHN Cc1ccccc1[C@@H](NCCn1ccnc1)c1ccccc1 ZINC000176539639 261294872 /nfs/dbraw/zinc/29/48/72/261294872.db2.gz IUWIHZMKTREOOD-IBGZPJMESA-N 0 3 291.398 3.571 10 0 CHAEHN Cc1cnn(CCCCCN[C@@H](C)c2ccc(C)o2)c1 ZINC000182598408 261945355 /nfs/dbraw/zinc/94/53/55/261945355.db2.gz COBZPPMIRPHQTC-HNNXBMFYSA-N 0 3 275.396 3.614 10 0 CHAEHN C[C@H](COCc1ccccc1)N[C@H](C)c1ccccc1 ZINC000390576121 262222036 /nfs/dbraw/zinc/22/20/36/262222036.db2.gz FQOZRVCAMQTQIH-HZPDHXFCSA-N 0 3 269.388 3.943 10 0 CHAEHN C[C@H](NC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1F ZINC000280898563 328236897 /nfs/dbraw/zinc/23/68/97/328236897.db2.gz BKTDAANJQZNRRT-RNJOBUHISA-N 0 3 283.362 3.819 10 0 CHAEHN COc1ccc(C[C@H](C)N[C@H](C)c2ccc(C)o2)cc1 ZINC000036960589 326901408 /nfs/dbraw/zinc/90/14/08/326901408.db2.gz PGROYRWRDQCXQZ-GXTWGEPZSA-N 0 3 273.376 3.878 10 0 CHAEHN CCC[C@@H](N[C@H](C)c1ncc(C)o1)C1CCCC1 ZINC000313421084 327128589 /nfs/dbraw/zinc/12/85/89/327128589.db2.gz DKOBYAZYYVWDGE-TZMCWYRMSA-N 0 3 250.386 3.993 10 0 CHAEHN Cc1ccccc1NC(=O)CCN1CCC[C@@H]1c1ccco1 ZINC000173653363 329150348 /nfs/dbraw/zinc/15/03/48/329150348.db2.gz RQACBDIXGXDDOM-MRXNPFEDSA-N 0 3 298.386 3.754 10 0 CHAEHN CCOC[C@@H](C)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000178727727 329200412 /nfs/dbraw/zinc/20/04/12/329200412.db2.gz OUFYWGODUSTBNQ-GDBMZVCRSA-N 0 3 289.419 3.838 10 0 CHAEHN Cc1cnc([C@H](C)N[C@H]2C[C@@H](C)CC(C)(C)C2)o1 ZINC000227555453 329327538 /nfs/dbraw/zinc/32/75/38/329327538.db2.gz AQVNZLDMUMSCBL-WXHSDQCUSA-N 0 3 250.386 3.848 10 0 CHAEHN Cc1cccc2c1OCC[C@@H]2NCc1cccs1 ZINC000188950024 329375806 /nfs/dbraw/zinc/37/58/06/329375806.db2.gz ZAHGPMNUHBDDNS-AWEZNQCLSA-N 0 3 259.374 3.670 10 0 CHAEHN O[C@@H]1CCCC[C@@H]1CN[C@H]1CCSc2ccc(F)cc21 ZINC000248180806 329888238 /nfs/dbraw/zinc/88/82/38/329888238.db2.gz WJJMGAPBTVKRCJ-BYCMXARLSA-N 0 3 295.423 3.503 10 0 CHAEHN CCOC[C@@H](C)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000044690310 330332265 /nfs/dbraw/zinc/33/22/65/330332265.db2.gz RNQVEIJBRJNWKW-HUUCEWRRSA-N 0 3 279.424 3.797 10 0 CHAEHN CCCCNC(=O)[C@H](C)N[C@H](C)c1ccc2ccccc2c1 ZINC000119304946 330372569 /nfs/dbraw/zinc/37/25/69/330372569.db2.gz URPRSMCDQSNVPW-CABCVRRESA-N 0 3 298.430 3.795 10 0 CHAEHN C[C@H](NCc1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000087758692 330374347 /nfs/dbraw/zinc/37/43/47/330374347.db2.gz JVOUQBAWEWVCCO-TVQRCGJNSA-N 0 3 274.191 3.651 10 0 CHAEHN CCc1ccc([C@H](C)NCC(=O)Nc2ccccc2C)cc1 ZINC000120431236 330388676 /nfs/dbraw/zinc/38/86/76/330388676.db2.gz MQJZKZTXSLNENJ-HNNXBMFYSA-N 0 3 296.414 3.847 10 0 CHAEHN C[C@H](N[C@@H]1C[C@@H]1C)c1ccccc1OC(F)(F)F ZINC000120425618 330388704 /nfs/dbraw/zinc/38/87/04/330388704.db2.gz WSPHHXMOHIQALM-ATZCPNFKSA-N 0 3 259.271 3.644 10 0 CHAEHN Cc1cc(CN[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)on1 ZINC000249797657 334340603 /nfs/dbraw/zinc/34/06/03/334340603.db2.gz AXCJMAQWSHRMHP-TUKIKUTGSA-N 0 3 250.386 3.533 10 0 CHAEHN CC(C)N(C)C(=O)[C@H](C)N[C@@H](C)c1ccc2ccccc2c1 ZINC000177410962 333058539 /nfs/dbraw/zinc/05/85/39/333058539.db2.gz CVHANIFLYUFCIZ-GJZGRUSLSA-N 0 3 298.430 3.746 10 0 CHAEHN CCc1cccc(CN2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000189215867 333186233 /nfs/dbraw/zinc/18/62/33/333186233.db2.gz HRDGFIGFYFRLJA-SFHVURJKSA-N 0 3 297.446 3.936 10 0 CHAEHN CC(C)C[C@@H](CN(C)C)N[C@@H](C)c1cccc(F)c1F ZINC000224983951 333228298 /nfs/dbraw/zinc/22/82/98/333228298.db2.gz GCEKWJGGOLWWGW-STQMWFEESA-N 0 3 284.394 3.592 10 0 CHAEHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037007445 333459803 /nfs/dbraw/zinc/45/98/03/333459803.db2.gz INBQNFHAAWRPIF-WWGRRREGSA-N 0 3 290.451 3.535 10 0 CHAEHN CC[C@H](C)CN[C@H](C)c1nc2ccccc2n1CC ZINC000133568286 334045328 /nfs/dbraw/zinc/04/53/28/334045328.db2.gz DIXBAXVBPYTVEO-QWHCGFSZSA-N 0 3 259.397 3.753 10 0 CHAEHN C[C@H](N[C@H]1CCCC[C@H]1O)c1ccc(-c2ccccc2)o1 ZINC000248170118 334296492 /nfs/dbraw/zinc/29/64/92/334296492.db2.gz UPDHUEHZZAXBMS-CWRNSKLLSA-N 0 3 285.387 3.901 10 0 CHAEHN COc1ccccc1[C@H](C)N[C@@H]1C[C@H]1c1ccccc1 ZINC000251293119 334359546 /nfs/dbraw/zinc/35/95/46/334359546.db2.gz WMEQSYNCKCDHKB-RRQGHBQHSA-N 0 3 267.372 3.902 10 0 CHAEHN CCCC[C@H](C)NCc1cccc(OCC)c1OC ZINC000050887536 521148023 /nfs/dbraw/zinc/14/80/23/521148023.db2.gz KLXJYHKGORRSER-ZDUSSCGKSA-N 0 3 265.397 3.762 10 0 CHAEHN CC(C)N(CC(F)(F)F)c1cc(Cl)ccc1CN ZINC000062787005 519638793 /nfs/dbraw/zinc/63/87/93/519638793.db2.gz PYYZZONCXIABQP-UHFFFAOYSA-N 0 3 280.721 3.576 10 0 CHAEHN CC(C)CN(CC(C)C)c1ncc(CNC2CC2)s1 ZINC000054905991 519713650 /nfs/dbraw/zinc/71/36/50/519713650.db2.gz YMRMARKXRMPNCD-UHFFFAOYSA-N 0 3 281.469 3.514 10 0 CHAEHN CC(C)CNCc1nc(CO[C@@H](C)CC(C)C)cs1 ZINC000052603096 519748533 /nfs/dbraw/zinc/74/85/33/519748533.db2.gz MYEJFVDSWUZZOC-ZDUSSCGKSA-N 0 3 284.469 3.840 10 0 CHAEHN CC(C)[C@H](CN(C)C)NCc1c(Cl)cccc1Cl ZINC000049196614 519814686 /nfs/dbraw/zinc/81/46/86/519814686.db2.gz MLXYFJXTGGFPLR-AWEZNQCLSA-N 0 3 289.250 3.669 10 0 CHAEHN CCCC1CCN(c2ccc(Cl)cc2CN)CC1 ZINC000052857836 519904435 /nfs/dbraw/zinc/90/44/35/519904435.db2.gz KCWQUUPELSNQIZ-UHFFFAOYSA-N 0 3 266.816 3.815 10 0 CHAEHN CCN[C@@H](c1ccc(Cl)cc1)[C@H]1CCCCO1 ZINC000050961921 520110645 /nfs/dbraw/zinc/11/06/45/520110645.db2.gz WYQLKIZQVIFHRG-KGLIPLIRSA-N 0 3 253.773 3.560 10 0 CHAEHN CCCOc1ccc(-c2nc(C)c([C@H](C)N)s2)cc1 ZINC000052919524 520316636 /nfs/dbraw/zinc/31/66/36/520316636.db2.gz ODORCKZVQWVMKS-JTQLQIEISA-N 0 3 276.405 3.927 10 0 CHAEHN CC1(C)CCc2ccccc2[C@@H]1NCc1cccnc1 ZINC000126156509 520414354 /nfs/dbraw/zinc/41/43/54/520414354.db2.gz XXYXCWSXFGSRRI-KRWDZBQOSA-N 0 3 266.388 3.885 10 0 CHAEHN CCCOc1ccc([C@@H](N)c2ccccc2C)cc1 ZINC000055263564 520417351 /nfs/dbraw/zinc/41/73/51/520417351.db2.gz AVMCJFFJBCKLNG-QGZVFWFLSA-N 0 3 255.361 3.832 10 0 CHAEHN CCCOc1ccc([C@H](N)c2cccc(F)c2)cc1 ZINC000055263392 520429998 /nfs/dbraw/zinc/42/99/98/520429998.db2.gz FWGPQQHUTMPIQY-INIZCTEOSA-N 0 3 259.324 3.663 10 0 CHAEHN CCC[C@@H](N)c1nc2c(s1)CCc1sccc1-2 ZINC000061326040 520726350 /nfs/dbraw/zinc/72/63/50/520726350.db2.gz USYQXXMGXUOQIO-SECBINFHSA-N 0 3 264.419 3.770 10 0 CHAEHN CCC(C)(C)[C@H](N)c1cc2c(cc1Cl)OCCO2 ZINC000054402491 521364030 /nfs/dbraw/zinc/36/40/30/521364030.db2.gz SJTAPCDJBSBCLC-CYBMUJFWSA-N 0 3 269.772 3.547 10 0 CHAEHN CCN(c1ccc(Cl)cc1CN)C1CCCCC1 ZINC000052856567 521489061 /nfs/dbraw/zinc/48/90/61/521489061.db2.gz SBXSAOBCPLDINN-UHFFFAOYSA-N 0 3 266.816 3.958 10 0 CHAEHN CCOc1ccccc1[C@@](C)(N)c1cccc(Cl)c1 ZINC000055239984 521581177 /nfs/dbraw/zinc/58/11/77/521581177.db2.gz QOWWVWAOQROBFO-INIZCTEOSA-N 0 3 275.779 3.961 10 0 CHAEHN CNCc1cc(F)c(Oc2cccc(F)c2)c(F)c1 ZINC000062720585 522115365 /nfs/dbraw/zinc/11/53/65/522115365.db2.gz RSXBVXZIQLDVRS-UHFFFAOYSA-N 0 3 267.250 3.616 10 0 CHAEHN CN[C@H](c1ccc(Cl)s1)c1ccc2c(c1)CCO2 ZINC000050892139 522479924 /nfs/dbraw/zinc/47/99/24/522479924.db2.gz IDHJPBZNZUEVSA-AWEZNQCLSA-N 0 3 279.792 3.645 10 0 CHAEHN CC[C@@H](c1cccs1)N1Cc2ccc(N)cc2C1 ZINC000049531892 523107398 /nfs/dbraw/zinc/10/73/98/523107398.db2.gz UCUYAJPAKVJJNI-AWEZNQCLSA-N 0 3 258.390 3.797 10 0 CHAEHN CCn1cccc1CNCc1cc(Br)cs1 ZINC000085609779 523501850 /nfs/dbraw/zinc/50/18/50/523501850.db2.gz HWQLQAKPDGISQC-UHFFFAOYSA-N 0 3 299.237 3.622 10 0 CHAEHN COc1ccc(CN2CCC[C@@H](c3nccs3)C2)cc1 ZINC000157000646 524027709 /nfs/dbraw/zinc/02/77/09/524027709.db2.gz QOSXNEZHNGWDNJ-CQSZACIVSA-N 0 3 288.416 3.531 10 0 CHAEHN Cc1ccc(COc2cc(F)ccc2[C@@H](C)N)cc1 ZINC000062745872 524626963 /nfs/dbraw/zinc/62/69/63/524626963.db2.gz XWMVIYVKLYLFDQ-GFCCVEGCSA-N 0 3 259.324 3.733 10 0 CHAEHN Cc1ccc(F)cc1[C@H](N)c1cccc(Br)c1 ZINC000055205854 524874757 /nfs/dbraw/zinc/87/47/57/524874757.db2.gz BOLVBMCNKMVBAC-CQSZACIVSA-N 0 3 294.167 3.945 10 0 CHAEHN Cc1cc(F)ccc1[C@H](N)c1ccc(F)c(Cl)c1 ZINC000062792173 525007617 /nfs/dbraw/zinc/00/76/17/525007617.db2.gz XGQROPIGUHJLJG-CQSZACIVSA-N 0 3 267.706 3.975 10 0 CHAEHN C[C@@H](N)c1cc(F)ccc1Oc1cccc(F)c1F ZINC000062615633 525023918 /nfs/dbraw/zinc/02/39/18/525023918.db2.gz JTWRIEILMWXFTC-MRVPVSSYSA-N 0 3 267.250 3.916 10 0 CHAEHN Cc1ccccc1[C@H](C)NCc1ccnn1C(C)C ZINC000279856100 525417234 /nfs/dbraw/zinc/41/72/34/525417234.db2.gz IRBJIXZWCYEALV-AWEZNQCLSA-N 0 3 257.381 3.623 10 0 CHAEHN C[C@H](N[C@@H]1C[C@H]1C)c1ccc(Br)s1 ZINC000052275050 525588523 /nfs/dbraw/zinc/58/85/23/525588523.db2.gz SFAIBOSCCGIIEC-GJMOJQLCSA-N 0 3 260.200 3.570 10 0 CHAEHN C[C@@H](N[C@@H](CN(C)C)c1ccccc1)c1ccsc1 ZINC000050338860 525626591 /nfs/dbraw/zinc/62/65/91/525626591.db2.gz PBWJYGLMXYIGRV-CJNGLKHVSA-N 0 3 274.433 3.702 10 0 CHAEHN C[C@@H](N[C@H](C)c1cccc(-n2ccnc2)c1)c1ccncc1 ZINC000156721397 525663493 /nfs/dbraw/zinc/66/34/93/525663493.db2.gz SHHPBHCSTPTKMG-HUUCEWRRSA-N 0 3 292.386 3.679 10 0 CHAEHN Cc1ccc([C@H](C)NCc2ccnn2C(C)C)c(C)c1 ZINC000279813201 525931241 /nfs/dbraw/zinc/93/12/41/525931241.db2.gz FVGXWEFMNDYJGP-HNNXBMFYSA-N 0 3 271.408 3.932 10 0 CHAEHN Cc1nc(-c2c(F)cccc2Cl)sc1[C@H](C)N ZINC000052903451 526559779 /nfs/dbraw/zinc/55/97/79/526559779.db2.gz KNRYKPHBGVAJKS-LURJTMIESA-N 0 3 270.760 3.931 10 0 CHAEHN Cc1nc(-c2ccccc2F)sc1CNC1CC1 ZINC000052330870 526607127 /nfs/dbraw/zinc/60/71/27/526607127.db2.gz UIYBOPJJEQZVMO-UHFFFAOYSA-N 0 3 262.353 3.510 10 0 CHAEHN NCc1sc2ccccc2c1COCc1ccco1 ZINC000052601905 527268915 /nfs/dbraw/zinc/26/89/15/527268915.db2.gz CYQNFAPBZNZCRX-UHFFFAOYSA-N 0 3 273.357 3.670 10 0 CHAEHN N[C@@H](c1ccsc1)c1ccccc1C(F)(F)F ZINC000055233791 527338797 /nfs/dbraw/zinc/33/87/97/527338797.db2.gz QQVBKLILYWKBIC-NSHDSACASA-N 0 3 257.280 3.815 10 0 CHAEHN N[C@H](c1ccccc1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000054682004 527391899 /nfs/dbraw/zinc/39/18/99/527391899.db2.gz XCSGDKTTZXDNCM-ZIAGYGMSSA-N 0 3 282.170 3.727 10 0 CHAEHN N[C@H](c1ccccc1)c1ccccc1OC(F)(F)F ZINC000055206058 527392156 /nfs/dbraw/zinc/39/21/56/527392156.db2.gz JPQLKGFRFAHSKP-CYBMUJFWSA-N 0 3 267.250 3.633 10 0 CHAEHN N[C@H](c1cccc(Cl)c1)c1ccc2ncccc2c1 ZINC000062802095 527393004 /nfs/dbraw/zinc/39/30/04/527393004.db2.gz KPXZDOCRRJWXQX-MRXNPFEDSA-N 0 3 268.747 3.936 10 0 CHAEHN CCC[C@@H](N)c1cc2cc(Br)ccc2o1 ZINC000083821555 567026722 /nfs/dbraw/zinc/02/67/22/567026722.db2.gz YVXKNKVFMFXMMX-SNVBAGLBSA-N 0 3 268.154 3.995 10 0 CHAEHN N[C@H](CC1CC1)c1cc2cccc(Br)c2o1 ZINC000163308740 567211544 /nfs/dbraw/zinc/21/15/44/567211544.db2.gz XJKDXBBREBMCCB-LLVKDONJSA-N 0 3 280.165 3.995 10 0 CHAEHN CCNCc1ccccc1OCc1cccc(C)c1 ZINC000033435583 567861142 /nfs/dbraw/zinc/86/11/42/567861142.db2.gz SIVTZDUTDMOEMT-UHFFFAOYSA-N 0 3 255.361 3.684 10 0 CHAEHN CNCc1ccccc1OCc1cccc(Cl)c1 ZINC000019777249 567879213 /nfs/dbraw/zinc/87/92/13/567879213.db2.gz ZGWYNCNWEWROBX-UHFFFAOYSA-N 0 3 261.752 3.638 10 0 CHAEHN CCN[C@H](c1cc(F)c(Br)cc1F)C1CC1 ZINC000070022811 567901444 /nfs/dbraw/zinc/90/14/44/567901444.db2.gz ZKRYRAIYLWSURV-LBPRGKRZSA-N 0 3 290.151 3.788 10 0 CHAEHN Cc1cccc(COc2ccccc2CNC2CC2)c1 ZINC000032115712 567955711 /nfs/dbraw/zinc/95/57/11/567955711.db2.gz DKFBZLBUBYABDO-UHFFFAOYSA-N 0 3 267.372 3.826 10 0 CHAEHN Cc1nc([C@@H](N[C@H]2CCC23CCCC3)c2ccccc2)n[nH]1 ZINC000189108528 1120474101 /nfs/dbraw/zinc/47/41/01/1120474101.db2.gz PBOMRFGYESQBBH-HOTGVXAUSA-N 0 3 296.418 3.515 10 0 CHAEHN CC(C)c1nc(-c2cccnc2)sc1CNC1CC1 ZINC000082429810 178007246 /nfs/dbraw/zinc/00/72/46/178007246.db2.gz XHNHQBQBPRVDCN-UHFFFAOYSA-N 0 3 273.405 3.581 10 0 CHAEHN CCCNCc1sc([C@@H]2CCCO2)nc1C(C)C ZINC000082430616 178008149 /nfs/dbraw/zinc/00/81/49/178008149.db2.gz FCLPBADUWNBMIW-NSHDSACASA-N 0 3 268.426 3.618 10 0 CHAEHN CC(C)NCc1sc([C@@H]2CCCO2)nc1C(C)(C)C ZINC000082440110 178018287 /nfs/dbraw/zinc/01/82/87/178018287.db2.gz LFZMZIZJKKBYBS-NSHDSACASA-N 0 3 282.453 3.790 10 0 CHAEHN CCN[C@@H]1CC2(CCCCC2)Oc2cc(OC)ccc21 ZINC000082509155 178075252 /nfs/dbraw/zinc/07/52/52/178075252.db2.gz XIPOYAXBDGSEBC-OAHLLOKOSA-N 0 3 275.392 3.831 10 0 CHAEHN Fc1ccccc1CNCCCSC(F)(F)F ZINC000095918304 185030676 /nfs/dbraw/zinc/03/06/76/185030676.db2.gz HTBDQQJDKMOJCQ-UHFFFAOYSA-N 0 3 267.291 3.558 10 0 CHAEHN Cc1cccc(-n2ncc(CNC(C)C)c2C(F)(F)F)c1 ZINC000082661606 178148615 /nfs/dbraw/zinc/14/86/15/178148615.db2.gz SUJLHONNIUBRKH-UHFFFAOYSA-N 0 3 297.324 3.698 10 0 CHAEHN CCC1(CC)CSC(NCC2(C)CCCC2)=N1 ZINC000104436469 186001543 /nfs/dbraw/zinc/00/15/43/186001543.db2.gz KQHBMSITBCBJAM-UHFFFAOYSA-N 0 3 254.443 3.818 10 0 CHAEHN Cn1cc([C@H]2CCCN2Cc2csc3ccccc23)cn1 ZINC000171413547 335065308 /nfs/dbraw/zinc/06/53/08/335065308.db2.gz YHEYDLWFPXWPSJ-MRXNPFEDSA-N 0 3 297.427 3.972 10 0 CHAEHN CCOc1ccc([C@@H](N)c2ccc(C)cc2)cc1OCC ZINC000008324977 170331523 /nfs/dbraw/zinc/33/15/23/170331523.db2.gz OQJBHOGERGLGIZ-SFHVURJKSA-N 0 3 285.387 3.841 10 0 CHAEHN C[C@@H]1C[C@H](C)CN(Cc2ccc(Br)cc2)C1 ZINC000009997123 170393327 /nfs/dbraw/zinc/39/33/27/170393327.db2.gz WEBLDUWBROMTIX-TXEJJXNPSA-N 0 3 282.225 3.927 10 0 CHAEHN COc1cc(OC)c2c(c1)[C@@H](c1ccc(C)c(C)c1)NCC2 ZINC000011599504 170425073 /nfs/dbraw/zinc/42/50/73/170425073.db2.gz OGBHIIRMCYVMSD-LJQANCHMSA-N 0 3 297.398 3.556 10 0 CHAEHN CCOc1ccc([C@@H](N)c2ccc(F)cc2)cc1OCC ZINC000019421233 170792473 /nfs/dbraw/zinc/79/24/73/170792473.db2.gz FELWSVGFDYJOBB-KRWDZBQOSA-N 0 3 289.350 3.671 10 0 CHAEHN N[C@H](c1ccc(Br)cc1)c1ccc(F)c(F)c1 ZINC000019485648 170812221 /nfs/dbraw/zinc/81/22/21/170812221.db2.gz AUOOCVMWDCYROT-CYBMUJFWSA-N 0 3 298.130 3.775 10 0 CHAEHN C[C@H](N)c1c(F)cccc1OC1CCC(C)CC1 ZINC000019873340 170903348 /nfs/dbraw/zinc/90/33/48/170903348.db2.gz VTDCUVNVDGSJGB-CXQJBGSLSA-N 0 3 251.345 3.803 10 0 CHAEHN COc1ccc([C@@H](N)c2c(C)cc(C)cc2C)c(C)c1 ZINC000019972141 170956729 /nfs/dbraw/zinc/95/67/29/170956729.db2.gz SUIOROLQIAMHOY-GOSISDBHSA-N 0 3 269.388 3.977 10 0 CHAEHN CN(C)Cc1ccccc1CNCc1ccccc1Cl ZINC000020128548 171015660 /nfs/dbraw/zinc/01/56/60/171015660.db2.gz JOWDXFYHZVRXFB-UHFFFAOYSA-N 0 3 288.822 3.691 10 0 CHAEHN C[C@H](N[C@@H](CN(C)C)c1ccccc1)c1ccc(F)cc1 ZINC000020129359 171016928 /nfs/dbraw/zinc/01/69/28/171016928.db2.gz PLJNDDORYZAITQ-KSSFIOAISA-N 0 3 286.394 3.779 10 0 CHAEHN C=COCCCN[C@@H](C)c1ccccc1Br ZINC000020197298 171061149 /nfs/dbraw/zinc/06/11/49/171061149.db2.gz WLBLMPVCTFQKPG-NSHDSACASA-N 0 3 284.197 3.650 10 0 CHAEHN CN(Cc1cccc(Cl)c1)[C@@H](CN)c1ccccc1F ZINC000020225608 171088081 /nfs/dbraw/zinc/08/80/81/171088081.db2.gz WKVXITITFPQQED-INIZCTEOSA-N 0 3 292.785 3.611 10 0 CHAEHN Cc1cccc([C@H](CN)N(C)Cc2ccc(Cl)cc2)c1 ZINC000020225500 171088917 /nfs/dbraw/zinc/08/89/17/171088917.db2.gz VFRYCFKELJPSQR-KRWDZBQOSA-N 0 3 288.822 3.780 10 0 CHAEHN Cc1cc(C)cc([C@@H](N)c2ccc3c(c2)CCC3)c1 ZINC000020384562 171174896 /nfs/dbraw/zinc/17/48/96/171174896.db2.gz QQIJHQBYRXZCBE-SFHVURJKSA-N 0 3 251.373 3.840 10 0 CHAEHN N[C@@H](Cc1c(F)cccc1Cl)c1ccc(F)cc1F ZINC000020425917 171191826 /nfs/dbraw/zinc/19/18/26/171191826.db2.gz CTWPWIBZQPVKKB-AWEZNQCLSA-N 0 3 285.696 4.000 10 0 CHAEHN N[C@H](Cc1nc2ccccc2o1)c1cccc(Cl)c1 ZINC000020428052 171193312 /nfs/dbraw/zinc/19/33/12/171193312.db2.gz CZFUOTFRSRKANO-GFCCVEGCSA-N 0 3 272.735 3.724 10 0 CHAEHN N[C@H](Cc1ccccn1)c1ccc(Cl)cc1Cl ZINC000020429146 171193986 /nfs/dbraw/zinc/19/39/86/171193986.db2.gz LZVXCECUQKUXDU-CYBMUJFWSA-N 0 3 267.159 3.631 10 0 CHAEHN NCc1cc(Br)ccc1OCC1CCCCC1 ZINC000020483440 171223729 /nfs/dbraw/zinc/22/37/29/171223729.db2.gz DDZLHUQQNOKBNG-UHFFFAOYSA-N 0 3 298.224 3.867 10 0 CHAEHN COc1ccc([C@@H](N)c2ccc(C)c(F)c2)cc1Cl ZINC000020521860 171234983 /nfs/dbraw/zinc/23/49/83/171234983.db2.gz JHPZGXAYBYEWLA-OAHLLOKOSA-N 0 3 279.742 3.844 10 0 CHAEHN Cc1cccc(OC[C@@H](N)c2ccc(C)c(C)c2)c1 ZINC000020553976 171249151 /nfs/dbraw/zinc/24/91/51/171249151.db2.gz AXEVKNYJGFFJRE-QGZVFWFLSA-N 0 3 255.361 3.691 10 0 CHAEHN Nc1cnccc1Nc1cc(Cl)cc(Cl)c1 ZINC000020585283 171258471 /nfs/dbraw/zinc/25/84/71/171258471.db2.gz KVBDGACXSLMMRH-UHFFFAOYSA-N 0 3 254.120 3.714 10 0 CHAEHN COc1ccc(Br)cc1[C@@H](N)c1ccccc1 ZINC000020586760 171259573 /nfs/dbraw/zinc/25/95/73/171259573.db2.gz BCNFIDVXWOVGOK-AWEZNQCLSA-N 0 3 292.176 3.506 10 0 CHAEHN COc1ccc(Br)cc1[C@H](N)CC(C)C ZINC000020586776 171259641 /nfs/dbraw/zinc/25/96/41/171259641.db2.gz QEOIVFOSWCJZHW-LLVKDONJSA-N 0 3 272.186 3.504 10 0 CHAEHN CCCOc1ccc(Cl)cc1CNCC(C)C ZINC000020928840 171280553 /nfs/dbraw/zinc/28/05/53/171280553.db2.gz DMZKDJPGXANORL-UHFFFAOYSA-N 0 3 255.789 3.874 10 0 CHAEHN CC[C@H](Oc1ccc(C)cc1)[C@@H](N)c1ccccc1 ZINC000021013111 171288546 /nfs/dbraw/zinc/28/85/46/171288546.db2.gz YFXWRBCYRWMRCS-IRXDYDNUSA-N 0 3 255.361 3.852 10 0 CHAEHN Cc1ccc(O[C@@H](C)[C@@H](N)c2ccc(C)cc2)cc1 ZINC000021014664 171289172 /nfs/dbraw/zinc/28/91/72/171289172.db2.gz KKPOKZMJHXQPTQ-WMLDXEAASA-N 0 3 255.361 3.771 10 0 CHAEHN CC[C@@H](Oc1cccc(C)c1)[C@@H](N)c1ccccc1 ZINC000021518655 171315064 /nfs/dbraw/zinc/31/50/64/171315064.db2.gz NFTGADABOBMIAZ-SJORKVTESA-N 0 3 255.361 3.852 10 0 CHAEHN CCOc1ccc(OC[C@@H](N)c2ccc(CC)cc2)cc1 ZINC000021799966 171325911 /nfs/dbraw/zinc/32/59/11/171325911.db2.gz REHYMRRNUGAYAG-GOSISDBHSA-N 0 3 285.387 3.727 10 0 CHAEHN Cc1ccc([C@H](N)COc2ccccc2C)cc1C ZINC000022148749 171357617 /nfs/dbraw/zinc/35/76/17/171357617.db2.gz YKVYDLLXEWMHGR-MRXNPFEDSA-N 0 3 255.361 3.691 10 0 CHAEHN CCCCCNCC(=O)Nc1c(Cl)cccc1Cl ZINC000035159803 172017602 /nfs/dbraw/zinc/01/76/02/172017602.db2.gz XWERYZIMQCPVDI-UHFFFAOYSA-N 0 3 289.206 3.712 10 0 CHAEHN N[C@@H](c1cc2c(s1)CCC2)c1ccc2c(c1)CCC2 ZINC000035381293 172163765 /nfs/dbraw/zinc/16/37/65/172163765.db2.gz YNYFEHCQEBSUJW-QGZVFWFLSA-N 0 3 269.413 3.774 10 0 CHAEHN COc1ccc([C@H](N)c2ccc(F)cc2Cl)cc1F ZINC000035424186 172192572 /nfs/dbraw/zinc/19/25/72/172192572.db2.gz IEDJFMXHELKUFO-AWEZNQCLSA-N 0 3 283.705 3.675 10 0 CHAEHN CCCC[C@H](NC)c1cc(Br)ccc1OC ZINC000035456093 172206852 /nfs/dbraw/zinc/20/68/52/172206852.db2.gz FKESHYRZYFKOOL-LBPRGKRZSA-N 0 3 286.213 3.908 10 0 CHAEHN CN[C@H](c1ccc(C)s1)c1ccc(F)cc1F ZINC000035459115 172208054 /nfs/dbraw/zinc/20/80/54/172208054.db2.gz AGJKPAAJAFRAEN-ZDUSSCGKSA-N 0 3 253.317 3.644 10 0 CHAEHN CCc1ccc([C@@H](NC)c2ccc(OC)cc2)s1 ZINC000035461080 172210375 /nfs/dbraw/zinc/21/03/75/172210375.db2.gz HFBSEYYTSVJKBY-HNNXBMFYSA-N 0 3 261.390 3.628 10 0 CHAEHN CN[C@H](c1ccc(OC)cc1)c1cccc(Cl)c1 ZINC000035465908 172212908 /nfs/dbraw/zinc/21/29/08/172212908.db2.gz PLBCFERBMJIPBN-OAHLLOKOSA-N 0 3 261.752 3.657 10 0 CHAEHN CN[C@@H](c1cc2c(s1)CCC2)c1ccc(C)cc1 ZINC000035466041 172213897 /nfs/dbraw/zinc/21/38/97/172213897.db2.gz ZDMVTRKSRFVPEH-MRXNPFEDSA-N 0 3 257.402 3.854 10 0 CHAEHN CCCCC[C@@H](NC)c1cc(OC)ccc1OC ZINC000035466656 172214852 /nfs/dbraw/zinc/21/48/52/172214852.db2.gz PCHXTIJIKSZBDV-CQSZACIVSA-N 0 3 251.370 3.545 10 0 CHAEHN CN[C@@H](c1ccc(C)cc1)c1ccc(OC)cc1C ZINC000035468536 172217671 /nfs/dbraw/zinc/21/76/71/172217671.db2.gz NMLYHXNMUMVILB-KRWDZBQOSA-N 0 3 255.361 3.621 10 0 CHAEHN CC[C@@H](C)[C@@H](NC)c1cc(OC)c(OC)cc1Cl ZINC000035501252 172235991 /nfs/dbraw/zinc/23/59/91/172235991.db2.gz GHLWKVMFBNNIIF-YMTOWFKASA-N 0 3 271.788 3.664 10 0 CHAEHN CN[C@H](c1sccc1C)c1ccc2c(c1)C[C@H](C)O2 ZINC000035504382 172238294 /nfs/dbraw/zinc/23/82/94/172238294.db2.gz DIUBXBPLLQZGAH-NHYWBVRUSA-N 0 3 273.401 3.689 10 0 CHAEHN CCN[C@@H](c1ccc(C)s1)c1cccc(OC)c1 ZINC000035510255 172241690 /nfs/dbraw/zinc/24/16/90/172241690.db2.gz XEYOSYNXCDZXQX-OAHLLOKOSA-N 0 3 261.390 3.764 10 0 CHAEHN CCN[C@H](c1cc(C)oc1C)c1ccc(OC)cc1 ZINC000035540716 172247271 /nfs/dbraw/zinc/24/72/71/172247271.db2.gz YESMJSYWTJTAPB-INIZCTEOSA-N 0 3 259.349 3.604 10 0 CHAEHN CCN[C@@H](c1cc(C)oc1C)c1ccc(OC)cc1 ZINC000035540717 172247360 /nfs/dbraw/zinc/24/73/60/172247360.db2.gz YESMJSYWTJTAPB-MRXNPFEDSA-N 0 3 259.349 3.604 10 0 CHAEHN CCN[C@H](c1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000035541045 172248181 /nfs/dbraw/zinc/24/81/81/172248181.db2.gz WOZRESBHVZARCN-MRXNPFEDSA-N 0 3 261.315 3.972 10 0 CHAEHN CCN[C@H](c1ccsc1)c1ccc(OCC)cc1 ZINC000035541193 172248786 /nfs/dbraw/zinc/24/87/86/172248786.db2.gz HMYLDTRDMWFLTP-HNNXBMFYSA-N 0 3 261.390 3.846 10 0 CHAEHN CCN[C@H](c1ccccc1C)c1ccc(F)cc1F ZINC000035547587 172255922 /nfs/dbraw/zinc/25/59/22/172255922.db2.gz FMZRHRUOJXSTPD-MRXNPFEDSA-N 0 3 261.315 3.972 10 0 CHAEHN CCCc1ccc([C@H](NCC)c2cccnc2)cc1 ZINC000035550381 172258291 /nfs/dbraw/zinc/25/82/91/172258291.db2.gz QWXVUOYHTHODPL-KRWDZBQOSA-N 0 3 254.377 3.733 10 0 CHAEHN CCCN[C@H](c1ccc(Cl)s1)[C@H]1CCCO1 ZINC000035583673 172282414 /nfs/dbraw/zinc/28/24/14/172282414.db2.gz GXIUZCOIDHSDDZ-SKDRFNHKSA-N 0 3 259.802 3.621 10 0 CHAEHN CCCN[C@H](Cc1ncc[nH]1)c1cc(Cl)ccc1Cl ZINC000035586670 172285670 /nfs/dbraw/zinc/28/56/70/172285670.db2.gz IIYJLGGIMQUUBI-CYBMUJFWSA-N 0 3 298.217 4.000 10 0 CHAEHN CCCN[C@@H](Cc1ncc[nH]1)c1cccc(Cl)c1Cl ZINC000035586653 172285901 /nfs/dbraw/zinc/28/59/01/172285901.db2.gz MEXBNJHZTPDWEX-LBPRGKRZSA-N 0 3 298.217 4.000 10 0 CHAEHN NCc1ccnc(Oc2ccc(Cl)cc2Cl)c1 ZINC000035719828 172374320 /nfs/dbraw/zinc/37/43/20/172374320.db2.gz ZXBPDJQUJAOFEF-UHFFFAOYSA-N 0 3 269.131 3.639 10 0 CHAEHN CC(C)c1ccc(Sc2ncccc2CN)cc1 ZINC000035720087 172375032 /nfs/dbraw/zinc/37/50/32/172375032.db2.gz YJJBZUSBGSXTCG-UHFFFAOYSA-N 0 3 258.390 3.815 10 0 CHAEHN CC[C@H](C)CN(C)[C@@H](CN)c1ccc(Cl)cc1Cl ZINC000037172649 173007149 /nfs/dbraw/zinc/00/71/49/173007149.db2.gz ALSUTLJUNVAUTH-HZMBPMFUSA-N 0 3 289.250 3.971 10 0 CHAEHN CCCN(CCC)c1ccc(F)cc1CNCC ZINC000037236129 173054488 /nfs/dbraw/zinc/05/44/88/173054488.db2.gz JVZMCHGJIVPADO-UHFFFAOYSA-N 0 3 252.377 3.562 10 0 CHAEHN CCCn1c2ccc(C)cc2nc1[C@@H](N)[C@H](C)CC ZINC000037438363 173208491 /nfs/dbraw/zinc/20/84/91/173208491.db2.gz RMSLVSSUFUKPNH-DOMZBBRYSA-N 0 3 259.397 3.801 10 0 CHAEHN Cc1cccc([C@H](N)c2cccc(Br)c2)c1 ZINC000037466570 173226897 /nfs/dbraw/zinc/22/68/97/173226897.db2.gz OUMWHMYLUPHGKW-AWEZNQCLSA-N 0 3 276.177 3.806 10 0 CHAEHN CCOc1ccc(-c2ccc(F)c(CNC)c2)cc1 ZINC000038070383 174081627 /nfs/dbraw/zinc/08/16/27/174081627.db2.gz XAMNJKGNGGTSRB-UHFFFAOYSA-N 0 3 259.324 3.611 10 0 CHAEHN CN[C@@H](Cc1ccccc1F)c1cc(F)cc(F)c1 ZINC000038135603 174133148 /nfs/dbraw/zinc/13/31/48/174133148.db2.gz SUNGSPUICORGIU-HNNXBMFYSA-N 0 3 265.278 3.607 10 0 CHAEHN Cc1ccc(CN[C@H](C)c2sc(C)nc2C)s1 ZINC000040445845 174265242 /nfs/dbraw/zinc/26/52/42/174265242.db2.gz XIAMBUCNOKCGEK-SECBINFHSA-N 0 3 266.435 3.981 10 0 CHAEHN C[C@H](O[C@@H](CN)c1ccccc1F)c1ccccc1 ZINC000043047816 174957515 /nfs/dbraw/zinc/95/75/15/174957515.db2.gz TWVHGBGTYNJPBO-LRDDRELGSA-N 0 3 259.324 3.603 10 0 CHAEHN NC[C@@H](Oc1cccc(F)c1)c1ccccc1Cl ZINC000043087210 174962655 /nfs/dbraw/zinc/96/26/55/174962655.db2.gz USEOFNPLNZNIPR-CQSZACIVSA-N 0 3 265.715 3.558 10 0 CHAEHN NC[C@H](OCc1cccs1)c1ccccc1Cl ZINC000043088772 174963427 /nfs/dbraw/zinc/96/34/27/174963427.db2.gz QMWOAFYQDUXKEA-ZDUSSCGKSA-N 0 3 267.781 3.618 10 0 CHAEHN Cc1nc(-c2ccccc2C)sc1CNC1CC1 ZINC000045205720 175327955 /nfs/dbraw/zinc/32/79/55/175327955.db2.gz NPMXNYHUTKWRQC-UHFFFAOYSA-N 0 3 258.390 3.679 10 0 CHAEHN CNCc1ccc(Oc2cc(F)ccc2F)c(F)c1 ZINC000071168087 176049396 /nfs/dbraw/zinc/04/93/96/176049396.db2.gz SUIHNUSWUOHXOK-UHFFFAOYSA-N 0 3 267.250 3.616 10 0 CHAEHN CCN[C@H](C)c1cnn(Cc2cccc(Cl)c2)c1C ZINC000071193864 176076020 /nfs/dbraw/zinc/07/60/20/176076020.db2.gz FSCMQCQAZHAVKX-LLVKDONJSA-N 0 3 277.799 3.564 10 0 CHAEHN C[C@@H](c1cccs1)N1Cc2ccc(F)cc2C1=N ZINC000071268770 176102125 /nfs/dbraw/zinc/10/21/25/176102125.db2.gz WZZSOIWEIZGHEM-VIFPVBQESA-N 0 3 260.337 3.789 10 0 CHAEHN CCc1ccc(COc2ccc(C)cc2CN)cc1 ZINC000071403227 176154615 /nfs/dbraw/zinc/15/46/15/176154615.db2.gz NCMOFDSRYWCETM-UHFFFAOYSA-N 0 3 255.361 3.595 10 0 CHAEHN CCNCc1cc(C)ccc1OCc1cccs1 ZINC000071406021 176155936 /nfs/dbraw/zinc/15/59/36/176155936.db2.gz PXOWWVXYXYWGFE-UHFFFAOYSA-N 0 3 261.390 3.745 10 0 CHAEHN COc1cccc([C@@H]2NCC(C)(C)c3cc(OC)ccc32)c1 ZINC000071652000 176241764 /nfs/dbraw/zinc/24/17/64/176241764.db2.gz MGJHTBHUSJOSDG-SFHVURJKSA-N 0 3 297.398 3.674 10 0 CHAEHN Cc1ccccc1[C@H](NC[C@H](C)CCO)c1ccccc1 ZINC000093248989 260273398 /nfs/dbraw/zinc/27/33/98/260273398.db2.gz TUYRUXJHISYQBL-DNVCBOLYSA-N 0 3 283.415 3.693 10 0 CHAEHN COC[C@H](N[C@@H]1CC(C)(C)Oc2ccccc21)C(C)C ZINC000128972966 260380310 /nfs/dbraw/zinc/38/03/10/260380310.db2.gz LUQPBNAIWDRGRK-CABCVRRESA-N 0 3 277.408 3.549 10 0 CHAEHN CCCCN(CCCC)C(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000130124718 260394051 /nfs/dbraw/zinc/39/40/51/260394051.db2.gz CJUXXFGANMMKGK-WBVHZDCISA-N 0 3 290.451 3.751 10 0 CHAEHN CCc1ccc(CN[C@H](C)c2cncc(F)c2)s1 ZINC000156294824 261119221 /nfs/dbraw/zinc/11/92/21/261119221.db2.gz GGRPPPYTFUMAHC-SNVBAGLBSA-N 0 3 264.369 3.695 10 0 CHAEHN CCO[C@H]1C[C@@H](N(C)Cc2cncc(C)c2)C12CCCC2 ZINC000189956701 264338035 /nfs/dbraw/zinc/33/80/35/264338035.db2.gz ZMNVTASBGXTFSF-SJORKVTESA-N 0 3 288.435 3.560 10 0 CHAEHN C[C@H]1CC[C@H](NCc2cncs2)c2ccccc21 ZINC000132251315 264386694 /nfs/dbraw/zinc/38/66/94/264386694.db2.gz OQLZCTFQFKKMQT-NHYWBVRUSA-N 0 3 258.390 3.871 10 0 CHAEHN CC[C@H](NCc1cn2cc(Cl)ccc2n1)C(C)C ZINC000096543858 265373516 /nfs/dbraw/zinc/37/35/16/265373516.db2.gz PYZGVDYVBYITMZ-ZDUSSCGKSA-N 0 3 265.788 3.512 10 0 CHAEHN CCC[C@@H](N[C@@H](C)c1ncc(C)o1)C1CCCC1 ZINC000313421054 327128549 /nfs/dbraw/zinc/12/85/49/327128549.db2.gz DKOBYAZYYVWDGE-GXTWGEPZSA-N 0 3 250.386 3.993 10 0 CHAEHN Cc1c(CN[C@@H](CC(C)C)c2ccccc2)cnn1C ZINC000093649665 327132718 /nfs/dbraw/zinc/13/27/18/327132718.db2.gz RADOSGQJPMAKTE-KRWDZBQOSA-N 0 3 271.408 3.606 10 0 CHAEHN Cc1cc(C)c(CNC[C@@H]2COc3ccccc3O2)cc1C ZINC000104864167 328810558 /nfs/dbraw/zinc/81/05/58/328810558.db2.gz CRVLCOZGUHICGJ-QGZVFWFLSA-N 0 3 297.398 3.541 10 0 CHAEHN CCc1ccc(CN2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000172247996 329084047 /nfs/dbraw/zinc/08/40/47/329084047.db2.gz DEVFOIAOEMHCMV-GOSISDBHSA-N 0 3 283.419 3.591 10 0 CHAEHN CC(C)(C)OC(=O)CCCN1CCC[C@@H]1c1ccco1 ZINC000181889280 329238374 /nfs/dbraw/zinc/23/83/74/329238374.db2.gz HZORSAGPUDEGPM-CYBMUJFWSA-N 0 3 279.380 3.538 10 0 CHAEHN CSc1ccc([C@H](C)N[C@H](C)[C@H]2CCCO2)cc1F ZINC000246952048 329873208 /nfs/dbraw/zinc/87/32/08/329873208.db2.gz IEBGEEGILPPENN-MISXGVKJSA-N 0 3 283.412 3.766 10 0 CHAEHN C[C@@H](N[C@@H](C)c1csc(Cl)c1)[C@H]1CCCO1 ZINC000248722824 329897813 /nfs/dbraw/zinc/89/78/13/329897813.db2.gz TYFXCNRYOJXNHF-IQJOONFLSA-N 0 3 259.802 3.620 10 0 CHAEHN Cc1ccc([C@H](NCC(C)(C)O)c2ccccc2)c(C)c1 ZINC000087010672 329947034 /nfs/dbraw/zinc/94/70/34/329947034.db2.gz HWTAUIGNMFFKCP-GOSISDBHSA-N 0 3 283.415 3.753 10 0 CHAEHN C[C@H](NC1CCN(c2cccs2)CC1)c1nccs1 ZINC000091735758 330402610 /nfs/dbraw/zinc/40/26/10/330402610.db2.gz YBSNEUNCECSXJD-NSHDSACASA-N 0 3 293.461 3.524 10 0 CHAEHN Cc1cc2c(cc1C)[C@H](N[C@H](C)[C@H]1CCCO1)CCS2 ZINC000249876786 334341807 /nfs/dbraw/zinc/34/18/07/334341807.db2.gz HAIXMMKOUORHEU-FVQBIDKESA-N 0 3 291.460 3.997 10 0 CHAEHN Clc1ccc(CCN[C@H]2COc3ccccc32)cc1 ZINC000308463464 333032122 /nfs/dbraw/zinc/03/21/22/333032122.db2.gz UKTOMLJYVDAIAM-HNNXBMFYSA-N 0 3 273.763 3.606 10 0 CHAEHN C[C@@H]1C[C@@H](N[C@@H](CCO)c2ccco2)CC(C)(C)C1 ZINC000186561167 333162782 /nfs/dbraw/zinc/16/27/82/333162782.db2.gz RYLQSWXBWPNYTE-MCIONIFRSA-N 0 3 265.397 3.508 10 0 CHAEHN C[C@@H](N[C@@H](C)c1cccc(Cl)c1F)[C@@H]1CCCO1 ZINC000187496192 333171749 /nfs/dbraw/zinc/17/17/49/333171749.db2.gz NRMKFGSKRGNJHI-CWSCBRNRSA-N 0 3 271.763 3.697 10 0 CHAEHN Cc1ccc([C@@H](C)NCc2cnn(C(C)C)c2)c(C)c1 ZINC000226241745 333254757 /nfs/dbraw/zinc/25/47/57/333254757.db2.gz OPJSNIFJMCGMJM-OAHLLOKOSA-N 0 3 271.408 3.932 10 0 CHAEHN OC[C@@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1Cl ZINC000229195338 333301577 /nfs/dbraw/zinc/30/15/77/333301577.db2.gz BFIOSESBYIEHNO-HZMBPMFUSA-N 0 3 288.218 3.634 10 0 CHAEHN CCC[C@@H]1C[C@H]1NCc1cccc(F)c1Br ZINC000233307364 333351156 /nfs/dbraw/zinc/35/11/56/333351156.db2.gz KMUMOIVRAMEJEZ-BXKDBHETSA-N 0 3 286.188 3.866 10 0 CHAEHN Fc1ccc(C2CC(N[C@@H]3COc4ccccc43)C2)cc1 ZINC000070528785 333814862 /nfs/dbraw/zinc/81/48/62/333814862.db2.gz ANJMKIIHIQRBSN-PUJMQQBBSA-N 0 3 283.346 3.795 10 0 CHAEHN Cc1cnn(CCNC2c3ccccc3-c3ccccc32)c1 ZINC000137159794 334170909 /nfs/dbraw/zinc/17/09/09/334170909.db2.gz PACQJIHLRZDNIN-UHFFFAOYSA-N 0 3 289.382 3.551 10 0 CHAEHN CC[C@H]1CC[C@H](Nc2cccc(OCCN(C)C)c2)C1 ZINC000080453033 334171654 /nfs/dbraw/zinc/17/16/54/334171654.db2.gz ZEEDCEQUQHQMOS-HOCLYGCPSA-N 0 3 276.424 3.618 10 0 CHAEHN CCC(CC)CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000245915107 334223764 /nfs/dbraw/zinc/22/37/64/334223764.db2.gz NBPOECXRJFSVKV-CJNGLKHVSA-N 0 3 283.362 3.509 10 0 CHAEHN CCCCN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246597240 334265077 /nfs/dbraw/zinc/26/50/77/334265077.db2.gz GZIBBUCRSFOCII-KBPBESRZSA-N 0 3 287.325 3.613 10 0 CHAEHN C[C@H](N[C@@H]1CCCC[C@H]1CO)c1ccccc1Cl ZINC000247326138 334279046 /nfs/dbraw/zinc/27/90/46/334279046.db2.gz LYKYDQQBPHHLSU-SLEUVZQESA-N 0 3 267.800 3.542 10 0 CHAEHN C[C@H](c1ccc(F)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247927194 334291415 /nfs/dbraw/zinc/29/14/15/334291415.db2.gz BSKHSUUHUOTDKH-UNEWFSDZSA-N 0 3 277.383 3.514 10 0 CHAEHN C[C@H](N[C@H]1CCCC[C@H]1CO)c1ccc(F)cc1Cl ZINC000248201197 334297009 /nfs/dbraw/zinc/29/70/09/334297009.db2.gz YUFQFLAVTLJQEX-PGUXBMHVSA-N 0 3 285.790 3.681 10 0 CHAEHN C[C@H](N[C@@H](C)[C@@H]1CCCCO1)c1ccc(F)c(F)c1 ZINC000271986416 334748881 /nfs/dbraw/zinc/74/88/81/334748881.db2.gz YHADTMXWVXTZCX-PGUXBMHVSA-N 0 3 269.335 3.573 10 0 CHAEHN CC(C)CNCc1nc2c(s1)CCc1sccc1-2 ZINC000061800343 519749051 /nfs/dbraw/zinc/74/90/51/519749051.db2.gz GFLPXCLLPDLHPZ-UHFFFAOYSA-N 0 3 278.446 3.716 10 0 CHAEHN CCNCc1oc(COc2ccc(C)cc2)cc1C ZINC000052649770 520030175 /nfs/dbraw/zinc/03/01/75/520030175.db2.gz MRAIPJWDEHUPMW-UHFFFAOYSA-N 0 3 259.349 3.585 10 0 CHAEHN CCN(Cc1cc2ccccc2nc1NC)C(C)C ZINC000050812815 521296751 /nfs/dbraw/zinc/29/67/51/521296751.db2.gz OYCKHYAOPLYUJU-UHFFFAOYSA-N 0 3 257.381 3.507 10 0 CHAEHN CNCc1ccoc1COc1c(C)cc(Cl)cc1C ZINC000052651351 522143827 /nfs/dbraw/zinc/14/38/27/522143827.db2.gz LCDFHJPYQGUPRL-UHFFFAOYSA-N 0 3 279.767 3.848 10 0 CHAEHN CC(C)NCc1c(Cl)n(C(C)(C)C)nc1C(F)(F)F ZINC000057354241 519726237 /nfs/dbraw/zinc/72/62/37/519726237.db2.gz AQPQXQXAJNKFHM-UHFFFAOYSA-N 0 3 297.752 3.808 10 0 CHAEHN CC(C)N[C@@H](c1nc(C(C)C)cs1)C1CCOCC1 ZINC000052179518 519735294 /nfs/dbraw/zinc/73/52/94/519735294.db2.gz IDGSXMPWIQMLPC-CQSZACIVSA-N 0 3 282.453 3.732 10 0 CHAEHN CC(C)CNCc1ccc(CO[C@H](C)CC(C)C)o1 ZINC000052603351 519747122 /nfs/dbraw/zinc/74/71/22/519747122.db2.gz ZFXUVUGCEUVGKV-CQSZACIVSA-N 0 3 267.413 3.976 10 0 CHAEHN CC(C)CNCc1nc2cccc(Cl)c2n1C1CC1 ZINC000062742479 519749016 /nfs/dbraw/zinc/74/90/16/519749016.db2.gz VBWDBTWAEWAYGJ-UHFFFAOYSA-N 0 3 277.799 3.770 10 0 CHAEHN CC(C)c1ccc([C@@H](O)[C@@H](N)c2ccccc2)cc1 ZINC000054681755 519839289 /nfs/dbraw/zinc/83/92/89/519839289.db2.gz DQWYSYCSWKYRHA-DLBZAZTESA-N 0 3 255.361 3.543 10 0 CHAEHN CCCC1CCN([C@@H](CN)c2cccc(Cl)c2)CC1 ZINC000050892968 519902553 /nfs/dbraw/zinc/90/25/53/519902553.db2.gz LITSRCTTWXGBMG-INIZCTEOSA-N 0 3 280.843 3.852 10 0 CHAEHN CCCC1CCN([C@@H](CN)c2ccc(Cl)s2)CC1 ZINC000050892954 519902831 /nfs/dbraw/zinc/90/28/31/519902831.db2.gz XKRYARZHGSJCAP-LBPRGKRZSA-N 0 3 286.872 3.913 10 0 CHAEHN CCNCc1cnc(-c2ccc(F)c(Cl)c2)s1 ZINC000062792766 520015816 /nfs/dbraw/zinc/01/58/16/520015816.db2.gz WVALJWXQJHLAES-UHFFFAOYSA-N 0 3 270.760 3.712 10 0 CHAEHN CCCCCN(c1nc(CC)c(CN)s1)C(C)C ZINC000055000684 520177379 /nfs/dbraw/zinc/17/73/79/520177379.db2.gz BNPKXYPXAJTVCJ-UHFFFAOYSA-N 0 3 269.458 3.569 10 0 CHAEHN CCN[C@H](c1ccc2c(c1)CCO2)C1=CCCCC1 ZINC000050892196 520209396 /nfs/dbraw/zinc/20/93/96/520209396.db2.gz HLUYHHUGYDFVHN-KRWDZBQOSA-N 0 3 257.377 3.773 10 0 CHAEHN CCC[C@@H](C)COc1cc(F)ccc1[C@H](C)NC ZINC000062746276 520632402 /nfs/dbraw/zinc/63/24/02/520632402.db2.gz INJVIIIVVYJVBL-NEPJUHHUSA-N 0 3 253.361 3.921 10 0 CHAEHN CCC(C)(C)OCc1csc(CNC(C)(C)C)n1 ZINC000052630422 521359320 /nfs/dbraw/zinc/35/93/20/521359320.db2.gz RQXFLRRHGCZYOY-UHFFFAOYSA-N 0 3 270.442 3.736 10 0 CHAEHN CCN(c1cc(Cl)ccc1CN)C1CCCC1 ZINC000062786800 521478386 /nfs/dbraw/zinc/47/83/86/521478386.db2.gz LXXQVYCSCFZUTH-UHFFFAOYSA-N 0 3 252.789 3.568 10 0 CHAEHN CCCN(CC(F)(F)F)c1ccc(Cl)cc1CN ZINC000052857589 521587576 /nfs/dbraw/zinc/58/75/76/521587576.db2.gz YMDFCSYDKIUYGF-UHFFFAOYSA-N 0 3 280.721 3.577 10 0 CHAEHN CN[C@@H](C)c1ccccc1OCCc1cccs1 ZINC000049585798 522336405 /nfs/dbraw/zinc/33/64/05/522336405.db2.gz FMKISAYLXULSTJ-LBPRGKRZSA-N 0 3 261.390 3.650 10 0 CHAEHN CN[C@@H](Cc1cccc(C)c1)c1cc(C)ccc1F ZINC000052984106 522362010 /nfs/dbraw/zinc/36/20/10/522362010.db2.gz RHHWLWQPOYMFIU-KRWDZBQOSA-N 0 3 257.352 3.946 10 0 CHAEHN CN[C@@H](Cc1ccccc1F)c1cc(C)ccc1F ZINC000052984046 522362437 /nfs/dbraw/zinc/36/24/37/522362437.db2.gz YTIWBQCUVRLOIO-INIZCTEOSA-N 0 3 261.315 3.776 10 0 CHAEHN CN[C@@H](c1ccc(F)c(F)c1)c1ccc(F)cc1C ZINC000055223387 522368007 /nfs/dbraw/zinc/36/80/07/522368007.db2.gz SJWLYHUUHUGXQG-HNNXBMFYSA-N 0 3 265.278 3.721 10 0 CHAEHN CN[C@H](Cc1cccc(C)c1)c1cc(C)ccc1F ZINC000052984108 522473035 /nfs/dbraw/zinc/47/30/35/522473035.db2.gz RHHWLWQPOYMFIU-QGZVFWFLSA-N 0 3 257.352 3.946 10 0 CHAEHN CN[C@H](c1cc(C)sc1C)c1ccc(OC)c(F)c1 ZINC000061668900 522478425 /nfs/dbraw/zinc/47/84/25/522478425.db2.gz BTLMSXPJIDQMJM-HNNXBMFYSA-N 0 3 279.380 3.821 10 0 CHAEHN COc1cccc([C@H](N)c2ccc(Cl)cc2F)c1 ZINC000062785931 524160307 /nfs/dbraw/zinc/16/03/07/524160307.db2.gz JZOBMQYGYYRJFC-AWEZNQCLSA-N 0 3 265.715 3.536 10 0 CHAEHN C[C@@H]1CCC[C@@H](N(C)c2cc(Cl)ccc2CN)C1 ZINC000062786921 524302212 /nfs/dbraw/zinc/30/22/12/524302212.db2.gz FDDILKLMXSRMBB-BXUZGUMPSA-N 0 3 266.816 3.814 10 0 CHAEHN C[C@@H]1CCC[C@H](n2c(N)nc3ccc(F)c(F)c32)C1 ZINC000053169858 524413113 /nfs/dbraw/zinc/41/31/13/524413113.db2.gz OCYZCFFZYJRIAC-BDAKNGLRSA-N 0 3 265.307 3.648 10 0 CHAEHN Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)CNC2 ZINC000156648825 524900922 /nfs/dbraw/zinc/90/09/22/524900922.db2.gz FZMQEYZOLGTMQP-UHFFFAOYSA-N 0 3 286.762 3.504 10 0 CHAEHN C[C@@H](N)c1c(F)cccc1Oc1cccc(F)c1F ZINC000062615645 525023712 /nfs/dbraw/zinc/02/37/12/525023712.db2.gz LKMNWMIUGBXTKC-MRVPVSSYSA-N 0 3 267.250 3.916 10 0 CHAEHN C[C@H](N[C@H](CN(C)C)c1ccccc1)c1ccsc1 ZINC000050338863 525594991 /nfs/dbraw/zinc/59/49/91/525594991.db2.gz PBWJYGLMXYIGRV-XJKSGUPXSA-N 0 3 274.433 3.702 10 0 CHAEHN Cc1ccc([C@@H](NCCCCO)c2ccccc2)c(C)c1 ZINC000193276716 525771742 /nfs/dbraw/zinc/77/17/42/525771742.db2.gz DOEWXEBJSSRYDI-IBGZPJMESA-N 0 3 283.415 3.755 10 0 CHAEHN Cc1nc(N2CCC(C(C)(C)C)CC2)sc1[C@H](C)N ZINC000054896251 526962741 /nfs/dbraw/zinc/96/27/41/526962741.db2.gz JRELQQMDKAPROX-JTQLQIEISA-N 0 3 281.469 3.734 10 0 CHAEHN N[C@@H](Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000050518348 527334963 /nfs/dbraw/zinc/33/49/63/527334963.db2.gz GZYJZEBXXAGDCI-NSHDSACASA-N 0 3 255.239 3.541 10 0 CHAEHN N[C@@H](Cc1cccc(Cl)c1)c1ccc(F)cc1F ZINC000052944409 527336392 /nfs/dbraw/zinc/33/63/92/527336392.db2.gz IIVRTLVEYMHLEM-AWEZNQCLSA-N 0 3 267.706 3.861 10 0 CHAEHN N[C@@H](Cc1cccc(F)c1F)c1ccc(Cl)cc1F ZINC000062786055 527336670 /nfs/dbraw/zinc/33/66/70/527336670.db2.gz FXIMOVHGTKXMCW-ZDUSSCGKSA-N 0 3 285.696 4.000 10 0 CHAEHN N[C@H](c1ccccc1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000054682009 527392509 /nfs/dbraw/zinc/39/25/09/527392509.db2.gz XCSGDKTTZXDNCM-KGLIPLIRSA-N 0 3 282.170 3.727 10 0 CHAEHN N[C@H](c1ccc(Cl)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000001665990 560183532 /nfs/dbraw/zinc/18/35/32/560183532.db2.gz ILMMSBJXXQIEEM-KGLIPLIRSA-N 0 3 282.170 3.727 10 0 in-vitro CHAEHN Brc1cccc([C@H]2NCCc3sccc32)c1 ZINC000084704911 567033490 /nfs/dbraw/zinc/03/34/90/567033490.db2.gz DUZNXCADQGUBIT-CYBMUJFWSA-N 0 3 294.217 3.746 10 0 CHAEHN CCCNCc1cc(Br)ccc1OC(C)C ZINC000034659798 567888678 /nfs/dbraw/zinc/88/86/78/567888678.db2.gz FREDPWZQNVJKCG-UHFFFAOYSA-N 0 3 286.213 3.736 10 0 CHAEHN c1ccc(CCN2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000001640508 1118764387 /nfs/dbraw/zinc/76/43/87/1118764387.db2.gz OVZMZCMVCPKOQR-UHFFFAOYSA-N 0 3 276.383 3.769 10 0 CHAEHN CC(C)c1nc(N2CCCC[C@H]2C)sc1CNC1CC1 ZINC000082434782 178012334 /nfs/dbraw/zinc/01/23/34/178012334.db2.gz HZWGMCAHAXISEX-GFCCVEGCSA-N 0 3 293.480 3.897 10 0 CHAEHN CCCSCc1nc(C(C)(C)C)c(CN)s1 ZINC000082439789 178017787 /nfs/dbraw/zinc/01/77/87/178017787.db2.gz DQHJSIPIPRHXBT-UHFFFAOYSA-N 0 3 258.456 3.543 10 0 CHAEHN CCCSCc1nc(C(C)(C)C)c(CNC)s1 ZINC000082439764 178017897 /nfs/dbraw/zinc/01/78/97/178017897.db2.gz WZPLNTKOXBFETD-UHFFFAOYSA-N 0 3 272.483 3.803 10 0 CHAEHN CC(C)(C)c1nc(C(C)(C)C)c(CNC2CC2)s1 ZINC000082440058 178018441 /nfs/dbraw/zinc/01/84/41/178018441.db2.gz MKSCRMLYRGEFPY-UHFFFAOYSA-N 0 3 266.454 3.990 10 0 CHAEHN CC(C)(C)c1nc([C@@H]2CCCO2)sc1CNC1CC1 ZINC000082440120 178018458 /nfs/dbraw/zinc/01/84/58/178018458.db2.gz UPAMEIIHIXAKIR-NSHDSACASA-N 0 3 280.437 3.544 10 0 CHAEHN Cc1cccc2c1OCC[C@@H]2NCc1ccccc1 ZINC000082503081 178066525 /nfs/dbraw/zinc/06/65/25/178066525.db2.gz UNBPSRUBGJTIKC-INIZCTEOSA-N 0 3 253.345 3.608 10 0 CHAEHN CCN[C@H](C(=O)c1cc(C(C)C)ccc1C)C(C)C ZINC000096890728 185123673 /nfs/dbraw/zinc/12/36/73/185123673.db2.gz WGMVNAYRLMTQJT-INIZCTEOSA-N 0 3 261.409 3.935 10 0 CHAEHN Cc1ccc(C2OC(=O)C=C2c2ccccc2)cc1 ZINC000005416426 170096464 /nfs/dbraw/zinc/09/64/64/170096464.db2.gz GQUCWIRGHQQDML-QGZVFWFLSA-N 0 3 250.297 3.677 10 0 CHAEHN CCOc1ccc([C@H](N)c2ccc(C)cc2)cc1OCC ZINC000008324973 170331244 /nfs/dbraw/zinc/33/12/44/170331244.db2.gz OQJBHOGERGLGIZ-GOSISDBHSA-N 0 3 285.387 3.841 10 0 CHAEHN COc1ccc([C@@H](N)c2c(C)cc(C)cc2C)cc1OC ZINC000019414262 170790563 /nfs/dbraw/zinc/79/05/63/170790563.db2.gz UZGMJHJJVPTTIM-GOSISDBHSA-N 0 3 285.387 3.677 10 0 CHAEHN Cc1c(Cl)cccc1NC(=O)C[C@H](N)c1ccccc1 ZINC000019425701 170794776 /nfs/dbraw/zinc/79/47/76/170794776.db2.gz INMJNSRUAXFMQL-AWEZNQCLSA-N 0 3 288.778 3.677 10 0 CHAEHN COCCN[C@H](C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000019881509 170908327 /nfs/dbraw/zinc/90/83/27/170908327.db2.gz PFIZQKSMZCOYBP-CYBMUJFWSA-N 0 3 267.372 3.555 10 0 CHAEHN CN(Cc1ccccc1Cl)[C@@H](CN)c1cccs1 ZINC000020225320 171087776 /nfs/dbraw/zinc/08/77/76/171087776.db2.gz MQFJKWFWMAIGPE-ZDUSSCGKSA-N 0 3 280.824 3.533 10 0 CHAEHN Cc1ccccc1[C@H](CN)N(C)Cc1cccc(Cl)c1 ZINC000020225444 171088742 /nfs/dbraw/zinc/08/87/42/171088742.db2.gz WRLTUAAVCUWMPQ-KRWDZBQOSA-N 0 3 288.822 3.780 10 0 CHAEHN CN(Cc1ccc(F)cc1)[C@H](CN)c1ccc(Cl)cc1 ZINC000020226009 171089406 /nfs/dbraw/zinc/08/94/06/171089406.db2.gz ISKSWVUMLKXWQZ-MRXNPFEDSA-N 0 3 292.785 3.611 10 0 CHAEHN Cc1ccccc1CN(C)[C@H](CN)c1cccc(Cl)c1 ZINC000020225949 171090617 /nfs/dbraw/zinc/09/06/17/171090617.db2.gz NLRXISPTBKCXTQ-QGZVFWFLSA-N 0 3 288.822 3.780 10 0 CHAEHN CN(CC1CCCCC1)[C@H](CN)c1c(F)cccc1Cl ZINC000020226293 171091117 /nfs/dbraw/zinc/09/11/17/171091117.db2.gz FFOANPCPPTUHPF-OAHLLOKOSA-N 0 3 298.833 3.991 10 0 CHAEHN C[C@@H](N)c1cc(F)ccc1N(C)Cc1cccc(F)c1 ZINC000020266779 171123528 /nfs/dbraw/zinc/12/35/28/171123528.db2.gz VSJVEDHYFCWZLH-LLVKDONJSA-N 0 3 276.330 3.621 10 0 CHAEHN Cc1cc(CN[C@H](C)c2cccs2)cc(C)c1O ZINC000020305500 171141468 /nfs/dbraw/zinc/14/14/68/171141468.db2.gz ZIRIQCVTVHZLDD-GFCCVEGCSA-N 0 3 261.390 3.921 10 0 CHAEHN Cc1cc(C)c(C)c(OC[C@H](N)c2ccccc2)c1 ZINC000020425483 171192221 /nfs/dbraw/zinc/19/22/21/171192221.db2.gz XUHFALPPEZUTHU-INIZCTEOSA-N 0 3 255.361 3.691 10 0 CHAEHN N[C@H](Cc1ccccn1)c1c(Cl)cccc1Cl ZINC000020429041 171194049 /nfs/dbraw/zinc/19/40/49/171194049.db2.gz VQBOCAZEJQQSBZ-GFCCVEGCSA-N 0 3 267.159 3.631 10 0 CHAEHN Cc1cc([C@H](N)c2ccc3c(c2)CCC3)c(C)s1 ZINC000020431439 171195951 /nfs/dbraw/zinc/19/59/51/171195951.db2.gz DJCHMPBPGOUWHM-MRXNPFEDSA-N 0 3 257.402 3.902 10 0 CHAEHN C[C@H]1CCCC[C@@H]1Oc1cccc(Cl)c1CN ZINC000020469974 171211763 /nfs/dbraw/zinc/21/17/63/171211763.db2.gz HVPHBZYHQYEMLQ-GWCFXTLKSA-N 0 3 253.773 3.756 10 0 CHAEHN Cc1ccc(CN(C)c2cccc(Cl)c2CN)cc1 ZINC000020469767 171211865 /nfs/dbraw/zinc/21/18/65/171211865.db2.gz QEYWZFXHZAAKMT-UHFFFAOYSA-N 0 3 274.795 3.744 10 0 CHAEHN CCc1ccc(OC[C@H](N)c2ccc(C)cc2C)cc1 ZINC000020552667 171247784 /nfs/dbraw/zinc/24/77/84/171247784.db2.gz WHBVHQQHFIFKNZ-SFHVURJKSA-N 0 3 269.388 3.945 10 0 CHAEHN COc1ccc(C)cc1[C@H](N)COc1c(C)cccc1C ZINC000020561209 171252013 /nfs/dbraw/zinc/25/20/13/171252013.db2.gz CPRRUJDLTUBVRZ-MRXNPFEDSA-N 0 3 285.387 3.699 10 0 CHAEHN N[C@@H]1c2ccccc2C[C@H]1Oc1cccc2ccccc21 ZINC000020567410 171255184 /nfs/dbraw/zinc/25/51/84/171255184.db2.gz PLZAAGCJIDPPHA-RTBURBONSA-N 0 3 275.351 3.843 10 0 CHAEHN CCCOc1ccc2ccccc2c1CNC[C@H]1CCCO1 ZINC000020930572 171280951 /nfs/dbraw/zinc/28/09/51/171280951.db2.gz PQMKUXXVCYTGBE-MRXNPFEDSA-N 0 3 299.414 3.897 10 0 CHAEHN Cc1cccc([C@H](N)c2ccc3c(c2)CCCC3)c1 ZINC000021016743 171289822 /nfs/dbraw/zinc/28/98/22/171289822.db2.gz HYJZUNUGAMVDTQ-SFHVURJKSA-N 0 3 251.373 3.922 10 0 CHAEHN CC(C)CCOC[C@@H](N)c1ccc(CC(C)C)cc1 ZINC000021020172 171290542 /nfs/dbraw/zinc/29/05/42/171290542.db2.gz WBRQUWFEJWHWMV-QGZVFWFLSA-N 0 3 263.425 3.948 10 0 CHAEHN Cc1cc(C)c([C@H](N)COc2ccccc2)c(C)c1 ZINC000021020243 171290590 /nfs/dbraw/zinc/29/05/90/171290590.db2.gz OPRBVBWYJYUTPQ-MRXNPFEDSA-N 0 3 255.361 3.691 10 0 CHAEHN Cc1ccc(C)c([C@H](N)COc2ccccc2C)c1 ZINC000021501086 171305581 /nfs/dbraw/zinc/30/55/81/171305581.db2.gz YFBGGFVEAQFFKG-MRXNPFEDSA-N 0 3 255.361 3.691 10 0 CHAEHN CC(C)(C)c1ccc(O[C@H]2Cc3ccccc3[C@H]2N)cc1 ZINC000021504125 171307086 /nfs/dbraw/zinc/30/70/86/171307086.db2.gz BVTRZYUXHYGDRH-ZWKOTPCHSA-N 0 3 281.399 3.988 10 0 CHAEHN CCc1ccc([C@@H](N)COc2cc(C)ccc2C)cc1 ZINC000021518287 171314603 /nfs/dbraw/zinc/31/46/03/171314603.db2.gz MLFLUCJCZWFARZ-KRWDZBQOSA-N 0 3 269.388 3.945 10 0 CHAEHN COc1ccc(OC)c([C@@H](N)CC2CCCCC2)c1 ZINC000021519144 171315164 /nfs/dbraw/zinc/31/51/64/171315164.db2.gz NKRJFKDSJODDBM-HNNXBMFYSA-N 0 3 263.381 3.674 10 0 CHAEHN C[C@H](N)c1ccccc1NC(=O)CCC1CCCC1 ZINC000022213266 171374412 /nfs/dbraw/zinc/37/44/12/171374412.db2.gz HEGAORPHZUKDAI-LBPRGKRZSA-N 0 3 260.381 3.615 10 0 CHAEHN CCN(CC(C)C)c1cccc(Cl)c1CNC ZINC000034825099 171879566 /nfs/dbraw/zinc/87/95/66/171879566.db2.gz KGYVACPJZITUNN-UHFFFAOYSA-N 0 3 254.805 3.542 10 0 CHAEHN Fc1cccc(CCNCc2ccc(F)cc2Cl)c1 ZINC000035142970 172009383 /nfs/dbraw/zinc/00/93/83/172009383.db2.gz UAINVRWAKPCNEJ-UHFFFAOYSA-N 0 3 281.733 3.951 10 0 CHAEHN FC(F)(F)[C@H]1CCCC[C@@H]1NCc1ccsc1 ZINC000035258185 172089420 /nfs/dbraw/zinc/08/94/20/172089420.db2.gz IVXJEQVAUZSZKN-QWRGUYRKSA-N 0 3 263.328 3.959 10 0 CHAEHN CN[C@H](c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000035462900 172210961 /nfs/dbraw/zinc/21/09/61/172210961.db2.gz LDWYKYHZEGNHCL-AWEZNQCLSA-N 0 3 294.167 3.897 10 0 CHAEHN CN[C@@H](c1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC000035464590 172212353 /nfs/dbraw/zinc/21/23/53/172212353.db2.gz WOKSTEMOIUPVFG-HNNXBMFYSA-N 0 3 261.752 3.657 10 0 CHAEHN CN[C@@H](c1ccc(Cl)cc1)c1cc(F)cc(F)c1 ZINC000035464401 172212473 /nfs/dbraw/zinc/21/24/73/172212473.db2.gz LXVUPNCYBNHCSR-AWEZNQCLSA-N 0 3 267.706 3.927 10 0 CHAEHN CN[C@H](c1cc2c(s1)CCC2)c1ccc(OC)cc1 ZINC000035465516 172213309 /nfs/dbraw/zinc/21/33/09/172213309.db2.gz ARLLZJUFNAZOLF-INIZCTEOSA-N 0 3 273.401 3.554 10 0 CHAEHN CN[C@H](c1ccc(C)cc1)c1ccc(OC)cc1C ZINC000035468537 172217513 /nfs/dbraw/zinc/21/75/13/172217513.db2.gz NMLYHXNMUMVILB-QGZVFWFLSA-N 0 3 255.361 3.621 10 0 CHAEHN CN[C@H](c1cccs1)c1cc2c(s1)CCCC2 ZINC000035487801 172222680 /nfs/dbraw/zinc/22/26/80/172222680.db2.gz TZUOFNURSMIGDR-CQSZACIVSA-N 0 3 263.431 3.997 10 0 CHAEHN CN[C@H](c1cccs1)c1cccc(OC(F)F)c1 ZINC000035487877 172223017 /nfs/dbraw/zinc/22/30/17/172223017.db2.gz YPAMIWQOGQSMIW-LBPRGKRZSA-N 0 3 269.316 3.658 10 0 CHAEHN CN[C@H](c1cccs1)c1ccccc1OC(F)F ZINC000035487873 172223238 /nfs/dbraw/zinc/22/32/38/172223238.db2.gz DFEGKZISOWVJIU-LBPRGKRZSA-N 0 3 269.316 3.658 10 0 CHAEHN CN[C@@H](c1cccs1)c1cccc(OC(F)F)c1 ZINC000035487879 172223267 /nfs/dbraw/zinc/22/32/67/172223267.db2.gz YPAMIWQOGQSMIW-GFCCVEGCSA-N 0 3 269.316 3.658 10 0 CHAEHN CN[C@@H](Cc1ccccc1F)c1ccc(F)c(F)c1 ZINC000035494708 172227696 /nfs/dbraw/zinc/22/76/96/172227696.db2.gz RXJSBPUGJMSUAK-HNNXBMFYSA-N 0 3 265.278 3.607 10 0 CHAEHN CN[C@H](c1csc2ccccc21)c1cccnc1 ZINC000035499589 172233291 /nfs/dbraw/zinc/23/32/91/172233291.db2.gz WQSKAGTVCWXQLG-HNNXBMFYSA-N 0 3 254.358 3.605 10 0 CHAEHN CCC[C@@H](NC)c1cc2c(cc1Cl)OCCCO2 ZINC000035501133 172234708 /nfs/dbraw/zinc/23/47/08/172234708.db2.gz RRUOOCAESXYBIQ-GFCCVEGCSA-N 0 3 269.772 3.562 10 0 CHAEHN CN[C@H](c1cc(Cl)sc1Cl)[C@H]1C[C@@H]1C ZINC000035502354 172237409 /nfs/dbraw/zinc/23/74/09/172237409.db2.gz HRMUATRHLOGDDK-WATHFIQWSA-N 0 3 250.194 3.971 10 0 CHAEHN CCN[C@H](CC(F)(F)F)c1ccc(Cl)cc1 ZINC000035540390 172247035 /nfs/dbraw/zinc/24/70/35/172247035.db2.gz OGOSXZZNZXFXGN-SNVBAGLBSA-N 0 3 251.679 3.943 10 0 CHAEHN CCN[C@H](c1ccccc1)c1ccccc1OCC ZINC000035540622 172247296 /nfs/dbraw/zinc/24/72/96/172247296.db2.gz XWUXUYJVFKEQLH-QGZVFWFLSA-N 0 3 255.361 3.784 10 0 CHAEHN CCN[C@@H](Cc1ccccc1)c1cc(F)ccc1F ZINC000035543844 172252109 /nfs/dbraw/zinc/25/21/09/172252109.db2.gz CBPHVUJAQHUILR-INIZCTEOSA-N 0 3 261.315 3.858 10 0 CHAEHN CCN[C@H](c1cccs1)c1cc2c(s1)CCC2 ZINC000035545260 172253642 /nfs/dbraw/zinc/25/36/42/172253642.db2.gz PHPBAVXCILTOKF-CQSZACIVSA-N 0 3 263.431 3.997 10 0 CHAEHN CCN[C@@H](c1ccc(F)c(F)c1)c1ccccc1C ZINC000035549107 172256943 /nfs/dbraw/zinc/25/69/43/172256943.db2.gz NUKWUZADVVQOON-INIZCTEOSA-N 0 3 261.315 3.972 10 0 CHAEHN CCN[C@H](c1cc2c(cc1Cl)OCCCO2)C1CC1 ZINC000035557392 172262264 /nfs/dbraw/zinc/26/22/64/172262264.db2.gz DFEADKQPHSBKQA-HNNXBMFYSA-N 0 3 281.783 3.562 10 0 CHAEHN CCCN[C@@H](c1ccncc1)c1ccc(C)c(C)c1 ZINC000035572802 172268725 /nfs/dbraw/zinc/26/87/25/172268725.db2.gz CAZRGIWQOIGPJJ-KRWDZBQOSA-N 0 3 254.377 3.787 10 0 CHAEHN CCCN[C@H](c1ccncc1)c1ccc(C)cc1C ZINC000035579534 172274948 /nfs/dbraw/zinc/27/49/48/172274948.db2.gz AUZWWYPPVDYXIT-QGZVFWFLSA-N 0 3 254.377 3.787 10 0 CHAEHN CCCN[C@@H](c1ccncc1)c1ccc(C)cc1C ZINC000035579532 172275077 /nfs/dbraw/zinc/27/50/77/172275077.db2.gz AUZWWYPPVDYXIT-KRWDZBQOSA-N 0 3 254.377 3.787 10 0 CHAEHN Cc1cc(Cl)cc2c1OCCC[C@H]2NC1CC1 ZINC000035653024 172329432 /nfs/dbraw/zinc/32/94/32/172329432.db2.gz BMINLMIVEFHGBB-CYBMUJFWSA-N 0 3 251.757 3.614 10 0 CHAEHN Cc1cc2c(c(C)c1Cl)[C@H](NC1CC1)CCO2 ZINC000035657753 172332319 /nfs/dbraw/zinc/33/23/19/172332319.db2.gz GPIMCVWPRKUAIS-LLVKDONJSA-N 0 3 251.757 3.532 10 0 CHAEHN Cc1ccc(Cl)c2c1[C@@H](NC1CC1)CCCO2 ZINC000035657712 172332619 /nfs/dbraw/zinc/33/26/19/172332619.db2.gz IDUKNBNFRSUTSF-LBPRGKRZSA-N 0 3 251.757 3.614 10 0 CHAEHN NCc1cc(Cl)cc(Cl)c1OC1CCCC1 ZINC000035661860 172339328 /nfs/dbraw/zinc/33/93/28/172339328.db2.gz SJSSSRGZSQMZKC-UHFFFAOYSA-N 0 3 260.164 3.774 10 0 CHAEHN COC(=O)C[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000035748226 172396126 /nfs/dbraw/zinc/39/61/26/172396126.db2.gz BLDPLKSTXQVLFK-BDAKNGLRSA-N 0 3 290.190 3.596 10 0 CHAEHN CC(C)C[C@@H](N)c1nc2c(cccc2F)n1C(C)C ZINC000037442787 173210892 /nfs/dbraw/zinc/21/08/92/173210892.db2.gz SAGVVEJLVPFKRJ-GFCCVEGCSA-N 0 3 263.360 3.802 10 0 CHAEHN CCCCCCN(CCCCCC)C(=O)[C@@H](N)CC ZINC000037814515 173762292 /nfs/dbraw/zinc/76/22/92/173762292.db2.gz BNYJUTYUUGZCCM-HNNXBMFYSA-N 0 3 270.461 3.713 10 0 CHAEHN CC(C)NCc1c(Cl)cccc1N1CCC[C@H]1C ZINC000037911810 173844468 /nfs/dbraw/zinc/84/44/68/173844468.db2.gz PEHOTCTXRANKHM-GFCCVEGCSA-N 0 3 266.816 3.827 10 0 CHAEHN CC[C@@H](c1ccc(F)cc1)N1CCc2c(N)cccc2C1 ZINC000038032519 174029209 /nfs/dbraw/zinc/02/92/09/174029209.db2.gz BGURWNPMLSAPIN-SFHVURJKSA-N 0 3 284.378 3.917 10 0 CHAEHN N[C@H](c1nc2c(cccc2Cl)[nH]1)C1CCCCC1 ZINC000038036855 174036661 /nfs/dbraw/zinc/03/66/61/174036661.db2.gz RXEGMXMDHHRNTP-LBPRGKRZSA-N 0 3 263.772 3.796 10 0 CHAEHN Cc1nccc(CN[C@H](c2cccs2)C2CCCC2)n1 ZINC000038037807 174038674 /nfs/dbraw/zinc/03/86/74/174038674.db2.gz MHMWDILWAMZQDA-INIZCTEOSA-N 0 3 287.432 3.868 10 0 CHAEHN CN[C@H](c1ccc(C)s1)c1ccc2c(c1)CCCO2 ZINC000038057885 174068002 /nfs/dbraw/zinc/06/80/02/174068002.db2.gz NGWSSAGMPNZWKB-INIZCTEOSA-N 0 3 273.401 3.690 10 0 CHAEHN NCc1ccc(-c2ccc3c(c2)CCCC3)cc1F ZINC000038072549 174082541 /nfs/dbraw/zinc/08/25/41/174082541.db2.gz NVPCYNJMAVQROX-UHFFFAOYSA-N 0 3 255.336 3.830 10 0 CHAEHN NC[C@H](c1cccc(Cl)c1Cl)N1CCCCCC1 ZINC000039034759 174161872 /nfs/dbraw/zinc/16/18/72/174161872.db2.gz KVVCIDSVNYZYSW-CYBMUJFWSA-N 0 3 287.234 3.869 10 0 CHAEHN C[C@H]1CCC[C@@H](OC[C@H](N)c2ccc(F)cc2F)C1 ZINC000040177340 174202525 /nfs/dbraw/zinc/20/25/25/174202525.db2.gz LPYHLUCXMLVGIY-NVBFEUDRSA-N 0 3 269.335 3.560 10 0 CHAEHN CCCNCc1csc(-c2ccc(CC)cc2)n1 ZINC000040419371 174257077 /nfs/dbraw/zinc/25/70/77/174257077.db2.gz XPKIDQJEHKBODA-UHFFFAOYSA-N 0 3 260.406 3.872 10 0 CHAEHN CC(C)Oc1ccc2ccccc2c1CNC[C@@H]1CCCO1 ZINC000040729614 174388339 /nfs/dbraw/zinc/38/83/39/174388339.db2.gz GEFLVIYVGDIVJO-INIZCTEOSA-N 0 3 299.414 3.896 10 0 CHAEHN CN[C@@H](C)c1cc(F)ccc1N(CC(C)C)C1CC1 ZINC000042557671 174794469 /nfs/dbraw/zinc/79/44/69/174794469.db2.gz FMQCADIUSBXWLL-LBPRGKRZSA-N 0 3 264.388 3.731 10 0 CHAEHN Nc1ccnc(Nc2cc(Cl)ccc2Cl)c1 ZINC000043568524 175067563 /nfs/dbraw/zinc/06/75/63/175067563.db2.gz LBNZLQDYSKTJMX-UHFFFAOYSA-N 0 3 254.120 3.714 10 0 CHAEHN CN[C@@H](Cc1c(Cl)cccc1Cl)c1cccnc1 ZINC000044267446 175157953 /nfs/dbraw/zinc/15/79/53/175157953.db2.gz ZMTFXUNMVBCMMQ-AWEZNQCLSA-N 0 3 281.186 3.892 10 0 CHAEHN CNCc1cc(C)ccc1OCc1ccc(Cl)cc1 ZINC000071403615 176154850 /nfs/dbraw/zinc/15/48/50/176154850.db2.gz PGYMBTDGUPJTTQ-UHFFFAOYSA-N 0 3 275.779 3.947 10 0 CHAEHN CC(C)CCC[C@H](C)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000037231895 260076364 /nfs/dbraw/zinc/07/63/64/260076364.db2.gz KCPYHBCHXUYBOV-HOCLYGCPSA-N 0 3 288.435 3.899 10 0 CHAEHN CC[C@@H](N[C@@H](C)c1ncc(Br)s1)C(C)C ZINC000126472224 260353359 /nfs/dbraw/zinc/35/33/59/260353359.db2.gz KQLPXUBASMZSJW-DTWKUNHWSA-N 0 3 291.258 3.991 10 0 CHAEHN Fc1ccc2c(c1)CC[C@H]2N[C@H]1CCOc2ccccc21 ZINC000128476452 260374807 /nfs/dbraw/zinc/37/48/07/260374807.db2.gz XFINKCXLQONRPW-SJORKVTESA-N 0 3 283.346 3.926 10 0 CHAEHN C[C@H]1CC[C@@H](NCc2cccn2C)c2ccccc21 ZINC000154175602 261088579 /nfs/dbraw/zinc/08/85/79/261088579.db2.gz CLSVXGKZFZIFCD-SUMWQHHRSA-N 0 3 254.377 3.753 10 0 CHAEHN CC[C@@H](C)[C@@H](C)N(Cc1nc(-c2ccoc2)no1)C1CC1 ZINC000105717586 261315974 /nfs/dbraw/zinc/31/59/74/261315974.db2.gz SLTMPLVZQNRRGM-VXGBXAGGSA-N 0 3 289.379 3.729 10 0 CHAEHN Cc1cccc(N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n1 ZINC000301978751 261344976 /nfs/dbraw/zinc/34/49/76/261344976.db2.gz ADOUFKHLZTVPAT-WMZOPIPTSA-N 0 3 295.430 3.855 10 0 CHAEHN C[C@@H](COCc1ccccc1)N[C@@H](C)c1ccco1 ZINC000178065273 261375597 /nfs/dbraw/zinc/37/55/97/261375597.db2.gz WJOQXYVXNGWUIR-KBPBESRZSA-N 0 3 259.349 3.536 10 0 CHAEHN CC1(C)CCc2ccccc2[C@H]1NCc1cc[nH]c1 ZINC000179003281 261764651 /nfs/dbraw/zinc/76/46/51/261764651.db2.gz KGUDZYLSRRYVON-MRXNPFEDSA-N 0 3 254.377 3.818 10 0 CHAEHN COc1ccccc1[C@@H](C)N[C@@H](CN(C)C)c1ccccc1 ZINC000120421175 262194872 /nfs/dbraw/zinc/19/48/72/262194872.db2.gz ONIOWKCRVIAHAW-QAPCUYQASA-N 0 3 298.430 3.649 10 0 CHAEHN Cc1nn(C)cc1CN[C@H](C)c1ccc(C(C)C)cc1 ZINC000148853724 264377600 /nfs/dbraw/zinc/37/76/00/264377600.db2.gz WVWNDDWRVKZZTD-CYBMUJFWSA-N 0 3 271.408 3.703 10 0 CHAEHN Cc1ccc([C@H](C)NCc2ccncc2C)c(C)c1 ZINC000228660817 267250150 /nfs/dbraw/zinc/25/01/50/267250150.db2.gz TUKJKJCZCBPHEK-HNNXBMFYSA-N 0 3 254.377 3.858 10 0 CHAEHN CCSCCN[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000336789442 328957324 /nfs/dbraw/zinc/95/73/24/328957324.db2.gz TTWDQLSMPNTUHZ-CYBMUJFWSA-N 0 3 265.422 3.632 10 0 CHAEHN Cc1cn[nH]c1CN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000289997597 328257303 /nfs/dbraw/zinc/25/73/03/328257303.db2.gz STUZMZFDZSQZRQ-ZDUSSCGKSA-N 0 3 257.381 3.692 10 0 CHAEHN COc1ccc(C[C@@H](C)N[C@H](C)c2ccc(C)o2)cc1 ZINC000036960593 326901411 /nfs/dbraw/zinc/90/14/11/326901411.db2.gz PGROYRWRDQCXQZ-TZMCWYRMSA-N 0 3 273.376 3.878 10 0 CHAEHN CCOc1ccccc1OCCN[C@@H](C)c1ccc(C)o1 ZINC000088400059 327025088 /nfs/dbraw/zinc/02/50/88/327025088.db2.gz IEMUPALCWYSLLC-AWEZNQCLSA-N 0 3 289.375 3.716 10 0 CHAEHN CCC(C)(C)NC(=O)CN[C@@H](C)c1cccc2ccccc21 ZINC000102690920 328712802 /nfs/dbraw/zinc/71/28/02/328712802.db2.gz UWIISCDAKYIHFC-AWEZNQCLSA-N 0 3 298.430 3.795 10 0 CHAEHN Cc1nccn1C[C@@H]1CCCN1Cc1ccc(Cl)s1 ZINC000178321393 329198615 /nfs/dbraw/zinc/19/86/15/329198615.db2.gz AHCKFSDBLCWTST-LBPRGKRZSA-N 0 3 295.839 3.571 10 0 CHAEHN Fc1ccc2c(C3=CCN(Cc4cc[nH]c4)CC3)c[nH]c2c1 ZINC000179799622 329212203 /nfs/dbraw/zinc/21/22/03/329212203.db2.gz BTOIZZCBTUEBFN-UHFFFAOYSA-N 0 3 295.361 3.924 10 0 CHAEHN C[C@@H](NC[C@H]1CCN(C)c2ccccc21)c1ccco1 ZINC000180014378 329214533 /nfs/dbraw/zinc/21/45/33/329214533.db2.gz CMAUVZHQZWLLRA-ZIAGYGMSSA-N 0 3 270.376 3.554 10 0 CHAEHN Fc1ccc(Cl)c(CN2CCC(c3ccn[nH]3)CC2)c1 ZINC000188925125 329373474 /nfs/dbraw/zinc/37/34/74/329373474.db2.gz PDCKWBDVVHUIKG-UHFFFAOYSA-N 0 3 293.773 3.582 10 0 CHAEHN CC1(C)C[C@H]1N[C@@H]1CCSc2c(F)cccc21 ZINC000045117457 329597016 /nfs/dbraw/zinc/59/70/16/329597016.db2.gz SCOCPGOLINCLRT-VXGBXAGGSA-N 0 3 251.370 3.751 10 0 CHAEHN Cc1ccc([C@H](C)NC2CCN(c3cccc(C)n3)CC2)o1 ZINC000128231690 329606199 /nfs/dbraw/zinc/60/61/99/329606199.db2.gz SCPHXESWUMEWEB-HNNXBMFYSA-N 0 3 299.418 3.611 10 0 CHAEHN C[C@H](N[C@@H]1CCO[C@@H](C2CC2)C1)c1cccc(F)c1F ZINC000248832679 329900301 /nfs/dbraw/zinc/90/03/01/329900301.db2.gz MRPMXLACHBPTOO-JVLSTEMRSA-N 0 3 281.346 3.573 10 0 CHAEHN C[C@H](N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccccc1Cl ZINC000248908318 329902304 /nfs/dbraw/zinc/90/23/04/329902304.db2.gz VCAGCSJIUGDCKC-NORZTCDRSA-N 0 3 279.811 3.948 10 0 CHAEHN C[C@@H](NC[C@H]1CCCCN1Cc1ccccc1)c1ccco1 ZINC000379615235 330141887 /nfs/dbraw/zinc/14/18/87/330141887.db2.gz AKTAEYQPGUCCGF-SJLPKXTDSA-N 0 3 298.430 3.985 10 0 CHAEHN CCCCN(CCCC)Cc1nc(-c2ccoc2)no1 ZINC000105607908 330327532 /nfs/dbraw/zinc/32/75/32/330327532.db2.gz FZENGROLWVPDFR-UHFFFAOYSA-N 0 3 277.368 3.732 10 0 CHAEHN COCCCN[C@H](c1ccccc1)c1ccccc1C ZINC000105689690 330327995 /nfs/dbraw/zinc/32/79/95/330327995.db2.gz MFUHLLNTKHIMGB-GOSISDBHSA-N 0 3 269.388 3.711 10 0 CHAEHN CCCCNC(=O)[C@@H](C)N[C@H](C)c1ccc2ccccc2c1 ZINC000119304828 330372522 /nfs/dbraw/zinc/37/25/22/330372522.db2.gz URPRSMCDQSNVPW-HUUCEWRRSA-N 0 3 298.430 3.795 10 0 CHAEHN C[C@H](N[C@H]1C[C@H]1C)c1ccc(F)cc1Br ZINC000120447041 330388007 /nfs/dbraw/zinc/38/80/07/330388007.db2.gz YRZMRBRGXKTYJK-LWINAJNOSA-N 0 3 272.161 3.647 10 0 CHAEHN CCN(CC)C(=O)C[C@H](C)N[C@@H](C)c1cccc(Cl)c1 ZINC000121381787 330399733 /nfs/dbraw/zinc/39/97/33/330399733.db2.gz RDTNBEUCIGWYAO-STQMWFEESA-N 0 3 296.842 3.638 10 0 CHAEHN CCC[C@H](O)CN[C@H](c1ccccc1)c1ccccc1C ZINC000166060727 331306446 /nfs/dbraw/zinc/30/64/46/331306446.db2.gz URXSVHNEJZYCSQ-PKOBYXMFSA-N 0 3 283.415 3.835 10 0 CHAEHN C[C@@H]1CC(CNCc2csc(C(C)(C)C)n2)C[C@@H](C)O1 ZINC000466424910 331396462 /nfs/dbraw/zinc/39/64/62/331396462.db2.gz JWTXFLIRPCLCIF-VXGBXAGGSA-N 0 3 296.480 3.734 10 0 CHAEHN COc1ccccc1[C@@H](C)N[C@@H](C)COCc1ccccc1 ZINC000178064096 333067379 /nfs/dbraw/zinc/06/73/79/333067379.db2.gz NJTBAPWOCFPDHZ-JKSUJKDBSA-N 0 3 299.414 3.951 10 0 CHAEHN Cc1ccc([C@H](C)NCCn2cc(Cl)cn2)cc1C ZINC000312025498 333075786 /nfs/dbraw/zinc/07/57/86/333075786.db2.gz WDTWWNPOECBPJS-ZDUSSCGKSA-N 0 3 277.799 3.504 10 0 CHAEHN CC(C)OC1CC(N[C@H](C)c2ccc(F)c(F)c2)C1 ZINC000185061691 333135098 /nfs/dbraw/zinc/13/50/98/333135098.db2.gz WKBIMKSHWAYGEF-QFWMXSHPSA-N 0 3 269.335 3.571 10 0 CHAEHN OC[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1Cl ZINC000219017285 333140356 /nfs/dbraw/zinc/14/03/56/333140356.db2.gz QBEUBUBNMFKNAG-RISCZKNCSA-N 0 3 288.218 3.634 10 0 CHAEHN C[C@@H](NC[C@@H]1CCCN1C)c1cc(Cl)ccc1Cl ZINC000222704347 333199166 /nfs/dbraw/zinc/19/91/66/333199166.db2.gz HQIBGZDQTATTPM-PWSUYJOCSA-N 0 3 287.234 3.738 10 0 CHAEHN Cc1ccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000236000705 333372859 /nfs/dbraw/zinc/37/28/59/333372859.db2.gz KAHOWODVHWFFNT-NVXWUHKLSA-N 0 3 293.838 3.775 10 0 CHAEHN CCCC[C@H](N)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037619738 333535284 /nfs/dbraw/zinc/53/52/84/333535284.db2.gz UDXJYPNQBMVGEE-CJNGLKHVSA-N 0 3 290.451 3.679 10 0 CHAEHN Oc1cccc2c1CC[C@H]2NCCSc1ccccc1 ZINC000037904170 333542705 /nfs/dbraw/zinc/54/27/05/333542705.db2.gz OORGWYRRSHURNM-MRXNPFEDSA-N 0 3 285.412 3.761 10 0 CHAEHN C[C@H]1C[C@H]1NCc1ccc(Br)cc1Cl ZINC000126764712 333604888 /nfs/dbraw/zinc/60/48/88/333604888.db2.gz SFJWQBQPYBNEPS-WRWORJQWSA-N 0 3 274.589 3.601 10 0 CHAEHN CC[C@H](N[C@@H]1CCCCC[C@@H]1O)c1ccccc1F ZINC000135636424 334134849 /nfs/dbraw/zinc/13/48/49/334134849.db2.gz DAEUGAHWQKDZQQ-XHSDSOJGSA-N 0 3 265.372 3.560 10 0 CHAEHN Cc1ccc2c(c1)[C@H](N[C@H](C)c1cccnc1)[C@H](C)C2 ZINC000245771421 334218786 /nfs/dbraw/zinc/21/87/86/334218786.db2.gz XJFCNGCQQYZXCD-HBUWYVDXSA-N 0 3 266.388 3.974 10 0 CHAEHN C[C@H](N[C@H]1CCCC[C@H]1CO)c1ccccc1Cl ZINC000247326131 334279064 /nfs/dbraw/zinc/27/90/64/334279064.db2.gz LYKYDQQBPHHLSU-HUBLWGQQSA-N 0 3 267.800 3.542 10 0 CHAEHN COc1ccc(Cl)cc1[C@H](C)N[C@H]1CCCC[C@H]1CO ZINC000247926075 334291560 /nfs/dbraw/zinc/29/15/60/334291560.db2.gz BPOWKKFVWOMNPK-HUBLWGQQSA-N 0 3 297.826 3.550 10 0 CHAEHN CCN(Cc1nccn1C(C)C)[C@@H]1CCCC[C@H]1C ZINC000249374285 334332742 /nfs/dbraw/zinc/33/27/42/334332742.db2.gz NUGBIHUOHLCFRK-HUUCEWRRSA-N 0 3 263.429 3.865 10 0 CHAEHN Oc1cccc2c1CC[C@@H]2N[C@@H]1C[C@H]1c1ccccc1 ZINC000250819354 334351311 /nfs/dbraw/zinc/35/13/11/334351311.db2.gz QPAUYXVLXMVTDM-YESZJQIVSA-N 0 3 265.356 3.525 10 0 CHAEHN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)[C@@H]1CCCCO1 ZINC000271986417 334748827 /nfs/dbraw/zinc/74/88/27/334748827.db2.gz YHADTMXWVXTZCX-RWSFTLGLSA-N 0 3 269.335 3.573 10 0 CHAEHN C[C@H](N[C@@H]1CCCC[C@@H]1O)c1ccc(-c2ccccc2)o1 ZINC000165289867 334893923 /nfs/dbraw/zinc/89/39/23/334893923.db2.gz UPDHUEHZZAXBMS-IMJJTQAJSA-N 0 3 285.387 3.901 10 0 CHAEHN CC(C)[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccccc1Cl ZINC000183584418 335897973 /nfs/dbraw/zinc/89/79/73/335897973.db2.gz FLKXPFGVFQQHOH-ZENOOKHLSA-N 0 3 279.811 3.564 10 0 CHAEHN CCNc1ncccc1CN(C)C1CCC(C)CC1 ZINC000052730273 520376329 /nfs/dbraw/zinc/37/63/29/520376329.db2.gz ROOVKPFZPRSXMN-UHFFFAOYSA-N 0 3 261.413 3.524 10 0 CHAEHN CCN(CC(C)C)c1nc(C(C)(C)C)c(CNC)s1 ZINC000054996297 520415492 /nfs/dbraw/zinc/41/54/92/520415492.db2.gz SVXGMTRKNIVSGH-UHFFFAOYSA-N 0 3 283.485 3.642 10 0 CHAEHN CNCc1oc(COc2cccc(Cl)c2)cc1C ZINC000052674647 522159933 /nfs/dbraw/zinc/15/99/33/522159933.db2.gz RBTJLUVBELLMQI-UHFFFAOYSA-N 0 3 265.740 3.540 10 0 CHAEHN CN[C@@H](C)c1cc(F)ccc1OCc1cccs1 ZINC000049585748 522330333 /nfs/dbraw/zinc/33/03/33/522330333.db2.gz PETCCMFHGAOCGX-JTQLQIEISA-N 0 3 265.353 3.747 10 0 CHAEHN CC[C@H](N)c1ccc(-c2ccccc2COC)s1 ZINC000049511058 522345856 /nfs/dbraw/zinc/34/58/56/522345856.db2.gz HMRLWVZPOXGTMB-ZDUSSCGKSA-N 0 3 261.390 3.971 10 0 CHAEHN CCc1nc(N(C)c2cccc(C)c2)sc1CNC ZINC000054999396 522381530 /nfs/dbraw/zinc/38/15/30/522381530.db2.gz GLSWPSUJQAMABQ-UHFFFAOYSA-N 0 3 275.421 3.501 10 0 CHAEHN C/C=C/COCc1cc(CNC(C)(C)C)oc1C ZINC000052594969 518517890 /nfs/dbraw/zinc/51/78/90/518517890.db2.gz CRYUBFZVLXEQKK-VOTSOKGWSA-N 0 3 251.370 3.569 10 0 CHAEHN CC(C)(C)c1cccc(OCc2cc(CN)co2)c1 ZINC000052699067 519056505 /nfs/dbraw/zinc/05/65/05/519056505.db2.gz QRUNMLKCKCVJNM-UHFFFAOYSA-N 0 3 259.349 3.615 10 0 CHAEHN CCCN[C@@H](CSC)c1ccccc1OC(F)(F)F ZINC000055229930 520014214 /nfs/dbraw/zinc/01/42/14/520014214.db2.gz ZSKCKGBWNQQNBB-NSHDSACASA-N 0 3 293.354 3.989 10 0 CHAEHN CCN[C@@H](C)c1cnn(Cc2c(Cl)cccc2Cl)c1 ZINC000054721246 520079886 /nfs/dbraw/zinc/07/98/86/520079886.db2.gz FPRRFSCKBULOCK-JTQLQIEISA-N 0 3 298.217 3.909 10 0 CHAEHN CCN[C@@H](c1ccc(F)cc1)c1ccc(F)cc1C ZINC000055205281 520109095 /nfs/dbraw/zinc/10/90/95/520109095.db2.gz SHMXJMLNXIULNR-INIZCTEOSA-N 0 3 261.315 3.972 10 0 CHAEHN CCCCCN(c1ncc(CNCC)s1)C(C)C ZINC000054908213 520178502 /nfs/dbraw/zinc/17/85/02/520178502.db2.gz ROWBAPJVFIUFPA-UHFFFAOYSA-N 0 3 269.458 3.658 10 0 CHAEHN CC1(C)CCc2ccccc2[C@H]1NCc1ccncc1 ZINC000126158128 520416717 /nfs/dbraw/zinc/41/67/17/520416717.db2.gz ZXSVSIKFROYBKR-QGZVFWFLSA-N 0 3 266.388 3.885 10 0 CHAEHN CCCC[C@@H](C)NCc1cccc(OCC)c1OC ZINC000050887535 521007924 /nfs/dbraw/zinc/00/79/24/521007924.db2.gz KLXJYHKGORRSER-CYBMUJFWSA-N 0 3 265.397 3.762 10 0 CHAEHN CCCC[C@H](C)NC1=NC[C@H](c2ccccc2)S1 ZINC000050889890 521148569 /nfs/dbraw/zinc/14/85/69/521148569.db2.gz VWUJVHGVEGZHPZ-GXTWGEPZSA-N 0 3 262.422 3.999 10 0 CHAEHN CCOc1cccc([C@H](N)c2ccc(C)cc2C)c1 ZINC000055235850 521422207 /nfs/dbraw/zinc/42/22/07/521422207.db2.gz NHMHZIQIGDYDCK-KRWDZBQOSA-N 0 3 255.361 3.750 10 0 CHAEHN CCCn1c2ccc(Cl)cc2nc1C(C)(C)NCC ZINC000061149818 521636748 /nfs/dbraw/zinc/63/67/48/521636748.db2.gz AYMFVGGCGGZWJA-UHFFFAOYSA-N 0 3 279.815 3.944 10 0 CHAEHN CC[C@H](C)OCc1cc(CNC(C)(C)C)c(C)o1 ZINC000052668805 521755054 /nfs/dbraw/zinc/75/50/54/521755054.db2.gz UPFBKQXUIMWJDT-NSHDSACASA-N 0 3 253.386 3.791 10 0 CHAEHN CN(C)CCSCc1ncc(-c2ccccc2Cl)o1 ZINC000157728710 521805739 /nfs/dbraw/zinc/80/57/39/521805739.db2.gz QOTHPTSBYNTISO-UHFFFAOYSA-N 0 3 296.823 3.790 10 0 CHAEHN CC[C@@H](C)N(CC)c1ncccc1CNC(C)(C)C ZINC000051441127 522086760 /nfs/dbraw/zinc/08/67/60/522086760.db2.gz QLDARURNPQMCCL-CYBMUJFWSA-N 0 3 263.429 3.595 10 0 CHAEHN CNCc1ccoc1CO[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000052629231 522142151 /nfs/dbraw/zinc/14/21/51/522142151.db2.gz RGJNICXRDMZEFZ-OCCSQVGLSA-N 0 3 265.397 3.730 10 0 CHAEHN CN[C@H](C)c1ccc(-c2cccc3cccnc32)o1 ZINC000052924130 522447732 /nfs/dbraw/zinc/44/77/32/522447732.db2.gz CWDDCEPHKUNXFQ-LLVKDONJSA-N 0 3 252.317 3.775 10 0 CHAEHN CN(c1ncc(CNC(C)(C)C)s1)c1ccccc1 ZINC000054900398 523665874 /nfs/dbraw/zinc/66/58/74/523665874.db2.gz HINRUWIYPBEALM-UHFFFAOYSA-N 0 3 275.421 3.799 10 0 CHAEHN COc1ccc(C)cc1[C@@H](N)c1cc(C)sc1C ZINC000052943490 523855149 /nfs/dbraw/zinc/85/51/49/523855149.db2.gz BYDNCRYPDOTJIC-HNNXBMFYSA-N 0 3 261.390 3.730 10 0 CHAEHN COc1ccc(C)cc1[C@H](N)c1cc(C)sc1C ZINC000052943489 523860569 /nfs/dbraw/zinc/86/05/69/523860569.db2.gz BYDNCRYPDOTJIC-OAHLLOKOSA-N 0 3 261.390 3.730 10 0 CHAEHN Cc1ccc(C)c(Oc2cccc(F)c2C(=N)N)c1C ZINC000062714834 524184132 /nfs/dbraw/zinc/18/41/32/524184132.db2.gz CYWCQCXXMXLHHJ-UHFFFAOYSA-N 0 3 272.323 3.827 10 0 CHAEHN COc1ccc(Cl)cc1[C@H](N)c1ccc(F)c(C)c1 ZINC000055225082 524255055 /nfs/dbraw/zinc/25/50/55/524255055.db2.gz JYDCZNADAZUYSR-OAHLLOKOSA-N 0 3 279.742 3.844 10 0 CHAEHN C[C@H](N)c1c(F)cccc1Oc1cccc(F)c1F ZINC000062615642 524861180 /nfs/dbraw/zinc/86/11/80/524861180.db2.gz LKMNWMIUGBXTKC-QMMMGPOBSA-N 0 3 267.250 3.916 10 0 CHAEHN C[C@H](N[C@@H](C)c1cccc(-n2ccnc2)c1)c1ccncc1 ZINC000156720954 525534547 /nfs/dbraw/zinc/53/45/47/525534547.db2.gz SHHPBHCSTPTKMG-GJZGRUSLSA-N 0 3 292.386 3.679 10 0 CHAEHN C[C@H](N[C@@H]1C[C@H]1C)c1sccc1Br ZINC000052274786 525588727 /nfs/dbraw/zinc/58/87/27/525588727.db2.gz YPCDVGAOFDQDKW-BKPPORCPSA-N 0 3 260.200 3.570 10 0 CHAEHN Cc1oc(COc2ccc(Cl)c(Cl)c2)cc1CN ZINC000052702486 526777120 /nfs/dbraw/zinc/77/71/20/526777120.db2.gz YVAOTLIQZOAJQW-UHFFFAOYSA-N 0 3 286.158 3.933 10 0 CHAEHN Cc1nc(N2CCCc3ccccc32)sc1[C@H](C)N ZINC000054863963 526967363 /nfs/dbraw/zinc/96/73/63/526967363.db2.gz ZNBXHKBDNGXRDI-JTQLQIEISA-N 0 3 273.405 3.556 10 0 CHAEHN NCc1cc(Cl)ccc1SCc1ccco1 ZINC000052858590 527248856 /nfs/dbraw/zinc/24/88/56/527248856.db2.gz OAWLRMQGAQGHDY-UHFFFAOYSA-N 0 3 253.754 3.684 10 0 CHAEHN NCc1ccc(Oc2cccc(F)c2F)cc1Cl ZINC000062611045 527257599 /nfs/dbraw/zinc/25/75/99/527257599.db2.gz WVLSAICBIIAIHM-UHFFFAOYSA-N 0 3 269.678 3.869 10 0 CHAEHN N[C@H](c1cnc2ccccc2c1)c1ccccc1Cl ZINC000050438799 527392315 /nfs/dbraw/zinc/39/23/15/527392315.db2.gz HUNGRUQNYDIQPD-MRXNPFEDSA-N 0 3 268.747 3.936 10 0 CHAEHN Brc1cccc([C@@H]2NCCc3ccsc32)c1 ZINC000084704878 567033608 /nfs/dbraw/zinc/03/36/08/567033608.db2.gz AYHHPTODVGIXEN-LBPRGKRZSA-N 0 3 294.217 3.746 10 0 CHAEHN CCOc1c(CNC2CCCC2)cc(Cl)cc1OC ZINC000010474040 567861850 /nfs/dbraw/zinc/86/18/50/567861850.db2.gz CVYYWPCBNVHYDR-UHFFFAOYSA-N 0 3 283.799 3.780 10 0 CHAEHN CCCn1cc(CNCc2ccncc2)c2ccccc21 ZINC000057353296 567895117 /nfs/dbraw/zinc/89/51/17/567895117.db2.gz RVUWXLIARVLOPF-UHFFFAOYSA-N 0 3 279.387 3.736 10 0 CHAEHN CCCc1nc(Cc2ccccc2)sc1CNCC ZINC000082426870 178002096 /nfs/dbraw/zinc/00/20/96/178002096.db2.gz GBCTWNLBKLEOHD-UHFFFAOYSA-N 0 3 274.433 3.796 10 0 CHAEHN CCCc1nc(-c2ccccc2Cl)sc1CN ZINC000082427055 178003052 /nfs/dbraw/zinc/00/30/52/178003052.db2.gz XBHUXAAUVJDHDP-UHFFFAOYSA-N 0 3 266.797 3.875 10 0 CHAEHN CC(C)OC[C@@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000309331309 260153776 /nfs/dbraw/zinc/15/37/76/260153776.db2.gz HXGBHGQYTBLJBN-NXEZZACHSA-N 0 3 261.818 3.866 10 0 CHAEHN CC(C)OC[C@@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000309331312 260153810 /nfs/dbraw/zinc/15/38/10/260153810.db2.gz HXGBHGQYTBLJBN-ZJUUUORDSA-N 0 3 261.818 3.866 10 0 CHAEHN Cc1noc(C)c1CN[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000095983377 185053843 /nfs/dbraw/zinc/05/38/43/185053843.db2.gz RZIDGAGVRNHTOD-JGGQBBKZSA-N 0 3 262.397 3.596 10 0 CHAEHN CCN[C@H](CC)C(=O)c1ccc(C(C)(C)C)cc1C ZINC000096891111 185124533 /nfs/dbraw/zinc/12/45/33/185124533.db2.gz JNBXFZDWCKXXLS-OAHLLOKOSA-N 0 3 261.409 3.863 10 0 CHAEHN CCc1nc2n(n1)CCC[C@H]2N[C@H](CC)C1CCCCC1 ZINC000167881421 529750846 /nfs/dbraw/zinc/75/08/46/529750846.db2.gz YNGBEBLENMRZGC-HUUCEWRRSA-N 0 3 290.455 3.624 10 0 CHAEHN N[C@@H](c1ccc(Cl)s1)[C@@H]1CCOc2ccccc21 ZINC000104201353 185928756 /nfs/dbraw/zinc/92/87/56/185928756.db2.gz QMNCEJPWNCYPRH-QMTHXVAHSA-N 0 3 279.792 3.968 10 0 CHAEHN Cc1cc(C)c(CN2CCC[C@@H]2c2cnn(C)c2)c(C)c1 ZINC000171410414 335065084 /nfs/dbraw/zinc/06/50/84/335065084.db2.gz JETSYSFWLZZQCC-GOSISDBHSA-N 0 3 283.419 3.682 10 0 CHAEHN Fc1cccc(CNCc2c[nH]c3ccccc23)c1 ZINC000006583726 170215559 /nfs/dbraw/zinc/21/55/59/170215559.db2.gz HVWXEXVYMTZSQU-UHFFFAOYSA-N 0 3 254.308 3.597 10 0 CHAEHN N[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1F ZINC000019421418 170792710 /nfs/dbraw/zinc/79/27/10/170792710.db2.gz PFLAKWUNIXXQHD-CYBMUJFWSA-N 0 3 253.679 3.666 10 0 CHAEHN COc1ccc([C@H](N)c2cccc(Br)c2)cc1 ZINC000019476480 170807440 /nfs/dbraw/zinc/80/74/40/170807440.db2.gz GHUJOTVPUAVTHX-AWEZNQCLSA-N 0 3 292.176 3.506 10 0 CHAEHN NC[C@@H](Oc1cccc(F)c1)c1cccc(Cl)c1 ZINC000019671190 170835886 /nfs/dbraw/zinc/83/58/86/170835886.db2.gz VVFGILRRXPDBKR-CQSZACIVSA-N 0 3 265.715 3.558 10 0 CHAEHN COc1cc([C@@H](C)N[C@H](C)c2cccc(F)c2)ccc1O ZINC000020147946 171035472 /nfs/dbraw/zinc/03/54/72/171035472.db2.gz AIJMOAUIEBYTCH-VXGBXAGGSA-N 0 3 289.350 3.952 10 0 CHAEHN CC[C@H]1CCCCN1Cc1cc(N)ccc1Cl ZINC000020192564 171059152 /nfs/dbraw/zinc/05/91/52/171059152.db2.gz SIHUILSRMNWZMU-ZDUSSCGKSA-N 0 3 252.789 3.687 10 0 CHAEHN C[C@@H](N[C@@H](C)[C@@H]1CCCO1)c1ccc(F)c(Cl)c1 ZINC000020208224 171072418 /nfs/dbraw/zinc/07/24/18/171072418.db2.gz QKNWBKHCVZPZOO-BFVZDQMLSA-N 0 3 271.763 3.697 10 0 CHAEHN CN(Cc1ccccc1Cl)[C@@H](CN)c1ccc(F)cc1 ZINC000020225660 171089057 /nfs/dbraw/zinc/08/90/57/171089057.db2.gz XMBDLUQADURPJO-INIZCTEOSA-N 0 3 292.785 3.611 10 0 CHAEHN CN(CC(C)(C)C)[C@@H](CN)c1ccc(Cl)cc1Cl ZINC000020226702 171091667 /nfs/dbraw/zinc/09/16/67/171091667.db2.gz JCCHYDVBZMAXSG-ZDUSSCGKSA-N 0 3 289.250 3.971 10 0 CHAEHN CN(CC(C)(C)C)[C@@H](CN)c1cccc(Cl)c1Cl ZINC000020226734 171091852 /nfs/dbraw/zinc/09/18/52/171091852.db2.gz QFCJYAJXHNTWKO-LBPRGKRZSA-N 0 3 289.250 3.971 10 0 CHAEHN CN(CC(C)(C)C)[C@@H](CN)c1c(Cl)cccc1Cl ZINC000020226718 171091941 /nfs/dbraw/zinc/09/19/41/171091941.db2.gz RDSSMXKOSBZZQC-LBPRGKRZSA-N 0 3 289.250 3.971 10 0 CHAEHN C[C@@H](N)c1c(F)cccc1N(C)Cc1cccc(F)c1 ZINC000020266772 171123714 /nfs/dbraw/zinc/12/37/14/171123714.db2.gz DHEBIWFBDRYUFU-LLVKDONJSA-N 0 3 276.330 3.621 10 0 CHAEHN C[C@H](N)c1ccc(-c2cccc(Br)c2)o1 ZINC000020267854 171124113 /nfs/dbraw/zinc/12/41/13/171124113.db2.gz QDBLSGGAHSITHJ-QMMMGPOBSA-N 0 3 266.138 3.729 10 0 CHAEHN NCc1ccccc1Oc1ccc(Br)cc1 ZINC000020470233 171212206 /nfs/dbraw/zinc/21/22/06/171212206.db2.gz KHRCEVPCUKKFIO-UHFFFAOYSA-N 0 3 278.149 3.700 10 0 CHAEHN COc1ccc([C@@H](N)[C@H](C)OCCCC(C)C)cc1 ZINC000020511608 171231270 /nfs/dbraw/zinc/23/12/70/171231270.db2.gz HGKNCEFRUXPELZ-BBRMVZONSA-N 0 3 265.397 3.536 10 0 CHAEHN CCCCCCOc1ccc(Br)cc1CN ZINC000020519713 171233643 /nfs/dbraw/zinc/23/36/43/171233643.db2.gz YDBYEOZIJBLTMC-UHFFFAOYSA-N 0 3 286.213 3.867 10 0 CHAEHN Cc1ccc(C)c([C@@H](N)COc2cccc(C)c2C)c1 ZINC000020551936 171247620 /nfs/dbraw/zinc/24/76/20/171247620.db2.gz SOGZXDDCXYDZMU-KRWDZBQOSA-N 0 3 269.388 3.999 10 0 CHAEHN Cc1ccc(F)cc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000020595897 171264424 /nfs/dbraw/zinc/26/44/24/171264424.db2.gz OPLZCLRTNLIBKN-KRWDZBQOSA-N 0 3 284.378 3.821 10 0 CHAEHN CCn1cc(CNCc2ccccc2)c2ccccc21 ZINC000020934917 171281802 /nfs/dbraw/zinc/28/18/02/171281802.db2.gz ZSHKBORYBRLSSD-UHFFFAOYSA-N 0 3 264.372 3.951 10 0 CHAEHN CC[C@H]1CCCC[C@@H]1OC[C@@H](N)c1cc(C)ccc1OC ZINC000021030132 171291487 /nfs/dbraw/zinc/29/14/87/171291487.db2.gz GORSDKLCBNDMHW-UAGQMJEPSA-N 0 3 291.435 3.989 10 0 CHAEHN Cc1ccc(C)c([C@@H](N)COc2ccccc2C)c1 ZINC000021501084 171305377 /nfs/dbraw/zinc/30/53/77/171305377.db2.gz YFBGGFVEAQFFKG-INIZCTEOSA-N 0 3 255.361 3.691 10 0 CHAEHN N[C@H]1c2ccccc2CCC[C@@H]1Oc1ccc(F)cc1 ZINC000021505963 171307627 /nfs/dbraw/zinc/30/76/27/171307627.db2.gz PQLABYGEJPXEFW-IRXDYDNUSA-N 0 3 271.335 3.609 10 0 CHAEHN Cc1ccc([C@H](N)COc2cc(C)cc(C)c2)cc1 ZINC000021506387 171308261 /nfs/dbraw/zinc/30/82/61/171308261.db2.gz LITSMIDYRJKVTO-QGZVFWFLSA-N 0 3 255.361 3.691 10 0 CHAEHN Cc1ccc(OC[C@@H](N)c2ccc(C)cc2C)c(C)c1 ZINC000021513562 171311513 /nfs/dbraw/zinc/31/15/13/171311513.db2.gz IZQBBOAZHOVETA-QGZVFWFLSA-N 0 3 269.388 3.999 10 0 CHAEHN Cc1ccc([C@@H](N)COc2ccc(C)c(C)c2)c(C)c1 ZINC000021519139 171315136 /nfs/dbraw/zinc/31/51/36/171315136.db2.gz ZYMXAQBIFVCXMX-SFHVURJKSA-N 0 3 269.388 3.999 10 0 CHAEHN COc1cccc([C@H](N)COc2ccc(C(C)C)cc2)c1 ZINC000021813253 171330388 /nfs/dbraw/zinc/33/03/88/171330388.db2.gz BRBUASHZSTVLTO-GOSISDBHSA-N 0 3 285.387 3.897 10 0 CHAEHN COc1ccc(Oc2cc(CN)ccn2)c(C(C)(C)C)c1 ZINC000022162260 171364113 /nfs/dbraw/zinc/36/41/13/171364113.db2.gz HFUZJDQATZKHND-UHFFFAOYSA-N 0 3 286.375 3.639 10 0 CHAEHN Oc1ccc([C@H](NC2CC2)c2ccc(Cl)cc2)cc1 ZINC000022173209 171368836 /nfs/dbraw/zinc/36/88/36/171368836.db2.gz IWPKYOKSFAMEFH-MRXNPFEDSA-N 0 3 273.763 3.887 10 0 CHAEHN N[C@@H](COc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000022566183 171392162 /nfs/dbraw/zinc/39/21/62/171392162.db2.gz SGDJZOYTNGKMMR-AWEZNQCLSA-N 0 3 281.277 3.784 10 0 CHAEHN CCN[C@@H](C)c1cc(F)ccc1OCCC(C)C ZINC000034842792 171886217 /nfs/dbraw/zinc/88/62/17/171886217.db2.gz ZDMSXHIKEGVQRT-LBPRGKRZSA-N 0 3 253.361 3.921 10 0 CHAEHN C[C@H](NC1=NC[C@H](C)S1)C12CC3CC(CC(C3)C1)C2 ZINC000035294343 172105844 /nfs/dbraw/zinc/10/58/44/172105844.db2.gz IQLZPKMURIDLPX-AJNSSVRESA-N 0 3 278.465 3.672 10 0 CHAEHN Cc1occc1[C@H](N)c1ccc(Cl)c(Cl)c1 ZINC000035382394 172165547 /nfs/dbraw/zinc/16/55/47/172165547.db2.gz PTZVQBWXDZYZAO-GFCCVEGCSA-N 0 3 256.132 3.943 10 0 CHAEHN CCc1ccc([C@@H](NC)c2ccc(C)s2)s1 ZINC000035460533 172209539 /nfs/dbraw/zinc/20/95/39/172209539.db2.gz SKYGCFAXNQTFMC-ZDUSSCGKSA-N 0 3 251.420 3.989 10 0 CHAEHN CN[C@@H](c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000035464331 172212388 /nfs/dbraw/zinc/21/23/88/172212388.db2.gz YXPUAVLORVNOHM-AWEZNQCLSA-N 0 3 267.706 3.927 10 0 CHAEHN CN[C@@H](c1ccccc1)c1cc(F)cc(Br)c1 ZINC000035464877 172212653 /nfs/dbraw/zinc/21/26/53/172212653.db2.gz PEUYKGQCKPGYDA-AWEZNQCLSA-N 0 3 294.167 3.897 10 0 CHAEHN CCOc1ccc([C@H](NC)c2cccc(C)c2)cc1 ZINC000035466540 172214376 /nfs/dbraw/zinc/21/43/76/172214376.db2.gz JGKQQISQPYMIGY-KRWDZBQOSA-N 0 3 255.361 3.703 10 0 CHAEHN CN[C@H](c1c(F)cc(F)cc1F)C1CCCCC1 ZINC000035469529 172220886 /nfs/dbraw/zinc/22/08/86/172220886.db2.gz VASYALJTLKRANV-AWEZNQCLSA-N 0 3 257.299 3.945 10 0 CHAEHN CCCCC[C@@H](NC)c1ccc(OC)cc1OC ZINC000035488801 172223640 /nfs/dbraw/zinc/22/36/40/172223640.db2.gz XYIIYQPTEVJYSN-CQSZACIVSA-N 0 3 251.370 3.545 10 0 CHAEHN CN[C@H](c1cc(C)sc1C)c1ccc(OC)cc1 ZINC000035497776 172231286 /nfs/dbraw/zinc/23/12/86/172231286.db2.gz XVZKSKQACDSAAK-HNNXBMFYSA-N 0 3 261.390 3.682 10 0 CHAEHN CC[C@@H](C)[C@@H](NC)c1cc2c(cc1Cl)OCCCO2 ZINC000035501152 172234662 /nfs/dbraw/zinc/23/46/62/172234662.db2.gz AWHULWFWNZJNGX-MEBBXXQBSA-N 0 3 283.799 3.808 10 0 CHAEHN CCC[C@@H](C)[C@@H](NC)c1cc2c(cc1Cl)OCCO2 ZINC000035501362 172235562 /nfs/dbraw/zinc/23/55/62/172235562.db2.gz FIUHTPYHUQXBPP-MEBBXXQBSA-N 0 3 283.799 3.808 10 0 CHAEHN CCN[C@H](CC(F)(F)F)c1ccc(F)c(F)c1 ZINC000035549133 172256352 /nfs/dbraw/zinc/25/63/52/172256352.db2.gz ZEOBDAPZCKGMOM-SNVBAGLBSA-N 0 3 253.214 3.568 10 0 CHAEHN CCCN[C@@H](Cc1ncc[nH]1)c1cc(Cl)ccc1Cl ZINC000035586669 172285909 /nfs/dbraw/zinc/28/59/09/172285909.db2.gz IIYJLGGIMQUUBI-ZDUSSCGKSA-N 0 3 298.217 4.000 10 0 CHAEHN CCCN[C@@H](c1cccs1)c1ccc(OC)c(F)c1 ZINC000035587143 172286403 /nfs/dbraw/zinc/28/64/03/172286403.db2.gz ATBFMGKGYLUJSW-OAHLLOKOSA-N 0 3 279.380 3.985 10 0 CHAEHN CCCN[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000035652946 172330006 /nfs/dbraw/zinc/33/00/06/172330006.db2.gz MJMGHTSNPRLOGQ-SNVBAGLBSA-N 0 3 260.164 3.817 10 0 CHAEHN CC(C)N[C@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000035654190 172330274 /nfs/dbraw/zinc/33/02/74/172330274.db2.gz KDVQWWQGNMOUFC-NSHDSACASA-N 0 3 260.164 3.815 10 0 CHAEHN CN[C@H](C)c1c(F)cccc1N(C)Cc1cccs1 ZINC000035717654 172371011 /nfs/dbraw/zinc/37/10/11/172371011.db2.gz SWRLTOWNGWXVJX-LLVKDONJSA-N 0 3 278.396 3.804 10 0 CHAEHN CCc1cc(Oc2cc(CN)ccn2)ccc1Cl ZINC000035719868 172373929 /nfs/dbraw/zinc/37/39/29/172373929.db2.gz FHBJCPHWAVICFH-UHFFFAOYSA-N 0 3 262.740 3.548 10 0 CHAEHN CNCc1c(Cl)cccc1N(C)Cc1ccsc1 ZINC000035719620 172373938 /nfs/dbraw/zinc/37/39/38/172373938.db2.gz HLPNVLJLDHXFKR-UHFFFAOYSA-N 0 3 280.824 3.757 10 0 CHAEHN CCC[C@@H](C)N(C)c1ccc(F)cc1CNCC ZINC000036791308 172710984 /nfs/dbraw/zinc/71/09/84/172710984.db2.gz WWSAFMQVVYCIQH-GFCCVEGCSA-N 0 3 252.377 3.560 10 0 CHAEHN CC[C@@H](C)N(CC)[C@@H](CN)c1ccccc1Br ZINC000037112761 172965230 /nfs/dbraw/zinc/96/52/30/172965230.db2.gz CTAQJDKKWQHJTF-RISCZKNCSA-N 0 3 299.256 3.569 10 0 CHAEHN CCN[C@H](C)c1c(F)cccc1N(C)C[C@@H](C)CC ZINC000037173483 173007650 /nfs/dbraw/zinc/00/76/50/173007650.db2.gz BRWATSNCGVNOQZ-QWHCGFSZSA-N 0 3 266.404 3.979 10 0 CHAEHN Cc1nc2sccn2c1CN[C@@H](C)c1ccccc1 ZINC000037185733 173017578 /nfs/dbraw/zinc/01/75/78/173017578.db2.gz YREQHXQRQDDKMM-NSHDSACASA-N 0 3 271.389 3.555 10 0 CHAEHN CCc1ccc([C@H](N)[C@H](C)Oc2ccccc2)cc1 ZINC000037224101 173044363 /nfs/dbraw/zinc/04/43/63/173044363.db2.gz SUEJYFNGOXOYEV-SUMWQHHRSA-N 0 3 255.361 3.716 10 0 CHAEHN COc1ccccc1C[C@H](C)N[C@@H](C)c1ccco1 ZINC000037260338 173070748 /nfs/dbraw/zinc/07/07/48/173070748.db2.gz MJAGZOIWLNEFDO-STQMWFEESA-N 0 3 259.349 3.570 10 0 CHAEHN CC[C@@H](C(=O)c1ccccc1)N(C)C1CCCCC1 ZINC000037333184 173134593 /nfs/dbraw/zinc/13/45/93/173134593.db2.gz PNXZVTCPFIWGFT-INIZCTEOSA-N 0 3 259.393 3.912 10 0 CHAEHN CCCN(C(C)C)[C@@H](C)C(=O)c1ccc(CC)cc1 ZINC000037335224 173136826 /nfs/dbraw/zinc/13/68/26/173136826.db2.gz STWPXDCTGKDXLZ-AWEZNQCLSA-N 0 3 261.409 3.941 10 0 CHAEHN Cc1ccc(C)c(C(=O)[C@H](C)N(C)[C@@H](C)C(C)C)c1 ZINC000037339080 173140329 /nfs/dbraw/zinc/14/03/29/173140329.db2.gz DKPAIKZVSORDKK-GJZGRUSLSA-N 0 3 261.409 3.851 10 0 CHAEHN CCCC[C@H](N)c1nc2cc(C)ccc2n1CCC ZINC000037438268 173208680 /nfs/dbraw/zinc/20/86/80/173208680.db2.gz KVQLDKQKARHYJV-ZDUSSCGKSA-N 0 3 259.397 3.945 10 0 CHAEHN CCn1c([C@H]2CCCCN2)nc2cccc(Cl)c21 ZINC000037444021 173212297 /nfs/dbraw/zinc/21/22/97/173212297.db2.gz LRCZHJNJONFPIC-GFCCVEGCSA-N 0 3 263.772 3.524 10 0 CHAEHN CNCc1ccc(-c2ccc(OC)c(Cl)c2)cc1F ZINC000038073301 174083281 /nfs/dbraw/zinc/08/32/81/174083281.db2.gz ADCVHSDPEFFMTO-UHFFFAOYSA-N 0 3 279.742 3.874 10 0 CHAEHN CC(C)(C)C[C@@H](N)c1ccc(Br)s1 ZINC000040236335 174212162 /nfs/dbraw/zinc/21/21/62/174212162.db2.gz LWZGUMXJJIXHHU-SSDOTTSWSA-N 0 3 262.216 3.947 10 0 CHAEHN CCCNCc1csc(-c2ccc(OCC)cc2)n1 ZINC000040415676 174256064 /nfs/dbraw/zinc/25/60/64/174256064.db2.gz CRNMIVUMQIRUFD-UHFFFAOYSA-N 0 3 276.405 3.708 10 0 CHAEHN CC[C@H](N)c1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000041162403 174503575 /nfs/dbraw/zinc/50/35/75/174503575.db2.gz MYDFSBFGMSGHFP-ZJUUUORDSA-N 0 3 252.427 3.704 10 0 CHAEHN Cc1ccccc1CN(C)[C@H](CN)c1ccc(Cl)s1 ZINC000042307326 174680288 /nfs/dbraw/zinc/68/02/88/174680288.db2.gz LMQBUCYSEUBGGI-CYBMUJFWSA-N 0 3 294.851 3.842 10 0 CHAEHN CC(C)N(CC(F)(F)F)[C@H](CN)c1ccccc1Cl ZINC000042746418 174865256 /nfs/dbraw/zinc/86/52/56/174865256.db2.gz DRRVORAJTNLCTI-GFCCVEGCSA-N 0 3 294.748 3.613 10 0 CHAEHN Cn1cc(CNCc2ccc(F)cc2)c2ccccc21 ZINC000045945021 175387332 /nfs/dbraw/zinc/38/73/32/175387332.db2.gz WNKIQGOJLVYDBS-UHFFFAOYSA-N 0 3 268.335 3.607 10 0 CHAEHN CC(C)(C)[C@@H]1NCCc2c(F)ccc(Br)c21 ZINC000070821346 176007728 /nfs/dbraw/zinc/00/77/28/176007728.db2.gz ZBVQIJKQDVDCPI-GFCCVEGCSA-N 0 3 286.188 3.821 10 0 CHAEHN Brc1ccc2c(c1)CN[C@H](c1ccccc1)C2 ZINC000071187279 176060532 /nfs/dbraw/zinc/06/05/32/176060532.db2.gz DGBNQVUWSKMOEJ-HNNXBMFYSA-N 0 3 288.188 3.836 10 0 CHAEHN CC(C)c1ccc(CNC2=NC[C@H](C3CC3)S2)cc1 ZINC000071307826 176116022 /nfs/dbraw/zinc/11/60/22/176116022.db2.gz WEQITUQGJHNYAN-OAHLLOKOSA-N 0 3 274.433 3.781 10 0 CHAEHN Cc1ccc(OCc2cc(C)cc(C)c2)c(CN)c1 ZINC000071403199 176154606 /nfs/dbraw/zinc/15/46/06/176154606.db2.gz WMQXWQPOFUGGME-UHFFFAOYSA-N 0 3 255.361 3.650 10 0 CHAEHN COc1ccc2c(c1)C(C)(C)CN[C@@H]2c1cccc(F)c1 ZINC000071642242 176239131 /nfs/dbraw/zinc/23/91/31/176239131.db2.gz KJBMAYGQBXZYOK-QGZVFWFLSA-N 0 3 285.362 3.805 10 0 CHAEHN COc1ccc2c(c1)C1(CCCC1)CN[C@H]2c1ccncc1 ZINC000071650240 176240473 /nfs/dbraw/zinc/24/04/73/176240473.db2.gz HZORMXRJBDHPLE-SFHVURJKSA-N 0 3 294.398 3.595 10 0 CHAEHN COc1ccc2c(c1)C1(CCCC1)CN[C@@H]2c1ccncc1 ZINC000071650239 176240726 /nfs/dbraw/zinc/24/07/26/176240726.db2.gz HZORMXRJBDHPLE-GOSISDBHSA-N 0 3 294.398 3.595 10 0 CHAEHN CN1C[C@H]2CCC[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC000072112635 176317588 /nfs/dbraw/zinc/31/75/88/176317588.db2.gz RCJIOMDJRBCHJE-RISCZKNCSA-N 0 3 270.203 3.977 10 0 CHAEHN CC[C@H](C)C[C@@H](C)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000088292460 260231349 /nfs/dbraw/zinc/23/13/49/260231349.db2.gz GYFRJTFKVOZKNG-GZBFAFLISA-N 0 3 274.408 3.509 10 0 CHAEHN Cc1ccccc1[C@H](C)NCc1cncn1C(C)C ZINC000090207640 260239147 /nfs/dbraw/zinc/23/91/47/260239147.db2.gz RJFLDTQARGSSOD-AWEZNQCLSA-N 0 3 257.381 3.623 10 0 CHAEHN CCCC[C@H](CC)CNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000130311612 260395710 /nfs/dbraw/zinc/39/57/10/260395710.db2.gz NMQAPUWDZLOTNK-ZOBUZTSGSA-N 0 3 290.451 3.655 10 0 CHAEHN CC[C@H](C)[C@@H](C)N(Cc1nc(-c2ccoc2)no1)C1CC1 ZINC000105717588 261315783 /nfs/dbraw/zinc/31/57/83/261315783.db2.gz SLTMPLVZQNRRGM-NWDGAFQWSA-N 0 3 289.379 3.729 10 0 CHAEHN CCc1ccc([C@@H](C)N[C@@H](CN(C)C)c2ccccc2)o1 ZINC000163873840 261333010 /nfs/dbraw/zinc/33/30/10/261333010.db2.gz OIVMDLMGKIAXEU-PBHICJAKSA-N 0 3 286.419 3.796 10 0 CHAEHN CC(C)CCOc1ccc(CN[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000020549341 262249218 /nfs/dbraw/zinc/24/92/18/262249218.db2.gz PZQUGNNDJZIKJZ-YJBOKZPZSA-N 0 3 291.435 3.769 10 0 CHAEHN COc1cc(CN[C@@H]2CCCc3sccc32)ccc1O ZINC000061330957 262394216 /nfs/dbraw/zinc/39/42/16/262394216.db2.gz XBPMDRDQSFDIKD-CYBMUJFWSA-N 0 3 289.400 3.630 10 0 CHAEHN CCn1nc(C)c([C@H](C)NCc2cscc2C)c1C ZINC000094878018 262475500 /nfs/dbraw/zinc/47/55/00/262475500.db2.gz CQGCRMXMFGQTTR-NSHDSACASA-N 0 3 277.437 3.741 10 0 CHAEHN CCn1nc(C)c([C@H](C)N[C@@H]2CCCC(F)(F)C2)c1C ZINC000358296932 266450739 /nfs/dbraw/zinc/45/07/39/266450739.db2.gz LEOZBSKSKMELIO-GXFFZTMASA-N 0 3 285.382 3.748 10 0 CHAEHN C[C@@H](NC[C@@H]1[C@H]2COC[C@H]21)c1cccc(Cl)c1Cl ZINC000376066416 327712998 /nfs/dbraw/zinc/71/29/98/327712998.db2.gz JUAMSZXSYVKCDG-HKWIRBFKSA-N 0 3 286.202 3.536 10 0 CHAEHN C[C@H](c1ccc(F)cc1F)N1CCNCc2ccccc21 ZINC000062818206 327895601 /nfs/dbraw/zinc/89/56/01/327895601.db2.gz MHDRQCUJCWCNAY-GFCCVEGCSA-N 0 3 288.341 3.636 10 0 CHAEHN CCC[C@@H]1C[C@H]1N[C@H](C)c1ccc(Br)cn1 ZINC000310041788 328067969 /nfs/dbraw/zinc/06/79/69/328067969.db2.gz YZHXUFSQWJPVCN-GIPNMCIBSA-N 0 3 283.213 3.683 10 0 CHAEHN C[C@H](NC1CC(c2ccccc2Cl)C1)c1ncc[nH]1 ZINC000139017070 328101491 /nfs/dbraw/zinc/10/14/91/328101491.db2.gz ZXVJVYTYRZNOKB-UNXYVOJBSA-N 0 3 275.783 3.660 10 0 CHAEHN CCCC(=O)N[C@H]1CCCN([C@@H](CC)c2ccccc2)C1 ZINC000101563086 328356816 /nfs/dbraw/zinc/35/68/16/328356816.db2.gz BMRYWXOSHJQJSC-IRXDYDNUSA-N 0 3 288.435 3.518 10 0 CHAEHN O[C@H]1CCCC[C@H]1CNCc1cc(Cl)ccc1Cl ZINC000087759502 327006518 /nfs/dbraw/zinc/00/65/18/327006518.db2.gz VQIXBYHJNYKAGL-HZMBPMFUSA-N 0 3 288.218 3.634 10 0 CHAEHN CCn1cncc1CN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000090170970 327145069 /nfs/dbraw/zinc/14/50/69/327145069.db2.gz XQFULBSIUNFGAB-AWEZNQCLSA-N 0 3 271.408 3.877 10 0 CHAEHN C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(Cl)s1 ZINC000178354826 329199065 /nfs/dbraw/zinc/19/90/65/329199065.db2.gz YEHLCJAOHLULPM-UAKXVISKSA-N 0 3 293.819 3.710 10 0 CHAEHN Cc1ccc(N2CCC[C@H](N[C@H](C)c3ccccn3)C2)cc1 ZINC000245956756 329762315 /nfs/dbraw/zinc/76/23/15/329762315.db2.gz UDMMVTPNEUFVIE-SJORKVTESA-N 0 3 295.430 3.710 10 0 CHAEHN C[C@H](N[C@H]1CCO[C@@H](C2CC2)C1)c1cccc(F)c1F ZINC000248832677 329900289 /nfs/dbraw/zinc/90/02/89/329900289.db2.gz MRPMXLACHBPTOO-ITDIGPHOSA-N 0 3 281.346 3.573 10 0 CHAEHN COc1ccccc1/C=C/CN[C@@H](C)c1cccc(O)c1 ZINC000105461278 330326516 /nfs/dbraw/zinc/32/65/16/330326516.db2.gz YPCKUTDFZTWHMV-MRZGDXHCSA-N 0 3 283.371 3.765 10 0 CHAEHN CCCn1cc(CN[C@H](C)c2ccc(CC)cc2)cn1 ZINC000116912109 330361375 /nfs/dbraw/zinc/36/13/75/330361375.db2.gz FNRGANUBEAAIDB-CQSZACIVSA-N 0 3 271.408 3.706 10 0 CHAEHN CCn1c2ccccc2nc1[C@@H](C)N[C@H](C)C1CCC1 ZINC000090037122 330390010 /nfs/dbraw/zinc/39/00/10/330390010.db2.gz DFFWCCJZJUUEOG-CHWSQXEVSA-N 0 3 271.408 3.895 10 0 CHAEHN Cc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000090226483 330391649 /nfs/dbraw/zinc/39/16/49/330391649.db2.gz HJHMZLMFDKKHKM-ZNMIVQPWSA-N 0 3 290.455 3.616 10 0 CHAEHN CCCCOC[C@H](O)CN[C@@H](CC)c1cccc(Cl)c1 ZINC000195211130 331158604 /nfs/dbraw/zinc/15/86/04/331158604.db2.gz WZIFASYDAGESCZ-CVEARBPZSA-N 0 3 299.842 3.558 10 0 CHAEHN CC[C@@H](CCO)N[C@H](c1ccccc1)c1ccccc1C ZINC000166093177 331306643 /nfs/dbraw/zinc/30/66/43/331306643.db2.gz BECVCGDBTLFJTQ-PKOBYXMFSA-N 0 3 283.415 3.835 10 0 CHAEHN COc1ccc([C@H](C)N[C@@H](C)COCc2ccccc2)cc1 ZINC000178065989 333067411 /nfs/dbraw/zinc/06/74/11/333067411.db2.gz SEIFOEIVUDXLCY-HOTGVXAUSA-N 0 3 299.414 3.951 10 0 CHAEHN Cc1ccc([C@@H](C)NCCn2cc(Cl)cn2)c(C)c1 ZINC000311850475 333073310 /nfs/dbraw/zinc/07/33/10/333073310.db2.gz VVZZZVOJJBHODY-CYBMUJFWSA-N 0 3 277.799 3.504 10 0 CHAEHN C[C@@H]1C[C@H](N[C@@H](CCO)c2ccco2)CC(C)(C)C1 ZINC000186561130 333162695 /nfs/dbraw/zinc/16/26/95/333162695.db2.gz RYLQSWXBWPNYTE-RDBSUJKOSA-N 0 3 265.397 3.508 10 0 CHAEHN Cc1ccccc1[C@H](N[C@@H](C)C[C@@H](C)O)c1ccccc1 ZINC000228065988 333294122 /nfs/dbraw/zinc/29/41/22/333294122.db2.gz JNQYAMPFNFZQSK-FRQCXROJSA-N 0 3 283.415 3.833 10 0 CHAEHN C[C@H](NC[C@@H](O)CC1CCCC1)c1cccc(Cl)c1 ZINC000232129531 333334022 /nfs/dbraw/zinc/33/40/22/333334022.db2.gz ZLZUFRMRTDTOGS-LRDDRELGSA-N 0 3 281.827 3.932 10 0 CHAEHN C[C@@H](N[C@@H](C)C12CC3CC(CC(C3)C1)C2)c1cnccn1 ZINC000070477152 333813029 /nfs/dbraw/zinc/81/30/29/333813029.db2.gz QLMODFYCIMBSQP-LSZNHBMWSA-N 0 3 285.435 3.732 10 0 CHAEHN Cc1ccccc1C1CC(N[C@H]2COc3ccccc32)C1 ZINC000070529426 333814988 /nfs/dbraw/zinc/81/49/88/333814988.db2.gz WXMHTXUZYCJTFP-JMLCCBQJSA-N 0 3 279.383 3.964 10 0 CHAEHN Cc1csc([C@@H]2CCCN([C@H](C)c3ccccn3)C2)n1 ZINC000246410729 334256784 /nfs/dbraw/zinc/25/67/84/334256784.db2.gz RGRVQQHQEPJYHL-ZIAGYGMSSA-N 0 3 287.432 3.787 10 0 CHAEHN C[C@H](c1ccc(F)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247927188 334291435 /nfs/dbraw/zinc/29/14/35/334291435.db2.gz BSKHSUUHUOTDKH-KMFMINBZSA-N 0 3 277.383 3.514 10 0 CHAEHN C[C@@H](N[C@@H](C)c1ccc(F)c(Cl)c1)[C@H]1CCCO1 ZINC000248532283 334304979 /nfs/dbraw/zinc/30/49/79/334304979.db2.gz QKNWBKHCVZPZOO-IMSIIYSGSA-N 0 3 271.763 3.697 10 0 CHAEHN C[C@@H](N[C@@H](C)c1cccc(Cl)c1F)[C@H]1CCCO1 ZINC000248562872 334306451 /nfs/dbraw/zinc/30/64/51/334306451.db2.gz NRMKFGSKRGNJHI-OPQQBVKSSA-N 0 3 271.763 3.697 10 0 CHAEHN C[C@@H]1C[C@@H]1N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000251742376 334368657 /nfs/dbraw/zinc/36/86/57/334368657.db2.gz CVMZVQHZGXAKEF-OAUYIBNBSA-N 0 3 255.336 3.913 10 0 CHAEHN CC[C@H](C)C[C@@H](C)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000251751172 334368909 /nfs/dbraw/zinc/36/89/09/334368909.db2.gz GYFRJTFKVOZKNG-GUTXKFCHSA-N 0 3 274.408 3.509 10 0 CHAEHN CC[C@H](NC[C@H](O)COC(C)(C)C)c1cccc(Cl)c1 ZINC000182602989 335829647 /nfs/dbraw/zinc/82/96/47/335829647.db2.gz NWMCOIAMUYKTRU-GJZGRUSLSA-N 0 3 299.842 3.557 10 0 CHAEHN CC(C)NCc1cnc(N(C)[C@H](C)C(C)(C)C)s1 ZINC000054906419 519728507 /nfs/dbraw/zinc/72/85/07/519728507.db2.gz RDITXQYSBLFTTG-LLVKDONJSA-N 0 3 269.458 3.512 10 0 CHAEHN CC(C)CN1C[C@@H](c2ccccc2)NCc2ccccc21 ZINC000062671270 519732497 /nfs/dbraw/zinc/73/24/97/519732497.db2.gz CFIKNFXYTGWRIQ-SFHVURJKSA-N 0 3 280.415 3.994 10 0 CHAEHN CC(C)[C@@H]1CCc2nc([C@H]3CCCCN3)sc2C1 ZINC000054556895 519803539 /nfs/dbraw/zinc/80/35/39/519803539.db2.gz ODEWLEPAFFSKES-DGCLKSJQSA-N 0 3 264.438 3.719 10 0 CHAEHN CCCC1CCC(NC2=N[C@@H](CC)CS2)CC1 ZINC000049546571 519898180 /nfs/dbraw/zinc/89/81/80/519898180.db2.gz WYVUZRQUKYCFOW-CPCZMJQVSA-N 0 3 254.443 3.816 10 0 CHAEHN CCNCc1cnc(N(CC)CC(CC)CC)s1 ZINC000054907613 520015083 /nfs/dbraw/zinc/01/50/83/520015083.db2.gz BFBIDCPKWDNUCX-UHFFFAOYSA-N 0 3 269.458 3.515 10 0 CHAEHN CCN[C@H](C)c1cnn(Cc2c(Cl)cccc2Cl)c1 ZINC000054721248 520181472 /nfs/dbraw/zinc/18/14/72/520181472.db2.gz FPRRFSCKBULOCK-SNVBAGLBSA-N 0 3 298.217 3.909 10 0 CHAEHN CCCNc1ncccc1CN(CCC)CC1CC1 ZINC000052725482 520193835 /nfs/dbraw/zinc/19/38/35/520193835.db2.gz UPQZNYXRTRNSEO-UHFFFAOYSA-N 0 3 261.413 3.526 10 0 CHAEHN CCC(=O)CCN1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000190251030 521074176 /nfs/dbraw/zinc/07/41/76/521074176.db2.gz ZLIGVLZKHZAKFJ-CYBMUJFWSA-N 0 3 294.464 3.815 10 0 CHAEHN CCOc1ccc([C@H](N)c2cc(F)ccc2C)cc1 ZINC000055228365 521264240 /nfs/dbraw/zinc/26/42/40/521264240.db2.gz IOQYHICCPMJOPH-INIZCTEOSA-N 0 3 259.324 3.581 10 0 CHAEHN CCOc1ccccc1[C@@H](NC)c1ccccc1C ZINC000055240603 521580002 /nfs/dbraw/zinc/58/00/02/521580002.db2.gz HVFHNTLGSULWHP-KRWDZBQOSA-N 0 3 255.361 3.703 10 0 CHAEHN CNCc1cc(Cl)cc(Cl)c1OCCOC(C)C ZINC000049259149 522111030 /nfs/dbraw/zinc/11/10/30/522111030.db2.gz IVZOSCKCPDUFQG-UHFFFAOYSA-N 0 3 292.206 3.517 10 0 CHAEHN CNCc1ccoc1CO[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000052629232 522144218 /nfs/dbraw/zinc/14/42/18/522144218.db2.gz RGJNICXRDMZEFZ-JSGCOSHPSA-N 0 3 265.397 3.730 10 0 CHAEHN CNCc1coc(COc2cc(Cl)cc(Cl)c2)c1 ZINC000052701140 522148588 /nfs/dbraw/zinc/14/85/88/522148588.db2.gz HAXOTMWGCFIBJN-UHFFFAOYSA-N 0 3 286.158 3.885 10 0 CHAEHN CN[C@H](c1ccc(OC)cc1)c1ccc(F)c(Cl)c1 ZINC000062792342 522479548 /nfs/dbraw/zinc/47/95/48/522479548.db2.gz XIMKCQYZMBPRLD-OAHLLOKOSA-N 0 3 279.742 3.797 10 0 CHAEHN CC[C@@H](NCCn1cc(C)cn1)c1cccc(Cl)c1F ZINC000161780895 522844719 /nfs/dbraw/zinc/84/47/19/522844719.db2.gz FDHHMDDSYNHFMQ-CQSZACIVSA-N 0 3 295.789 3.725 10 0 CHAEHN CC[C@@H]1CCCC[C@H]1OCc1cc(CNC)c(C)o1 ZINC000052621569 523227892 /nfs/dbraw/zinc/22/78/92/523227892.db2.gz VFRUDQGCLSGSPV-CZUORRHYSA-N 0 3 265.397 3.793 10 0 CHAEHN CC[C@@H]1CSC(NCc2ccccc2C(F)(F)F)=N1 ZINC000061627318 523519183 /nfs/dbraw/zinc/51/91/83/523519183.db2.gz GXTDIISAPBQCDS-SNVBAGLBSA-N 0 3 288.338 3.676 10 0 CHAEHN C[C@H]1CCC[C@H](N(C)c2cc(Cl)ccc2CN)C1 ZINC000062786920 524201615 /nfs/dbraw/zinc/20/16/15/524201615.db2.gz FDDILKLMXSRMBB-FZMZJTMJSA-N 0 3 266.816 3.814 10 0 CHAEHN C[C@H]1CN(CCCc2ccccc2)c2ccccc2CN1 ZINC000062671260 524593308 /nfs/dbraw/zinc/59/33/08/524593308.db2.gz YRGKXWNHMMGTPA-INIZCTEOSA-N 0 3 280.415 3.618 10 0 CHAEHN Cc1cc(CN[C@H](C)c2ccccc2C)c(C)n1C ZINC000052789691 524776344 /nfs/dbraw/zinc/77/63/44/524776344.db2.gz DLIFFTZIXFUVHT-CQSZACIVSA-N 0 3 256.393 3.801 10 0 CHAEHN Cc1cc(CN[C@H](C)c2sc(C)nc2C)c(C)n1C ZINC000052790414 524777917 /nfs/dbraw/zinc/77/79/17/524777917.db2.gz ATKVJIQJUMKTDV-SNVBAGLBSA-N 0 3 277.437 3.566 10 0 CHAEHN C[C@@H]1CN(Cc2ccccc2Cl)c2ccccc2CN1 ZINC000062673116 525016332 /nfs/dbraw/zinc/01/63/32/525016332.db2.gz JTNWNHZOAOCTHM-CYBMUJFWSA-N 0 3 286.806 3.838 10 0 CHAEHN Cc1ccccc1N(C)c1nc2c(s1)[C@H](N)CCC2 ZINC000054897519 525217604 /nfs/dbraw/zinc/21/76/04/525217604.db2.gz QMXOKHNQZNWCPX-LLVKDONJSA-N 0 3 273.405 3.556 10 0 CHAEHN C[C@@H](N[C@@H](C)c1cccc(-n2ccnc2)c1)c1ccncc1 ZINC000156721102 525611604 /nfs/dbraw/zinc/61/16/04/525611604.db2.gz SHHPBHCSTPTKMG-CABCVRRESA-N 0 3 292.386 3.679 10 0 CHAEHN Cc1ccsc1[C@H](N)c1cccc(OC(C)C)c1 ZINC000061666333 525891504 /nfs/dbraw/zinc/89/15/04/525891504.db2.gz GYKJFLFLBDQETH-CQSZACIVSA-N 0 3 261.390 3.892 10 0 CHAEHN Cc1ccc([C@](C)(N)c2cc(F)ccc2F)cc1C ZINC000055242837 526049694 /nfs/dbraw/zinc/04/96/94/526049694.db2.gz QHNAJOMKLJXEFT-INIZCTEOSA-N 0 3 261.315 3.804 10 0 CHAEHN Clc1ccc(Oc2ccnc(CNC3CC3)c2)cc1 ZINC000051547429 526959106 /nfs/dbraw/zinc/95/91/06/526959106.db2.gz VBTROKBDPJGBSN-UHFFFAOYSA-N 0 3 274.751 3.779 10 0 CHAEHN NCc1ccc(Cl)cc1N(Cc1ccco1)C1CC1 ZINC000062786994 527253314 /nfs/dbraw/zinc/25/33/14/527253314.db2.gz YCTCPYQZQSLIQL-UHFFFAOYSA-N 0 3 276.767 3.561 10 0 CHAEHN CNCc1ccccc1OCc1c(F)cccc1Cl ZINC000019777220 567944735 /nfs/dbraw/zinc/94/47/35/567944735.db2.gz ASTICENOLFALIL-UHFFFAOYSA-N 0 3 279.742 3.778 10 0 CHAEHN CC(C)NCc1cc(Br)ccc1OC(C)C ZINC000034659978 567888620 /nfs/dbraw/zinc/88/86/20/567888620.db2.gz RTTWGDLQHDNFRB-UHFFFAOYSA-N 0 3 286.213 3.734 10 0 CHAEHN Cc1noc(C)c1CNCCC1CCC(C)CC1 ZINC000070538446 567888632 /nfs/dbraw/zinc/88/86/32/567888632.db2.gz QDEBYOJANANJOA-UHFFFAOYSA-N 0 3 250.386 3.597 10 0 CHAEHN CNCc1ccc2ccccc2c1NC(=O)OC(C)(C)C ZINC000725246216 567908180 /nfs/dbraw/zinc/90/81/80/567908180.db2.gz RYFDQQNYURMPBP-UHFFFAOYSA-N 0 3 286.375 3.906 10 0 CHAEHN CCCCNCc1cc(Cl)nc(C(F)(F)F)c1 ZINC000725269647 567924426 /nfs/dbraw/zinc/92/44/26/567924426.db2.gz BSQSQEOMHOQFOM-UHFFFAOYSA-N 0 3 266.694 3.644 10 0 CHAEHN C[C@@H]1CCC[C@@H](C)N1Cc1cc(N)ccc1Br ZINC000128346498 567929289 /nfs/dbraw/zinc/92/92/89/567929289.db2.gz ZOFMEQCFXWRAIX-GHMZBOCLSA-N 0 3 297.240 3.794 10 0 CHAEHN CC1CCC(CC[NH2+]Cc2ccc([O-])cc2F)CC1 ZINC000404219473 570237513 /nfs/dbraw/zinc/23/75/13/570237513.db2.gz JSOGWLLAVPFILH-UHFFFAOYSA-N 0 3 265.372 3.837 10 0 CHAEHN CC[C@@H](N[C@H]1CCCc2n[nH]cc21)c1cccs1 ZINC000368606804 1118057800 /nfs/dbraw/zinc/05/78/00/1118057800.db2.gz FZIWBHUZSMQUDU-NEPJUHHUSA-N 0 3 261.394 3.590 10 0 CHAEHN Clc1ncccc1CN1CCCC12CCCC2 ZINC000310396822 1120450586 /nfs/dbraw/zinc/45/05/86/1120450586.db2.gz JVSDPQYKCOUARX-UHFFFAOYSA-N 0 3 250.773 3.644 10 0 CHAEHN COc1c(C)cc(CN[C@@H](C)c2cccc(O)c2)cc1C ZINC000105461039 1123051977 /nfs/dbraw/zinc/05/19/77/1123051977.db2.gz YZRIBQUZALQOCV-AWEZNQCLSA-N 0 3 285.387 3.868 10 0 CHAEHN CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CC(C)C)CN1 ZINC000095642336 185017218 /nfs/dbraw/zinc/01/72/18/185017218.db2.gz NBBAXAIIMROXQY-HUUCEWRRSA-N 0 3 298.471 3.656 10 0 CHAEHN CC(C)c1nc(N2CCC[C@@H](C)C2)sc1CNC1CC1 ZINC000082434828 178012200 /nfs/dbraw/zinc/01/22/00/178012200.db2.gz LHANSJLQNZQMOO-GFCCVEGCSA-N 0 3 293.480 3.755 10 0 CHAEHN CNCc1sc(CCc2ccccc2)nc1C1CC1 ZINC000082438269 178016358 /nfs/dbraw/zinc/01/63/58/178016358.db2.gz KUBXRGLBVWAEKA-UHFFFAOYSA-N 0 3 272.417 3.525 10 0 CHAEHN CC(C)(C)c1nc(-c2c(F)cccc2F)sc1CN ZINC000082439325 178017567 /nfs/dbraw/zinc/01/75/67/178017567.db2.gz IVNQEGBKAWQLKN-UHFFFAOYSA-N 0 3 282.359 3.845 10 0 CHAEHN CCN[C@H]1CC(CC)(CC)Oc2cc(OC)ccc21 ZINC000082508431 178073972 /nfs/dbraw/zinc/07/39/72/178073972.db2.gz IMVONUDJTJPRSP-AWEZNQCLSA-N 0 3 263.381 3.687 10 0 CHAEHN COc1cc(CC(C)C)c(OC)c2c1C(C)(C)CN[C@@H]2C ZINC000096889027 185123985 /nfs/dbraw/zinc/12/39/85/185123985.db2.gz PRDZQBPZMSSKDM-GFCCVEGCSA-N 0 3 291.435 3.844 10 0 CHAEHN CN[C@H](C(=O)c1ccc(SC(C)C)cc1)C(C)C ZINC000096891008 185124727 /nfs/dbraw/zinc/12/47/27/185124727.db2.gz MXZNSKUSOHWQFY-AWEZNQCLSA-N 0 3 265.422 3.614 10 0 CHAEHN NCc1c(Sc2ccccc2Cl)nc2sccn21 ZINC000104289683 185956278 /nfs/dbraw/zinc/95/62/78/185956278.db2.gz GPHYQWOJPDVRHD-UHFFFAOYSA-N 0 3 295.820 3.659 10 0 CHAEHN Cc1cc(NCCOCC(C)C)c2ccccc2n1 ZINC000132309767 260495856 /nfs/dbraw/zinc/49/58/56/260495856.db2.gz PBMQYCSGXSQKST-UHFFFAOYSA-N 0 3 258.365 3.628 10 0 CHAEHN Cc1cc(C)c(CN2CCC[C@H]2c2cnn(C)c2)c(C)c1 ZINC000171410419 335065072 /nfs/dbraw/zinc/06/50/72/335065072.db2.gz JETSYSFWLZZQCC-SFHVURJKSA-N 0 3 283.419 3.682 10 0 CHAEHN CNCc1ccccc1Sc1ccccc1OC ZINC000005525978 170108500 /nfs/dbraw/zinc/10/85/00/170108500.db2.gz YLQNDHNDAITYDQ-UHFFFAOYSA-N 0 3 259.374 3.566 10 0 CHAEHN CN(C)C[C@@H](c1ccccc1Cl)C1(O)CCCCC1 ZINC000005958016 170162528 /nfs/dbraw/zinc/16/25/28/170162528.db2.gz OVSAXOVRTVDPOU-AWEZNQCLSA-N 0 3 281.827 3.680 10 0 in-vitro CHAEHN O[C@]1(c2cccc(C(F)(F)F)c2)CCN2CCCC[C@@H]2C1 ZINC000006092339 170174960 /nfs/dbraw/zinc/17/49/60/170174960.db2.gz OABKVAHOXRFSNU-HUUCEWRRSA-N 0 3 299.336 3.541 10 0 CHAEHN CN(C)C[C@@H](N[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000020129374 171017132 /nfs/dbraw/zinc/01/71/32/171017132.db2.gz LYZGRXOZMSWMMN-RTBURBONSA-N 0 3 280.415 3.566 10 0 CHAEHN c1ccc2c(c1)CCCC[C@@H]2NCc1ccncc1 ZINC000020139777 171026584 /nfs/dbraw/zinc/02/65/84/171026584.db2.gz NZHHXHKANWDIQI-KRWDZBQOSA-N 0 3 252.361 3.639 10 0 CHAEHN Cc1ccccc1[C@@H](CN)N(C)Cc1ccccc1Cl ZINC000020225443 171088192 /nfs/dbraw/zinc/08/81/92/171088192.db2.gz INELDZNAPZGPDE-QGZVFWFLSA-N 0 3 288.822 3.780 10 0 CHAEHN CN(Cc1cccc(Cl)c1)[C@H](CN)c1ccc(F)cc1 ZINC000020225663 171088538 /nfs/dbraw/zinc/08/85/38/171088538.db2.gz SHOYVJILHKSGGD-MRXNPFEDSA-N 0 3 292.785 3.611 10 0 CHAEHN CC[C@@H]([C@@H](N)c1ccccc1)n1ccnc1C(C)C ZINC000020261734 171119364 /nfs/dbraw/zinc/11/93/64/171119364.db2.gz RQVDLAMZPFDPNM-GJZGRUSLSA-N 0 3 257.381 3.658 10 0 CHAEHN CC[C@@H](Oc1cccc(F)c1)[C@@H](N)c1ccccc1 ZINC000020262676 171121040 /nfs/dbraw/zinc/12/10/40/171121040.db2.gz GTAPERSFEWYTTF-CVEARBPZSA-N 0 3 259.324 3.683 10 0 CHAEHN C[C@@H](N)c1ccc(-c2ccccc2Br)o1 ZINC000020267850 171124264 /nfs/dbraw/zinc/12/42/64/171124264.db2.gz QBZXFNJDGJCAPC-MRVPVSSYSA-N 0 3 266.138 3.729 10 0 CHAEHN C[C@@H](N)c1ccc(-c2ccc(Br)cc2)o1 ZINC000020267856 171124445 /nfs/dbraw/zinc/12/44/45/171124445.db2.gz WALDUVZAIGZEQG-MRVPVSSYSA-N 0 3 266.138 3.729 10 0 CHAEHN CC(C)c1ccc(COc2ccccc2CN)cc1 ZINC000020352397 171157000 /nfs/dbraw/zinc/15/70/00/171157000.db2.gz PZMIMJKXNDSHLP-UHFFFAOYSA-N 0 3 255.361 3.848 10 0 CHAEHN N[C@@H](c1ccc2c(c1)CCC2)c1ccccc1Cl ZINC000020384731 171174999 /nfs/dbraw/zinc/17/49/99/171174999.db2.gz ZTMFMXIKTHXQQX-INIZCTEOSA-N 0 3 257.764 3.877 10 0 CHAEHN Cc1ccc([C@@H](N)c2ccc3c(c2)CCC3)cc1C ZINC000020384808 171175079 /nfs/dbraw/zinc/17/50/79/171175079.db2.gz IIDSNLJYUZUMQH-GOSISDBHSA-N 0 3 251.373 3.840 10 0 CHAEHN Cc1cc([C@@H](N)c2ccc3c(c2)CCC3)c(C)s1 ZINC000020431438 171196004 /nfs/dbraw/zinc/19/60/04/171196004.db2.gz DJCHMPBPGOUWHM-INIZCTEOSA-N 0 3 257.402 3.902 10 0 CHAEHN N=C1CCCN1c1ccc(Cl)cc1C(F)(F)F ZINC000020443934 171205505 /nfs/dbraw/zinc/20/55/05/171205505.db2.gz QEDZWQVPSJCIFH-UHFFFAOYSA-N 0 3 262.662 3.936 10 0 CHAEHN Cc1ccc(NC(=O)C[C@@H](N)c2ccccc2)c(Cl)c1 ZINC000020471401 171214079 /nfs/dbraw/zinc/21/40/79/171214079.db2.gz WKCBAFMGCNYSLM-CQSZACIVSA-N 0 3 288.778 3.677 10 0 CHAEHN CC(C)[C@@H](Oc1ccc(F)cc1)[C@H](N)c1ccccc1 ZINC000020547794 171245115 /nfs/dbraw/zinc/24/51/15/171245115.db2.gz WHKAURLHIPDHES-IAGOWNOFSA-N 0 3 273.351 3.929 10 0 CHAEHN Cc1ccc(O[C@H]2CCCc3ccccc3[C@H]2N)cc1 ZINC000020547939 171245300 /nfs/dbraw/zinc/24/53/00/171245300.db2.gz BZHHXCZEVPQNKY-ZWKOTPCHSA-N 0 3 267.372 3.779 10 0 CHAEHN C[C@@H]1[C@@H](C)CCC[C@@H]1NCc1c(F)cccc1F ZINC000020565013 171253425 /nfs/dbraw/zinc/25/34/25/171253425.db2.gz VTEZYVFOBPZBAZ-RWSFTLGLSA-N 0 3 253.336 3.879 10 0 CHAEHN Cc1ccc([C@H](N)COc2ccc(C)c(C)c2)cc1 ZINC000020565396 171254132 /nfs/dbraw/zinc/25/41/32/171254132.db2.gz XIIJSCTUAWKQHW-QGZVFWFLSA-N 0 3 255.361 3.691 10 0 CHAEHN Nc1cnccc1Nc1ccc(Cl)c(Cl)c1 ZINC000020585345 171258690 /nfs/dbraw/zinc/25/86/90/171258690.db2.gz DIBCPSCGIMKKHX-UHFFFAOYSA-N 0 3 254.120 3.714 10 0 CHAEHN CCC(CC)[C@@H](N)c1cc(Br)ccc1OC ZINC000020586938 171259561 /nfs/dbraw/zinc/25/95/61/171259561.db2.gz LHKIJPFBZUMGHL-CYBMUJFWSA-N 0 3 286.213 3.894 10 0 CHAEHN CCC[C@H](C)[C@@H](N)c1cc(Br)ccc1OC ZINC000020586579 171259578 /nfs/dbraw/zinc/25/95/78/171259578.db2.gz YVJKADJSVWZNAR-TVQRCGJNSA-N 0 3 286.213 3.894 10 0 CHAEHN Cc1ccc(F)c(N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000020596026 171264383 /nfs/dbraw/zinc/26/43/83/171264383.db2.gz PEWRIIUESRCSIC-MRXNPFEDSA-N 0 3 284.378 3.821 10 0 CHAEHN CCCCOCCCNCc1ccccc1OCCC ZINC000020924628 171279989 /nfs/dbraw/zinc/27/99/89/171279989.db2.gz XSWSPASWGNQBQW-UHFFFAOYSA-N 0 3 279.424 3.772 10 0 CHAEHN Cc1cccc(OC[C@@H](N)c2c(C)cc(C)cc2C)c1 ZINC000021057626 171296090 /nfs/dbraw/zinc/29/60/90/171296090.db2.gz KHSHBFMLQYVLEY-QGZVFWFLSA-N 0 3 269.388 3.999 10 0 CHAEHN Cc1ccc(OC[C@@H](N)c2ccc(C)c(C)c2)cc1 ZINC000021814392 171331832 /nfs/dbraw/zinc/33/18/32/171331832.db2.gz VBGFLMCBIKLIHH-QGZVFWFLSA-N 0 3 255.361 3.691 10 0 CHAEHN Cc1cc(C)c([C@@H](N)COC2CCCCC2)c(C)c1 ZINC000021815758 171332030 /nfs/dbraw/zinc/33/20/30/171332030.db2.gz GHFUILDJKGTKTE-INIZCTEOSA-N 0 3 261.409 3.961 10 0 CHAEHN C[C@H]1CCCCN1[C@@H](CN)c1ccccc1C(F)(F)F ZINC000022210860 171373399 /nfs/dbraw/zinc/37/33/99/171373399.db2.gz UQRWOZSQDSPVDY-FZMZJTMJSA-N 0 3 286.341 3.580 10 0 CHAEHN Cc1ccc([C@H](N)COc2ccccc2F)c(C)c1 ZINC000023069339 171409582 /nfs/dbraw/zinc/40/95/82/171409582.db2.gz REPKAWARRSQFTC-OAHLLOKOSA-N 0 3 259.324 3.521 10 0 CHAEHN COc1cc([C@H](N)c2ccc(Cl)s2)ccc1C ZINC000034939165 171898960 /nfs/dbraw/zinc/89/89/60/171898960.db2.gz FACAABCXFWTAMY-ZDUSSCGKSA-N 0 3 267.781 3.767 10 0 CHAEHN C1=C[C@H]2C[C@@H]1C[C@@H]2CNCc1nc2ccccc2s1 ZINC000035015069 171931990 /nfs/dbraw/zinc/93/19/90/171931990.db2.gz JJHKRTPWQHNIQN-FRRDWIJNSA-N 0 3 270.401 3.598 10 0 CHAEHN CCN(CC)C(=O)[C@@H](C)N[C@H](CC(C)C)c1ccccc1 ZINC000035224642 172068663 /nfs/dbraw/zinc/06/86/63/172068663.db2.gz TVBLEEZRJHUFTB-NVXWUHKLSA-N 0 3 290.451 3.620 10 0 CHAEHN CCc1ccc([C@H](N)c2cc3c(s2)CCC3)s1 ZINC000035380834 172163785 /nfs/dbraw/zinc/16/37/85/172163785.db2.gz GLMFQVPQBMZEHA-AWEZNQCLSA-N 0 3 263.431 3.909 10 0 CHAEHN COc1ccc([C@H](N)c2ccc(Cl)cc2)cc1F ZINC000035424340 172192752 /nfs/dbraw/zinc/19/27/52/172192752.db2.gz WDXFXCSYUBRAEU-CQSZACIVSA-N 0 3 265.715 3.536 10 0 CHAEHN COc1ccc([C@@H](N)c2ccccc2Cl)cc1F ZINC000035424344 172192910 /nfs/dbraw/zinc/19/29/10/172192910.db2.gz SRCHWBZCXXETSX-CQSZACIVSA-N 0 3 265.715 3.536 10 0 CHAEHN CCCCC[C@H](NC)c1cc(OC)ccc1OC ZINC000035466655 172214326 /nfs/dbraw/zinc/21/43/26/172214326.db2.gz PCHXTIJIKSZBDV-AWEZNQCLSA-N 0 3 251.370 3.545 10 0 CHAEHN CN[C@H](c1ccc(C)s1)c1ccc(OC)cc1C ZINC000035468327 172217770 /nfs/dbraw/zinc/21/77/70/172217770.db2.gz TUKBFCJWTFKACX-HNNXBMFYSA-N 0 3 261.390 3.682 10 0 CHAEHN CN[C@H](Cc1ccccc1)c1c(F)cc(F)cc1F ZINC000035469613 172220832 /nfs/dbraw/zinc/22/08/32/172220832.db2.gz LNQBVRKHCCTXEB-CQSZACIVSA-N 0 3 265.278 3.607 10 0 CHAEHN CN[C@H](c1cccs1)c1cc(Cl)ccc1OC ZINC000035488046 172223140 /nfs/dbraw/zinc/22/31/40/172223140.db2.gz QYRFFIUSLMZUNZ-ZDUSSCGKSA-N 0 3 267.781 3.719 10 0 CHAEHN CN[C@H](c1ccc(Cl)s1)c1cccc(OC)c1 ZINC000035498326 172232509 /nfs/dbraw/zinc/23/25/09/172232509.db2.gz PAGWUZZATMXVKW-ZDUSSCGKSA-N 0 3 267.781 3.719 10 0 CHAEHN CC[C@@H](C)[C@H](NC)c1cc(OC)c(OC)cc1Cl ZINC000035501250 172235678 /nfs/dbraw/zinc/23/56/78/172235678.db2.gz GHLWKVMFBNNIIF-OTYXRUKQSA-N 0 3 271.788 3.664 10 0 CHAEHN CN[C@@H](c1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000035501515 172236030 /nfs/dbraw/zinc/23/60/30/172236030.db2.gz JSXYZIDSYYSGCO-CYBMUJFWSA-N 0 3 267.159 3.697 10 0 CHAEHN CCC[C@@H](NC)c1cc(Br)ccc1OCC ZINC000035505578 172239128 /nfs/dbraw/zinc/23/91/28/172239128.db2.gz NRXWWVXGKFNSQH-GFCCVEGCSA-N 0 3 286.213 3.908 10 0 CHAEHN CN[C@H](CC(C)(C)C)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507273 172240336 /nfs/dbraw/zinc/24/03/36/172240336.db2.gz UEZFTHIMZXSZKA-CYBMUJFWSA-N 0 3 280.799 3.531 10 0 CHAEHN CCN[C@@H](c1cccs1)c1cc(F)ccc1OC ZINC000035554335 172260850 /nfs/dbraw/zinc/26/08/50/172260850.db2.gz CYZWGNZCMCGADG-CQSZACIVSA-N 0 3 265.353 3.595 10 0 CHAEHN CCN[C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000035559024 172264538 /nfs/dbraw/zinc/26/45/38/172264538.db2.gz BSSXPLXSOLUTCV-QWHCGFSZSA-N 0 3 274.191 3.823 10 0 CHAEHN CCN[C@H](Cc1ncc[nH]1)c1ccc(Cl)cc1Cl ZINC000035570068 172265587 /nfs/dbraw/zinc/26/55/87/172265587.db2.gz RACIAZXDWDSBLP-GFCCVEGCSA-N 0 3 284.190 3.610 10 0 CHAEHN CCN[C@@H](Cc1ncc[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000035570440 172266596 /nfs/dbraw/zinc/26/65/96/172266596.db2.gz QKOVHPBYHDLSMD-LBPRGKRZSA-N 0 3 284.190 3.610 10 0 CHAEHN CCCN[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000035575236 172272258 /nfs/dbraw/zinc/27/22/58/172272258.db2.gz PXMRCZLFSAXHFL-HNNXBMFYSA-N 0 3 260.768 3.824 10 0 CHAEHN CCCN[C@@H]1CCOc2c(Br)cc(C)cc21 ZINC000035653808 172330809 /nfs/dbraw/zinc/33/08/09/172330809.db2.gz NJIAWEGFNWVHRP-GFCCVEGCSA-N 0 3 284.197 3.581 10 0 CHAEHN C[C@H](N)c1c(F)cccc1N(C)Cc1cccs1 ZINC000035717698 172372227 /nfs/dbraw/zinc/37/22/27/172372227.db2.gz NTPCCZFXQYEKBI-JTQLQIEISA-N 0 3 264.369 3.543 10 0 CHAEHN NCc1cccnc1Oc1ccc(Cl)cc1Cl ZINC000035719826 172374501 /nfs/dbraw/zinc/37/45/01/172374501.db2.gz OAAGNNFRIRRZHI-UHFFFAOYSA-N 0 3 269.131 3.639 10 0 CHAEHN CC(C)NCc1cc(F)ccc1N(C)C1CCCC1 ZINC000037236620 173054015 /nfs/dbraw/zinc/05/40/15/173054015.db2.gz LFRXWBYWMQVJJQ-UHFFFAOYSA-N 0 3 264.388 3.703 10 0 CHAEHN CCCN(c1ccc(F)cc1CNC(C)C)C(C)C ZINC000037236644 173054369 /nfs/dbraw/zinc/05/43/69/173054369.db2.gz HNEHEKGESZZRTJ-UHFFFAOYSA-N 0 3 266.404 3.949 10 0 CHAEHN CC[C@@H](C(=O)c1ccccc1)N1C[C@H](C)C[C@H](C)C1 ZINC000037331866 173133899 /nfs/dbraw/zinc/13/38/99/173133899.db2.gz QGYKWSOFMCWJIP-LZWOXQAQSA-N 0 3 259.393 3.626 10 0 CHAEHN CCn1c2ccc(C)cc2nc1[C@@H](N)Cc1ccccc1 ZINC000037438095 173208476 /nfs/dbraw/zinc/20/84/76/173208476.db2.gz QPQZWPPTUXRZNO-HNNXBMFYSA-N 0 3 279.387 3.607 10 0 CHAEHN CCCn1c2ccc(C)cc2nc1[C@@H]1CCCCN1 ZINC000037438380 173209043 /nfs/dbraw/zinc/20/90/43/173209043.db2.gz CBVUAMGHBPUENT-ZDUSSCGKSA-N 0 3 257.381 3.569 10 0 CHAEHN CCCn1c2ccc(Br)cc2nc1[C@@H](N)CC ZINC000037441615 173210936 /nfs/dbraw/zinc/21/09/36/173210936.db2.gz YPAGSISJOADPRT-JTQLQIEISA-N 0 3 296.212 3.619 10 0 CHAEHN CC(C)C[C@H](N)c1nc2c(cccc2F)n1C(C)C ZINC000037442785 173211537 /nfs/dbraw/zinc/21/15/37/173211537.db2.gz SAGVVEJLVPFKRJ-LBPRGKRZSA-N 0 3 263.360 3.802 10 0 CHAEHN CN[C@H](c1ccc(OC)cc1Br)C1CCCC1 ZINC000037445108 173212493 /nfs/dbraw/zinc/21/24/93/173212493.db2.gz GMSAFTDBVKGLNT-AWEZNQCLSA-N 0 3 298.224 3.908 10 0 CHAEHN CC[C@@H]1CCCN1[C@@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037913295 173846585 /nfs/dbraw/zinc/84/65/85/173846585.db2.gz RQVYYARUYLJPAP-KGLIPLIRSA-N 0 3 287.234 3.868 10 0 CHAEHN COC(=O)CCCNCc1sc2ccccc2c1Cl ZINC000037979383 173937714 /nfs/dbraw/zinc/93/77/14/173937714.db2.gz MKUYPRXFCPDEMT-UHFFFAOYSA-N 0 3 297.807 3.598 10 0 CHAEHN Fc1ccc(-c2ccc(CNC3CC3)c(F)c2)cc1 ZINC000038070793 174081422 /nfs/dbraw/zinc/08/14/22/174081422.db2.gz YKVSBLJIVKZRNM-UHFFFAOYSA-N 0 3 259.299 3.884 10 0 CHAEHN CCNCc1ccc(-c2cc(F)cc(F)c2)cc1F ZINC000038070263 174081539 /nfs/dbraw/zinc/08/15/39/174081539.db2.gz KSPNGIWAYYQJKM-UHFFFAOYSA-N 0 3 265.278 3.880 10 0 CHAEHN Cc1csc(CNC2CC(c3cccc(F)c3)C2)n1 ZINC000038090971 174104987 /nfs/dbraw/zinc/10/49/87/174104987.db2.gz FVMBERPRWCQKKX-UHFFFAOYSA-N 0 3 276.380 3.626 10 0 CHAEHN C[C@H](NCC[C@H]1CCCO1)c1ccccc1Br ZINC000038095472 174109542 /nfs/dbraw/zinc/10/95/42/174109542.db2.gz AZHCDGGQGUUMTA-NWDGAFQWSA-N 0 3 298.224 3.669 10 0 CHAEHN CCCC[C@@H](N)c1nc2ccccc2n1CCCOCC ZINC000040163840 174197044 /nfs/dbraw/zinc/19/70/44/174197044.db2.gz DQFMULZOFWUMOV-CQSZACIVSA-N 0 3 289.423 3.653 10 0 CHAEHN C[C@@H](N)c1nc2ccc(Cl)cc2n1Cc1ccccc1 ZINC000040417904 174256439 /nfs/dbraw/zinc/25/64/39/174256439.db2.gz HIPPJVZKWGYUAA-LLVKDONJSA-N 0 3 285.778 3.758 10 0 CHAEHN CCCOc1c(CNCC(C)C)cc(Cl)cc1OC ZINC000040722190 174385624 /nfs/dbraw/zinc/38/56/24/174385624.db2.gz RPGALOHHWKIIKO-UHFFFAOYSA-N 0 3 285.815 3.883 10 0 CHAEHN Cc1cccc(NC(=O)C[C@H]2NCCc3ccccc32)c1C ZINC000041484263 174560571 /nfs/dbraw/zinc/56/05/71/174560571.db2.gz DICWTNWTZZEQID-GOSISDBHSA-N 0 3 294.398 3.519 10 0 CHAEHN Cc1ccc2c(c1)nc(N)n2C[C@H]1CCCC[C@H]1C ZINC000042865845 174894850 /nfs/dbraw/zinc/89/48/50/174894850.db2.gz JAPAMVSUPNENLL-CHWSQXEVSA-N 0 3 257.381 3.753 10 0 CHAEHN CCCCOc1ccc2c(c1)OC(C)(C)C[C@H]2NC ZINC000043460267 175050827 /nfs/dbraw/zinc/05/08/27/175050827.db2.gz WRXWJYPLIBSUBH-CQSZACIVSA-N 0 3 263.381 3.687 10 0 CHAEHN CN[C@H]1CC(C)(C)Oc2cc(OCC(C)C)ccc21 ZINC000044421727 175174368 /nfs/dbraw/zinc/17/43/68/175174368.db2.gz LPCUAHAIJYBDNU-AWEZNQCLSA-N 0 3 263.381 3.543 10 0 CHAEHN Cc1nc(-c2cccc(C)c2)sc1CNC1CC1 ZINC000045205721 175327881 /nfs/dbraw/zinc/32/78/81/175327881.db2.gz JZRJEPSZSIEJOF-UHFFFAOYSA-N 0 3 258.390 3.679 10 0 CHAEHN CCCN[C@@H](C)c1csc(-c2cccs2)n1 ZINC000070841769 176008406 /nfs/dbraw/zinc/00/84/06/176008406.db2.gz ZOMAWKLUFQEYJW-VIFPVBQESA-N 0 3 252.408 3.932 10 0 CHAEHN C[C@@H](N)c1c(F)cccc1Oc1cc(F)ccc1F ZINC000071167889 176049491 /nfs/dbraw/zinc/04/94/91/176049491.db2.gz PGLYRDRCOSMJMM-MRVPVSSYSA-N 0 3 267.250 3.916 10 0 CHAEHN NC[C@H](Oc1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000071167269 176049614 /nfs/dbraw/zinc/04/96/14/176049614.db2.gz XLOQFCVLCVUILC-AWEZNQCLSA-N 0 3 283.705 3.697 10 0 CHAEHN CC(C)Oc1ccc(-c2nc([C@H](C)N)cs2)cc1 ZINC000076784682 177092306 /nfs/dbraw/zinc/09/23/06/177092306.db2.gz ZIODYRUAMPHPBL-JTQLQIEISA-N 0 3 262.378 3.617 10 0 CHAEHN CCCC[C@@H](CC)CN[C@H]1CC(=O)N(C)c2ccccc21 ZINC000037219622 260075359 /nfs/dbraw/zinc/07/53/59/260075359.db2.gz YFBJQFMMDBSJOZ-ZBFHGGJFSA-N 0 3 288.435 3.900 10 0 CHAEHN CCCn1ccc(CN[C@H]2CCc3ccccc32)c1 ZINC000091009719 260264701 /nfs/dbraw/zinc/26/47/01/260264701.db2.gz LPTHRYKZEGLYFT-KRWDZBQOSA-N 0 3 254.377 3.675 10 0 CHAEHN C[C@@H]1C[C@H]1NCc1cc(Cl)ccc1Br ZINC000085220689 260372252 /nfs/dbraw/zinc/37/22/52/260372252.db2.gz BGWBTRBPYKYGGD-RDDDGLTNSA-N 0 3 274.589 3.601 10 0 CHAEHN C[C@H](C(=O)Nc1ccccc1Cl)[C@@H](N)c1ccccc1 ZINC000130066708 260392910 /nfs/dbraw/zinc/39/29/10/260392910.db2.gz KUAIJHQNGSLNCW-XHDPSFHLSA-N 0 3 288.778 3.615 10 0 CHAEHN Cc1cnn([C@H]2CCCN([C@@H](C)c3cccc(C)c3)C2)c1 ZINC000173700009 261169715 /nfs/dbraw/zinc/16/97/15/261169715.db2.gz WKNUENNRTCGBMB-WMZOPIPTSA-N 0 3 283.419 3.898 10 0 CHAEHN CCc1ccc([C@H](C)N[C@@H](CN(C)C)c2ccccc2)o1 ZINC000163873957 261333072 /nfs/dbraw/zinc/33/30/72/261333072.db2.gz OIVMDLMGKIAXEU-YOEHRIQHSA-N 0 3 286.419 3.796 10 0 CHAEHN CN(C)C[C@H](N[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000120438311 262195128 /nfs/dbraw/zinc/19/51/28/262195128.db2.gz OQQRPUXMKTXEFR-PMACEKPBSA-N 0 3 294.442 3.957 10 0 CHAEHN C[C@@H](COCc1ccccc1)Nc1ccnc2ccccc21 ZINC000390659373 262236241 /nfs/dbraw/zinc/23/62/41/262236241.db2.gz LQEGAZOGSSOIQT-HNNXBMFYSA-N 0 3 292.382 3.674 10 0 CHAEHN Cc1ccc(C)c(CN2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114484001 266297432 /nfs/dbraw/zinc/29/74/32/266297432.db2.gz BJGPKKWSNDUEKV-QGZVFWFLSA-N 0 3 269.392 3.754 10 0 CHAEHN C[C@@H](N[C@@H](C)c1cccs1)c1cccc(CO)c1 ZINC000179094911 327799286 /nfs/dbraw/zinc/79/92/86/327799286.db2.gz ZYYMHRJVDUBJFJ-NEPJUHHUSA-N 0 3 261.390 3.652 10 0 CHAEHN CC[C@H](c1ccc(F)cc1)N1CCNCc2ccccc21 ZINC000062818102 327895565 /nfs/dbraw/zinc/89/55/65/327895565.db2.gz QMTWWSFCNFICSH-QGZVFWFLSA-N 0 3 284.378 3.887 10 0 CHAEHN COc1ccc([C@H](N[C@H]2C[C@@H]2C)c2ccccc2)cc1 ZINC000216423341 327990163 /nfs/dbraw/zinc/99/01/63/327990163.db2.gz NJRUKFLQLJEMRZ-DOPJRALCSA-N 0 3 267.372 3.783 10 0 CHAEHN CSCCCN[C@H]1CCOc2c(Cl)cccc21 ZINC000123615536 328454436 /nfs/dbraw/zinc/45/44/36/328454436.db2.gz XQQAXPXWANWJGQ-LBPRGKRZSA-N 0 3 271.813 3.506 10 0 CHAEHN CCC[C@H](N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000036872674 326830034 /nfs/dbraw/zinc/83/00/34/326830034.db2.gz BFHAIAHZMVSAOG-AWEZNQCLSA-N 0 3 284.359 3.545 10 0 CHAEHN C[C@H](CN[C@H]1COc2ccccc21)c1ccccc1 ZINC000070529086 326917664 /nfs/dbraw/zinc/91/76/64/326917664.db2.gz UPGSLNDRBZFZDE-CJNGLKHVSA-N 0 3 253.345 3.513 10 0 CHAEHN CNCc1cccc(NC(=O)c2csc3ccccc23)c1 ZINC000042891999 327242392 /nfs/dbraw/zinc/24/23/92/327242392.db2.gz LITUOLDXLLNCAT-UHFFFAOYSA-N 0 3 296.395 3.873 10 0 CHAEHN CCC(CC)N[C@H](C)c1nc2ccccc2n1CC ZINC000180993900 327366262 /nfs/dbraw/zinc/36/62/62/327366262.db2.gz COHVYUCBQAFIHZ-GFCCVEGCSA-N 0 3 259.397 3.895 10 0 CHAEHN C[C@H](N[C@H]1Cc2ccccc2[C@@H]1O)c1ccc(Cl)s1 ZINC000178354851 329199001 /nfs/dbraw/zinc/19/90/01/329199001.db2.gz YEHLCJAOHLULPM-FMSQNYNMSA-N 0 3 293.819 3.710 10 0 CHAEHN Cc1ccc2nccc(N3CCC[C@H]3c3cnn(C)c3)c2c1 ZINC000185630082 329328083 /nfs/dbraw/zinc/32/80/83/329328083.db2.gz KNVRRROGKCTZBM-KRWDZBQOSA-N 0 3 292.386 3.618 10 0 CHAEHN Cc1csc([C@@H]2CCCN(Cc3cncc(C)c3)C2)n1 ZINC000189830878 329389441 /nfs/dbraw/zinc/38/94/41/329389441.db2.gz URVPLUNGJUVTEZ-OAHLLOKOSA-N 0 3 287.432 3.535 10 0 CHAEHN CC(C)=CCC[C@@H](C)CCN[C@H]1CCCn2nc(C)nc21 ZINC000193301431 329439867 /nfs/dbraw/zinc/43/98/67/329439867.db2.gz VDCGJOMNNGORRV-ZBFHGGJFSA-N 0 3 290.455 3.784 10 0 CHAEHN C[C@@H]1C[C@H]1N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000052274496 329656742 /nfs/dbraw/zinc/65/67/42/329656742.db2.gz MFTUCBLHHHVHPU-GGZOMVNGSA-N 0 3 253.798 3.875 10 0 CHAEHN Cc1sc(CNCC2CC2)nc1-c1ccccc1 ZINC000070939007 329856077 /nfs/dbraw/zinc/85/60/77/329856077.db2.gz BTGSYUDFYUNWTI-UHFFFAOYSA-N 0 3 258.390 3.618 10 0 CHAEHN CCOC(=O)CCN[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000045686344 330348542 /nfs/dbraw/zinc/34/85/42/330348542.db2.gz PWCMYTRIUWXHNR-CYBMUJFWSA-N 0 3 277.408 3.588 10 0 CHAEHN C[C@H](CCCC(F)(F)F)N[C@H]1COc2ccccc21 ZINC000163432903 331039135 /nfs/dbraw/zinc/03/91/35/331039135.db2.gz RRIFAOOAGSTDSR-PWSUYJOCSA-N 0 3 273.298 3.831 10 0 CHAEHN CC(C)c1ccc([C@H](C)N[C@@H](C)C(=O)N(C)C(C)C)cc1 ZINC000177411529 333058522 /nfs/dbraw/zinc/05/85/22/333058522.db2.gz QVAUBUDCZOXRGG-GJZGRUSLSA-N 0 3 290.451 3.716 10 0 CHAEHN CC(C)N(C)C(=O)[C@H](C)N[C@H](C)c1ccc2ccccc2c1 ZINC000177410995 333058568 /nfs/dbraw/zinc/05/85/68/333058568.db2.gz CVHANIFLYUFCIZ-CABCVRRESA-N 0 3 298.430 3.746 10 0 CHAEHN CCc1cccc(CN2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000189220910 333186201 /nfs/dbraw/zinc/18/62/01/333186201.db2.gz NLQMINAERBVYME-GOSISDBHSA-N 0 3 283.419 3.591 10 0 CHAEHN CC(C)C[C@H](CN(C)C)N[C@@H](C)c1cccc(F)c1F ZINC000224983991 333228304 /nfs/dbraw/zinc/22/83/04/333228304.db2.gz GCEKWJGGOLWWGW-QWHCGFSZSA-N 0 3 284.394 3.592 10 0 CHAEHN OC[C@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1Cl ZINC000229195349 333301451 /nfs/dbraw/zinc/30/14/51/333301451.db2.gz BFIOSESBYIEHNO-YGRLFVJLSA-N 0 3 288.218 3.634 10 0 CHAEHN Cc1ccc([C@@H](C)NC[C@@H](O)CC2CCCC2)cc1F ZINC000232133314 333334323 /nfs/dbraw/zinc/33/43/23/333334323.db2.gz VWBXNVQZVLBGCH-CJNGLKHVSA-N 0 3 279.399 3.726 10 0 CHAEHN CCC[C@H]1C[C@@H]1NCc1cccc(F)c1Br ZINC000233415611 333352171 /nfs/dbraw/zinc/35/21/71/333352171.db2.gz KMUMOIVRAMEJEZ-CABZTGNLSA-N 0 3 286.188 3.866 10 0 CHAEHN Cc1ncc(CN[C@@H]2C[C@H](C)CC[C@H]2C(C)C)o1 ZINC000398030779 333431639 /nfs/dbraw/zinc/43/16/39/333431639.db2.gz PNJUINDGPOJLMA-BYCMXARLSA-N 0 3 250.386 3.533 10 0 CHAEHN C[C@@H]1C[C@H]1N[C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000126897664 333613696 /nfs/dbraw/zinc/61/36/96/333613696.db2.gz OTIGJOLUMCHQAR-NZXMKCKXSA-N 0 3 256.176 3.979 10 0 CHAEHN CC[C@@H](C)CN[C@H](C)c1nc2ccccc2n1CC ZINC000133568077 334045252 /nfs/dbraw/zinc/04/52/52/334045252.db2.gz DIXBAXVBPYTVEO-CHWSQXEVSA-N 0 3 259.397 3.753 10 0 CHAEHN Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@@H]1CCO[C@@H]1C ZINC000134243498 334085325 /nfs/dbraw/zinc/08/53/25/334085325.db2.gz XCDATBYOSRRTLY-MVWJERBFSA-N 0 3 282.453 3.577 10 0 CHAEHN CCC[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1ccc(CC)cc1 ZINC000245225010 334185241 /nfs/dbraw/zinc/18/52/41/334185241.db2.gz KJLSRKPBOFLTRI-ZNMIVQPWSA-N 0 3 290.451 3.593 10 0 CHAEHN C[C@H](c1ccccc1F)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247998129 334293252 /nfs/dbraw/zinc/29/32/52/334293252.db2.gz KBEBOAQRMLWNKB-KEYYUXOJSA-N 0 3 277.383 3.514 10 0 CHAEHN C[C@@H]1C[C@@H]1N[C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000252725549 334386716 /nfs/dbraw/zinc/38/67/16/334386716.db2.gz OTIGJOLUMCHQAR-MKCWBWRRSA-N 0 3 256.176 3.979 10 0 CHAEHN Cc1csc([C@@H]2CCCN([C@@H](C)c3ccccn3)C2)n1 ZINC000177088756 335358568 /nfs/dbraw/zinc/35/85/68/335358568.db2.gz RGRVQQHQEPJYHL-UONOGXRCSA-N 0 3 287.432 3.787 10 0 CHAEHN C[C@H](NCC(C)(C)C(F)(F)F)c1ccsc1 ZINC000381447726 336063915 /nfs/dbraw/zinc/06/39/15/336063915.db2.gz GHRHESNWSFCONR-QMMMGPOBSA-N 0 3 251.317 3.987 10 0 CHAEHN CSCC1CCC(N[C@H]2COc3ccccc32)CC1 ZINC000385444153 336146406 /nfs/dbraw/zinc/14/64/06/336146406.db2.gz RLDDMIVUVZGJLR-PIMMBPRGSA-N 0 3 277.433 3.632 10 0 CHAEHN CC(C)[C@@H](CN(C)C)N[C@@H](C)c1ccccc1Cl ZINC000049195599 519793992 /nfs/dbraw/zinc/79/39/92/519793992.db2.gz CBLWCSKXTABELY-SWLSCSKDSA-N 0 3 268.832 3.577 10 0 CHAEHN CCCNCc1cc(COCCC(C)C)c(C)o1 ZINC000052624798 519944585 /nfs/dbraw/zinc/94/45/85/519944585.db2.gz KPSXOSKCFFGSBR-UHFFFAOYSA-N 0 3 253.386 3.650 10 0 CHAEHN CCN[C@@H](Cc1c(F)cccc1Cl)CC(F)(F)F ZINC000049347394 520104779 /nfs/dbraw/zinc/10/47/79/520104779.db2.gz JKUVDVUOXYKVCJ-QMMMGPOBSA-N 0 3 283.696 3.952 10 0 CHAEHN CNCc1occc1COc1c(C)cc(Cl)cc1C ZINC000052651385 522164630 /nfs/dbraw/zinc/16/46/30/522164630.db2.gz JCDCUUJKNUEAAN-UHFFFAOYSA-N 0 3 279.767 3.848 10 0 CHAEHN CC(C)(C)[C@H]1CCc2nc(C3(N)CCC3)sc2C1 ZINC000061713553 518979682 /nfs/dbraw/zinc/97/96/82/518979682.db2.gz IGLUTFUZKHECLU-JTQLQIEISA-N 0 3 264.438 3.632 10 0 CHAEHN CCCNCc1cccc(OC)c1OC[C@@H](C)CC ZINC000050423860 519954173 /nfs/dbraw/zinc/95/41/73/519954173.db2.gz FMTSPXQFFPLEDM-ZDUSSCGKSA-N 0 3 265.397 3.620 10 0 CHAEHN CCCNCc1occc1COc1cccc(C)c1 ZINC000052666835 519973477 /nfs/dbraw/zinc/97/34/77/519973477.db2.gz MUVZGMIWYRKRAW-UHFFFAOYSA-N 0 3 259.349 3.667 10 0 CHAEHN CCCN[C@@H](C)c1cnc(-c2cccs2)nc1C ZINC000054963170 519991555 /nfs/dbraw/zinc/99/15/55/519991555.db2.gz XBRHYKFHTOKJKU-JTQLQIEISA-N 0 3 261.394 3.574 10 0 CHAEHN CCNCc1cnc(-c2cccc(Cl)c2F)s1 ZINC000062606451 520014991 /nfs/dbraw/zinc/01/49/91/520014991.db2.gz WEEINWXMAFJVFU-UHFFFAOYSA-N 0 3 270.760 3.712 10 0 CHAEHN CCCN[C@H](CSC)c1ccccc1OC(F)(F)F ZINC000055229932 520084945 /nfs/dbraw/zinc/08/49/45/520084945.db2.gz ZSKCKGBWNQQNBB-LLVKDONJSA-N 0 3 293.354 3.989 10 0 CHAEHN CCCNc1c2c(nc3ccc(OC)cc31)CCC2 ZINC000050870842 520126782 /nfs/dbraw/zinc/12/67/82/520126782.db2.gz LEJRVJRFAXHDOT-UHFFFAOYSA-N 0 3 256.349 3.554 10 0 CHAEHN CCN[C@H](c1ccc(Cl)cc1)[C@H]1CCCCO1 ZINC000050961923 520207538 /nfs/dbraw/zinc/20/75/38/520207538.db2.gz WYQLKIZQVIFHRG-ZIAGYGMSSA-N 0 3 253.773 3.560 10 0 CHAEHN CCC(CC)(c1ccccc1)[C@H](N)c1cccnc1 ZINC000062783849 521479341 /nfs/dbraw/zinc/47/93/41/521479341.db2.gz YNLHQQFRZFGZML-MRXNPFEDSA-N 0 3 254.377 3.839 10 0 CHAEHN CCCc1nc(N(C)C2CCCCCC2)sc1CN ZINC000054997947 521529136 /nfs/dbraw/zinc/52/91/36/521529136.db2.gz KOXHXGGWUDBBDV-UHFFFAOYSA-N 0 3 281.469 3.713 10 0 CHAEHN CCOc1ccccc1[C@@H](N)c1ccc(F)c(C)c1 ZINC000055240703 521579432 /nfs/dbraw/zinc/57/94/32/521579432.db2.gz KEBMGLSADZTSQC-INIZCTEOSA-N 0 3 259.324 3.581 10 0 CHAEHN CC[C@@H](C)COc1cc(OC)ccc1CNC(C)C ZINC000050424008 522003105 /nfs/dbraw/zinc/00/31/05/522003105.db2.gz OZQNSAZRUXKAHZ-CYBMUJFWSA-N 0 3 265.397 3.618 10 0 CHAEHN CN[C@@H](C)c1cnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000055270677 522338198 /nfs/dbraw/zinc/33/81/98/522338198.db2.gz GYKREIUZYVZUCJ-HXTFMFRQSA-N 0 3 276.449 3.891 10 0 CHAEHN CN[C@H](Cc1ccccc1F)c1cc(C)ccc1F ZINC000052984045 522473274 /nfs/dbraw/zinc/47/32/74/522473274.db2.gz YTIWBQCUVRLOIO-MRXNPFEDSA-N 0 3 261.315 3.776 10 0 CHAEHN CC[C@H]1CSC(NCc2ccccc2C(F)(F)F)=N1 ZINC000061627319 523353833 /nfs/dbraw/zinc/35/38/33/523353833.db2.gz GXTDIISAPBQCDS-JTQLQIEISA-N 0 3 288.338 3.676 10 0 CHAEHN C[C@@H]1CCCC[C@H]1N(C)c1ccc(Cl)cc1CN ZINC000052857502 524162565 /nfs/dbraw/zinc/16/25/65/524162565.db2.gz PKVAGWVPKQPNHI-BXUZGUMPSA-N 0 3 266.816 3.814 10 0 CHAEHN COc1ccc(Cl)cc1[C@@](C)(N)c1ccc(F)cc1 ZINC000055195001 524254953 /nfs/dbraw/zinc/25/49/53/524254953.db2.gz YIKRSFRCDMQLAU-HNNXBMFYSA-N 0 3 279.742 3.710 10 0 CHAEHN Cc1cc(CNCc2cc3c(s2)CCC3)ccc1F ZINC000050545638 524757300 /nfs/dbraw/zinc/75/73/00/524757300.db2.gz WKRHLMJTFHZGHW-UHFFFAOYSA-N 0 3 275.392 3.974 10 0 CHAEHN Cc1cc(COC2CCC2)oc1CNC(C)(C)C ZINC000052595807 524799564 /nfs/dbraw/zinc/79/95/64/524799564.db2.gz SXTLXUWQGBGWML-UHFFFAOYSA-N 0 3 251.370 3.545 10 0 CHAEHN COc1cncc(CN[C@H](C)c2ccc(C)cc2C)c1 ZINC000289696741 524923472 /nfs/dbraw/zinc/92/34/72/524923472.db2.gz FEEOGPNWADLPIZ-CQSZACIVSA-N 0 3 270.376 3.558 10 0 CHAEHN COc1ccc(Oc2cc(Cl)ccc2CN)cc1 ZINC000062787125 524992120 /nfs/dbraw/zinc/99/21/20/524992120.db2.gz QYPRMUBZXJSPND-UHFFFAOYSA-N 0 3 263.724 3.600 10 0 CHAEHN C[C@@H](N)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000052924076 525024870 /nfs/dbraw/zinc/02/48/70/525024870.db2.gz VYWIHDPGAJETTF-MRVPVSSYSA-N 0 3 255.239 3.985 10 0 CHAEHN C[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000129437039 525514403 /nfs/dbraw/zinc/51/44/03/525514403.db2.gz XHJOZBZYELMWLV-RNCFNFMXSA-N 0 3 291.288 3.502 10 0 CHAEHN c1csc([C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000157015281 526588184 /nfs/dbraw/zinc/58/81/84/526588184.db2.gz YKOVUUYUGVCSBR-AWEZNQCLSA-N 0 3 258.390 3.523 10 0 CHAEHN N[C@@H](Cc1ccc(F)cc1Cl)c1cc(F)ccc1F ZINC000062607964 527335822 /nfs/dbraw/zinc/33/58/22/527335822.db2.gz VUOZQGFENDYLID-AWEZNQCLSA-N 0 3 285.696 4.000 10 0 CHAEHN C[C@@H]1CCCN(Cc2cc(N)ccc2Br)[C@@H]1C ZINC000128393136 567034971 /nfs/dbraw/zinc/03/49/71/567034971.db2.gz BHDGEMDZBJDLGD-GHMZBOCLSA-N 0 3 297.240 3.652 10 0 CHAEHN CC1(C)CCN(Cc2cc(N)ccc2Br)CC1 ZINC000128396513 567035087 /nfs/dbraw/zinc/03/50/87/567035087.db2.gz NVNLQGYIKPMWFT-UHFFFAOYSA-N 0 3 297.240 3.653 10 0 CHAEHN Clc1ccc([C@H]2NCCc3ccsc32)s1 ZINC000712590900 567851924 /nfs/dbraw/zinc/85/19/24/567851924.db2.gz OZRLKQYZVZQTLN-SNVBAGLBSA-N 0 3 255.795 3.698 10 0 CHAEHN CC[C@@H]1[C@@H](O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000013468196 567866325 /nfs/dbraw/zinc/86/63/25/567866325.db2.gz OKNRTYWYWMOJGO-YDZRNGNQSA-N 0 3 281.399 3.849 10 0 CHAEHN CC[C@H]1[C@@H](O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000013468198 567866343 /nfs/dbraw/zinc/86/63/43/567866343.db2.gz OKNRTYWYWMOJGO-CADBVGFASA-N 0 3 281.399 3.849 10 0 CHAEHN C[C@@H]1C[C@@H](C)CN(Cc2cc(N)ccc2Br)C1 ZINC000128345235 570369260 /nfs/dbraw/zinc/36/92/60/570369260.db2.gz CXOCMRKYCQTQCR-GHMZBOCLSA-N 0 3 297.240 3.509 10 0 CHAEHN CC1(C)CCCN1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000103228241 1123783391 /nfs/dbraw/zinc/78/33/91/1123783391.db2.gz NUMFEBIDNAPROR-UHFFFAOYSA-N 0 3 292.329 3.994 10 0 CHAEHN CNCc1sc(Cc2ccccc2)nc1C(C)C ZINC000082429552 178006724 /nfs/dbraw/zinc/00/67/24/178006724.db2.gz MMHZXVPJMCIVSM-UHFFFAOYSA-N 0 3 260.406 3.577 10 0 CHAEHN Cc1ccccc1-c1nc(C(C)(C)C)c(CN)s1 ZINC000082438669 178016973 /nfs/dbraw/zinc/01/69/73/178016973.db2.gz JLSYQWDLDHPCIL-UHFFFAOYSA-N 0 3 260.406 3.875 10 0 CHAEHN CC(C)c1nc(C(C)(C)C)c(CNC2CC2)s1 ZINC000082438701 178016995 /nfs/dbraw/zinc/01/69/95/178016995.db2.gz IDQOCKCISZDDED-UHFFFAOYSA-N 0 3 252.427 3.816 10 0 CHAEHN CNCc1sc(CSC(C)C)nc1C(C)(C)C ZINC000082439721 178017700 /nfs/dbraw/zinc/01/77/00/178017700.db2.gz PGGGAAUPMVKYBY-UHFFFAOYSA-N 0 3 272.483 3.802 10 0 CHAEHN CCNCc1sc(-c2ccc(CC)cc2)nc1COC ZINC000082446514 178023928 /nfs/dbraw/zinc/02/39/28/178023928.db2.gz SEEVJEOKFKYQEG-UHFFFAOYSA-N 0 3 290.432 3.628 10 0 CHAEHN CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](CC(C)C)CN1 ZINC000095752841 185026461 /nfs/dbraw/zinc/02/64/61/185026461.db2.gz NBBAXAIIMROXQY-GJZGRUSLSA-N 0 3 298.471 3.656 10 0 CHAEHN CN[C@@H]1CC2(CCCC2)Oc2ccc(Cl)cc21 ZINC000082508791 178074727 /nfs/dbraw/zinc/07/47/27/178074727.db2.gz QKRRQGVDDPZBDD-GFCCVEGCSA-N 0 3 251.757 3.696 10 0 CHAEHN CN[C@@H](C(=O)c1ccc(SC(C)C)cc1)C(C)C ZINC000096891009 185124596 /nfs/dbraw/zinc/12/45/96/185124596.db2.gz MXZNSKUSOHWQFY-CQSZACIVSA-N 0 3 265.422 3.614 10 0 CHAEHN CNCc1oc(COc2ccc(SC)cc2)cc1C ZINC000104335654 185973769 /nfs/dbraw/zinc/97/37/69/185973769.db2.gz WTGQARDLQYBKPL-UHFFFAOYSA-N 0 3 277.389 3.608 10 0 CHAEHN C[C@@H](N)c1cc(F)ccc1N1CCc2ccccc21 ZINC000019872500 184534981 /nfs/dbraw/zinc/53/49/81/184534981.db2.gz FEHGJVOUFZLKRS-LLVKDONJSA-N 0 3 256.324 3.540 10 0 CHAEHN CC(C)NCc1nccn1Cc1ccc(Cl)c(Cl)c1 ZINC000006689218 170226560 /nfs/dbraw/zinc/22/65/60/170226560.db2.gz KRKIRQRTLKRJQS-UHFFFAOYSA-N 0 3 298.217 3.736 10 0 CHAEHN NC[C@H](Oc1ccc2c(c1)CCC2)c1ccc(Cl)cc1 ZINC000019671094 170835451 /nfs/dbraw/zinc/83/54/51/170835451.db2.gz USZOGCCTQNPPPC-KRWDZBQOSA-N 0 3 287.790 3.908 10 0 CHAEHN COc1ccccc1[C@H](N)c1ccc(CC(C)C)cc1 ZINC000019970374 170953153 /nfs/dbraw/zinc/95/31/53/170953153.db2.gz NIISVOGLBJVTMA-GOSISDBHSA-N 0 3 269.388 3.942 10 0 CHAEHN Cc1ccc([C@@H](C)N[C@@H](CN(C)C)c2ccccc2)o1 ZINC000020129378 171017580 /nfs/dbraw/zinc/01/75/80/171017580.db2.gz QLXXLFYRPMZDCK-ZBFHGGJFSA-N 0 3 272.392 3.542 10 0 CHAEHN Cc1ccccc1[C@H](C)N[C@H](CN(C)C)c1ccccc1 ZINC000020129397 171017874 /nfs/dbraw/zinc/01/78/74/171017874.db2.gz OOEMEKRRCOTUKZ-QFBILLFUSA-N 0 3 282.431 3.949 10 0 CHAEHN C[C@@H](N[C@@H](CN(C)C)c1ccccc1)c1cccc(F)c1 ZINC000020129412 171017976 /nfs/dbraw/zinc/01/79/76/171017976.db2.gz PJAKJJLRVNLEOH-KDOFPFPSSA-N 0 3 286.394 3.779 10 0 CHAEHN COc1ccccc1-c1nc(-c2ccccc2)c(CN)s1 ZINC000020184390 171047140 /nfs/dbraw/zinc/04/71/40/171047140.db2.gz XCGUHWACLONEBR-UHFFFAOYSA-N 0 3 296.395 3.944 10 0 CHAEHN C=COCCCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000020197689 171061625 /nfs/dbraw/zinc/06/16/25/171061625.db2.gz KFPCHMLJXXOHCN-UHFFFAOYSA-N 0 3 275.323 3.726 10 0 CHAEHN C[C@@H](N[C@H]1CCCc2occc21)c1ccc(O)cc1 ZINC000020204194 171069814 /nfs/dbraw/zinc/06/98/14/171069814.db2.gz UUMMYSRMBLEPPA-ABAIWWIYSA-N 0 3 257.333 3.713 10 0 CHAEHN Cc1cccc(CN(C)[C@@H](CN)c2ccccc2Cl)c1 ZINC000020225900 171090124 /nfs/dbraw/zinc/09/01/24/171090124.db2.gz RZDAZJZGMUULGP-KRWDZBQOSA-N 0 3 288.822 3.780 10 0 CHAEHN Cc1cc(CN[C@H](C)c2cccc(F)c2)cc(C)c1O ZINC000020305574 171142168 /nfs/dbraw/zinc/14/21/68/171142168.db2.gz BOWALCRLOAGKJM-CYBMUJFWSA-N 0 3 273.351 3.999 10 0 CHAEHN Cc1cc(C)cc([C@H](N)c2ccc3c(c2)CCC3)c1 ZINC000020384567 171175258 /nfs/dbraw/zinc/17/52/58/171175258.db2.gz QQIJHQBYRXZCBE-GOSISDBHSA-N 0 3 251.373 3.840 10 0 CHAEHN Cc1ccccc1[C@@H](N)c1cccc(Br)c1 ZINC000020391219 171179324 /nfs/dbraw/zinc/17/93/24/171179324.db2.gz DRMJULAEFKJQOQ-AWEZNQCLSA-N 0 3 276.177 3.806 10 0 CHAEHN Cc1ccc([C@@H](N)Cc2nc3ccccc3s2)s1 ZINC000020428139 171193179 /nfs/dbraw/zinc/19/31/79/171193179.db2.gz NLADCRIMNICZNV-JTQLQIEISA-N 0 3 274.414 3.909 10 0 CHAEHN Cc1ccccc1[C@H](N)c1ccc(OC(C)C)cc1 ZINC000020434855 171200831 /nfs/dbraw/zinc/20/08/31/171200831.db2.gz XYMNPBUXCDGJEF-QGZVFWFLSA-N 0 3 255.361 3.830 10 0 CHAEHN CCCOc1ccc(Oc2ccccc2CN)cc1 ZINC000020473843 171218286 /nfs/dbraw/zinc/21/82/86/171218286.db2.gz GLRJKTOPKJOSSF-UHFFFAOYSA-N 0 3 257.333 3.726 10 0 CHAEHN CCN(Cc1ccccc1)c1cccc(F)c1[C@@H](C)N ZINC000020486580 171225801 /nfs/dbraw/zinc/22/58/01/171225801.db2.gz NKVCHWVAXLOZHA-CYBMUJFWSA-N 0 3 272.367 3.872 10 0 CHAEHN Cc1ccc(C)c([C@@H](N)COC2CCC(C)CC2)c1 ZINC000020545763 171243616 /nfs/dbraw/zinc/24/36/16/171243616.db2.gz JXASISHEAKLKHP-QOJXUVEWSA-N 0 3 261.409 3.899 10 0 CHAEHN Cc1ccc([C@@H](N)COc2cc(C)ccc2C)cc1 ZINC000020547302 171245017 /nfs/dbraw/zinc/24/50/17/171245017.db2.gz DWMRISYJOIWDFZ-INIZCTEOSA-N 0 3 255.361 3.691 10 0 CHAEHN N[C@H]1c2ccccc2C[C@H]1Oc1cccc2ccccc21 ZINC000020567409 171255172 /nfs/dbraw/zinc/25/51/72/171255172.db2.gz PLZAAGCJIDPPHA-MOPGFXCFSA-N 0 3 275.351 3.843 10 0 CHAEHN Cc1ccc(N[C@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000020596019 171264612 /nfs/dbraw/zinc/26/46/12/171264612.db2.gz IRWCHYVCOBVZJA-INIZCTEOSA-N 0 3 284.378 3.821 10 0 CHAEHN CCCOc1ccc(CNCc2cccs2)cc1OC ZINC000020931019 171281036 /nfs/dbraw/zinc/28/10/36/171281036.db2.gz BBNOENVOXIXCLZ-UHFFFAOYSA-N 0 3 291.416 3.835 10 0 CHAEHN CCCOc1ccc2ccccc2c1CNC1CC1 ZINC000020930714 171281106 /nfs/dbraw/zinc/28/11/06/171281106.db2.gz FIJJPNQNGSYNFZ-UHFFFAOYSA-N 0 3 255.361 3.881 10 0 CHAEHN CCn1cc(CNCc2ccc(OC)cc2)c2ccccc21 ZINC000020935224 171281301 /nfs/dbraw/zinc/28/13/01/171281301.db2.gz LXWDCDVUTWTEAV-UHFFFAOYSA-N 0 3 294.398 3.960 10 0 CHAEHN COc1ccc(C)cc1[C@@H](N)COc1cccc(C)c1C ZINC000021010195 171286883 /nfs/dbraw/zinc/28/68/83/171286883.db2.gz JUXOWVOYDIJQMX-INIZCTEOSA-N 0 3 285.387 3.699 10 0 CHAEHN Cc1ccc([C@@H](N)COc2cccc(C)c2)c(C)c1 ZINC000021019273 171290086 /nfs/dbraw/zinc/29/00/86/171290086.db2.gz AFXMXDWCUWAPJZ-KRWDZBQOSA-N 0 3 255.361 3.691 10 0 CHAEHN Cc1cccc(O[C@@H](C)[C@H](N)c2ccccc2)c1C ZINC000021057046 171295950 /nfs/dbraw/zinc/29/59/50/171295950.db2.gz DCUAHRWOTCUZKU-YOEHRIQHSA-N 0 3 255.361 3.771 10 0 CHAEHN Cc1cccc(OC[C@H](N)c2c(C)cc(C)cc2C)c1 ZINC000021057629 171296052 /nfs/dbraw/zinc/29/60/52/171296052.db2.gz KHSHBFMLQYVLEY-KRWDZBQOSA-N 0 3 269.388 3.999 10 0 CHAEHN Cc1ccc(OC[C@H](N)c2ccccc2C)cc1C ZINC000021808210 171328100 /nfs/dbraw/zinc/32/81/00/171328100.db2.gz VTTSAJYQCNCXFD-KRWDZBQOSA-N 0 3 255.361 3.691 10 0 CHAEHN Cc1ccc([C@@H](N)COc2cc(C)ccc2C)c(C)c1 ZINC000022151937 171359104 /nfs/dbraw/zinc/35/91/04/171359104.db2.gz WBGCCKIGQGXMER-KRWDZBQOSA-N 0 3 269.388 3.999 10 0 CHAEHN Cc1cccc(C(=O)Nc2ccccc2[C@@H](C)N)c1C ZINC000022220647 171377709 /nfs/dbraw/zinc/37/77/09/171377709.db2.gz CTHONUFRIKDXPB-CYBMUJFWSA-N 0 3 268.360 3.575 10 0 CHAEHN Brc1ccccc1-c1ccc(CNC2CC2)o1 ZINC000035161828 172022366 /nfs/dbraw/zinc/02/23/66/172022366.db2.gz OFARZRWABVALNI-UHFFFAOYSA-N 0 3 292.176 3.961 10 0 CHAEHN CCC(CC)N(C)Cc1cc(C(C)=O)ccc1OC ZINC000035230315 172070925 /nfs/dbraw/zinc/07/09/25/172070925.db2.gz YKQYHYMVLCDHAT-UHFFFAOYSA-N 0 3 263.381 3.518 10 0 CHAEHN CCc1ccc([C@@H]2CNC[C@@H](c3ccccc3)O2)cc1 ZINC000035285534 172103257 /nfs/dbraw/zinc/10/32/57/172103257.db2.gz DOJAXGUFIDYWLG-ROUUACIJSA-N 0 3 267.372 3.651 10 0 CHAEHN N[C@H](c1ccsc1)c1ccc(Br)cc1 ZINC000035379571 172162553 /nfs/dbraw/zinc/16/25/53/172162553.db2.gz GEWGQPFHMNHAPT-NSHDSACASA-N 0 3 268.179 3.559 10 0 CHAEHN COc1ccc([C@H](N)c2cccs2)cc1Br ZINC000035381671 172164691 /nfs/dbraw/zinc/16/46/91/172164691.db2.gz QJECJSNYGQMJBH-LBPRGKRZSA-N 0 3 298.205 3.567 10 0 CHAEHN COc1ccc([C@H](N)c2ccc(C)s2)cc1Cl ZINC000035381596 172164869 /nfs/dbraw/zinc/16/48/69/172164869.db2.gz UECOMJGDVOUGAK-ZDUSSCGKSA-N 0 3 267.781 3.767 10 0 CHAEHN CN[C@@H](c1cccs1)c1ccc(OC)c(Cl)c1 ZINC000035461665 172210089 /nfs/dbraw/zinc/21/00/89/172210089.db2.gz YGSVDKRYNQJOOR-CYBMUJFWSA-N 0 3 267.781 3.719 10 0 CHAEHN CN[C@H](c1cccs1)c1ccc(OC)c(Cl)c1 ZINC000035461662 172210393 /nfs/dbraw/zinc/21/03/93/172210393.db2.gz YGSVDKRYNQJOOR-ZDUSSCGKSA-N 0 3 267.781 3.719 10 0 CHAEHN CN[C@@H](c1ccc(Cl)cc1)c1ccccc1OC ZINC000035464541 172212531 /nfs/dbraw/zinc/21/25/31/172212531.db2.gz BNLZVIXYUAEYKW-HNNXBMFYSA-N 0 3 261.752 3.657 10 0 CHAEHN CN[C@@H](c1ccc(C(C)(C)C)cc1)c1cccnc1 ZINC000035493535 172227295 /nfs/dbraw/zinc/22/72/95/172227295.db2.gz XSQGHWLCAYAQMQ-INIZCTEOSA-N 0 3 254.377 3.688 10 0 CHAEHN CN[C@@H](c1ccc(Cl)s1)[C@H]1Cc2ccccc2O1 ZINC000035498171 172231491 /nfs/dbraw/zinc/23/14/91/172231491.db2.gz JZRFZIIRUAPRAF-BXUZGUMPSA-N 0 3 279.792 3.666 10 0 CHAEHN CCN[C@H](c1ccco1)c1ccc2c(c1)CCCC2 ZINC000035510695 172242369 /nfs/dbraw/zinc/24/23/69/172242369.db2.gz LVDSTUUOWXREQA-KRWDZBQOSA-N 0 3 255.361 3.857 10 0 CHAEHN CCCC[C@H](NCC)c1cc(OC)ccc1OC ZINC000035541409 172248464 /nfs/dbraw/zinc/24/84/64/172248464.db2.gz CBFBVCNNBWQLJM-AWEZNQCLSA-N 0 3 251.370 3.545 10 0 CHAEHN CCN[C@@H](CC(F)(F)F)c1ccc(OCC)cc1 ZINC000035541361 172249099 /nfs/dbraw/zinc/24/90/99/172249099.db2.gz WWQHCXVHWRFBHT-LBPRGKRZSA-N 0 3 261.287 3.688 10 0 CHAEHN CCN[C@@H](c1ccsc1)c1ccc(CCOC)cc1 ZINC000035541926 172249306 /nfs/dbraw/zinc/24/93/06/172249306.db2.gz GVDRNDGADBSARO-MRXNPFEDSA-N 0 3 275.417 3.636 10 0 CHAEHN CCN[C@H](c1ccsc1)c1ccc(F)c(F)c1 ZINC000035548576 172257141 /nfs/dbraw/zinc/25/71/41/172257141.db2.gz WOFUSKSAWYUQQN-ZDUSSCGKSA-N 0 3 253.317 3.725 10 0 CHAEHN CCN[C@@H](CC(F)(F)F)c1ccc2c(c1)C[C@H](C)O2 ZINC000035571067 172267069 /nfs/dbraw/zinc/26/70/69/172267069.db2.gz RQRCSAJEONDPNG-CABZTGNLSA-N 0 3 273.298 3.613 10 0 CHAEHN CCCN[C@@H](c1ccc(C)o1)c1ccc(OC)cc1 ZINC000035576231 172273216 /nfs/dbraw/zinc/27/32/16/172273216.db2.gz FBUBYEKWMICRIB-MRXNPFEDSA-N 0 3 259.349 3.686 10 0 CHAEHN Clc1ccc2c(c1Cl)OCC[C@H]2NC1CC1 ZINC000035652942 172329539 /nfs/dbraw/zinc/32/95/39/172329539.db2.gz LOWOQIRJXQVPQB-SNVBAGLBSA-N 0 3 258.148 3.569 10 0 CHAEHN CN[C@H]1COc2c1cc(C(C)(C)C)cc2C(C)(C)C ZINC000035654748 172331738 /nfs/dbraw/zinc/33/17/38/172331738.db2.gz ZMXLCUSOESDSSL-AWEZNQCLSA-N 0 3 261.409 3.935 10 0 CHAEHN Cc1cc2c(c(C)c1Cl)[C@@H](NC1CC1)CCCO2 ZINC000035657744 172332284 /nfs/dbraw/zinc/33/22/84/172332284.db2.gz VZGIUEZXKREMKA-LBPRGKRZSA-N 0 3 265.784 3.923 10 0 CHAEHN Nc1ccc2nc(CCSc3cccs3)[nH]c2c1 ZINC000035659210 172335339 /nfs/dbraw/zinc/33/53/39/172335339.db2.gz CCCUURJXPYLNSY-UHFFFAOYSA-N 0 3 275.402 3.541 10 0 CHAEHN C[C@H](N)c1cc(F)ccc1N(C)Cc1cccs1 ZINC000035717706 172372230 /nfs/dbraw/zinc/37/22/30/172372230.db2.gz NTUUHCYKCHVVOO-JTQLQIEISA-N 0 3 264.369 3.543 10 0 CHAEHN CN(Cc1ccsc1)[C@@H](CN)c1ccccc1Cl ZINC000035719129 172372967 /nfs/dbraw/zinc/37/29/67/172372967.db2.gz IMVBRLPLJXSGDR-AWEZNQCLSA-N 0 3 280.824 3.533 10 0 CHAEHN N[C@H](c1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 ZINC000036893161 172785147 /nfs/dbraw/zinc/78/51/47/172785147.db2.gz UBMFNIFWWPAFDG-INIZCTEOSA-N 0 3 283.762 3.574 10 0 CHAEHN CCc1ccc([C@@H](N)[C@@H](C)Oc2ccccc2)cc1 ZINC000037224100 173044942 /nfs/dbraw/zinc/04/49/42/173044942.db2.gz SUEJYFNGOXOYEV-DYVFJYSZSA-N 0 3 255.361 3.716 10 0 CHAEHN CCc1ccc([C@H](N)c2cccc(OC(F)F)c2)s1 ZINC000037308833 173111691 /nfs/dbraw/zinc/11/16/91/173111691.db2.gz HNDMYIIHRZOGMG-CYBMUJFWSA-N 0 3 283.343 3.960 10 0 CHAEHN CCc1ccc(C(=O)[C@@H](C)N(CC)CC(C)C)cc1 ZINC000037336414 173137277 /nfs/dbraw/zinc/13/72/77/173137277.db2.gz LWJCPDGGPJQWFU-CQSZACIVSA-N 0 3 261.409 3.798 10 0 CHAEHN CCc1ccc(C(=O)[C@H](C)N(CC)[C@@H](C)CC)cc1 ZINC000037336733 173137391 /nfs/dbraw/zinc/13/73/91/173137391.db2.gz ZLTUJGAEXUESIG-KBPBESRZSA-N 0 3 261.409 3.941 10 0 CHAEHN O=C(CNC1CCCCCC1)Nc1cccc(Cl)c1 ZINC000037387735 173170829 /nfs/dbraw/zinc/17/08/29/173170829.db2.gz OGNZRSUINZDOAQ-UHFFFAOYSA-N 0 3 280.799 3.591 10 0 CHAEHN CCN[C@H](c1ccccc1)c1cc(C)ccc1OC ZINC000037409609 173185599 /nfs/dbraw/zinc/18/55/99/173185599.db2.gz QMQIOGMWRIDDMC-QGZVFWFLSA-N 0 3 255.361 3.703 10 0 CHAEHN CCCC[C@@H](N)c1nc2cc(Br)ccc2[nH]1 ZINC000037441150 173211060 /nfs/dbraw/zinc/21/10/60/173211060.db2.gz QLWNQLSJYKTPFH-SECBINFHSA-N 0 3 282.185 3.515 10 0 CHAEHN CCCC[C@@H](N)c1nc2ccc(Br)cc2[nH]1 ZINC000037441150 173211061 /nfs/dbraw/zinc/21/10/61/173211061.db2.gz QLWNQLSJYKTPFH-SECBINFHSA-N 0 3 282.185 3.515 10 0 CHAEHN CC[C@H](N)c1nc2cc(Br)ccc2n1C(C)C ZINC000037441740 173211170 /nfs/dbraw/zinc/21/11/70/173211170.db2.gz YMIFBTPJYCFSBW-JTQLQIEISA-N 0 3 296.212 3.790 10 0 CHAEHN CCCC[C@H](N)c1nc2cc(Br)ccc2[nH]1 ZINC000037441148 173211260 /nfs/dbraw/zinc/21/12/60/173211260.db2.gz QLWNQLSJYKTPFH-VIFPVBQESA-N 0 3 282.185 3.515 10 0 CHAEHN CCCC[C@H](N)c1nc2ccc(Br)cc2[nH]1 ZINC000037441148 173211262 /nfs/dbraw/zinc/21/12/62/173211262.db2.gz QLWNQLSJYKTPFH-VIFPVBQESA-N 0 3 282.185 3.515 10 0 CHAEHN CCC[C@](N)(c1ccccc1)c1ccccc1OC ZINC000037529828 173252898 /nfs/dbraw/zinc/25/28/98/173252898.db2.gz CQTNYPXBLGFSPQ-KRWDZBQOSA-N 0 3 255.361 3.698 10 0 CHAEHN CCCN[C@@H](c1ccsc1)c1cccc(OC)c1 ZINC000037534730 173254272 /nfs/dbraw/zinc/25/42/72/173254272.db2.gz LZFMHCGOBDSRAN-OAHLLOKOSA-N 0 3 261.390 3.846 10 0 CHAEHN C[C@H](c1cccc(F)c1)N1CCc2c(N)cccc2C1 ZINC000038032535 174028650 /nfs/dbraw/zinc/02/86/50/174028650.db2.gz MJSXVWLLUXMCJG-GFCCVEGCSA-N 0 3 270.351 3.527 10 0 CHAEHN CCn1c2ccc(F)cc2nc1[C@H](N)C1CCCCC1 ZINC000038036796 174035880 /nfs/dbraw/zinc/03/58/80/174035880.db2.gz KADFCJTYCVZBFY-OAHLLOKOSA-N 0 3 275.371 3.775 10 0 CHAEHN CN[C@@H](c1sccc1C)c1ccc2c(c1)CCCO2 ZINC000038057886 174068344 /nfs/dbraw/zinc/06/83/44/174068344.db2.gz KRXWHWPGUKDDLU-OAHLLOKOSA-N 0 3 273.401 3.690 10 0 CHAEHN CCN[C@@H](c1cccs1)c1ccc2c(c1)CCCO2 ZINC000038058075 174068857 /nfs/dbraw/zinc/06/88/57/174068857.db2.gz CZHXXHRGAWNYPZ-MRXNPFEDSA-N 0 3 273.401 3.772 10 0 CHAEHN COc1ccc(-c2ccc(CN)c(F)c2)cc1Cl ZINC000038073273 174083230 /nfs/dbraw/zinc/08/32/30/174083230.db2.gz APOVIPSWEQJUJI-UHFFFAOYSA-N 0 3 265.715 3.613 10 0 CHAEHN CCc1ccc(-c2ccc(OC)c(CNC)c2)cc1 ZINC000038072863 174083258 /nfs/dbraw/zinc/08/32/58/174083258.db2.gz SGPFRSLRIJFNDD-UHFFFAOYSA-N 0 3 255.361 3.644 10 0 CHAEHN C[C@H](CNCc1sc2ccccc2c1Cl)N(C)C ZINC000038087326 174098833 /nfs/dbraw/zinc/09/88/33/174098833.db2.gz UAWCOQWYNXYKHQ-SNVBAGLBSA-N 0 3 282.840 3.594 10 0 CHAEHN Cc1occc1[C@H](N)Cc1ccc(Br)cc1 ZINC000038128441 174132007 /nfs/dbraw/zinc/13/20/07/174132007.db2.gz SIGNVMGSHZRGLX-CYBMUJFWSA-N 0 3 280.165 3.593 10 0 CHAEHN C[C@@H]1CCC[C@H](C)N1[C@@H](CN)c1c(F)cccc1Cl ZINC000039789095 174173236 /nfs/dbraw/zinc/17/32/36/174173236.db2.gz XWWNILIGXDYPIM-WDMOLILDSA-N 0 3 284.806 3.742 10 0 CHAEHN C[C@@H]1CCC[C@H](C)N1[C@H](CN)c1ccccc1Cl ZINC000039789080 174173265 /nfs/dbraw/zinc/17/32/65/174173265.db2.gz ZXDDCMLWQKXSQE-TYNCELHUSA-N 0 3 266.816 3.603 10 0 CHAEHN C[C@@H]1CCC[C@H](OC[C@H](N)c2ccc(F)cc2F)C1 ZINC000040177337 174202275 /nfs/dbraw/zinc/20/22/75/174202275.db2.gz LPYHLUCXMLVGIY-GMXABZIVSA-N 0 3 269.335 3.560 10 0 CHAEHN CCc1ccc(-c2nc(CNC(C)C)cs2)cc1 ZINC000040419234 174256985 /nfs/dbraw/zinc/25/69/85/174256985.db2.gz GORNMJSRJLQGHC-UHFFFAOYSA-N 0 3 260.406 3.871 10 0 CHAEHN CCNCc1csc(-c2ccc(Br)cc2)n1 ZINC000040420180 174257474 /nfs/dbraw/zinc/25/74/74/174257474.db2.gz GDHLMDJAWYGSBV-UHFFFAOYSA-N 0 3 297.221 3.682 10 0 CHAEHN CC[C@@H]1CCCC[C@@H]1O[C@@H](CN)c1cccs1 ZINC000043109471 174973713 /nfs/dbraw/zinc/97/37/13/174973713.db2.gz VADPKOADRCDALN-AGIUHOORSA-N 0 3 253.411 3.733 10 0 CHAEHN CC[C@H](C)Oc1ccc2c(c1)OC(C)(C)C[C@@H]2NC ZINC000043460239 175050968 /nfs/dbraw/zinc/05/09/68/175050968.db2.gz GBNYNMCNORNGSX-FZMZJTMJSA-N 0 3 263.381 3.686 10 0 CHAEHN COc1ccc2c(c1)C1(CC1)CN[C@@H]2c1cccc(F)c1 ZINC000071633475 176237875 /nfs/dbraw/zinc/23/78/75/176237875.db2.gz GCGGQUZIKKIAAC-QGZVFWFLSA-N 0 3 283.346 3.559 10 0 CHAEHN COc1cccc([C@H]2NCC(C)(C)c3cc(OC)ccc32)c1 ZINC000071651999 176241555 /nfs/dbraw/zinc/24/15/55/176241555.db2.gz MGJHTBHUSJOSDG-GOSISDBHSA-N 0 3 297.398 3.674 10 0 CHAEHN Cc1cc(N)c2cc(NC(=O)c3ccccc3F)ccc2n1 ZINC000072414095 176398875 /nfs/dbraw/zinc/39/88/75/176398875.db2.gz PVTFETWPYWFOKD-UHFFFAOYSA-N 0 3 295.317 3.517 10 0 CHAEHN CCCOc1cccc(-c2nc([C@H](C)N)cs2)c1 ZINC000076784693 177092285 /nfs/dbraw/zinc/09/22/85/177092285.db2.gz XCIAQEBELXKFFU-JTQLQIEISA-N 0 3 262.378 3.619 10 0 CHAEHN CCc1c(CNC)oc2cc(C)c(Cl)c(C)c21 ZINC000077071554 177187686 /nfs/dbraw/zinc/18/76/86/177187686.db2.gz MQYSVKVVMDUXIZ-UHFFFAOYSA-N 0 3 251.757 3.985 10 0 CHAEHN COc1ccc([C@H](N)c2c(C)oc(C)c2C)cc1Cl ZINC000077088679 177212126 /nfs/dbraw/zinc/21/21/26/177212126.db2.gz HMMVCOMHCZIBGC-HNNXBMFYSA-N 0 3 279.767 3.915 10 0 CHAEHN Cc1cccc2c(N3CCSC(C)(C)C3)ccnc12 ZINC000301664850 260208695 /nfs/dbraw/zinc/20/86/95/260208695.db2.gz KZMCELGDHQGMNF-UHFFFAOYSA-N 0 3 272.417 3.875 10 0 CHAEHN CC[C@H](N[C@H](C)c1ncc(Br)s1)C(C)C ZINC000126472429 260353055 /nfs/dbraw/zinc/35/30/55/260353055.db2.gz KQLPXUBASMZSJW-BDAKNGLRSA-N 0 3 291.258 3.991 10 0 CHAEHN CCCCN(CCCC)C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000130124476 260393889 /nfs/dbraw/zinc/39/38/89/260393889.db2.gz CJUXXFGANMMKGK-RDJZCZTQSA-N 0 3 290.451 3.751 10 0 CHAEHN C[C@H](N[C@@H]1C[C@H]1C)c1ccc(Br)cc1F ZINC000131910066 260423917 /nfs/dbraw/zinc/42/39/17/260423917.db2.gz WCDRWUWVWSAELD-RGNHYFCHSA-N 0 3 272.161 3.647 10 0 CHAEHN CCc1nccn1[C@@H]1CCCN(Cc2cccc(C)c2)C1 ZINC000106215474 261323727 /nfs/dbraw/zinc/32/37/27/261323727.db2.gz NTYQCMYQTWFPOH-QGZVFWFLSA-N 0 3 283.419 3.591 10 0 CHAEHN CCn1nc(C)c([C@@H](C)NC[C@H]2CCCC2(F)F)c1C ZINC000390856480 262354289 /nfs/dbraw/zinc/35/42/89/262354289.db2.gz JTKNKFIRCDKYNA-ZWNOBZJWSA-N 0 3 285.382 3.606 10 0 CHAEHN CC1(C)C[C@H](NC[C@H]2CCC=CO2)c2ccccc2O1 ZINC000188577166 264224619 /nfs/dbraw/zinc/22/46/19/264224619.db2.gz JNVMLJBPXNTYTN-HIFRSBDPSA-N 0 3 273.376 3.571 10 0 CHAEHN CCO[C@H]1C[C@H](N(C)Cc2cnc(C)s2)C12CCCC2 ZINC000121240371 267586145 /nfs/dbraw/zinc/58/61/45/267586145.db2.gz DTGDTDLCRHEUGZ-GJZGRUSLSA-N 0 3 294.464 3.621 10 0 CHAEHN Cc1ccc(CN[C@@H](CN(C)C)c2ccccc2)cc1F ZINC000110974734 328322867 /nfs/dbraw/zinc/32/28/67/328322867.db2.gz QAVBFDIUXOELKE-SFHVURJKSA-N 0 3 286.394 3.527 10 0 CHAEHN O[C@H]1CCCC[C@H]1NC(c1ccccc1)c1ccccc1 ZINC000037490792 326854051 /nfs/dbraw/zinc/85/40/51/326854051.db2.gz JWSFMBBIHHZYKA-MSOLQXFVSA-N 0 3 281.399 3.669 10 0 CHAEHN CN(C)C[C@H](NCc1cc(Cl)cs1)c1ccccc1 ZINC000093093298 327104437 /nfs/dbraw/zinc/10/44/37/327104437.db2.gz FFBIGGFLQFMEEO-HNNXBMFYSA-N 0 3 294.851 3.794 10 0 CHAEHN CCC(C)(C)NC(=O)CN[C@H](C)c1ccc2ccccc2c1 ZINC000102686949 328713965 /nfs/dbraw/zinc/71/39/65/328713965.db2.gz XDXMOKWNXQVXON-CQSZACIVSA-N 0 3 298.430 3.795 10 0 CHAEHN Cc1csc([C@H]2CCCN([C@H]3C=CCCC3)C2)n1 ZINC000171735757 329079872 /nfs/dbraw/zinc/07/98/72/329079872.db2.gz IZUMZDUNEAHKDB-KBPBESRZSA-N 0 3 262.422 3.740 10 0 CHAEHN CN(C)c1ccccc1CN1CCC[C@H]1c1ccco1 ZINC000173759520 329148128 /nfs/dbraw/zinc/14/81/28/329148128.db2.gz SHCAFHXYVPIDBV-INIZCTEOSA-N 0 3 270.376 3.683 10 0 CHAEHN C[C@@H](N[C@H](c1ccncc1)c1ccc(F)cc1)C1CC1 ZINC000177313114 329185909 /nfs/dbraw/zinc/18/59/09/329185909.db2.gz XDZPPKCGPYWFBN-PXAZEXFGSA-N 0 3 270.351 3.698 10 0 CHAEHN C[C@H](N[C@H]1C[C@@H]1C)c1nc(-c2ccccc2)cs1 ZINC000178685207 329202168 /nfs/dbraw/zinc/20/21/68/329202168.db2.gz WCTVMPVGQWETLH-GVXVVHGQSA-N 0 3 258.390 3.869 10 0 CHAEHN c1cc(CN2CC=C(c3c[nH]c4ccccc43)CC2)c[nH]1 ZINC000180659011 329221561 /nfs/dbraw/zinc/22/15/61/329221561.db2.gz ZKEBVFDVELFPTA-UHFFFAOYSA-N 0 3 277.371 3.785 10 0 CHAEHN Cc1ccc([C@H](C)NCCC(=O)c2ccc(C)cc2)o1 ZINC000187493878 329358291 /nfs/dbraw/zinc/35/82/91/329358291.db2.gz PUAMAISEVCKOID-AWEZNQCLSA-N 0 3 271.360 3.820 10 0 CHAEHN Cc1ccc(N2CCC[C@H](N[C@H](C)c3cccnc3)C2)cc1 ZINC000245596043 329712612 /nfs/dbraw/zinc/71/26/12/329712612.db2.gz IORXWPBXXJBDQW-AEFFLSMTSA-N 0 3 295.430 3.710 10 0 CHAEHN C[C@H](N[C@H]1Cc2ccccc2[C@H]1O)c1ccc(Cl)s1 ZINC000248199477 329888531 /nfs/dbraw/zinc/88/85/31/329888531.db2.gz YEHLCJAOHLULPM-ONENECBXSA-N 0 3 293.819 3.710 10 0 CHAEHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1csc(Cl)c1 ZINC000248714783 329897767 /nfs/dbraw/zinc/89/77/67/329897767.db2.gz RENANOAHLQPVGE-PMEZXALUSA-N 0 3 285.840 3.866 10 0 CHAEHN CCC[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1ccsc1 ZINC000249093389 329904524 /nfs/dbraw/zinc/90/45/24/329904524.db2.gz NWIXIRBYOCFXHM-BBWFWOEESA-N 0 3 287.428 3.837 10 0 CHAEHN C[C@@H]1C[C@@H]1N[C@H]1CCCOc2cc(Br)ccc21 ZINC000251693164 329933284 /nfs/dbraw/zinc/93/32/84/329933284.db2.gz AXGCKDLNUUMXMN-ICCXJUOJSA-N 0 3 296.208 3.661 10 0 CHAEHN Oc1cccc2c1CC[C@H]2N[C@H]1C[C@@H]1c1ccccc1 ZINC000044675245 330331765 /nfs/dbraw/zinc/33/17/65/330331765.db2.gz QPAUYXVLXMVTDM-ZACQAIPSSA-N 0 3 265.356 3.525 10 0 CHAEHN C[C@@H]1CC(CNCc2ccc(F)cc2Cl)C[C@@H](C)O1 ZINC000466411151 331395705 /nfs/dbraw/zinc/39/57/05/331395705.db2.gz XMYCSFZDVKLULG-GHMZBOCLSA-N 0 3 285.790 3.772 10 0 CHAEHN C[C@@H]1C[C@@H](CNCc2cc(Cl)ccc2F)C[C@H](C)O1 ZINC000466425364 331396641 /nfs/dbraw/zinc/39/66/41/331396641.db2.gz JZRSOUJYRMIMMI-ZSBIGDGJSA-N 0 3 285.790 3.772 10 0 CHAEHN COc1cccc([C@H](C)N[C@H](C)COCc2ccccc2)c1 ZINC000177385534 333058354 /nfs/dbraw/zinc/05/83/54/333058354.db2.gz LUPITMAPMSLBKH-CVEARBPZSA-N 0 3 299.414 3.951 10 0 CHAEHN CC(C)c1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)C(C)C)cc1 ZINC000177411516 333058495 /nfs/dbraw/zinc/05/84/95/333058495.db2.gz QVAUBUDCZOXRGG-CABCVRRESA-N 0 3 290.451 3.716 10 0 CHAEHN C[C@@H]1OCC[C@H]1NCc1ccc(F)c(-c2cccs2)c1 ZINC000134241816 334085252 /nfs/dbraw/zinc/08/52/52/334085252.db2.gz GRIXOTAWTXMDAZ-XHDPSFHLSA-N 0 3 291.391 3.821 10 0 CHAEHN CCC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(CC)cc1 ZINC000245225009 334185181 /nfs/dbraw/zinc/18/51/81/334185181.db2.gz KJLSRKPBOFLTRI-RRFJBIMHSA-N 0 3 290.451 3.593 10 0 CHAEHN CCC(CC)CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000245915104 334223826 /nfs/dbraw/zinc/22/38/26/334223826.db2.gz NBPOECXRJFSVKV-BBRMVZONSA-N 0 3 283.362 3.509 10 0 CHAEHN C[C@H](c1ccc(F)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247927190 334291525 /nfs/dbraw/zinc/29/15/25/334291525.db2.gz BSKHSUUHUOTDKH-UKPHBRMFSA-N 0 3 277.383 3.514 10 0 CHAEHN C[C@H](c1cccc(F)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248145343 334295850 /nfs/dbraw/zinc/29/58/50/334295850.db2.gz QCIQGPCLUAKKIO-UNEWFSDZSA-N 0 3 277.383 3.514 10 0 CHAEHN C[C@H](N[C@@H]1CCCC[C@H]1CO)c1ccc(F)cc1Cl ZINC000248201198 334297056 /nfs/dbraw/zinc/29/70/56/334297056.db2.gz YUFQFLAVTLJQEX-ZIBATOQPSA-N 0 3 285.790 3.681 10 0 CHAEHN C[C@H](N[C@@H](C)[C@H]1CCCO1)c1ccccc1Br ZINC000248531513 334305010 /nfs/dbraw/zinc/30/50/10/334305010.db2.gz OOPBOOGRNSHMKO-COPLHBTASA-N 0 3 298.224 3.667 10 0 CHAEHN C[C@@H](N[C@@H](C)c1ccccc1Br)[C@H]1CCCO1 ZINC000248531514 334305031 /nfs/dbraw/zinc/30/50/31/334305031.db2.gz OOPBOOGRNSHMKO-MISXGVKJSA-N 0 3 298.224 3.667 10 0 CHAEHN CC(C)CC[C@@H](NCc1nnc(C(C)C)n1C)C(C)(C)C ZINC000179902146 335530586 /nfs/dbraw/zinc/53/05/86/335530586.db2.gz RKWURBPXZJOWRB-CQSZACIVSA-N 0 3 294.487 3.879 10 0 CHAEHN CCCN[C@@H](C)c1nc2cc(C)ccc2n1C(C)C ZINC000062366288 519990409 /nfs/dbraw/zinc/99/04/09/519990409.db2.gz IWCAUNUYRGHZJE-ZDUSSCGKSA-N 0 3 259.397 3.986 10 0 CHAEHN CCNCc1occc1COc1cc(C)cc(C)c1 ZINC000052666406 520029431 /nfs/dbraw/zinc/02/94/31/520029431.db2.gz CZYUSJGWCPAINY-UHFFFAOYSA-N 0 3 259.349 3.585 10 0 CHAEHN CCCN[C@H](C)c1cnc(-c2cccs2)nc1C ZINC000054963171 520066870 /nfs/dbraw/zinc/06/68/70/520066870.db2.gz XBRHYKFHTOKJKU-SNVBAGLBSA-N 0 3 261.394 3.574 10 0 CHAEHN CCN(CC)c1nc(C(C)(C)C)c(CNC2CC2)s1 ZINC000054995240 520925089 /nfs/dbraw/zinc/92/50/89/520925089.db2.gz LSOVKBSOAGHRJP-UHFFFAOYSA-N 0 3 281.469 3.539 10 0 CHAEHN CNCc1c(C)cc(C)nc1Oc1cccc(Cl)c1 ZINC000051549595 522099614 /nfs/dbraw/zinc/09/96/14/522099614.db2.gz TYOGLYXRCWWJOM-UHFFFAOYSA-N 0 3 276.767 3.864 10 0 CHAEHN CNCc1oc(COc2cc(C)cc(C)c2)cc1C ZINC000052666644 522160016 /nfs/dbraw/zinc/16/00/16/522160016.db2.gz KEAUBPGPWARRCB-UHFFFAOYSA-N 0 3 259.349 3.503 10 0 CHAEHN CC(C)[C@@H](N)c1nc2c(s1)C[C@@H](C(C)C)CC2 ZINC000054556843 519796483 /nfs/dbraw/zinc/79/64/83/519796483.db2.gz FIHWUUOEKCBLHZ-GXFFZTMASA-N 0 3 252.427 3.560 10 0 CHAEHN CC(C)c1ccc([C@H](O)[C@@H](N)c2ccccc2)cc1 ZINC000054681752 519840100 /nfs/dbraw/zinc/84/01/00/519840100.db2.gz DQWYSYCSWKYRHA-IRXDYDNUSA-N 0 3 255.361 3.543 10 0 CHAEHN CCNCc1cnc(-c2c(F)cccc2Cl)s1 ZINC000052903471 520015890 /nfs/dbraw/zinc/01/58/90/520015890.db2.gz VCWUVTQFINHVMV-UHFFFAOYSA-N 0 3 270.760 3.712 10 0 CHAEHN CCN[C@H](C)c1cnc(N2CCc3ccccc32)s1 ZINC000054899643 520181494 /nfs/dbraw/zinc/18/14/94/520181494.db2.gz PGUGXLFTQIFUHH-LLVKDONJSA-N 0 3 273.405 3.508 10 0 CHAEHN Cc1ccc2nccc(NCC[C@@H]3CCCO3)c2c1 ZINC000302167487 534523143 /nfs/dbraw/zinc/52/31/43/534523143.db2.gz SBELBEJLAQRGOO-ZDUSSCGKSA-N 0 3 256.349 3.524 10 0 CHAEHN COC(=O)c1cccc(CN[C@@H](C)c2ccccc2C)c1 ZINC000128931406 522213361 /nfs/dbraw/zinc/21/33/61/522213361.db2.gz GGIGABPIIBWVBP-AWEZNQCLSA-N 0 3 283.371 3.632 10 0 CHAEHN CN[C@@H](c1cccc(F)c1)c1ccc(F)c(Cl)c1 ZINC000062792333 522372972 /nfs/dbraw/zinc/37/29/72/522372972.db2.gz YQBGHSHWIIYGHX-AWEZNQCLSA-N 0 3 267.706 3.927 10 0 CHAEHN CN[C@H](C[C@@H]1CCCO1)c1cccc(Cl)c1Cl ZINC000055223490 522471129 /nfs/dbraw/zinc/47/11/29/522471129.db2.gz RKABYINZNUTEAQ-JOYOIKCWSA-N 0 3 274.191 3.823 10 0 CHAEHN CN[C@H](Cc1ccc(F)cc1Cl)c1ccco1 ZINC000054456002 522472608 /nfs/dbraw/zinc/47/26/08/522472608.db2.gz HFIWKOILDALHAH-GFCCVEGCSA-N 0 3 253.704 3.575 10 0 CHAEHN CN[C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCCCO1 ZINC000050961741 522477263 /nfs/dbraw/zinc/47/72/63/522477263.db2.gz ANQVGJOLCXCKKJ-QWHCGFSZSA-N 0 3 274.191 3.823 10 0 CHAEHN CC[C@@H]1CCCCN1Cc1ccc(Cl)cc1N ZINC000050442890 523178347 /nfs/dbraw/zinc/17/83/47/523178347.db2.gz ZHQQEVDEBVSKDM-CYBMUJFWSA-N 0 3 252.789 3.687 10 0 CHAEHN C[C@@H]1CCC[C@@H](Sc2nc3c(cc2CN)CCC3)C1 ZINC000054692447 524320785 /nfs/dbraw/zinc/32/07/85/524320785.db2.gz IXBZUWNFFSKTSX-BXUZGUMPSA-N 0 3 276.449 3.700 10 0 CHAEHN Clc1cc(Cl)c2c(c1)[C@@H](NC1CCC1)CCO2 ZINC000052208527 526928374 /nfs/dbraw/zinc/92/83/74/526928374.db2.gz XKXKMOXLWCASPY-LBPRGKRZSA-N 0 3 272.175 3.959 10 0 CHAEHN N[C@@H](c1ccccc1)[C@H](O)c1c(Cl)cccc1Cl ZINC000054682595 527338418 /nfs/dbraw/zinc/33/84/18/527338418.db2.gz HSMFVAXDTPGGAJ-UONOGXRCSA-N 0 3 282.170 3.727 10 0 CHAEHN CCn1nc(CNC2CCCCCC2)c(-c2ccccc2)n1 ZINC000057353237 567895055 /nfs/dbraw/zinc/89/50/55/567895055.db2.gz QHCBNZLJBXMTGE-UHFFFAOYSA-N 0 3 298.434 3.777 10 0 CHAEHN Cc1ccccc1COc1cccc(CNC2CC2)c1 ZINC000032115717 567955889 /nfs/dbraw/zinc/95/58/89/567955889.db2.gz ZAVNDHMLKDZFGD-UHFFFAOYSA-N 0 3 267.372 3.826 10 0 CHAEHN CC[C@H](N[C@H]1CCCc2n[nH]cc21)c1cccs1 ZINC000368606806 1118058548 /nfs/dbraw/zinc/05/85/48/1118058548.db2.gz FZIWBHUZSMQUDU-RYUDHWBXSA-N 0 3 261.394 3.590 10 0 CHAEHN [O-]c1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1F ZINC000095582030 185011406 /nfs/dbraw/zinc/01/14/06/185011406.db2.gz KVFNSHFLLSVMNF-UHFFFAOYSA-N 0 3 275.367 3.590 10 0 CHAEHN CCCc1nc(-c2cccc(OCC)c2)sc1CN ZINC000082428384 178004650 /nfs/dbraw/zinc/00/46/50/178004650.db2.gz TUCMTFHVBJITGL-UHFFFAOYSA-N 0 3 276.405 3.620 10 0 CHAEHN CCNCc1sc(CSCC)nc1C(C)C ZINC000082430176 178008292 /nfs/dbraw/zinc/00/82/92/178008292.db2.gz JZWHJDZMBLRQCA-UHFFFAOYSA-N 0 3 258.456 3.629 10 0 CHAEHN CNCc1sc(-c2c(F)cccc2F)nc1C1CC1 ZINC000082435741 178013312 /nfs/dbraw/zinc/01/33/12/178013312.db2.gz UYWDAQUHWJZZLF-UHFFFAOYSA-N 0 3 280.343 3.685 10 0 CHAEHN CSCc1nc(C(C)(C)C)c(CNC2CC2)s1 ZINC000082439595 178017875 /nfs/dbraw/zinc/01/78/75/178017875.db2.gz VJFYPYVBDOGUQH-UHFFFAOYSA-N 0 3 270.467 3.556 10 0 CHAEHN CCN[C@H]1CC2(CCCCC2)Oc2ccc(F)cc21 ZINC000082509122 178075506 /nfs/dbraw/zinc/07/55/06/178075506.db2.gz DMWDDLQHNCHFHP-AWEZNQCLSA-N 0 3 263.356 3.962 10 0 CHAEHN C[C@H](CSC(F)(F)F)NCc1ccc(F)cc1 ZINC000095918328 185030523 /nfs/dbraw/zinc/03/05/23/185030523.db2.gz GVUDVYWFHBBPNX-MRVPVSSYSA-N 0 3 267.291 3.557 10 0 CHAEHN COCCCSc1ccc(F)cc1CNC(C)(C)C ZINC000104439428 186002410 /nfs/dbraw/zinc/00/24/10/186002410.db2.gz DQKURCZLBWWRFI-UHFFFAOYSA-N 0 3 285.428 3.842 10 0 CHAEHN Cc1ccc(C2OC(=O)C=C2c2ccccc2)cc1 ZINC000005416785 170096800 /nfs/dbraw/zinc/09/68/00/170096800.db2.gz GQUCWIRGHQQDML-KRWDZBQOSA-N 0 3 250.297 3.677 10 0 CHAEHN O[C@]1(c2ccc(C(F)(F)F)cc2)CCN2CCCC[C@@H]2C1 ZINC000006093306 170175878 /nfs/dbraw/zinc/17/58/78/170175878.db2.gz SEWOUMHWEWDIHT-HUUCEWRRSA-N 0 3 299.336 3.541 10 0 CHAEHN CCc1c(C)sc2c1CCN[C@H]2c1ccccc1 ZINC000009115974 170364347 /nfs/dbraw/zinc/36/43/47/170364347.db2.gz LBHBJXVJHKFANC-HNNXBMFYSA-N 0 3 257.402 3.854 10 0 CHAEHN CC(C)CCOC[C@@H](N)c1cccc2ccccc21 ZINC000019263842 170763539 /nfs/dbraw/zinc/76/35/39/170763539.db2.gz ZKCYGTNNWFYIPA-QGZVFWFLSA-N 0 3 257.377 3.902 10 0 CHAEHN FC(F)(F)c1ccccc1[C@@H]1NCCc2ccccc21 ZINC000019726647 170845522 /nfs/dbraw/zinc/84/55/22/170845522.db2.gz XNOJWVBWUWWQKQ-OAHLLOKOSA-N 0 3 277.289 3.941 10 0 CHAEHN CC(C)C[C@H](N)c1nc2ccccc2n1CC(C)C ZINC000019734959 170848865 /nfs/dbraw/zinc/84/88/65/170848865.db2.gz JFASJLLPPOUOPE-ZDUSSCGKSA-N 0 3 259.397 3.738 10 0 CHAEHN CC(C)(C)c1ccc(C(=O)c2ccc(CN)cc2)cc1 ZINC000019779684 170861625 /nfs/dbraw/zinc/86/16/25/170861625.db2.gz XUUJCQBWPNKVHF-UHFFFAOYSA-N 0 3 267.372 3.674 10 0 CHAEHN CC[C@H](NCc1cccc(C)c1)c1ccc(O)cc1 ZINC000020134126 171021649 /nfs/dbraw/zinc/02/16/49/171021649.db2.gz VRAYOHURGVHTCX-KRWDZBQOSA-N 0 3 255.361 3.942 10 0 CHAEHN C[C@H](N[C@H]1CCOc2ccccc21)c1cccs1 ZINC000020148527 171036880 /nfs/dbraw/zinc/03/68/80/171036880.db2.gz XRNQOIVNCRRYBN-AAEUAGOBSA-N 0 3 259.374 3.923 10 0 CHAEHN C=COCCCN[C@H](C)c1ccccc1Br ZINC000020197296 171061156 /nfs/dbraw/zinc/06/11/56/171061156.db2.gz WLBLMPVCTFQKPG-LLVKDONJSA-N 0 3 284.197 3.650 10 0 CHAEHN C[C@@H](N[C@@H]1CCCc2occc21)c1ccc(O)cc1 ZINC000020204191 171069031 /nfs/dbraw/zinc/06/90/31/171069031.db2.gz UUMMYSRMBLEPPA-IAQYHMDHSA-N 0 3 257.333 3.713 10 0 CHAEHN C[C@H](N[C@H]1CCCc2occc21)c1ccc(O)cc1 ZINC000020204197 171069264 /nfs/dbraw/zinc/06/92/64/171069264.db2.gz UUMMYSRMBLEPPA-NHYWBVRUSA-N 0 3 257.333 3.713 10 0 CHAEHN Cc1ccc([C@@H](CN)N(C)Cc2ccccc2Cl)cc1 ZINC000020225553 171088327 /nfs/dbraw/zinc/08/83/27/171088327.db2.gz PWVYJVWVPGQVMC-QGZVFWFLSA-N 0 3 288.822 3.780 10 0 CHAEHN CN(CC1CCCCC1)[C@@H](CN)c1ccccc1Cl ZINC000020225934 171089926 /nfs/dbraw/zinc/08/99/26/171089926.db2.gz NMXLDBQBXIXWCS-INIZCTEOSA-N 0 3 280.843 3.852 10 0 CHAEHN CC[C@@H](Oc1ccc(F)cc1)[C@H](N)c1ccccc1 ZINC000020262608 171120601 /nfs/dbraw/zinc/12/06/01/171120601.db2.gz AZLYHJHNHQPQAE-HZPDHXFCSA-N 0 3 259.324 3.683 10 0 CHAEHN Cc1cc([C@@H](C)N[C@H](CN(C)C)c2ccccc2)c(C)o1 ZINC000020438934 171202757 /nfs/dbraw/zinc/20/27/57/171202757.db2.gz HZKCXSHVORZRFB-RDTXWAMCSA-N 0 3 286.419 3.850 10 0 CHAEHN CCN(Cc1ccccc1)c1ccc(F)cc1[C@@H](C)N ZINC000020486592 171226260 /nfs/dbraw/zinc/22/62/60/171226260.db2.gz ZUTGUHPDZVEQAM-CYBMUJFWSA-N 0 3 272.367 3.872 10 0 CHAEHN C[C@@H](N)c1c(F)cccc1O[C@@H]1CCC[C@@H](C)C1 ZINC000020517087 171232684 /nfs/dbraw/zinc/23/26/84/171232684.db2.gz OBZFOIXHHPYZHD-IJLUTSLNSA-N 0 3 251.345 3.803 10 0 CHAEHN COc1ccc([C@@H](N)c2ccc(F)cc2F)cc1Cl ZINC000020521836 171234945 /nfs/dbraw/zinc/23/49/45/171234945.db2.gz SCIYSPDWNDBGEY-CQSZACIVSA-N 0 3 283.705 3.675 10 0 CHAEHN CC(C)[C@H](Oc1ccc(F)cc1)[C@@H](N)c1ccccc1 ZINC000020547792 171244764 /nfs/dbraw/zinc/24/47/64/171244764.db2.gz WHKAURLHIPDHES-IRXDYDNUSA-N 0 3 273.351 3.929 10 0 CHAEHN Cc1ccc(CN(C)c2ccc(F)cc2[C@@H](C)N)cc1 ZINC000020549159 171246326 /nfs/dbraw/zinc/24/63/26/171246326.db2.gz WUTYUEJMQFEFGQ-CYBMUJFWSA-N 0 3 272.367 3.790 10 0 CHAEHN CCc1ccc([C@@H](N)COc2ccccc2C)cc1 ZINC000020563164 171252748 /nfs/dbraw/zinc/25/27/48/171252748.db2.gz JWENVMNTOFBCNL-INIZCTEOSA-N 0 3 255.361 3.636 10 0 CHAEHN CC(C)c1ccc(O[C@@H]2COc3ccccc3[C@@H]2N)cc1 ZINC000020566880 171254786 /nfs/dbraw/zinc/25/47/86/171254786.db2.gz KCIWEMHBWKHWOO-MSOLQXFVSA-N 0 3 283.371 3.650 10 0 CHAEHN COc1ccc(Br)cc1[C@H](N)c1ccccc1 ZINC000020586762 171259550 /nfs/dbraw/zinc/25/95/50/171259550.db2.gz BCNFIDVXWOVGOK-CQSZACIVSA-N 0 3 292.176 3.506 10 0 CHAEHN Cc1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000020596018 171264296 /nfs/dbraw/zinc/26/42/96/171264296.db2.gz IRWCHYVCOBVZJA-MRXNPFEDSA-N 0 3 284.378 3.821 10 0 CHAEHN Cc1ccc(COc2ccccc2CNC2CC2)cc1 ZINC000020873667 171277502 /nfs/dbraw/zinc/27/75/02/171277502.db2.gz XWJMXHZGLJCCAA-UHFFFAOYSA-N 0 3 267.372 3.826 10 0 CHAEHN N[C@@H]1c2ccccc2CCC[C@H]1Oc1cccc(F)c1 ZINC000021008806 171285488 /nfs/dbraw/zinc/28/54/88/171285488.db2.gz BWTCVCSSOVLPCE-IAGOWNOFSA-N 0 3 271.335 3.609 10 0 CHAEHN CCOc1ccccc1[C@@H](N)COc1ccc(CC)cc1 ZINC000021014010 171289022 /nfs/dbraw/zinc/28/90/22/171289022.db2.gz GQWNBALXBGFECW-KRWDZBQOSA-N 0 3 285.387 3.727 10 0 CHAEHN CC[C@@H](Oc1cccc(C)c1)[C@H](N)c1ccccc1 ZINC000021518657 171315033 /nfs/dbraw/zinc/31/50/33/171315033.db2.gz NFTGADABOBMIAZ-IAGOWNOFSA-N 0 3 255.361 3.852 10 0 CHAEHN Cc1ccc(OC[C@H](N)c2ccc(C)c(C)c2)cc1 ZINC000021814393 171331533 /nfs/dbraw/zinc/33/15/33/171331533.db2.gz VBGFLMCBIKLIHH-KRWDZBQOSA-N 0 3 255.361 3.691 10 0 CHAEHN CCc1ccc([C@@H](N)CO[C@@H]2CCCC[C@@H]2C)cc1 ZINC000021814530 171331551 /nfs/dbraw/zinc/33/15/51/171331551.db2.gz ULABOQNCGYBRSH-RRQGHBQHSA-N 0 3 261.409 3.844 10 0 CHAEHN CC(C)(C)c1ccc(Oc2cc(CN)ccn2)cc1 ZINC000022168949 171367196 /nfs/dbraw/zinc/36/71/96/171367196.db2.gz PWYPYFQBVGMDRX-UHFFFAOYSA-N 0 3 256.349 3.630 10 0 CHAEHN CC(C)(C)c1ccccc1Oc1ccc(CN)cn1 ZINC000022211611 171374066 /nfs/dbraw/zinc/37/40/66/171374066.db2.gz JPYMXZBLWDCFGR-UHFFFAOYSA-N 0 3 256.349 3.630 10 0 CHAEHN CC(C)[C@@H](Oc1ccccc1)[C@@H](N)c1ccccc1 ZINC000022565841 171391839 /nfs/dbraw/zinc/39/18/39/171391839.db2.gz XHRJPHQQJCFCDK-DLBZAZTESA-N 0 3 255.361 3.790 10 0 CHAEHN N[C@H]1c2ccccc2CCC[C@@H]1Oc1ccccc1F ZINC000022566155 171392097 /nfs/dbraw/zinc/39/20/97/171392097.db2.gz BCSDTOLODYHELK-IRXDYDNUSA-N 0 3 271.335 3.609 10 0 CHAEHN N[C@H]1c2ccccc2CCC[C@H]1n1cnc2ccccc21 ZINC000022566329 171392699 /nfs/dbraw/zinc/39/26/99/171392699.db2.gz PQJNXJRFBMYEMX-MSOLQXFVSA-N 0 3 277.371 3.614 10 0 CHAEHN N[C@@H](COc1ccccc1C(F)(F)F)c1ccccc1 ZINC000023071460 171410605 /nfs/dbraw/zinc/41/06/05/171410605.db2.gz QWIZJYQOXWXQGL-ZDUSSCGKSA-N 0 3 281.277 3.784 10 0 CHAEHN CN[C@H](C)c1ccccc1Oc1ccc(OC)cc1 ZINC000034666148 171854220 /nfs/dbraw/zinc/85/42/20/171854220.db2.gz JZSVMGKXWDJODQ-GFCCVEGCSA-N 0 3 257.333 3.768 10 0 CHAEHN CCN[C@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000035189082 172043931 /nfs/dbraw/zinc/04/39/31/172043931.db2.gz JVRGDUJSUVCVFB-INIZCTEOSA-N 0 3 257.402 3.936 10 0 CHAEHN FC(F)(F)[C@@H]1CCCC[C@H]1NCc1ccsc1 ZINC000035258186 172089408 /nfs/dbraw/zinc/08/94/08/172089408.db2.gz IVXJEQVAUZSZKN-GHMZBOCLSA-N 0 3 263.328 3.959 10 0 CHAEHN N[C@@H](c1cc2c(s1)CCC2)c1ccc(Cl)cc1 ZINC000035379554 172162062 /nfs/dbraw/zinc/16/20/62/172162062.db2.gz AMKPMNBMWLOGJG-CQSZACIVSA-N 0 3 263.793 3.938 10 0 CHAEHN CCOc1ccc([C@@H](N)c2cc3c(s2)CCC3)cc1 ZINC000035379781 172162284 /nfs/dbraw/zinc/16/22/84/172162284.db2.gz UZLQXHZKSCZMMY-MRXNPFEDSA-N 0 3 273.401 3.684 10 0 CHAEHN CCc1ccc([C@@H](N)c2cc3c(s2)CCC3)s1 ZINC000035380836 172163894 /nfs/dbraw/zinc/16/38/94/172163894.db2.gz GLMFQVPQBMZEHA-CQSZACIVSA-N 0 3 263.431 3.909 10 0 CHAEHN CCNCc1cccc(OC)c1OC1CCCCC1 ZINC000035413690 172186621 /nfs/dbraw/zinc/18/66/21/172186621.db2.gz MFVVDQNZLGQTNN-UHFFFAOYSA-N 0 3 263.381 3.516 10 0 CHAEHN CCCCCOc1cc(OCCC)ccc1CN ZINC000035413870 172186760 /nfs/dbraw/zinc/18/67/60/172186760.db2.gz PZROAZZNBUGIPW-UHFFFAOYSA-N 0 3 251.370 3.503 10 0 CHAEHN CN[C@@H](c1ccsc1)c1ccc2c(c1)CCCC2 ZINC000035459957 172208892 /nfs/dbraw/zinc/20/88/92/172208892.db2.gz WBVUKSVQUDQBDI-MRXNPFEDSA-N 0 3 257.402 3.936 10 0 CHAEHN CN[C@H](c1ccc(Br)cc1)c1cccc(F)c1 ZINC000035462825 172211152 /nfs/dbraw/zinc/21/11/52/172211152.db2.gz ZVUJFRNSUWBAON-CQSZACIVSA-N 0 3 294.167 3.897 10 0 CHAEHN CN[C@@H](c1cc2c(s1)CCC2)c1ccc(OC)cc1 ZINC000035465519 172213289 /nfs/dbraw/zinc/21/32/89/172213289.db2.gz ARLLZJUFNAZOLF-MRXNPFEDSA-N 0 3 273.401 3.554 10 0 CHAEHN CN[C@@H](c1ccc(C)cc1)c1ccc(C)c(OC)c1 ZINC000035466207 172213566 /nfs/dbraw/zinc/21/35/66/172213566.db2.gz BDZYSWKDOHBYHG-KRWDZBQOSA-N 0 3 255.361 3.621 10 0 CHAEHN CN[C@@H](c1ccc(C)s1)c1ccc(OC)cc1C ZINC000035468326 172217724 /nfs/dbraw/zinc/21/77/24/172217724.db2.gz TUKBFCJWTFKACX-OAHLLOKOSA-N 0 3 261.390 3.682 10 0 CHAEHN CN[C@@H](c1cccs1)c1cc2c(s1)CCCC2 ZINC000035487799 172223157 /nfs/dbraw/zinc/22/31/57/172223157.db2.gz TZUOFNURSMIGDR-AWEZNQCLSA-N 0 3 263.431 3.997 10 0 CHAEHN CN[C@H](c1ccc(Cl)s1)c1ccc(OC)cc1 ZINC000035498406 172232088 /nfs/dbraw/zinc/23/20/88/172232088.db2.gz CUCIJDHMQDLNCZ-ZDUSSCGKSA-N 0 3 267.781 3.719 10 0 CHAEHN CN[C@@H](c1cc(F)ccc1OC)C1CCCCC1 ZINC000035499245 172233385 /nfs/dbraw/zinc/23/33/85/172233385.db2.gz RKYVUBZJMDRCON-OAHLLOKOSA-N 0 3 251.345 3.675 10 0 CHAEHN CN[C@H](c1sccc1C)c1ccc(OC)c(F)c1 ZINC000035507450 172240260 /nfs/dbraw/zinc/24/02/60/172240260.db2.gz CUEGQHIUAIVLNT-ZDUSSCGKSA-N 0 3 265.353 3.513 10 0 CHAEHN CCN[C@H](c1ccoc1C)c1ccc(OC)c(Cl)c1 ZINC000035538302 172244803 /nfs/dbraw/zinc/24/48/03/172244803.db2.gz GEBUTWVFRFHHTB-HNNXBMFYSA-N 0 3 279.767 3.949 10 0 CHAEHN CCN[C@@H](CC(F)(F)F)c1ccc2c(c1)CCC2 ZINC000035551642 172259475 /nfs/dbraw/zinc/25/94/75/172259475.db2.gz LLSIKRUMVZDNOS-ZDUSSCGKSA-N 0 3 257.299 3.778 10 0 CHAEHN CCCN[C@H](c1cccs1)c1ccc2c(c1)CCO2 ZINC000035579119 172275151 /nfs/dbraw/zinc/27/51/51/172275151.db2.gz MMFAPFXZQNITCV-INIZCTEOSA-N 0 3 273.401 3.772 10 0 CHAEHN CCCN[C@H](c1c(F)cc(F)cc1F)[C@H]1C[C@@H]1C ZINC000035580951 172276923 /nfs/dbraw/zinc/27/69/23/172276923.db2.gz UYYHSCWGAXIFFY-BXGCZWRVSA-N 0 3 257.299 3.801 10 0 CHAEHN CC(C)N[C@@H]1CCOc2c(Cl)ccc(Cl)c21 ZINC000035654241 172330870 /nfs/dbraw/zinc/33/08/70/172330870.db2.gz UNQKVRWESTXLRE-SNVBAGLBSA-N 0 3 260.164 3.815 10 0 CHAEHN CCN[C@H]1CCCOc2c(Cl)ccc(Cl)c21 ZINC000035654232 172330993 /nfs/dbraw/zinc/33/09/93/172330993.db2.gz YTGPFAGXIJINIJ-JTQLQIEISA-N 0 3 260.164 3.817 10 0 CHAEHN Cc1cc2c(c(C)c1Cl)[C@H](NC1CC1)CCCO2 ZINC000035657743 172332704 /nfs/dbraw/zinc/33/27/04/172332704.db2.gz VZGIUEZXKREMKA-GFCCVEGCSA-N 0 3 265.784 3.923 10 0 CHAEHN CCCN[C@@H]1C[C@@H](C)Oc2ccc(Br)cc21 ZINC000035751472 172396230 /nfs/dbraw/zinc/39/62/30/172396230.db2.gz MYNVDIAFAAVDNY-BXKDBHETSA-N 0 3 284.197 3.661 10 0 CHAEHN NC[C@@H](c1ccc(Cl)s1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036809647 172725854 /nfs/dbraw/zinc/72/58/54/172725854.db2.gz CTARGTRSTMNSFW-XQQFMLRXSA-N 0 3 298.883 3.913 10 0 CHAEHN CNCc1cc(F)ccc1Oc1cccc(C)c1C ZINC000037237558 173055521 /nfs/dbraw/zinc/05/55/21/173055521.db2.gz PEDQPGAHFXLBON-UHFFFAOYSA-N 0 3 259.324 3.954 10 0 CHAEHN CC[C@@H](C)N(CC)Cc1cc(C(C)=O)ccc1OC ZINC000037315192 173116465 /nfs/dbraw/zinc/11/64/65/173116465.db2.gz AIMMJXKIWGZVGU-GFCCVEGCSA-N 0 3 263.381 3.518 10 0 CHAEHN Cc1ccc2c(c1)nc([C@H](N)CC(C)C)n2C(C)C ZINC000037438440 173208542 /nfs/dbraw/zinc/20/85/42/173208542.db2.gz CXMCBKXAPYPLQD-CYBMUJFWSA-N 0 3 259.397 3.972 10 0 CHAEHN CCCC[C@H](N)c1nc2cc(F)ccc2n1C(C)C ZINC000037439687 173209168 /nfs/dbraw/zinc/20/91/68/173209168.db2.gz WVNUIWBOTOMMJU-LBPRGKRZSA-N 0 3 263.360 3.946 10 0 CHAEHN CC[C@@H](N)c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440645 173210354 /nfs/dbraw/zinc/21/03/54/173210354.db2.gz YMUJDPRKEAWRQL-SNVBAGLBSA-N 0 3 251.761 3.680 10 0 CHAEHN CCCC[C@H](N)c1nc2cc(Cl)ccc2n1CC ZINC000037440373 173210652 /nfs/dbraw/zinc/21/06/52/173210652.db2.gz OIWDMQDQBYHSPS-NSHDSACASA-N 0 3 265.788 3.900 10 0 CHAEHN C[C@](N)(c1ccc(F)cc1)c1cccc(Br)c1 ZINC000037529747 173252818 /nfs/dbraw/zinc/25/28/18/173252818.db2.gz KDYKCFNQFKFBKS-AWEZNQCLSA-N 0 3 294.167 3.810 10 0 CHAEHN CCC[C@@](N)(c1ccccc1)c1ccccc1OC ZINC000037529827 173252910 /nfs/dbraw/zinc/25/29/10/173252910.db2.gz CQTNYPXBLGFSPQ-QGZVFWFLSA-N 0 3 255.361 3.698 10 0 CHAEHN COc1ccccc1[C@](C)(N)c1cccc(Cl)c1 ZINC000037529706 173253048 /nfs/dbraw/zinc/25/30/48/173253048.db2.gz DHPIBJCTEQKVFB-OAHLLOKOSA-N 0 3 261.752 3.571 10 0 CHAEHN CCn1c2ccc(C)cc2nc1[C@H](N)C1CCCCC1 ZINC000038036784 174035887 /nfs/dbraw/zinc/03/58/87/174035887.db2.gz MDBGDZLUPZGBSP-MRXNPFEDSA-N 0 3 271.408 3.945 10 0 CHAEHN N[C@H](c1nc2ccccc2n1C1CC1)C1CCCCC1 ZINC000038036777 174035906 /nfs/dbraw/zinc/03/59/06/174035906.db2.gz ZWILICGLQSRDKC-INIZCTEOSA-N 0 3 269.392 3.951 10 0 CHAEHN CCCn1c2ccccc2nc1CNC(C1CC1)C1CC1 ZINC000038046667 174055021 /nfs/dbraw/zinc/05/50/21/174055021.db2.gz SMABMNHUUSVJTG-UHFFFAOYSA-N 0 3 283.419 3.725 10 0 CHAEHN Fc1ccc(-c2ccc(F)c(CNC3CC3)c2)cc1 ZINC000038070784 174081505 /nfs/dbraw/zinc/08/15/05/174081505.db2.gz USIOHBFMIZNLFR-UHFFFAOYSA-N 0 3 259.299 3.884 10 0 CHAEHN CN[C@H]1CCOc2c(Br)c3ccccc3cc21 ZINC000038077590 174088329 /nfs/dbraw/zinc/08/83/29/174088329.db2.gz IVBQCXJBNJZUPK-LBPRGKRZSA-N 0 3 292.176 3.645 10 0 CHAEHN CCN[C@@H](Cc1ccccn1)c1ccccc1Cl ZINC000038078593 174088566 /nfs/dbraw/zinc/08/85/66/174088566.db2.gz XUXZCKMNNPGDGC-HNNXBMFYSA-N 0 3 260.768 3.628 10 0 CHAEHN CN[C@H](Cc1ccccc1Cl)c1ccccc1F ZINC000038130510 174131308 /nfs/dbraw/zinc/13/13/08/174131308.db2.gz NBGUHIQHTKYVKZ-OAHLLOKOSA-N 0 3 263.743 3.982 10 0 CHAEHN Cc1cc([C@H](N)Cc2ccc(Br)cc2)c(C)o1 ZINC000038128447 174131629 /nfs/dbraw/zinc/13/16/29/174131629.db2.gz UKAYZOMFNPUHQG-CQSZACIVSA-N 0 3 294.192 3.901 10 0 CHAEHN C[C@@H]1CCC[C@@H](OC[C@H](N)c2ccc(F)cc2F)C1 ZINC000040177339 174202348 /nfs/dbraw/zinc/20/23/48/174202348.db2.gz LPYHLUCXMLVGIY-HCKVZZMMSA-N 0 3 269.335 3.560 10 0 CHAEHN N[C@H](c1ccc(Br)s1)C1CCCC1 ZINC000040236149 174212277 /nfs/dbraw/zinc/21/22/77/174212277.db2.gz GNTYOYYVVGXVNR-JTQLQIEISA-N 0 3 260.200 3.701 10 0 CHAEHN CC(C)NCc1csc(-c2ccccc2Cl)n1 ZINC000040414306 174255395 /nfs/dbraw/zinc/25/53/95/174255395.db2.gz KUEGGCDWNDQPME-UHFFFAOYSA-N 0 3 266.797 3.962 10 0 CHAEHN Cc1ccc(CN[C@@H](C)c2sc(C)nc2C)s1 ZINC000040445844 174265122 /nfs/dbraw/zinc/26/51/22/174265122.db2.gz XIAMBUCNOKCGEK-VIFPVBQESA-N 0 3 266.435 3.981 10 0 CHAEHN CC[C@H](C)[C@@H](C)NC1=NC[C@H](c2ccccc2)S1 ZINC000042557918 174794187 /nfs/dbraw/zinc/79/41/87/174794187.db2.gz LLHBWOAYIFZQOV-OUCADQQQSA-N 0 3 262.422 3.855 10 0 CHAEHN COc1cc2c(cc1Cl)CCN[C@@H]2c1ccccc1 ZINC000045287088 175353978 /nfs/dbraw/zinc/35/39/78/175353978.db2.gz SHKRYSPHCKMQQR-MRXNPFEDSA-N 0 3 273.763 3.584 10 0 CHAEHN C[C@H](Cc1cccs1)NC1=NC2(CCCC2)CS1 ZINC000071271499 176104265 /nfs/dbraw/zinc/10/42/65/176104265.db2.gz MQHLTQYPNLNYOR-LLVKDONJSA-N 0 3 280.462 3.684 10 0 CHAEHN COc1ccc2c(c1)C(C)(C)CN[C@H]2COc1ccccc1 ZINC000071652004 176241769 /nfs/dbraw/zinc/24/17/69/176241769.db2.gz AFFLDWFOFIRJIG-SFHVURJKSA-N 0 3 297.398 3.696 10 0 CHAEHN c1ccc(Oc2ccc(-c3n[nH]c4c3CNCC4)cc2)cc1 ZINC000076537664 177035833 /nfs/dbraw/zinc/03/58/33/177035833.db2.gz HEXJQKMHRJNYHR-UHFFFAOYSA-N 0 3 291.354 3.515 10 0 CHAEHN CN[C@@H](C)c1csc(-c2ccc(OC(C)C)cc2)n1 ZINC000076784799 177092312 /nfs/dbraw/zinc/09/23/12/177092312.db2.gz SITREQKNAGRHRH-NSHDSACASA-N 0 3 276.405 3.878 10 0 CHAEHN CC(C)CCC[C@H](C)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037231893 260076421 /nfs/dbraw/zinc/07/64/21/260076421.db2.gz KCPYHBCHXUYBOV-GOEBONIOSA-N 0 3 288.435 3.899 10 0 CHAEHN N[C@H](CC(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000037030536 260063323 /nfs/dbraw/zinc/06/33/23/260063323.db2.gz RPURGFKCSQYBEK-CQSZACIVSA-N 0 3 292.741 3.508 10 0 CHAEHN CC(C)CCC[C@@H](C)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037231892 260076294 /nfs/dbraw/zinc/07/62/94/260076294.db2.gz KCPYHBCHXUYBOV-GDBMZVCRSA-N 0 3 288.435 3.899 10 0 CHAEHN CN1C(=O)C[C@@H](NC2CCC(C)(C)CC2)c2ccccc21 ZINC000079677133 260176814 /nfs/dbraw/zinc/17/68/14/260176814.db2.gz QYPUTIVBZRKTJZ-OAHLLOKOSA-N 0 3 286.419 3.653 10 0 CHAEHN CCCn1ccc(CN[C@@H]2CCCc3occc32)c1 ZINC000091010002 260264430 /nfs/dbraw/zinc/26/44/30/260264430.db2.gz IMTMOQLLGPRBMV-OAHLLOKOSA-N 0 3 258.365 3.658 10 0 CHAEHN CCCn1ccc(CNCc2cccc(OCC)c2)c1 ZINC000091012225 260264773 /nfs/dbraw/zinc/26/47/73/260264773.db2.gz ALWTZRNWSHNQNV-UHFFFAOYSA-N 0 3 272.392 3.587 10 0 CHAEHN CCCn1ccc(CN[C@@H](C)c2cccc(OC)c2)c1 ZINC000091012331 260264873 /nfs/dbraw/zinc/26/48/73/260264873.db2.gz PMOOGRDTPQYJQZ-AWEZNQCLSA-N 0 3 272.392 3.758 10 0 CHAEHN CC[C@H](NCc1cccn1CC)c1ccc(OC)cc1 ZINC000091024435 260265093 /nfs/dbraw/zinc/26/50/93/260265093.db2.gz HDRJSHFXJHEADG-KRWDZBQOSA-N 0 3 272.392 3.758 10 0 CHAEHN CCn1cccc1CN[C@@H](c1ccccc1)C1CC1 ZINC000091024560 260265155 /nfs/dbraw/zinc/26/51/55/260265155.db2.gz TYZKCHSQDFBNAO-KRWDZBQOSA-N 0 3 254.377 3.749 10 0 CHAEHN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1cc(C)ccc1C ZINC000106211216 261322705 /nfs/dbraw/zinc/32/27/05/261322705.db2.gz JETSJKQSRMANJQ-GOSISDBHSA-N 0 3 297.446 3.991 10 0 CHAEHN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@@H](C)c1ccccc1 ZINC000106211424 261322877 /nfs/dbraw/zinc/32/28/77/261322877.db2.gz JWIJYRCDMCJHOU-WMLDXEAASA-N 0 3 283.419 3.935 10 0 CHAEHN Cc1ccc([C@H](C)N[C@@H](C)COCc2ccccc2)o1 ZINC000178066510 261375892 /nfs/dbraw/zinc/37/58/92/261375892.db2.gz VYGMXBGBAYRGGF-ZFWWWQNUSA-N 0 3 273.376 3.844 10 0 CHAEHN CS[C@@H]1CC[C@@H]1N[C@@H](C)c1ccc(C)c(F)c1 ZINC000361954196 266911257 /nfs/dbraw/zinc/91/12/57/266911257.db2.gz WXTVNTFMGNAVPB-LEWSCRJBSA-N 0 3 253.386 3.679 10 0 CHAEHN Cc1c2ccccc2oc1[C@H](C)N[C@@H](CO)CC(C)C ZINC000040775727 328020388 /nfs/dbraw/zinc/02/03/88/328020388.db2.gz PLCUGKCHISNODW-UONOGXRCSA-N 0 3 275.392 3.799 10 0 CHAEHN CNCc1cccc(NC(=O)c2cc3ccccc3s2)c1 ZINC000048856102 328323166 /nfs/dbraw/zinc/32/31/66/328323166.db2.gz XCWWVCUIHDMQCT-UHFFFAOYSA-N 0 3 296.395 3.873 10 0 CHAEHN CCC[C@@H](N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000036872675 326830086 /nfs/dbraw/zinc/83/00/86/326830086.db2.gz BFHAIAHZMVSAOG-CQSZACIVSA-N 0 3 284.359 3.545 10 0 CHAEHN CCn1cncc1CN[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000090170431 327031701 /nfs/dbraw/zinc/03/17/01/327031701.db2.gz KPRDFZJWIUNAJV-HNNXBMFYSA-N 0 3 285.435 3.952 10 0 CHAEHN CC1(C)C[C@@H]1N[C@H]1CCSc2c(F)cccc21 ZINC000045117459 329596984 /nfs/dbraw/zinc/59/69/84/329596984.db2.gz SCOCPGOLINCLRT-RYUDHWBXSA-N 0 3 251.370 3.751 10 0 CHAEHN C[C@H](N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(F)cc1F ZINC000248734906 329898196 /nfs/dbraw/zinc/89/81/96/329898196.db2.gz DNHNPMGKSGZKRT-OWRWGESLSA-N 0 3 281.346 3.573 10 0 CHAEHN Cc1cnn(C)c1CN[C@H](C)c1ccc(C(C)C)cc1 ZINC000285384957 329954194 /nfs/dbraw/zinc/95/41/94/329954194.db2.gz GXECOALLHKBFDZ-CQSZACIVSA-N 0 3 271.408 3.703 10 0 CHAEHN CCOC(=O)CCN[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000044288370 330327235 /nfs/dbraw/zinc/32/72/35/330327235.db2.gz LBJCZEXHSILNCV-SECBINFHSA-N 0 3 290.190 3.597 10 0 CHAEHN C[C@H](N[C@@H]1CCO[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000119818251 330379111 /nfs/dbraw/zinc/37/91/11/330379111.db2.gz GEEUVDMCSVEJAH-MWODSPESSA-N 0 3 274.191 3.821 10 0 CHAEHN Cc1c([C@H](C)N[C@@H]2C[C@@H]2C)cnn1-c1cccc(Cl)c1 ZINC000120412269 330388605 /nfs/dbraw/zinc/38/86/05/330388605.db2.gz DUUKSUPWKPTKJD-XMZIXOGTSA-N 0 3 289.810 3.893 10 0 CHAEHN C[C@H](N[C@H]1C[C@@H]1C)c1ccccc1OC(F)(F)F ZINC000120425304 330388673 /nfs/dbraw/zinc/38/86/73/330388673.db2.gz WSPHHXMOHIQALM-QXEWZRGKSA-N 0 3 259.271 3.644 10 0 CHAEHN CCn1c2ccccc2nc1[C@H](C)N[C@@H](C)C1CCC1 ZINC000090037121 330390128 /nfs/dbraw/zinc/39/01/28/330390128.db2.gz DFFWCCJZJUUEOG-STQMWFEESA-N 0 3 271.408 3.895 10 0 CHAEHN CCC[C@H](N[C@@H]1CCCn2nc(C)nc21)C1CCCCC1 ZINC000090225246 330391630 /nfs/dbraw/zinc/39/16/30/330391630.db2.gz QNSYGDRTRUAAEE-JKSUJKDBSA-N 0 3 290.455 3.760 10 0 CHAEHN CCCCCOc1ccc(CN[C@@H]2CCO[C@@H]2C)cc1 ZINC000149450539 330574224 /nfs/dbraw/zinc/57/42/24/330574224.db2.gz JDURRBDWXUPXBF-RHSMWYFYSA-N 0 3 277.408 3.523 10 0 CHAEHN CC[C@@H](CCO)N[C@@H](c1ccccc1)c1ccccc1C ZINC000166092954 331306686 /nfs/dbraw/zinc/30/66/86/331306686.db2.gz BECVCGDBTLFJTQ-HKUYNNGSSA-N 0 3 283.415 3.835 10 0 CHAEHN C[C@H](N[C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(Cl)s1 ZINC000089216104 333095734 /nfs/dbraw/zinc/09/57/34/333095734.db2.gz BKHMHNLXABAOHN-VWYCJHECSA-N 0 3 284.856 3.677 10 0 CHAEHN OC[C@@H]1CCCC[C@@H]1NCc1cccc(Cl)c1Cl ZINC000219003479 333139875 /nfs/dbraw/zinc/13/98/75/333139875.db2.gz ZVGVBHGTYRSVCI-AAEUAGOBSA-N 0 3 288.218 3.634 10 0 CHAEHN OC[C@@H]1CCCC[C@H]1NCc1cccc(Cl)c1Cl ZINC000219003621 333139952 /nfs/dbraw/zinc/13/99/52/333139952.db2.gz ZVGVBHGTYRSVCI-WCQYABFASA-N 0 3 288.218 3.634 10 0 CHAEHN OC[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1Cl ZINC000219017212 333140336 /nfs/dbraw/zinc/14/03/36/333140336.db2.gz QBEUBUBNMFKNAG-FZMZJTMJSA-N 0 3 288.218 3.634 10 0 CHAEHN OC[C@@H]1CCCC[C@H]1NCc1cc(Cl)ccc1Cl ZINC000229195359 333301463 /nfs/dbraw/zinc/30/14/63/333301463.db2.gz BFIOSESBYIEHNO-IINYFYTJSA-N 0 3 288.218 3.634 10 0 CHAEHN Cc1cnc([C@@H](C)Nc2ccnc3ccccc32)o1 ZINC000235225051 333366884 /nfs/dbraw/zinc/36/68/84/333366884.db2.gz DRKMIVTXKWZFTI-LLVKDONJSA-N 0 3 253.305 3.704 10 0 CHAEHN C[C@H](CCN[C@@H]1COc2ccccc21)c1ccccc1 ZINC000070528703 333815001 /nfs/dbraw/zinc/81/50/01/333815001.db2.gz RIAOVOYEVVEVBH-RHSMWYFYSA-N 0 3 267.372 3.904 10 0 CHAEHN CCCCOC[C@H](O)CN(C)[C@H](C)c1cccc(Cl)c1 ZINC000248658591 334312217 /nfs/dbraw/zinc/31/22/17/334312217.db2.gz UKCLXORMEJNLOY-CZUORRHYSA-N 0 3 299.842 3.510 10 0 CHAEHN C[C@@H](c1ccccc1Cl)N1CCN2CCCC[C@H]2C1 ZINC000251595450 334365067 /nfs/dbraw/zinc/36/50/67/334365067.db2.gz YJLFCNKGDBWGBH-KBPBESRZSA-N 0 3 278.827 3.571 10 0 CHAEHN CC[C@H](NCC1CC(O)C1)c1ccc(Cl)cc1Cl ZINC000091415820 334378124 /nfs/dbraw/zinc/37/81/24/334378124.db2.gz CZKXRCMKVUZHNY-IUVQJJGASA-N 0 3 288.218 3.805 10 0 CHAEHN CCCCN(CC)Cc1csc(CNC(C)(C)C)n1 ZINC000052418662 520479818 /nfs/dbraw/zinc/47/98/18/520479818.db2.gz AVPMMFQKJVJGMI-UHFFFAOYSA-N 0 3 283.485 3.653 10 0 CHAEHN CC(C)Cc1ccc([C@@H](C)NCc2ccnc(N)c2)cc1 ZINC000193471958 519444693 /nfs/dbraw/zinc/44/46/93/519444693.db2.gz YKSOIBUFTINZCR-CQSZACIVSA-N 0 3 283.419 3.713 10 0 CHAEHN CC(C)OCCCN[C@H](c1ccco1)c1ccccc1 ZINC000020198200 519764641 /nfs/dbraw/zinc/76/46/41/519764641.db2.gz WBGVQXLSXASJQI-KRWDZBQOSA-N 0 3 273.376 3.774 10 0 CHAEHN CC(C)c1ccc([C@H](C)NCc2cccn2C)cc1 ZINC000049138020 519839989 /nfs/dbraw/zinc/83/99/89/519839989.db2.gz GWACWQBGTSNBMC-AWEZNQCLSA-N 0 3 256.393 3.999 10 0 CHAEHN CCNCc1csc(-c2cc(Cl)ccc2F)n1 ZINC000052859452 520018045 /nfs/dbraw/zinc/01/80/45/520018045.db2.gz LLZSKTQPQIGHTC-UHFFFAOYSA-N 0 3 270.760 3.712 10 0 CHAEHN CCCN[C@H](Cc1ccccn1)c1ccccc1F ZINC000052898015 520087396 /nfs/dbraw/zinc/08/73/96/520087396.db2.gz FZHIPFYOPLUPRA-MRXNPFEDSA-N 0 3 258.340 3.504 10 0 CHAEHN CCCN[C@H](c1cc(F)ccc1F)[C@@H]1CCCCO1 ZINC000050962489 520089365 /nfs/dbraw/zinc/08/93/65/520089365.db2.gz LTRFYHUYCARXDZ-LSDHHAIUSA-N 0 3 269.335 3.575 10 0 CHAEHN CCN[C@@H](c1ccc2c(c1)CCO2)C1=CCCCC1 ZINC000050892195 520112698 /nfs/dbraw/zinc/11/26/98/520112698.db2.gz HLUYHHUGYDFVHN-QGZVFWFLSA-N 0 3 257.377 3.773 10 0 CHAEHN CCN[C@H](C)c1ccc(-c2cc(F)cc(F)c2)o1 ZINC000052924148 520176238 /nfs/dbraw/zinc/17/62/38/520176238.db2.gz MKGRSBCYQJYINK-SECBINFHSA-N 0 3 251.276 3.895 10 0 CHAEHN CCCCCN(c1ncc([C@@H](C)N)s1)C(C)C ZINC000054897773 520178233 /nfs/dbraw/zinc/17/82/33/520178233.db2.gz NMECZMNFFUTJAX-LLVKDONJSA-N 0 3 255.431 3.568 10 0 CHAEHN CCN[C@H](c1ccc(Cl)s1)[C@@H]1CCCCO1 ZINC000050962175 520208675 /nfs/dbraw/zinc/20/86/75/520208675.db2.gz CGODTPNEVOSDBJ-CABZTGNLSA-N 0 3 259.802 3.621 10 0 CHAEHN CCCOc1cccc([C@@H](NC)c2cccs2)c1 ZINC000061667625 520465239 /nfs/dbraw/zinc/46/52/39/520465239.db2.gz OAVQAUYBTLBICU-OAHLLOKOSA-N 0 3 261.390 3.846 10 0 CHAEHN CCN(Cc1ccccc1)c1ccc(Cl)cc1CN ZINC000052856636 521376080 /nfs/dbraw/zinc/37/60/80/521376080.db2.gz ZLKLAYZAHKDAFE-UHFFFAOYSA-N 0 3 274.795 3.825 10 0 CHAEHN CCOc1cccc([C@@H](N)c2ccc(F)c(C)c2)c1 ZINC000055205067 521414086 /nfs/dbraw/zinc/41/40/86/521414086.db2.gz QVGSHVCKFMZQQE-MRXNPFEDSA-N 0 3 259.324 3.581 10 0 CHAEHN CCCN(CCC(=O)c1ccccc1Cl)C1CC1 ZINC000053978835 521630182 /nfs/dbraw/zinc/63/01/82/521630182.db2.gz NTKLJOMXUZQFKC-UHFFFAOYSA-N 0 3 265.784 3.787 10 0 CHAEHN CCc1cccc(Oc2c(F)cc(CN)cc2F)c1 ZINC000062719961 521782106 /nfs/dbraw/zinc/78/21/06/521782106.db2.gz DKQIWSMVUMKHEN-UHFFFAOYSA-N 0 3 263.287 3.778 10 0 CHAEHN CNCc1ccoc1COc1ccc(Cl)c(Cl)c1 ZINC000052702448 522143368 /nfs/dbraw/zinc/14/33/68/522143368.db2.gz IKZWGEKFHDGLHQ-UHFFFAOYSA-N 0 3 286.158 3.885 10 0 CHAEHN CNCc1occc1COc1ccc(Cl)cc1C ZINC000052677710 522165198 /nfs/dbraw/zinc/16/51/98/522165198.db2.gz UAMCKRNXYMGDDA-UHFFFAOYSA-N 0 3 265.740 3.540 10 0 CHAEHN CN[C@H](C)c1cc(F)ccc1OCc1cccs1 ZINC000049585749 522443954 /nfs/dbraw/zinc/44/39/54/522443954.db2.gz PETCCMFHGAOCGX-SNVBAGLBSA-N 0 3 265.353 3.747 10 0 CHAEHN CN[C@H](CC(C)(C)C)c1cc(OC)c(OC)cc1F ZINC000061561285 522456384 /nfs/dbraw/zinc/45/63/84/522456384.db2.gz ALTYUVDCIDFIDR-GFCCVEGCSA-N 0 3 269.360 3.540 10 0 CHAEHN CNc1ccc(Cl)c(CN2CCCCCCC2)n1 ZINC000061630868 522623122 /nfs/dbraw/zinc/62/31/22/522623122.db2.gz PRDUZPVRUVPYJS-UHFFFAOYSA-N 0 3 267.804 3.543 10 0 CHAEHN CC[C@@H](N[C@@H]1CCO[C@@H]1C)c1ccc(Cl)s1 ZINC000293349255 522927956 /nfs/dbraw/zinc/92/79/56/522927956.db2.gz GXPIEUWXMCJQQS-OPRDCNLKSA-N 0 3 259.802 3.620 10 0 CHAEHN CC[C@@H]1CCCN(c2nc(C(C)(C)C)c(CN)s2)C1 ZINC000054997564 523255744 /nfs/dbraw/zinc/25/57/44/523255744.db2.gz AARNSYMAOJXLDR-LLVKDONJSA-N 0 3 281.469 3.526 10 0 CHAEHN C[C@H]1CCC[C@H](Sc2nc3c(cc2CN)CCC3)C1 ZINC000054692444 524212548 /nfs/dbraw/zinc/21/25/48/524212548.db2.gz IXBZUWNFFSKTSX-FZMZJTMJSA-N 0 3 276.449 3.700 10 0 CHAEHN C[C@@H]1CCC[C@@H](Oc2ccc(Cl)cc2CN)C1 ZINC000052858407 524318288 /nfs/dbraw/zinc/31/82/88/524318288.db2.gz FVLKBPXZADLQJI-ZWNOBZJWSA-N 0 3 253.773 3.756 10 0 CHAEHN Cc1ccc(CN(C)c2ccc(Cl)cc2CN)cc1 ZINC000052856623 524401014 /nfs/dbraw/zinc/40/10/14/524401014.db2.gz POOYFLHRXUMHID-UHFFFAOYSA-N 0 3 274.795 3.744 10 0 CHAEHN C[C@](N)(c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000055238394 525149662 /nfs/dbraw/zinc/14/96/62/525149662.db2.gz CQMDCHNOAYMWDC-AWEZNQCLSA-N 0 3 267.706 3.840 10 0 CHAEHN Cc1ccccc1COc1cc(F)ccc1[C@H](C)N ZINC000062745891 525172376 /nfs/dbraw/zinc/17/23/76/525172376.db2.gz WYFXAZPFXIEMPB-LBPRGKRZSA-N 0 3 259.324 3.733 10 0 CHAEHN C[C@@H](NCc1cc[nH]c1)c1cccc(Br)c1 ZINC000080778023 525516971 /nfs/dbraw/zinc/51/69/71/525516971.db2.gz KODLLSSUIWTYTP-SNVBAGLBSA-N 0 3 279.181 3.628 10 0 CHAEHN C[C@@H]1[C@@H](C)CCCN1c1cc(Br)ccc1CN ZINC000050565992 525643731 /nfs/dbraw/zinc/64/37/31/525643731.db2.gz MITJUXMENMIJGK-WDEREUQCSA-N 0 3 297.240 3.533 10 0 CHAEHN Cc1ccc([C@@H](C)NCc2cncc(F)c2)cc1C ZINC000275188957 525736098 /nfs/dbraw/zinc/73/60/98/525736098.db2.gz OPPVVMQYDJZVFG-CYBMUJFWSA-N 0 3 258.340 3.688 10 0 CHAEHN C[C@@](N)(c1cc(F)cc(F)c1)c1ccccc1Cl ZINC000055195915 525751420 /nfs/dbraw/zinc/75/14/20/525751420.db2.gz OZIYLZWOANVMHY-CQSZACIVSA-N 0 3 267.706 3.840 10 0 CHAEHN C[C@@H](c1nc(-c2ccsc2)no1)[C@@H](N)c1ccccc1 ZINC000157948651 526166630 /nfs/dbraw/zinc/16/66/30/526166630.db2.gz WMRDJXZEWCGKEQ-ZWNOBZJWSA-N 0 3 285.372 3.602 10 0 CHAEHN c1coc([C@@H](NCCCOCC2CC2)c2ccccc2)c1 ZINC000020190865 526569061 /nfs/dbraw/zinc/56/90/61/526569061.db2.gz AGBZYTQHDQVHEY-SFHVURJKSA-N 0 3 285.387 3.775 10 0 CHAEHN Cc1nc(-c2cccc(F)c2)sc1CNC1CC1 ZINC000052330905 526583643 /nfs/dbraw/zinc/58/36/43/526583643.db2.gz BFTVBAPUKOWXGA-UHFFFAOYSA-N 0 3 262.353 3.510 10 0 CHAEHN Cc1nc(Cc2ccc(Cl)cc2Cl)ncc1[C@@H](C)N ZINC000054962490 526927945 /nfs/dbraw/zinc/92/79/45/526927945.db2.gz STMZYHCJFPKHFI-MRVPVSSYSA-N 0 3 296.201 3.702 10 0 CHAEHN Cc1nc(N(C)[C@H](C)c2cccs2)sc1[C@@H](C)N ZINC000054897394 526951891 /nfs/dbraw/zinc/95/18/91/526951891.db2.gz RMEFJNWGBSXTRU-PSASIEDQSA-N 0 3 281.450 3.730 10 0 CHAEHN NCc1c(Cl)cccc1OC1CCCCCC1 ZINC000052904872 527244090 /nfs/dbraw/zinc/24/40/90/527244090.db2.gz UTIDVYCXVPMCCJ-UHFFFAOYSA-N 0 3 253.773 3.900 10 0 CHAEHN N[C@@H](c1cnc2ccccc2c1)c1ccccc1Cl ZINC000050438797 527339380 /nfs/dbraw/zinc/33/93/80/527339380.db2.gz HUNGRUQNYDIQPD-INIZCTEOSA-N 0 3 268.747 3.936 10 0 CHAEHN Cc1nn(C)cc1CN[C@@H](C)c1ccc2ccccc2c1 ZINC000157690194 527693097 /nfs/dbraw/zinc/69/30/97/527693097.db2.gz UUFBALOGPHSDOD-ZDUSSCGKSA-N 0 3 279.387 3.733 10 0 CHAEHN COCCCNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000013722519 567867510 /nfs/dbraw/zinc/86/75/10/567867510.db2.gz HCJWNFXEAYNLDG-UHFFFAOYSA-N 0 3 279.767 3.726 10 0 CHAEHN C[C@H]1C[C@H](C)CN(Cc2cc(N)ccc2Br)C1 ZINC000128345075 570369252 /nfs/dbraw/zinc/36/92/52/570369252.db2.gz CXOCMRKYCQTQCR-QWRGUYRKSA-N 0 3 297.240 3.509 10 0 CHAEHN CCOc1c(CN[C@@H](C)CC)cc(Cl)cc1OC ZINC000010474898 567861789 /nfs/dbraw/zinc/86/17/89/567861789.db2.gz DJMLUCJDZZVQKC-JTQLQIEISA-N 0 3 271.788 3.635 10 0 CHAEHN C[C@]1(N2CCC2)CC=C(c2ccccc2C=O)CC1 ZINC000725256661 570259382 /nfs/dbraw/zinc/25/93/82/570259382.db2.gz AQODQUJLISWQJV-KRWDZBQOSA-N 0 3 255.361 3.531 10 0 CHAEHN Cc1ccc(CN(C)C[C@H](O)c2ccccc2Cl)s1 ZINC000102773269 1122944416 /nfs/dbraw/zinc/94/44/16/1122944416.db2.gz ICULAVBEPOPWHJ-HNNXBMFYSA-N 0 3 295.835 3.875 10 0 CHAEHN COc1c(C)cc(CN[C@H](C)c2cccc(O)c2)cc1C ZINC000105461042 1123052291 /nfs/dbraw/zinc/05/22/91/1123052291.db2.gz YZRIBQUZALQOCV-CQSZACIVSA-N 0 3 285.387 3.868 10 0 CHAEHN CC[C@H](C)[C@@H](C)N(CC(=O)Nc1ccccc1F)C1CC1 ZINC000104967783 1125456539 /nfs/dbraw/zinc/45/65/39/1125456539.db2.gz WLTPXJDQSDRYRE-QWHCGFSZSA-N 0 3 292.398 3.663 10 0 CHAEHN CCCNCc1sc(CSCC)nc1CCC ZINC000082427777 178003731 /nfs/dbraw/zinc/00/37/31/178003731.db2.gz SXKMYTZKEHIYTM-UHFFFAOYSA-N 0 3 272.483 3.848 10 0 CHAEHN CCCNCc1sc([C@H]2CCCO2)nc1C(C)C ZINC000082430618 178007906 /nfs/dbraw/zinc/00/79/06/178007906.db2.gz FCLPBADUWNBMIW-LLVKDONJSA-N 0 3 268.426 3.618 10 0 CHAEHN c1coc(-c2nc(C3CC3)c(CNC3CC3)s2)c1 ZINC000082436849 178014676 /nfs/dbraw/zinc/01/46/76/178014676.db2.gz ORLKWTCRQKUNPV-UHFFFAOYSA-N 0 3 260.362 3.533 10 0 CHAEHN CC(C)SCc1nc(C(C)(C)C)c(CN)s1 ZINC000082439739 178017852 /nfs/dbraw/zinc/01/78/52/178017852.db2.gz FDUVXJQCSVNXEV-UHFFFAOYSA-N 0 3 258.456 3.541 10 0 CHAEHN CCC1(CC)C[C@@H](NC)c2cc(Cl)ccc2O1 ZINC000082508396 178073920 /nfs/dbraw/zinc/07/39/20/178073920.db2.gz SXJULOPRPKPZHK-GFCCVEGCSA-N 0 3 253.773 3.942 10 0 CHAEHN N[C@H](c1ccc(Cl)s1)[C@H]1CCOc2ccccc21 ZINC000104201351 185928730 /nfs/dbraw/zinc/92/87/30/185928730.db2.gz QMNCEJPWNCYPRH-HZMBPMFUSA-N 0 3 279.792 3.968 10 0 CHAEHN COCCc1ccc([C@H](N)c2cc(C)ccc2C)cc1 ZINC000019970922 170954655 /nfs/dbraw/zinc/95/46/55/170954655.db2.gz CUBLXLCNPZTLBJ-SFHVURJKSA-N 0 3 269.388 3.540 10 0 CHAEHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCC2)c1ccncc1 ZINC000020121815 171001306 /nfs/dbraw/zinc/00/13/06/171001306.db2.gz AVJQCVKFTOTAGJ-KGLIPLIRSA-N 0 3 266.388 3.982 10 0 CHAEHN CN(C)C[C@H](N[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000020129375 171017355 /nfs/dbraw/zinc/01/73/55/171017355.db2.gz LYZGRXOZMSWMMN-MOPGFXCFSA-N 0 3 280.415 3.566 10 0 CHAEHN C[C@H](N[C@@H]1CCOc2ccccc21)c1cccs1 ZINC000020148525 171036585 /nfs/dbraw/zinc/03/65/85/171036585.db2.gz XRNQOIVNCRRYBN-WCQYABFASA-N 0 3 259.374 3.923 10 0 CHAEHN C[C@@H](NC1c2ccccc2-c2ccccc21)[C@H]1CCCO1 ZINC000020206409 171071184 /nfs/dbraw/zinc/07/11/84/171071184.db2.gz PKJBEXBXBOKRKI-FZKQIMNGSA-N 0 3 279.383 3.914 10 0 CHAEHN C[C@@H](N[C@@H](C)[C@@H]1CCCO1)c1ccccc1Br ZINC000020206731 171071594 /nfs/dbraw/zinc/07/15/94/171071594.db2.gz OOPBOOGRNSHMKO-SUNKGSAMSA-N 0 3 298.224 3.667 10 0 CHAEHN CN(Cc1ccccc1Cl)[C@@H](CN)c1ccccc1F ZINC000020225606 171088274 /nfs/dbraw/zinc/08/82/74/171088274.db2.gz PBVXZNHAYXYATK-INIZCTEOSA-N 0 3 292.785 3.611 10 0 CHAEHN Cc1ccc([C@@H](N)c2ccc3c(c2)CCC3)cc1F ZINC000020384601 171175189 /nfs/dbraw/zinc/17/51/89/171175189.db2.gz SOLFKLUBSCSJOU-KRWDZBQOSA-N 0 3 255.336 3.671 10 0 CHAEHN COc1ccc(F)cc1[C@@H](N)c1cccc(Cl)c1 ZINC000020470551 171212348 /nfs/dbraw/zinc/21/23/48/171212348.db2.gz LLIIWLPPLUEHSB-AWEZNQCLSA-N 0 3 265.715 3.536 10 0 CHAEHN Cc1ccc(NC(=O)C[C@H](N)c2ccccc2)c(Cl)c1 ZINC000020471402 171214104 /nfs/dbraw/zinc/21/41/04/171214104.db2.gz WKCBAFMGCNYSLM-AWEZNQCLSA-N 0 3 288.778 3.677 10 0 CHAEHN COc1ccc([C@H](N)[C@H](C)OCCCC(C)C)cc1 ZINC000020511610 171231321 /nfs/dbraw/zinc/23/13/21/171231321.db2.gz HGKNCEFRUXPELZ-XJKSGUPXSA-N 0 3 265.397 3.536 10 0 CHAEHN CC(C)c1ccc(O[C@@H]2COc3ccccc3[C@H]2N)cc1 ZINC000020566882 171254648 /nfs/dbraw/zinc/25/46/48/171254648.db2.gz KCIWEMHBWKHWOO-QZTJIDSGSA-N 0 3 283.371 3.650 10 0 CHAEHN Cc1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000020595902 171264433 /nfs/dbraw/zinc/26/44/33/171264433.db2.gz PRPDWWTVAKJLKC-QGZVFWFLSA-N 0 3 284.378 3.821 10 0 CHAEHN Fc1ccccc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000020595881 171264563 /nfs/dbraw/zinc/26/45/63/171264563.db2.gz OOBZMOWFOHYWBT-HNNXBMFYSA-N 0 3 270.351 3.512 10 0 CHAEHN CCCOc1ccccc1CNCCc1ccc(F)cc1 ZINC000020924500 171280123 /nfs/dbraw/zinc/28/01/23/171280123.db2.gz KOYXKUMEGJCCLP-UHFFFAOYSA-N 0 3 287.378 3.947 10 0 CHAEHN CCc1ccc(OC[C@@H](N)c2ccccc2C)cc1 ZINC000021009647 171286421 /nfs/dbraw/zinc/28/64/21/171286421.db2.gz QXKVTBPFMUQJMU-QGZVFWFLSA-N 0 3 255.361 3.636 10 0 CHAEHN CCOc1ccccc1[C@H](N)COc1ccc(CC)cc1 ZINC000021014011 171288986 /nfs/dbraw/zinc/28/89/86/171288986.db2.gz GQWNBALXBGFECW-QGZVFWFLSA-N 0 3 285.387 3.727 10 0 CHAEHN CCc1ccc(OC[C@@H](N)c2ccc(C)cc2)cc1 ZINC000021013745 171288996 /nfs/dbraw/zinc/28/89/96/171288996.db2.gz PAGDGXDPBICCPB-QGZVFWFLSA-N 0 3 255.361 3.636 10 0 CHAEHN Cc1cccc(O[C@H](C)[C@@H](N)c2ccccc2)c1C ZINC000021057035 171296107 /nfs/dbraw/zinc/29/61/07/171296107.db2.gz DCUAHRWOTCUZKU-RHSMWYFYSA-N 0 3 255.361 3.771 10 0 CHAEHN Cc1ccc([C@H](N)CO[C@H]2CCCC[C@@H]2C)cc1C ZINC000021501900 171305719 /nfs/dbraw/zinc/30/57/19/171305719.db2.gz DYDAUAZJBUDHRZ-XKQJLSEDSA-N 0 3 261.409 3.899 10 0 CHAEHN CC(C)(C)c1ccc(O[C@H]2Cc3ccccc3[C@@H]2N)cc1 ZINC000021504121 171306771 /nfs/dbraw/zinc/30/67/71/171306771.db2.gz BVTRZYUXHYGDRH-ROUUACIJSA-N 0 3 281.399 3.988 10 0 CHAEHN N[C@@H]1c2ccccc2C[C@@H]1Oc1ccc2ccccc2c1 ZINC000021504336 171307188 /nfs/dbraw/zinc/30/71/88/171307188.db2.gz MYOGJYIDFZJMAS-RBUKOAKNSA-N 0 3 275.351 3.843 10 0 CHAEHN Cc1ccc(O[C@@H](C)[C@@H](N)c2ccccc2)cc1C ZINC000021507883 171308735 /nfs/dbraw/zinc/30/87/35/171308735.db2.gz ZYGLRYVDYMBSDX-WMLDXEAASA-N 0 3 255.361 3.771 10 0 CHAEHN Cc1ccc(OC[C@@H](N)c2cc(C)ccc2C)cc1 ZINC000021516796 171313193 /nfs/dbraw/zinc/31/31/93/171313193.db2.gz UVJOONXZCRBCIN-QGZVFWFLSA-N 0 3 255.361 3.691 10 0 CHAEHN CC(C)c1ccc(O[C@@H]2Cc3ccccc3[C@H]2N)cc1 ZINC000021792068 171324216 /nfs/dbraw/zinc/32/42/16/171324216.db2.gz FIUDKLHLSBFSBL-QZTJIDSGSA-N 0 3 267.372 3.814 10 0 CHAEHN Cc1cc(C)c([C@H](N)COC2CCCCC2)c(C)c1 ZINC000021815759 171332069 /nfs/dbraw/zinc/33/20/69/171332069.db2.gz GHFUILDJKGTKTE-MRXNPFEDSA-N 0 3 261.409 3.961 10 0 CHAEHN CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CCCCN1 ZINC000022015225 171349850 /nfs/dbraw/zinc/34/98/50/171349850.db2.gz DRQZNYLBSJTDDD-CYBMUJFWSA-N 0 3 276.380 3.848 10 0 CHAEHN CC(C)c1cccc(O[C@@H]2Cc3ccccc3[C@@H]2N)c1 ZINC000022151006 171358572 /nfs/dbraw/zinc/35/85/72/171358572.db2.gz JWEIKAWHBVPCMV-MSOLQXFVSA-N 0 3 267.372 3.814 10 0 CHAEHN C[C@@H](N)c1ccccc1NC(=O)CCC1CCCC1 ZINC000022213263 171374168 /nfs/dbraw/zinc/37/41/68/171374168.db2.gz HEGAORPHZUKDAI-GFCCVEGCSA-N 0 3 260.381 3.615 10 0 CHAEHN CC[C@@H](C)c1ccccc1Oc1ccc(CN)cn1 ZINC000022218519 171376704 /nfs/dbraw/zinc/37/67/04/171376704.db2.gz IAMWYKYULQCISW-GFCCVEGCSA-N 0 3 256.349 3.846 10 0 CHAEHN Cc1cc(C)cc(C(=O)Nc2ccccc2[C@H](C)N)c1 ZINC000022222061 171378885 /nfs/dbraw/zinc/37/88/85/171378885.db2.gz NTTYAPHPQQRDPL-ZDUSSCGKSA-N 0 3 268.360 3.575 10 0 CHAEHN CC(C)[C@@H](Oc1ccccc1)[C@H](N)c1ccccc1 ZINC000022565849 171392034 /nfs/dbraw/zinc/39/20/34/171392034.db2.gz XHRJPHQQJCFCDK-IAGOWNOFSA-N 0 3 255.361 3.790 10 0 CHAEHN Fc1cccc(CCNCc2ccc3ccccc3n2)c1 ZINC000035143021 172010123 /nfs/dbraw/zinc/01/01/23/172010123.db2.gz RZFCPYOQXJFWGY-UHFFFAOYSA-N 0 3 280.346 3.706 10 0 CHAEHN Cc1ccc(Cl)cc1NC(=O)CNC1CCCCCC1 ZINC000035159904 172018123 /nfs/dbraw/zinc/01/81/23/172018123.db2.gz FHGBEBZIMFMGLB-UHFFFAOYSA-N 0 3 294.826 3.899 10 0 CHAEHN C[C@@H](N[C@@H](C)c1ccc(Cl)s1)[C@@H]1CCCO1 ZINC000035286352 172104591 /nfs/dbraw/zinc/10/45/91/172104591.db2.gz CUEXPFRCJCIZFS-UTLUCORTSA-N 0 3 259.802 3.620 10 0 CHAEHN C[C@@H](NC1=NC[C@@H](C)S1)C12CC3CC(CC(C3)C1)C2 ZINC000035294344 172105956 /nfs/dbraw/zinc/10/59/56/172105956.db2.gz IQLZPKMURIDLPX-YIZLIVJESA-N 0 3 278.465 3.672 10 0 CHAEHN COc1ccc([C@H](N)c2ccsc2)c2ccccc12 ZINC000035381788 172164440 /nfs/dbraw/zinc/16/44/40/172164440.db2.gz VZHZZCHLOIHYHN-MRXNPFEDSA-N 0 3 269.369 3.958 10 0 CHAEHN Cc1occc1[C@@H](N)c1ccc(Cl)c(Cl)c1 ZINC000035382396 172165207 /nfs/dbraw/zinc/16/52/07/172165207.db2.gz PTZVQBWXDZYZAO-LBPRGKRZSA-N 0 3 256.132 3.943 10 0 CHAEHN COc1ccc([C@H](N)c2cccc(Cl)c2)cc1F ZINC000035424305 172192351 /nfs/dbraw/zinc/19/23/51/172192351.db2.gz JRRLUXHQTJAREG-CQSZACIVSA-N 0 3 265.715 3.536 10 0 CHAEHN CCCC[C@@H](NC)c1cc(Br)ccc1OC ZINC000035456097 172206936 /nfs/dbraw/zinc/20/69/36/172206936.db2.gz FKESHYRZYFKOOL-GFCCVEGCSA-N 0 3 286.213 3.908 10 0 CHAEHN CN[C@H](c1ccc(C)s1)c1cncc(Br)c1 ZINC000035458866 172208596 /nfs/dbraw/zinc/20/85/96/172208596.db2.gz WASCURKXVKDMTR-LBPRGKRZSA-N 0 3 297.221 3.523 10 0 CHAEHN CCc1ccc([C@H](NC)c2ccccc2OC)s1 ZINC000035461030 172210093 /nfs/dbraw/zinc/21/00/93/172210093.db2.gz YNSOFOJYMYCEAC-OAHLLOKOSA-N 0 3 261.390 3.628 10 0 CHAEHN CN[C@@H](c1cccs1)c1ccc(Br)s1 ZINC000035487839 172223257 /nfs/dbraw/zinc/22/32/57/172223257.db2.gz UHQDETSLSDYDPJ-JTQLQIEISA-N 0 3 288.235 3.881 10 0 CHAEHN CN[C@@H](c1sccc1C)c1ccc(F)c(F)c1 ZINC000035494139 172227608 /nfs/dbraw/zinc/22/76/08/172227608.db2.gz ZDUTUVCVAGJHDZ-GFCCVEGCSA-N 0 3 253.317 3.644 10 0 CHAEHN CCN[C@@H](c1ccc(C)s1)c1ccccc1OC ZINC000035510295 172241801 /nfs/dbraw/zinc/24/18/01/172241801.db2.gz PCYHPICMZABWOL-OAHLLOKOSA-N 0 3 261.390 3.764 10 0 CHAEHN CCN[C@H](c1cc2c(s1)CCC2)c1ccccc1 ZINC000035540439 172246796 /nfs/dbraw/zinc/24/67/96/172246796.db2.gz SISKDTQJAPPWSS-INIZCTEOSA-N 0 3 257.402 3.936 10 0 CHAEHN CCN[C@H](c1ccc(OC)cc1)c1cccc(F)c1 ZINC000035540863 172247695 /nfs/dbraw/zinc/24/76/95/172247695.db2.gz NSVFQCLOCSLWQP-MRXNPFEDSA-N 0 3 259.324 3.533 10 0 CHAEHN CCN[C@H](c1cccs1)c1ccc(OCC)cc1 ZINC000035541213 172248645 /nfs/dbraw/zinc/24/86/45/172248645.db2.gz SMTFREGIYLGQTA-HNNXBMFYSA-N 0 3 261.390 3.846 10 0 CHAEHN CCN[C@@H](c1cccs1)c1ccc(OCC)cc1 ZINC000035541214 172249056 /nfs/dbraw/zinc/24/90/56/172249056.db2.gz SMTFREGIYLGQTA-OAHLLOKOSA-N 0 3 261.390 3.846 10 0 CHAEHN CCN[C@H](CC(C)(C)C)c1cc(F)ccc1OC ZINC000035554602 172260884 /nfs/dbraw/zinc/26/08/84/172260884.db2.gz KYCHDLPZUKEGJI-CYBMUJFWSA-N 0 3 253.361 3.921 10 0 CHAEHN CCCN[C@H](c1ccc(C)o1)c1ccc(OC)cc1 ZINC000035576230 172272618 /nfs/dbraw/zinc/27/26/18/172272618.db2.gz FBUBYEKWMICRIB-INIZCTEOSA-N 0 3 259.349 3.686 10 0 CHAEHN CCCN[C@H](c1ccc(Cl)s1)c1ccncc1 ZINC000035583566 172281725 /nfs/dbraw/zinc/28/17/25/172281725.db2.gz LDYOEYFSISCPPL-ZDUSSCGKSA-N 0 3 266.797 3.886 10 0 CHAEHN CCCN[C@@H](c1ccc(Cl)s1)c1ccncc1 ZINC000035583567 172281885 /nfs/dbraw/zinc/28/18/85/172281885.db2.gz LDYOEYFSISCPPL-CYBMUJFWSA-N 0 3 266.797 3.886 10 0 CHAEHN NCc1ccc(Oc2ccc(Cl)cc2Cl)nc1 ZINC000035719827 172373973 /nfs/dbraw/zinc/37/39/73/172373973.db2.gz ZNBTXEDQPFMFQV-UHFFFAOYSA-N 0 3 269.131 3.639 10 0 CHAEHN NCc1cccnc1Sc1cc(Cl)ccc1Cl ZINC000035720054 172374911 /nfs/dbraw/zinc/37/49/11/172374911.db2.gz KAKAILFIKHJVJJ-UHFFFAOYSA-N 0 3 285.199 3.998 10 0 CHAEHN CCCN[C@H]1C[C@H](C)Oc2ccc(Br)cc21 ZINC000035751471 172396402 /nfs/dbraw/zinc/39/64/02/172396402.db2.gz MYNVDIAFAAVDNY-CABZTGNLSA-N 0 3 284.197 3.661 10 0 CHAEHN CCc1ccc([C@@H](N)[C@H](C)Oc2ccccc2)cc1 ZINC000037224102 173044643 /nfs/dbraw/zinc/04/46/43/173044643.db2.gz SUEJYFNGOXOYEV-GUYCJALGSA-N 0 3 255.361 3.716 10 0 CHAEHN CNCc1cc(F)ccc1Oc1ccc(C)c(C)c1 ZINC000037237706 173054946 /nfs/dbraw/zinc/05/49/46/173054946.db2.gz QXCZXBWYQMHJNE-UHFFFAOYSA-N 0 3 259.324 3.954 10 0 CHAEHN CC[C@@H](C)c1ccc(N[C@H]2CN3CCC2CC3)cc1 ZINC000037413370 173190039 /nfs/dbraw/zinc/19/00/39/173190039.db2.gz WOLVWZMMSQAXPR-DYVFJYSZSA-N 0 3 258.409 3.706 10 0 CHAEHN CC(C)(C)c1cccc(Oc2ccc(CN)cn2)c1 ZINC000037428774 173199458 /nfs/dbraw/zinc/19/94/58/173199458.db2.gz TZTOHMYALASDMW-UHFFFAOYSA-N 0 3 256.349 3.630 10 0 CHAEHN CCC[C@H](N)c1nc2cc(Cl)ccc2n1CCC ZINC000037440538 173210635 /nfs/dbraw/zinc/21/06/35/173210635.db2.gz QJBZKNNVAHMGPV-NSHDSACASA-N 0 3 265.788 3.900 10 0 CHAEHN CC[C@@H](N)c1nc2cc(Br)ccc2n1C(C)C ZINC000037441741 173211188 /nfs/dbraw/zinc/21/11/88/173211188.db2.gz YMIFBTPJYCFSBW-SNVBAGLBSA-N 0 3 296.212 3.790 10 0 CHAEHN CCC[C@@H](N)c1nc2cc(Br)ccc2n1CC ZINC000037441489 173211422 /nfs/dbraw/zinc/21/14/22/173211422.db2.gz LCXZBSFLJGADON-SNVBAGLBSA-N 0 3 296.212 3.619 10 0 CHAEHN CCN[C@H](c1c(F)cc(OC)cc1F)C(C)(C)C ZINC000037998964 173960974 /nfs/dbraw/zinc/96/09/74/173960974.db2.gz PHUINAALDULWGJ-CYBMUJFWSA-N 0 3 257.324 3.670 10 0 CHAEHN C[C@H](NC[C@H]1Cc2ccccc2O1)c1ccccc1Cl ZINC000038009250 173974258 /nfs/dbraw/zinc/97/42/58/173974258.db2.gz KQVDLPGFXZQGSL-GXTWGEPZSA-N 0 3 287.790 3.994 10 0 CHAEHN Cc1cc([C@@H](C)N2CCc3c(N)cccc3C2)c(C)o1 ZINC000038032537 174028575 /nfs/dbraw/zinc/02/85/75/174028575.db2.gz VUMLLMBQRORHQW-GFCCVEGCSA-N 0 3 270.376 3.598 10 0 CHAEHN CCn1c2ccc(F)cc2nc1[C@@H](N)C1CCCCC1 ZINC000038036797 174036008 /nfs/dbraw/zinc/03/60/08/174036008.db2.gz KADFCJTYCVZBFY-HNNXBMFYSA-N 0 3 275.371 3.775 10 0 CHAEHN CCNCc1ccc(-c2ccc(F)cc2F)cc1F ZINC000038072378 174082968 /nfs/dbraw/zinc/08/29/68/174082968.db2.gz XBRKIIRCMYXBCV-UHFFFAOYSA-N 0 3 265.278 3.880 10 0 CHAEHN CNCc1cc(-c2ccc(OC)c(Cl)c2)ccc1F ZINC000038073295 174083343 /nfs/dbraw/zinc/08/33/43/174083343.db2.gz VRYCQFFZIQBSPJ-UHFFFAOYSA-N 0 3 279.742 3.874 10 0 CHAEHN CN[C@H](Cc1ccc(Cl)cc1)c1ccccc1F ZINC000038134290 174132657 /nfs/dbraw/zinc/13/26/57/174132657.db2.gz XYFZERGQUXRWIM-OAHLLOKOSA-N 0 3 263.743 3.982 10 0 CHAEHN Cc1nccn1C[C@@H](N)c1ccc(-c2ccccc2)cc1 ZINC000038827586 174155846 /nfs/dbraw/zinc/15/58/46/174155846.db2.gz BWXXBIUNIMYBCU-GOSISDBHSA-N 0 3 277.371 3.559 10 0 CHAEHN NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCCCCC1 ZINC000039142611 174164117 /nfs/dbraw/zinc/16/41/17/174164117.db2.gz XSNJWNYBKDEADW-CQSZACIVSA-N 0 3 287.234 3.869 10 0 CHAEHN CCN[C@@H](c1cccc(C)c1)c1cc(F)cc(F)c1 ZINC000043388033 175033000 /nfs/dbraw/zinc/03/30/00/175033000.db2.gz HZZWQCPCTVXBMP-INIZCTEOSA-N 0 3 261.315 3.972 10 0 CHAEHN CN[C@H](C)c1csc(-c2ccc(Br)cc2)n1 ZINC000070841065 176008323 /nfs/dbraw/zinc/00/83/23/176008323.db2.gz DCRHCTBBLDJEFN-MRVPVSSYSA-N 0 3 297.221 3.853 10 0 CHAEHN CCCN[C@H](C)c1csc(-c2cccc(OC)c2)n1 ZINC000076784318 177091792 /nfs/dbraw/zinc/09/17/92/177091792.db2.gz TYALVFJGHHHAPX-LLVKDONJSA-N 0 3 276.405 3.879 10 0 CHAEHN CN[C@H](C)c1csc(-c2ccc(OC(C)C)cc2)n1 ZINC000076784797 177092291 /nfs/dbraw/zinc/09/22/91/177092291.db2.gz SITREQKNAGRHRH-LLVKDONJSA-N 0 3 276.405 3.878 10 0 CHAEHN FC1(F)CCC[C@@H](N[C@@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000330206456 228066099 /nfs/dbraw/zinc/06/60/99/228066099.db2.gz DGLLMAQNVMEVIW-CHWSQXEVSA-N 0 3 298.381 3.594 10 0 CHAEHN FC1(F)CCC[C@@H](N[C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000330206456 228066102 /nfs/dbraw/zinc/06/61/02/228066102.db2.gz DGLLMAQNVMEVIW-CHWSQXEVSA-N 0 3 298.381 3.594 10 0 CHAEHN N[C@H](Cc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000037330659 260091718 /nfs/dbraw/zinc/09/17/18/260091718.db2.gz ADJYAFOWQIVAAH-CQSZACIVSA-N 0 3 299.761 3.633 10 0 CHAEHN COc1ccccc1C1CC(N[C@@H](C)c2nccs2)C1 ZINC000080265135 260178722 /nfs/dbraw/zinc/17/87/22/260178722.db2.gz FLTJVOAYZOCLAM-HIFPTAJRSA-N 0 3 288.416 3.749 10 0 CHAEHN CC[C@@H](NCc1cccn1CC)c1ccc(OC)cc1 ZINC000091024437 260265034 /nfs/dbraw/zinc/26/50/34/260265034.db2.gz HDRJSHFXJHEADG-QGZVFWFLSA-N 0 3 272.392 3.758 10 0 CHAEHN CC1(C)C[C@H](N[C@H]2CCCSC2)c2ccccc2O1 ZINC000132461173 260499441 /nfs/dbraw/zinc/49/94/41/260499441.db2.gz VZJQYBJIRYRYOL-JSGCOSHPSA-N 0 3 277.433 3.774 10 0 CHAEHN COc1ccc2c(c1)[C@H](N[C@H]1CCOc3ccccc31)CC2 ZINC000173230638 261158226 /nfs/dbraw/zinc/15/82/26/261158226.db2.gz SYYILZFQEVJQLO-MSOLQXFVSA-N 0 3 295.382 3.796 10 0 CHAEHN Cc1cnn([C@H]2CCCN([C@H](C)c3cccc(C)c3)C2)c1 ZINC000173699996 261169687 /nfs/dbraw/zinc/16/96/87/261169687.db2.gz WKNUENNRTCGBMB-AEFFLSMTSA-N 0 3 283.419 3.898 10 0 CHAEHN Cc1ccccc1CCCN1CCCC[C@H]1c1cn[nH]c1 ZINC000175972441 261257727 /nfs/dbraw/zinc/25/77/27/261257727.db2.gz ZXKAGPFLLPZURK-SFHVURJKSA-N 0 3 283.419 3.878 10 0 CHAEHN Cc1cccc(N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n1 ZINC000301978750 261345230 /nfs/dbraw/zinc/34/52/30/261345230.db2.gz ADOUFKHLZTVPAT-FUHWJXTLSA-N 0 3 295.430 3.855 10 0 CHAEHN C[C@@H](Cc1ccccc1F)N[C@H]1CCOc2ccccc21 ZINC000178468704 261394378 /nfs/dbraw/zinc/39/43/78/261394378.db2.gz XJAOZTDCRRIEOY-GUYCJALGSA-N 0 3 285.362 3.870 10 0 CHAEHN CN(C)C[C@@H](N[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000120438140 262195372 /nfs/dbraw/zinc/19/53/72/262195372.db2.gz OQQRPUXMKTXEFR-WOJBJXKFSA-N 0 3 294.442 3.957 10 0 CHAEHN Cc1cccc(CN[C@H](C)COCc2ccccc2)c1C ZINC000390567646 262219581 /nfs/dbraw/zinc/21/95/81/262219581.db2.gz QZZWHEXOTYGLLB-MRXNPFEDSA-N 0 3 283.415 3.998 10 0 CHAEHN CC(C)Oc1ccc(CN[C@H](C)[C@@H]2CCCO2)cc1Cl ZINC000188389965 262293434 /nfs/dbraw/zinc/29/34/34/262293434.db2.gz VLJBRBFRDCLLEE-DOMZBBRYSA-N 0 3 297.826 3.784 10 0 CHAEHN CC[C@@H](NCc1cn2cc(Cl)ccc2n1)C(C)C ZINC000096543859 265373226 /nfs/dbraw/zinc/37/32/26/265373226.db2.gz PYZGVDYVBYITMZ-CYBMUJFWSA-N 0 3 265.788 3.512 10 0 CHAEHN CCC[C@@H]1C[C@H]1N[C@@H](C)c1ccc(Br)cn1 ZINC000310041789 328067965 /nfs/dbraw/zinc/06/79/65/328067965.db2.gz YZHXUFSQWJPVCN-OPQQBVKSSA-N 0 3 283.213 3.683 10 0 CHAEHN C[C@@H](NCC1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1F ZINC000280898558 328236855 /nfs/dbraw/zinc/23/68/55/328236855.db2.gz BKTDAANJQZNRRT-IJLUTSLNSA-N 0 3 283.362 3.819 10 0 CHAEHN CCOc1ccccc1OCCN[C@H](C)c1ccc(C)o1 ZINC000088400060 327024957 /nfs/dbraw/zinc/02/49/57/327024957.db2.gz IEMUPALCWYSLLC-CQSZACIVSA-N 0 3 289.375 3.716 10 0 CHAEHN Cc1nccn1C[C@@H]1CCCN1Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000180127857 329211759 /nfs/dbraw/zinc/21/17/59/329211759.db2.gz ZEODJJMRZGKTFW-JLJPHGGASA-N 0 3 299.418 3.573 10 0 CHAEHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc(F)c1F ZINC000248735398 329898167 /nfs/dbraw/zinc/89/81/67/329898167.db2.gz PONYPPKCIKAPLE-GDJRKYJOSA-N 0 3 293.357 3.573 10 0 CHAEHN C[C@@H](NCc1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000087758693 330374281 /nfs/dbraw/zinc/37/42/81/330374281.db2.gz JVOUQBAWEWVCCO-NOZJJQNGSA-N 0 3 274.191 3.651 10 0 CHAEHN C[C@H](N[C@H]1CCO[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000119818581 330379044 /nfs/dbraw/zinc/37/90/44/330379044.db2.gz GEEUVDMCSVEJAH-RVBZMBCESA-N 0 3 274.191 3.821 10 0 CHAEHN CCN(Cc1nccn1C(C)C)[C@@H]1CCCC[C@@H]1C ZINC000120106433 330384608 /nfs/dbraw/zinc/38/46/08/330384608.db2.gz NUGBIHUOHLCFRK-LSDHHAIUSA-N 0 3 263.429 3.865 10 0 CHAEHN C[C@H](N[C@@H]1C[C@H]1C)c1ccccc1OC(F)(F)F ZINC000120425453 330388733 /nfs/dbraw/zinc/38/87/33/330388733.db2.gz WSPHHXMOHIQALM-WCABBAIRSA-N 0 3 259.271 3.644 10 0 CHAEHN Cc1nc2n(n1)CCC[C@@H]2N[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000090226488 330391633 /nfs/dbraw/zinc/39/16/33/330391633.db2.gz HJHMZLMFDKKHKM-KKUMJFAQSA-N 0 3 290.455 3.616 10 0 CHAEHN C[C@@H](CCCC(F)(F)F)N[C@H]1COc2ccccc21 ZINC000163432788 331039190 /nfs/dbraw/zinc/03/91/90/331039190.db2.gz RRIFAOOAGSTDSR-JQWIXIFHSA-N 0 3 273.298 3.831 10 0 CHAEHN Cc1ccccc1[C@H](NCC1(O)CCC1)c1ccccc1 ZINC000166051423 331306542 /nfs/dbraw/zinc/30/65/42/331306542.db2.gz PXIPESLWECVDLH-GOSISDBHSA-N 0 3 281.399 3.589 10 0 CHAEHN C[C@@H]1C[C@@H](CNCc2csc(C(C)(C)C)n2)C[C@H](C)O1 ZINC000466424908 331396485 /nfs/dbraw/zinc/39/64/85/331396485.db2.gz JWTXFLIRPCLCIF-CLLJXQQHSA-N 0 3 296.480 3.734 10 0 CHAEHN CC(C)CC[C@@H]1CCC[C@@H]1NCc1nnc(C(C)C)n1C ZINC000191878279 333226714 /nfs/dbraw/zinc/22/67/14/333226714.db2.gz BATVMKIJBNNTQH-GJZGRUSLSA-N 0 3 292.471 3.633 10 0 CHAEHN CNCc1cccc(NC(=O)c2ccc(Cl)c(C)c2)c1 ZINC000135218754 334119977 /nfs/dbraw/zinc/11/99/77/334119977.db2.gz GRZDPOCFHQEBPQ-UHFFFAOYSA-N 0 3 288.778 3.620 10 0 CHAEHN COc1ccc(Cl)cc1[C@H](C)N[C@@H]1CCCC[C@H]1CO ZINC000247926081 334291582 /nfs/dbraw/zinc/29/15/82/334291582.db2.gz BPOWKKFVWOMNPK-SLEUVZQESA-N 0 3 297.826 3.550 10 0 CHAEHN O[C@]12CCCC[C@H]1CN(CCc1ccccc1Cl)CC2 ZINC000247988787 334293057 /nfs/dbraw/zinc/29/30/57/334293057.db2.gz JCDZYEIRGURMOE-RDJZCZTQSA-N 0 3 293.838 3.510 10 0 CHAEHN Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@H]1CCCC[C@H]1O ZINC000249723301 334339356 /nfs/dbraw/zinc/33/93/56/334339356.db2.gz CURMCGKDLSSJOT-WCFLWFBJSA-N 0 3 296.480 3.703 10 0 CHAEHN COc1ccccc1[C@H](C)N[C@H]1C[C@H]1c1ccccc1 ZINC000251293115 334359557 /nfs/dbraw/zinc/35/95/57/334359557.db2.gz WMEQSYNCKCDHKB-JQFCIGGWSA-N 0 3 267.372 3.902 10 0 CHAEHN CC(C)(C)[C@H](O)CN[C@H]1CCCc2sc(Cl)cc21 ZINC000324548848 334888028 /nfs/dbraw/zinc/88/80/28/334888028.db2.gz UMBQYKUOLQOROP-CMPLNLGQSA-N 0 3 287.856 3.776 10 0 CHAEHN CCCN[C@H](CC)c1nnc(-c2cccc(Cl)c2)o1 ZINC000061513167 520069255 /nfs/dbraw/zinc/06/92/55/520069255.db2.gz YRVMJCURAPMDGU-GFCCVEGCSA-N 0 3 279.771 3.841 10 0 CHAEHN CCN[C@H](C)c1nc2cc(Cl)ccc2n1C(C)C ZINC000062366503 520182020 /nfs/dbraw/zinc/18/20/20/520182020.db2.gz JLGKHGIBXXLAQV-SNVBAGLBSA-N 0 3 265.788 3.941 10 0 CHAEHN CC[C@H](N)c1ccc(-c2cccc(COC)c2)s1 ZINC000049510979 522346829 /nfs/dbraw/zinc/34/68/29/522346829.db2.gz WSUXMXISVWMQMU-ZDUSSCGKSA-N 0 3 261.390 3.971 10 0 CHAEHN CCCN[C@@H](c1ccncc1)c1cc(F)ccc1C ZINC000055223221 520018367 /nfs/dbraw/zinc/01/83/67/520018367.db2.gz YYATVGNIZJFOMU-INIZCTEOSA-N 0 3 258.340 3.618 10 0 CHAEHN CCN[C@@H](C)c1ccc(-c2cc(F)ccc2F)o1 ZINC000052924453 520075227 /nfs/dbraw/zinc/07/52/27/520075227.db2.gz UCGDLOJCSQJXLB-VIFPVBQESA-N 0 3 251.276 3.895 10 0 CHAEHN CCCN[C@H](COCCC)c1ccc(F)cc1C ZINC000055227742 520082846 /nfs/dbraw/zinc/08/28/46/520082846.db2.gz NVPPWJRIXCAHFI-OAHLLOKOSA-N 0 3 253.361 3.601 10 0 CHAEHN CC1(C)CCc2ccccc2[C@@H]1NCc1ccncc1 ZINC000126157893 520414283 /nfs/dbraw/zinc/41/42/83/520414283.db2.gz ZXSVSIKFROYBKR-KRWDZBQOSA-N 0 3 266.388 3.885 10 0 CHAEHN CCCCN(c1nc2c(s1)[C@@H](N)CCC2)[C@@H](C)CC ZINC000054898804 520554225 /nfs/dbraw/zinc/55/42/25/520554225.db2.gz CJDZUDDWIXIFTI-RYUDHWBXSA-N 0 3 281.469 3.884 10 0 CHAEHN CCCCOCCOc1c(Cl)cc(Cl)cc1CN ZINC000049261586 520792027 /nfs/dbraw/zinc/79/20/27/520792027.db2.gz QNGOMNINZFDNCM-UHFFFAOYSA-N 0 3 292.206 3.648 10 0 CHAEHN CCC[C@H](C)COc1cc(F)ccc1[C@H](C)NC ZINC000062746277 521020400 /nfs/dbraw/zinc/02/04/00/521020400.db2.gz INJVIIIVVYJVBL-RYUDHWBXSA-N 0 3 253.361 3.921 10 0 CHAEHN CCC(CC)(c1ncc(CNC)s1)c1ccccc1 ZINC000062784007 521479860 /nfs/dbraw/zinc/47/98/60/521479860.db2.gz KDPNPKPMEBOHER-UHFFFAOYSA-N 0 3 274.433 3.969 10 0 CHAEHN CCOc1ccccc1[C@H](N)c1ccc(F)c(C)c1 ZINC000055240701 521588418 /nfs/dbraw/zinc/58/84/18/521588418.db2.gz KEBMGLSADZTSQC-MRXNPFEDSA-N 0 3 259.324 3.581 10 0 CHAEHN CNCc1sc(C23CC4CC(CC(C4)C2)C3)nc1C ZINC000055270769 522165466 /nfs/dbraw/zinc/16/54/66/522165466.db2.gz FETIYMIXYSKLKV-UHFFFAOYSA-N 0 3 276.449 3.639 10 0 CHAEHN CCc1nc([C@@](CC)(NCCOC)C(C)C)sc1C ZINC000053291552 522440843 /nfs/dbraw/zinc/44/08/43/522440843.db2.gz BDZCOOFDDRLVJV-HNNXBMFYSA-N 0 3 284.469 3.511 10 0 CHAEHN CN[C@H](C)c1cnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000055270679 522453285 /nfs/dbraw/zinc/45/32/85/522453285.db2.gz GYKREIUZYVZUCJ-GYPVXTSCSA-N 0 3 276.449 3.891 10 0 CHAEHN CN[C@H](c1ccc(F)c(F)c1)c1ccc(F)cc1C ZINC000055223385 522480629 /nfs/dbraw/zinc/48/06/29/522480629.db2.gz SJWLYHUUHUGXQG-OAHLLOKOSA-N 0 3 265.278 3.721 10 0 CHAEHN CN(Cc1cccc(F)c1)c1cc(Cl)ccc1CN ZINC000062786761 523314704 /nfs/dbraw/zinc/31/47/04/523314704.db2.gz VPPOOQXUNRHSQV-UHFFFAOYSA-N 0 3 278.758 3.574 10 0 CHAEHN CC[C@H](C(=O)c1ccccc1)N1CCC[C@H](C)[C@@H]1C ZINC000050565952 523817853 /nfs/dbraw/zinc/81/78/53/523817853.db2.gz BJLHAGOWIBCVDQ-OFQRWUPVSA-N 0 3 259.393 3.768 10 0 CHAEHN Cc1cccc(CN(C)c2ccc(Cl)cc2CN)c1 ZINC000052857003 524378117 /nfs/dbraw/zinc/37/81/17/524378117.db2.gz ZGDDISQXYRGOFY-UHFFFAOYSA-N 0 3 274.795 3.744 10 0 CHAEHN C[C@@H]1CN(Cc2cccc(Cl)c2)c2ccccc2CN1 ZINC000062673112 525002215 /nfs/dbraw/zinc/00/22/15/525002215.db2.gz ARSYXOWSBFMIDA-CYBMUJFWSA-N 0 3 286.806 3.838 10 0 CHAEHN Cc1cc(F)ccc1[C@@H](N)c1ccc(F)c(Cl)c1 ZINC000062792174 525005321 /nfs/dbraw/zinc/00/53/21/525005321.db2.gz XGQROPIGUHJLJG-AWEZNQCLSA-N 0 3 267.706 3.975 10 0 CHAEHN COc1ccc([C@@H](N)c2cc(C)sc2C)cc1F ZINC000061668838 525192585 /nfs/dbraw/zinc/19/25/85/525192585.db2.gz YNSXSVKSHIJVCN-CQSZACIVSA-N 0 3 265.353 3.561 10 0 CHAEHN C[C@@](N)(c1cccc(Cl)c1)c1cc(F)ccc1F ZINC000055242733 525751237 /nfs/dbraw/zinc/75/12/37/525751237.db2.gz IYZVNSOWVLSDMT-CQSZACIVSA-N 0 3 267.706 3.840 10 0 CHAEHN Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CNC2 ZINC000156638574 525776389 /nfs/dbraw/zinc/77/63/89/525776389.db2.gz TUUPGCDULKFOQS-UHFFFAOYSA-N 0 3 286.762 3.504 10 0 CHAEHN Cc1nc(-c2ccc(C)cc2F)sc1[C@H](C)N ZINC000051596204 526567800 /nfs/dbraw/zinc/56/78/00/526567800.db2.gz HQMDEDFLMOAMKB-QMMMGPOBSA-N 0 3 250.342 3.586 10 0 CHAEHN Clc1cc2nc([C@@H]3CCCN3)oc2c(Cl)c1 ZINC000062537937 526932594 /nfs/dbraw/zinc/93/25/94/526932594.db2.gz YAIIQMAPEOPCGF-QMMMGPOBSA-N 0 3 257.120 3.559 10 0 CHAEHN C[C@@H]1C[C@H](C)CN(Cc2cc(N)ccc2Br)C1 ZINC000128344850 570369250 /nfs/dbraw/zinc/36/92/50/570369250.db2.gz CXOCMRKYCQTQCR-PHIMTYICSA-N 0 3 297.240 3.509 10 0 CHAEHN C[C@@H](CC(=O)[C@@H]1[C@@H](C)C=CCC1(C)C)NCc1ccco1 ZINC000101648995 566925543 /nfs/dbraw/zinc/92/55/43/566925543.db2.gz HECRTIIJPYRXOR-ZQIUZPCESA-N 0 3 289.419 3.955 10 0 CHAEHN Brc1ccc([C@H]2NCCc3sccc32)cc1 ZINC000084704907 567032536 /nfs/dbraw/zinc/03/25/36/567032536.db2.gz QHMLCOYOOMFHHT-CYBMUJFWSA-N 0 3 294.217 3.746 10 0 CHAEHN CCOc1c(CNCCC(C)C)cc(Cl)cc1OC ZINC000013724519 567867411 /nfs/dbraw/zinc/86/74/11/567867411.db2.gz XQEHBSVUHZNXCW-UHFFFAOYSA-N 0 3 285.815 3.883 10 0 CHAEHN CCCCCNCc1nn(CCC)nc1-c1ccccc1 ZINC000057353311 567894865 /nfs/dbraw/zinc/89/48/65/567894865.db2.gz XAZVDWVBPRBDBO-UHFFFAOYSA-N 0 3 286.423 3.635 10 0 CHAEHN CCCn1cc(CNCc2cccnc2)c2ccccc21 ZINC000057353288 567894921 /nfs/dbraw/zinc/89/49/21/567894921.db2.gz VBONCWVOFFIDPE-UHFFFAOYSA-N 0 3 279.387 3.736 10 0 CHAEHN Brc1ccc(C23CCCN2CCC3)cc1 ZINC000258048566 567930949 /nfs/dbraw/zinc/93/09/49/567930949.db2.gz RDFBATZNOGTEHE-UHFFFAOYSA-N 0 3 266.182 3.534 10 0 CHAEHN Cc1ccccc1COc1ccccc1CNC1CC1 ZINC000032115709 567955909 /nfs/dbraw/zinc/95/59/09/567955909.db2.gz QHJOOGBKAGSMRD-UHFFFAOYSA-N 0 3 267.372 3.826 10 0 CHAEHN CN(Cc1c(N)cccc1Br)C1CCCCC1 ZINC000037401804 570248408 /nfs/dbraw/zinc/24/84/08/570248408.db2.gz DMIWCSFPZMTIHH-UHFFFAOYSA-N 0 3 297.240 3.796 10 0 CHAEHN CNCc1sc(-c2c(F)cccc2F)nc1C(C)C ZINC000082429848 178007481 /nfs/dbraw/zinc/00/74/81/178007481.db2.gz LFXZTAVFHMUMRF-UHFFFAOYSA-N 0 3 282.359 3.931 10 0 CHAEHN CNCc1sc(C2CCCCC2)nc1C1CC1 ZINC000082436436 178014218 /nfs/dbraw/zinc/01/42/18/178014218.db2.gz UDTZIPHZAAAQEV-UHFFFAOYSA-N 0 3 250.411 3.788 10 0 CHAEHN CC(C)NCc1sc([C@H]2CCCO2)nc1C(C)(C)C ZINC000082440112 178018686 /nfs/dbraw/zinc/01/86/86/178018686.db2.gz LFZMZIZJKKBYBS-LLVKDONJSA-N 0 3 282.453 3.790 10 0 CHAEHN CC(C)OC[C@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000309331311 260153843 /nfs/dbraw/zinc/15/38/43/260153843.db2.gz HXGBHGQYTBLJBN-VHSXEESVSA-N 0 3 261.818 3.866 10 0 CHAEHN CCC(CC)[C@H](C)Nc1cc2ccccc2c(=O)[nH]1 ZINC000104440865 186002758 /nfs/dbraw/zinc/00/27/58/186002758.db2.gz ZAAUIDZXHWNDPH-NSHDSACASA-N 0 3 258.365 3.765 10 0 CHAEHN CCc1cccc(CC)c1NC(=O)CNC1CCCCC1 ZINC000004996624 170052075 /nfs/dbraw/zinc/05/20/75/170052075.db2.gz XOCQDFXARQFEBY-UHFFFAOYSA-N 0 3 288.435 3.672 10 0 CHAEHN CC(C)CNCc1noc2c1CSc1ccccc1-2 ZINC000006724944 170232300 /nfs/dbraw/zinc/23/23/00/170232300.db2.gz ZIYZXYBGGHXGPR-UHFFFAOYSA-N 0 3 274.389 3.693 10 0 CHAEHN CCCCCCn1c2ccccc2nc1NCCN(C)C ZINC000006856498 170249749 /nfs/dbraw/zinc/24/97/49/170249749.db2.gz VKWZVSQPACVXQL-UHFFFAOYSA-N 0 3 288.439 3.590 10 0 CHAEHN CC[C@@H](N[C@@H](C)c1ccncc1)c1ccc(O)cc1 ZINC000020121313 171000378 /nfs/dbraw/zinc/00/03/78/171000378.db2.gz WHSJXTWNSOHFJP-BLLLJJGKSA-N 0 3 256.349 3.589 10 0 CHAEHN C[C@@H](NCc1cccc(O)c1)c1ccc(Cl)cc1 ZINC000020122003 171002109 /nfs/dbraw/zinc/00/21/09/171002109.db2.gz PWNRAPYFRGSLHG-LLVKDONJSA-N 0 3 261.752 3.896 10 0 CHAEHN Cc1ccc([C@H](C)N[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000020129317 171016862 /nfs/dbraw/zinc/01/68/62/171016862.db2.gz ZMXCYJBMIORERI-LPHOPBHVSA-N 0 3 282.431 3.949 10 0 CHAEHN COc1cc([C@@H](C)N[C@H](C)c2cccs2)ccc1O ZINC000020148404 171035815 /nfs/dbraw/zinc/03/58/15/171035815.db2.gz NFHNDZLHZPBHDM-GHMZBOCLSA-N 0 3 277.389 3.874 10 0 CHAEHN CC[C@@H]1CCCCN1Cc1ccc(Cl)c(N)c1 ZINC000020192456 171058035 /nfs/dbraw/zinc/05/80/35/171058035.db2.gz WEDTZRNDARMQHZ-GFCCVEGCSA-N 0 3 252.789 3.687 10 0 CHAEHN C=COCCCNC1c2ccccc2-c2ccccc21 ZINC000020197209 171061084 /nfs/dbraw/zinc/06/10/84/171061084.db2.gz KUNSHUINVUXOMY-UHFFFAOYSA-N 0 3 265.356 3.896 10 0 CHAEHN C[C@@H](N[C@@H](C)c1ccccc1Br)[C@@H]1CCCO1 ZINC000020206719 171071398 /nfs/dbraw/zinc/07/13/98/171071398.db2.gz OOPBOOGRNSHMKO-WDMOLILDSA-N 0 3 298.224 3.667 10 0 CHAEHN CN(Cc1ccccc1F)[C@@H](CN)c1cccc(Cl)c1 ZINC000020225954 171089486 /nfs/dbraw/zinc/08/94/86/171089486.db2.gz BOSLTBSYQNDSRU-INIZCTEOSA-N 0 3 292.785 3.611 10 0 CHAEHN CCc1ccc([C@H](CN)N(C)Cc2ccc(F)cc2)cc1 ZINC000020225709 171089635 /nfs/dbraw/zinc/08/96/35/171089635.db2.gz UMZFQDFWRYTIJB-SFHVURJKSA-N 0 3 286.394 3.520 10 0 CHAEHN CC[C@@H]([C@H](N)c1ccccc1)n1ccnc1C(C)C ZINC000020261740 171119351 /nfs/dbraw/zinc/11/93/51/171119351.db2.gz RQVDLAMZPFDPNM-LSDHHAIUSA-N 0 3 257.381 3.658 10 0 CHAEHN N[C@@H](Cc1nc2ccccc2o1)c1ccccc1Cl ZINC000020427711 171193498 /nfs/dbraw/zinc/19/34/98/171193498.db2.gz IZJZCJSOMANYKT-LBPRGKRZSA-N 0 3 272.735 3.724 10 0 CHAEHN NCc1ccccc1Oc1ccc(F)cc1Br ZINC000020470171 171211770 /nfs/dbraw/zinc/21/17/70/171211770.db2.gz PASREANDJNHQOZ-UHFFFAOYSA-N 0 3 296.139 3.839 10 0 CHAEHN CC(C)(C)OC[C@H](N)c1ccccc1C(F)(F)F ZINC000020510738 171230306 /nfs/dbraw/zinc/23/03/06/171230306.db2.gz LSYYERIKCIXLRA-NSHDSACASA-N 0 3 261.287 3.520 10 0 CHAEHN CC(C)c1ccc([C@@H](N)COc2ccccc2)cc1 ZINC000020552868 171248209 /nfs/dbraw/zinc/24/82/09/171248209.db2.gz VOPZJOGZGTUUDZ-KRWDZBQOSA-N 0 3 255.361 3.889 10 0 CHAEHN N[C@@H]1c2ccccc2C[C@@H]1Oc1ccccc1C(F)(F)F ZINC000020563854 171252953 /nfs/dbraw/zinc/25/29/53/171252953.db2.gz HAGRLYNELFYYBN-LSDHHAIUSA-N 0 3 293.288 3.709 10 0 CHAEHN CCOc1ccccc1[C@H](N)c1ccc(C)c(C)c1 ZINC000020587303 171259304 /nfs/dbraw/zinc/25/93/04/171259304.db2.gz JLHBGHKVXSRCOQ-QGZVFWFLSA-N 0 3 255.361 3.750 10 0 CHAEHN Fc1ccccc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000020595879 171264693 /nfs/dbraw/zinc/26/46/93/171264693.db2.gz OOBZMOWFOHYWBT-OAHLLOKOSA-N 0 3 270.351 3.512 10 0 CHAEHN CCOc1ccccc1[C@H](N)CN(CC)c1ccccc1 ZINC000021052342 171295258 /nfs/dbraw/zinc/29/52/58/171295258.db2.gz BDMJIGGTWBDCPK-QGZVFWFLSA-N 0 3 284.403 3.612 10 0 CHAEHN COc1ccc(C)cc1[C@@H](N)COc1cc(C)cc(C)c1 ZINC000021518680 171314837 /nfs/dbraw/zinc/31/48/37/171314837.db2.gz XWRNXISVTNBDAL-KRWDZBQOSA-N 0 3 285.387 3.699 10 0 CHAEHN CC(C)c1ccc(O[C@H]2Cc3ccccc3[C@@H]2N)cc1 ZINC000021792064 171324156 /nfs/dbraw/zinc/32/41/56/171324156.db2.gz FIUDKLHLSBFSBL-ROUUACIJSA-N 0 3 267.372 3.814 10 0 CHAEHN Cc1ccc([C@@H](N)COc2ccccc2C)cc1C ZINC000022148747 171357632 /nfs/dbraw/zinc/35/76/32/171357632.db2.gz YKVYDLLXEWMHGR-INIZCTEOSA-N 0 3 255.361 3.691 10 0 CHAEHN CN[C@H](C)c1cc(F)ccc1N(C)c1ccccc1 ZINC000034837709 171882733 /nfs/dbraw/zinc/88/27/33/171882733.db2.gz ANTYFDNMDSDUNK-GFCCVEGCSA-N 0 3 258.340 3.874 10 0 CHAEHN COc1cccc(CNC(C)C)c1OCCC(C)C ZINC000035413784 172186377 /nfs/dbraw/zinc/18/63/77/172186377.db2.gz NERHZWYTULJUOB-UHFFFAOYSA-N 0 3 265.397 3.618 10 0 CHAEHN CCCCCOc1c(CNC(C)C)cccc1OC ZINC000035413780 172186861 /nfs/dbraw/zinc/18/68/61/172186861.db2.gz FTVSMPKQSNPTQN-UHFFFAOYSA-N 0 3 265.397 3.762 10 0 CHAEHN COc1ccc([C@H](N)c2ccccc2Cl)cc1F ZINC000035424343 172192735 /nfs/dbraw/zinc/19/27/35/172192735.db2.gz SRCHWBZCXXETSX-AWEZNQCLSA-N 0 3 265.715 3.536 10 0 CHAEHN CCOc1ccc([C@H](NC)c2ccc(C)s2)cc1 ZINC000035459382 172208195 /nfs/dbraw/zinc/20/81/95/172208195.db2.gz LJCOTLVSGWZCRS-HNNXBMFYSA-N 0 3 261.390 3.764 10 0 CHAEHN CN[C@H](c1ccoc1C)c1ccc(Br)cc1 ZINC000035462371 172210862 /nfs/dbraw/zinc/21/08/62/172210862.db2.gz ROTRYDOEJTYAOK-ZDUSSCGKSA-N 0 3 280.165 3.659 10 0 CHAEHN CN[C@H](c1ccc(F)cc1)c1ccc(OC)c(Cl)c1 ZINC000035462156 172211064 /nfs/dbraw/zinc/21/10/64/172211064.db2.gz VZBHCUUSBPZHLN-OAHLLOKOSA-N 0 3 279.742 3.797 10 0 CHAEHN CN[C@@H](c1ccc(F)cc1)c1cccc(Br)c1 ZINC000035463671 172211588 /nfs/dbraw/zinc/21/15/88/172211588.db2.gz IOSSSIVLVAXHSU-AWEZNQCLSA-N 0 3 294.167 3.897 10 0 CHAEHN CN[C@@H](c1ccccc1)c1cc(Cl)ccc1OC ZINC000035465109 172212238 /nfs/dbraw/zinc/21/22/38/172212238.db2.gz FJHLVUWGQVJNNU-HNNXBMFYSA-N 0 3 261.752 3.657 10 0 CHAEHN CCOc1ccc([C@H](NC)c2cc(C)oc2C)cc1 ZINC000035466384 172213433 /nfs/dbraw/zinc/21/34/33/172213433.db2.gz CXCUDHVXSZWNBL-INIZCTEOSA-N 0 3 259.349 3.604 10 0 CHAEHN CN[C@H](c1cc2c(s1)CCC2)c1ccc(C)cc1 ZINC000035466039 172214083 /nfs/dbraw/zinc/21/40/83/172214083.db2.gz ZDMVTRKSRFVPEH-INIZCTEOSA-N 0 3 257.402 3.854 10 0 CHAEHN CN[C@@H](c1cc(F)cc(F)c1)c1cc(C)ccc1C ZINC000035489785 172224980 /nfs/dbraw/zinc/22/49/80/172224980.db2.gz RZPPFPIPRQBMAU-INIZCTEOSA-N 0 3 261.315 3.890 10 0 CHAEHN CN[C@H](c1cccc(Cl)c1)c1ccc(F)c(F)c1 ZINC000035494702 172228063 /nfs/dbraw/zinc/22/80/63/172228063.db2.gz ICIOIIFNLFLSIC-CQSZACIVSA-N 0 3 267.706 3.927 10 0 CHAEHN CC[C@H](C)[C@H](NC)c1cc2c(cc1Cl)OCCCO2 ZINC000035501151 172234971 /nfs/dbraw/zinc/23/49/71/172234971.db2.gz AWHULWFWNZJNGX-BONVTDFDSA-N 0 3 283.799 3.808 10 0 CHAEHN CN[C@H](c1cccc(C)c1)c1ccc(OC)c(C)c1 ZINC000035506531 172239273 /nfs/dbraw/zinc/23/92/73/172239273.db2.gz AGDITZJSPXPVTQ-QGZVFWFLSA-N 0 3 255.361 3.621 10 0 CHAEHN CCC(CC)[C@@H](NC)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507403 172240107 /nfs/dbraw/zinc/24/01/07/172240107.db2.gz NKHZZQGCSKSBSB-OAHLLOKOSA-N 0 3 280.799 3.531 10 0 CHAEHN CCN[C@@H](CC(F)(F)F)c1cc(C)sc1C ZINC000035552665 172259925 /nfs/dbraw/zinc/25/99/25/172259925.db2.gz BRDGHXAKNHEHNM-JTQLQIEISA-N 0 3 251.317 3.968 10 0 CHAEHN CCN[C@@H](C)c1cc(OCC)c(OCC)cc1Cl ZINC000035557248 172262698 /nfs/dbraw/zinc/26/26/98/172262698.db2.gz XQLOWJDOQDSRPO-JTQLQIEISA-N 0 3 271.788 3.808 10 0 CHAEHN CCCN[C@@H](c1ccsc1)c1ccc(OC)cc1 ZINC000035576234 172272587 /nfs/dbraw/zinc/27/25/87/172272587.db2.gz KYHLFOJSGFWZAF-OAHLLOKOSA-N 0 3 261.390 3.846 10 0 CHAEHN CCCN[C@@H](c1ccsc1)c1ccc2c(c1)CCO2 ZINC000035579062 172275258 /nfs/dbraw/zinc/27/52/58/172275258.db2.gz LLKIPIZABPHRJX-MRXNPFEDSA-N 0 3 273.401 3.772 10 0 CHAEHN CCCN[C@H](C)c1cc2c(cc1Cl)OCCCO2 ZINC000035584664 172284148 /nfs/dbraw/zinc/28/41/48/172284148.db2.gz KIVCWFNTAVTBKH-SNVBAGLBSA-N 0 3 269.772 3.562 10 0 CHAEHN CCCN[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000035652947 172329398 /nfs/dbraw/zinc/32/93/98/172329398.db2.gz MJMGHTSNPRLOGQ-JTQLQIEISA-N 0 3 260.164 3.817 10 0 CHAEHN CCN[C@@H]1CCCOc2c(Cl)cc(Cl)cc21 ZINC000035654177 172330819 /nfs/dbraw/zinc/33/08/19/172330819.db2.gz YEKMTTLMDMKTRT-LLVKDONJSA-N 0 3 260.164 3.817 10 0 CHAEHN CN(Cc1ccsc1)[C@H](CN)c1cccc(Cl)c1 ZINC000035718884 172373122 /nfs/dbraw/zinc/37/31/22/172373122.db2.gz NBZHUMUTDZNXCM-CQSZACIVSA-N 0 3 280.824 3.533 10 0 CHAEHN CN(Cc1ccsc1)[C@H](CN)c1ccccc1Cl ZINC000035719131 172373184 /nfs/dbraw/zinc/37/31/84/172373184.db2.gz IMVBRLPLJXSGDR-CQSZACIVSA-N 0 3 280.824 3.533 10 0 CHAEHN Cc1cc(Oc2ccc(CN)cn2)cc(C)c1Cl ZINC000035719870 172374184 /nfs/dbraw/zinc/37/41/84/172374184.db2.gz QPJWOATWUKXSON-UHFFFAOYSA-N 0 3 262.740 3.603 10 0 CHAEHN CCCCCCN[C@@H]1CCOc2ccc(OC)cc21 ZINC000037232636 173051177 /nfs/dbraw/zinc/05/11/77/173051177.db2.gz YTPIHCJNQAIHPC-OAHLLOKOSA-N 0 3 263.381 3.689 10 0 CHAEHN CNCc1cc(F)ccc1Oc1ccc(C)cc1C ZINC000037237520 173055223 /nfs/dbraw/zinc/05/52/23/173055223.db2.gz RRUNLBLMJQUQTO-UHFFFAOYSA-N 0 3 259.324 3.954 10 0 CHAEHN CCC[C@H](N)c1nc2cc(Cl)ccc2n1CC ZINC000037440395 173210109 /nfs/dbraw/zinc/21/01/09/173210109.db2.gz FNKAZCCGSRGSMI-JTQLQIEISA-N 0 3 251.761 3.510 10 0 CHAEHN CCCC[C@@H](N)c1nc2cc(Br)ccc2n1C ZINC000037441304 173211178 /nfs/dbraw/zinc/21/11/78/173211178.db2.gz TVKCQKVNIDPRJE-SNVBAGLBSA-N 0 3 296.212 3.526 10 0 CHAEHN CCN[C@H](c1cccc(F)c1)c1ccccc1OC ZINC000037533013 173253939 /nfs/dbraw/zinc/25/39/39/173253939.db2.gz JQHVZFCWGYSAHU-MRXNPFEDSA-N 0 3 259.324 3.533 10 0 CHAEHN CCCN[C@@H](Cc1ccccc1F)c1ccccn1 ZINC000037534545 173254425 /nfs/dbraw/zinc/25/44/25/173254425.db2.gz LLXBYHHNSOUJLV-INIZCTEOSA-N 0 3 258.340 3.504 10 0 CHAEHN C[C@H](c1ccc(F)cc1)N1CCc2c(N)cccc2C1 ZINC000038032483 174028168 /nfs/dbraw/zinc/02/81/68/174028168.db2.gz HYLAPAOSPCMHPP-GFCCVEGCSA-N 0 3 270.351 3.527 10 0 CHAEHN C[C@@H](c1cccc(F)c1)N1CCc2c(N)cccc2C1 ZINC000038032534 174028932 /nfs/dbraw/zinc/02/89/32/174028932.db2.gz MJSXVWLLUXMCJG-LBPRGKRZSA-N 0 3 270.351 3.527 10 0 CHAEHN CCCOc1cccc(CNc2cnccc2N(C)C)c1 ZINC000038038297 174038400 /nfs/dbraw/zinc/03/84/00/174038400.db2.gz UYVRKWKDJNVSDY-UHFFFAOYSA-N 0 3 285.391 3.549 10 0 CHAEHN CCN[C@H](CC(F)(F)F)c1ccc2c(c1)CCCO2 ZINC000038058115 174068728 /nfs/dbraw/zinc/06/87/28/174068728.db2.gz VCRUQZPZHIGBPI-GFCCVEGCSA-N 0 3 273.298 3.615 10 0 CHAEHN FC(F)(F)c1cccc(NCCN2CCCCC2)c1 ZINC000041406387 174547373 /nfs/dbraw/zinc/54/73/73/174547373.db2.gz OMNSRIXHJSNZNL-UHFFFAOYSA-N 0 3 272.314 3.603 10 0 CHAEHN CC[C@@H](C)Oc1ccc2c(c1)OC(C)(C)C[C@@H]2NC ZINC000043460238 175051118 /nfs/dbraw/zinc/05/11/18/175051118.db2.gz GBNYNMCNORNGSX-RISCZKNCSA-N 0 3 263.381 3.686 10 0 CHAEHN COc1cc2c(cc1Cl)CCN[C@H]2c1ccccc1 ZINC000045287090 175353981 /nfs/dbraw/zinc/35/39/81/175353981.db2.gz SHKRYSPHCKMQQR-INIZCTEOSA-N 0 3 273.763 3.584 10 0 CHAEHN Clc1ccccc1CNCCc1nc2ccccc2[nH]1 ZINC000057353438 175594567 /nfs/dbraw/zinc/59/45/67/175594567.db2.gz BCXQNBBUJUFWAE-UHFFFAOYSA-N 0 3 285.778 3.549 10 0 CHAEHN C[C@H](N)c1csc(-c2cccc(Br)c2)n1 ZINC000070840226 176008308 /nfs/dbraw/zinc/00/83/08/176008308.db2.gz GKSVCITVIVCOIQ-ZETCQYMHSA-N 0 3 283.194 3.592 10 0 CHAEHN c1ccc(-c2ccc([C@@H]3CSCCN3)cc2)cc1 ZINC000071203261 176078603 /nfs/dbraw/zinc/07/86/03/176078603.db2.gz ORIPEASRUZNUSE-INIZCTEOSA-N 0 3 255.386 3.731 10 0 CHAEHN CCN[C@@H](CC)C(=O)c1cc(C(C)(C)C)ccc1C ZINC000071587968 176215603 /nfs/dbraw/zinc/21/56/03/176215603.db2.gz IXZWJRMYIXJSAL-HNNXBMFYSA-N 0 3 261.409 3.863 10 0 CHAEHN COc1ccc2c(c1)C(C)(C)CN[C@H]2c1ccc(F)cc1 ZINC000071642245 176239158 /nfs/dbraw/zinc/23/91/58/176239158.db2.gz YVPHGVTWFKBXOQ-KRWDZBQOSA-N 0 3 285.362 3.805 10 0 CHAEHN CCCOc1cccc(-c2nc([C@@H](C)N)cs2)c1 ZINC000076784692 177092405 /nfs/dbraw/zinc/09/24/05/177092405.db2.gz XCIAQEBELXKFFU-SNVBAGLBSA-N 0 3 262.378 3.619 10 0 CHAEHN CCN1CCC[C@@H](N[C@@H](C)c2cc3ccccc3o2)C1 ZINC000040502404 260285351 /nfs/dbraw/zinc/28/53/51/260285351.db2.gz JKTBDGYELGTBEZ-DZGCQCFKSA-N 0 3 272.392 3.568 10 0 CHAEHN CCCCN(CCCC)C(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000130125175 260394320 /nfs/dbraw/zinc/39/43/20/260394320.db2.gz CJUXXFGANMMKGK-NVXWUHKLSA-N 0 3 290.451 3.751 10 0 CHAEHN c1coc([C@H](NCCc2ccncc2)c2ccccc2)c1 ZINC000052684675 261114942 /nfs/dbraw/zinc/11/49/42/261114942.db2.gz LCJWANZZHPXMQH-GOSISDBHSA-N 0 3 278.355 3.596 10 0 CHAEHN Cc1cnn([C@@H]2CCCN(Cc3cc(C)ccc3C)C2)c1 ZINC000106225154 261323402 /nfs/dbraw/zinc/32/34/02/261323402.db2.gz IZUIRIOADIQMTM-GOSISDBHSA-N 0 3 283.419 3.645 10 0 CHAEHN C[C@@H](N[C@@H](C)COCc1ccccc1)c1ccco1 ZINC000178065303 261375815 /nfs/dbraw/zinc/37/58/15/261375815.db2.gz WJOQXYVXNGWUIR-UONOGXRCSA-N 0 3 259.349 3.536 10 0 CHAEHN C[C@H](Cc1ccccc1F)N[C@H]1CCOc2ccccc21 ZINC000178468713 261394144 /nfs/dbraw/zinc/39/41/44/261394144.db2.gz XJAOZTDCRRIEOY-DYVFJYSZSA-N 0 3 285.362 3.870 10 0 CHAEHN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccccn1)[C@H](C)C2 ZINC000180227485 261848347 /nfs/dbraw/zinc/84/83/47/261848347.db2.gz USDZLMRQSONSDQ-QWQRMKEZSA-N 0 3 266.388 3.974 10 0 CHAEHN Clc1cccc(CN2CCCC23CCCC3)n1 ZINC000310462016 262159431 /nfs/dbraw/zinc/15/94/31/262159431.db2.gz YDAIDCIHHJLNCE-UHFFFAOYSA-N 0 3 250.773 3.644 10 0 CHAEHN Cc1cc(CN[C@@H](C)COCc2ccccc2)cs1 ZINC000390577381 262221339 /nfs/dbraw/zinc/22/13/39/262221339.db2.gz XHRFJFYDKHIIOB-ZDUSSCGKSA-N 0 3 275.417 3.751 10 0 CHAEHN Cc1ccc(CN[C@@H](C)COCc2ccccc2)cc1C ZINC000390575131 262221827 /nfs/dbraw/zinc/22/18/27/262221827.db2.gz VVVALTXZPBRZHS-KRWDZBQOSA-N 0 3 283.415 3.998 10 0 CHAEHN C[C@@H](COCc1ccccc1)N[C@@H](C)c1ccccc1 ZINC000390576119 262221977 /nfs/dbraw/zinc/22/19/77/262221977.db2.gz FQOZRVCAMQTQIH-HOTGVXAUSA-N 0 3 269.388 3.943 10 0 CHAEHN Cc1ccc(CN[C@H](C)COCc2ccccc2)c(C)c1 ZINC000390603873 262226210 /nfs/dbraw/zinc/22/62/10/262226210.db2.gz ZPYYPBRDCJMRCH-QGZVFWFLSA-N 0 3 283.415 3.998 10 0 CHAEHN Cc1ccc([C@@H](C)NCc2ccncc2C)c(C)c1 ZINC000228660807 267250882 /nfs/dbraw/zinc/25/08/82/267250882.db2.gz TUKJKJCZCBPHEK-OAHLLOKOSA-N 0 3 254.377 3.858 10 0 CHAEHN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1ccc(Br)cn1 ZINC000310041787 328068008 /nfs/dbraw/zinc/06/80/08/328068008.db2.gz YZHXUFSQWJPVCN-CWSCBRNRSA-N 0 3 283.213 3.683 10 0 CHAEHN C[C@@H]1OCC[C@@H]1N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000090461214 327179020 /nfs/dbraw/zinc/17/90/20/327179020.db2.gz NJTALXFBQYVNEN-CWRNSKLLSA-N 0 3 287.403 3.590 10 0 CHAEHN Cc1nc(CN[C@H]2CCCC[C@H]2C(C)(C)C)oc1C ZINC000104074419 328775856 /nfs/dbraw/zinc/77/58/56/328775856.db2.gz HHHOLINBWIRFKN-KGLIPLIRSA-N 0 3 264.413 3.986 10 0 CHAEHN CCc1ccc(CN2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000172247957 329084130 /nfs/dbraw/zinc/08/41/30/329084130.db2.gz ANHSXURMPXJXNV-GOSISDBHSA-N 0 3 297.446 3.936 10 0 CHAEHN CCOC[C@H](C)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000178727762 329200331 /nfs/dbraw/zinc/20/03/31/329200331.db2.gz OUFYWGODUSTBNQ-HOCLYGCPSA-N 0 3 289.419 3.838 10 0 CHAEHN COCc1cccc(CN2CCC[C@H]2c2ccco2)c1 ZINC000179219383 329206343 /nfs/dbraw/zinc/20/63/43/329206343.db2.gz DJOREAQRQQKVAX-INIZCTEOSA-N 0 3 271.360 3.763 10 0 CHAEHN C[C@@H](NCc1ccc(Oc2ccccc2)o1)[C@H]1CCCO1 ZINC000180791887 329223206 /nfs/dbraw/zinc/22/32/06/329223206.db2.gz PBDBXPVVIIEXJP-CZUORRHYSA-N 0 3 287.359 3.729 10 0 CHAEHN ClC(Cl)(Cl)CCN1CCC2(CCC2)C1 ZINC000184615618 329261303 /nfs/dbraw/zinc/26/13/03/329261303.db2.gz VPILEMXZVQLABQ-UHFFFAOYSA-N 0 3 256.604 3.623 10 0 CHAEHN Cc1ccc2nccc(N3CCC[C@@H]3c3cnn(C)c3)c2c1 ZINC000185630064 329328104 /nfs/dbraw/zinc/32/81/04/329328104.db2.gz KNVRRROGKCTZBM-QGZVFWFLSA-N 0 3 292.386 3.618 10 0 CHAEHN Cc1nc(C(C)C)sc1[C@H](C)N[C@@H](C)[C@H]1CCCO1 ZINC000247177414 329877078 /nfs/dbraw/zinc/87/70/78/329877078.db2.gz UZVYSSXNBMQETB-GMXVVIOVSA-N 0 3 282.453 3.793 10 0 CHAEHN CCN1CCC[C@@H](N[C@H](C)c2sc(C(C)C)nc2C)C1 ZINC000247225516 329877610 /nfs/dbraw/zinc/87/76/10/329877610.db2.gz YAJGUPLJKGGFJJ-TZMCWYRMSA-N 0 3 295.496 3.710 10 0 CHAEHN C[C@H](N[C@@H]1CCCC[C@@H]1CO)c1ccc(F)cc1Cl ZINC000153745169 330648056 /nfs/dbraw/zinc/64/80/56/330648056.db2.gz YUFQFLAVTLJQEX-FIXISWKDSA-N 0 3 285.790 3.681 10 0 CHAEHN C[C@H]1CC(CNCc2csc(C(C)(C)C)n2)C[C@H](C)O1 ZINC000466424909 331396532 /nfs/dbraw/zinc/39/65/32/331396532.db2.gz JWTXFLIRPCLCIF-RYUDHWBXSA-N 0 3 296.480 3.734 10 0 CHAEHN CC(C)N(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc2ccccc2c1 ZINC000177410946 333058574 /nfs/dbraw/zinc/05/85/74/333058574.db2.gz CVHANIFLYUFCIZ-LSDHHAIUSA-N 0 3 298.430 3.746 10 0 CHAEHN Cc1ccc([C@@H](C)NCCn2cc(Cl)cn2)cc1C ZINC000312025496 333075870 /nfs/dbraw/zinc/07/58/70/333075870.db2.gz WDTWWNPOECBPJS-CYBMUJFWSA-N 0 3 277.799 3.504 10 0 CHAEHN CCOC1CC(N[C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000224377786 333220052 /nfs/dbraw/zinc/22/00/52/333220052.db2.gz GMNWCFVTVBCFNK-OIKLOGQESA-N 0 3 271.763 3.697 10 0 CHAEHN Cc1csc([C@H]2CCCN(Cc3ccccc3F)C2)n1 ZINC000195337228 333250635 /nfs/dbraw/zinc/25/06/35/333250635.db2.gz IBGBFSJFEKTLAE-AWEZNQCLSA-N 0 3 290.407 3.970 10 0 CHAEHN Cc1nocc1CN[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000339175866 335142112 /nfs/dbraw/zinc/14/21/12/335142112.db2.gz ISAXBBPSQDODAI-JISDDCRVSA-N 0 3 274.408 3.678 10 0 CHAEHN CCOC1CC(N[C@H](C)c2ccccc2Br)C1 ZINC000124761316 333561487 /nfs/dbraw/zinc/56/14/87/333561487.db2.gz AMFOZGNEKSJWOS-VOMCLLRMSA-N 0 3 298.224 3.667 10 0 CHAEHN CC(C)c1ccc([C@@H](C)NC(=O)[C@@]2(C)CCCCN2)cc1 ZINC000136141711 334148069 /nfs/dbraw/zinc/14/80/69/334148069.db2.gz CBSLYEHTGGNMHY-RDTXWAMCSA-N 0 3 288.435 3.519 10 0 CHAEHN CC(C)(C)CCN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246756720 334269007 /nfs/dbraw/zinc/26/90/07/334269007.db2.gz QMSURONWMOBLBN-WFASDCNBSA-N 0 3 283.362 3.509 10 0 CHAEHN C[C@H](NC[C@H]1CCCC[C@H]1O)c1csc(Cl)c1 ZINC000248675994 334312747 /nfs/dbraw/zinc/31/27/47/334312747.db2.gz AEQKWHOMPDWBJJ-HOSYDEDBSA-N 0 3 273.829 3.603 10 0 CHAEHN Cc1ccc([C@H]2CCCCN2CCO[C@H]2CCCCO2)o1 ZINC000248857464 334319808 /nfs/dbraw/zinc/31/98/08/334319808.db2.gz ZIMAKUVHXBZTGY-WBVHZDCISA-N 0 3 293.407 3.658 10 0 CHAEHN CCn1nc(C)c([C@H](C)N[C@@H]2C[C@H]2CC(C)C)c1C ZINC000385789487 336156975 /nfs/dbraw/zinc/15/69/75/336156975.db2.gz DRRCVUSZLOLZNL-NILFDRSVSA-N 0 3 263.429 3.605 10 0 CHAEHN CCn1nc(C)c([C@@H](C)N[C@H]2CC23CCCC3)c1C ZINC000387162306 336186737 /nfs/dbraw/zinc/18/67/37/336186737.db2.gz RIVAYRZPHKIBOE-RISCZKNCSA-N 0 3 261.413 3.503 10 0 CHAEHN CC(C)C[C@@H](C)OCc1ccoc1CNC(C)C ZINC000052603390 519774120 /nfs/dbraw/zinc/77/41/20/519774120.db2.gz OHDYGMALOAOMIB-CYBMUJFWSA-N 0 3 253.386 3.729 10 0 CHAEHN CC(C)[C@H](CN(C)C)NCc1ccc(Cl)cc1Cl ZINC000049195326 519814568 /nfs/dbraw/zinc/81/45/68/519814568.db2.gz WDYDDGFVSJOEBQ-AWEZNQCLSA-N 0 3 289.250 3.669 10 0 CHAEHN CC(C)c1ccccc1NC1CCN(C2CC2)CC1 ZINC000297663640 519846542 /nfs/dbraw/zinc/84/65/42/519846542.db2.gz JPAQWYSMXZWHQM-UHFFFAOYSA-N 0 3 258.409 3.849 10 0 CHAEHN CCCCCN(c1ncc([C@H](C)N)s1)C(C)C ZINC000054897775 520178565 /nfs/dbraw/zinc/17/85/65/520178565.db2.gz NMECZMNFFUTJAX-NSHDSACASA-N 0 3 255.431 3.568 10 0 CHAEHN CC1(C)CCN(Cc2cc(N)ccc2Cl)CC1 ZINC000061818224 520380013 /nfs/dbraw/zinc/38/00/13/520380013.db2.gz TUPBDDVSXUXOBY-UHFFFAOYSA-N 0 3 252.789 3.544 10 0 CHAEHN CCC(CC)(c1ccccc1)[C@@H](N)c1cccnc1 ZINC000062783850 521479998 /nfs/dbraw/zinc/47/99/98/521479998.db2.gz YNLHQQFRZFGZML-INIZCTEOSA-N 0 3 254.377 3.839 10 0 CHAEHN CNCc1ccc(COc2cc(C)c(Cl)c(C)c2)o1 ZINC000052700019 522118139 /nfs/dbraw/zinc/11/81/39/522118139.db2.gz RSEQHNUVVZYIRN-UHFFFAOYSA-N 0 3 279.767 3.848 10 0 CHAEHN CNCc1sc(N(C)CCC(C)C)nc1C(C)(C)C ZINC000055002008 522168070 /nfs/dbraw/zinc/16/80/70/522168070.db2.gz XFOAMEJVWNEYON-UHFFFAOYSA-N 0 3 283.485 3.642 10 0 CHAEHN CN[C@@H](Cc1c(F)cccc1Cl)CC(F)(F)F ZINC000049347387 522360859 /nfs/dbraw/zinc/36/08/59/522360859.db2.gz HPTHNPPQPDJODU-ZETCQYMHSA-N 0 3 269.669 3.562 10 0 CHAEHN CN[C@@H](Cc1ccccn1)c1cc(Cl)ccc1Cl ZINC000055223846 522363126 /nfs/dbraw/zinc/36/31/26/522363126.db2.gz ZOGQAONSSURZDM-AWEZNQCLSA-N 0 3 281.186 3.892 10 0 CHAEHN CN[C@H](C)c1cnc(N2CCC[C@@H]2C2CCCC2)s1 ZINC000054907457 522453378 /nfs/dbraw/zinc/45/33/78/522453378.db2.gz UXWAJDNCOAOQRW-DGCLKSJQSA-N 0 3 279.453 3.583 10 0 CHAEHN CNc1c2c(F)cc(F)cc2nc(C)c1C(C)C ZINC000061687702 522547202 /nfs/dbraw/zinc/54/72/02/522547202.db2.gz DUEGFBBPYGJHLG-UHFFFAOYSA-N 0 3 250.292 3.987 10 0 CHAEHN CC[C@H]1CCCCN1c1cc(Cl)ccc1CN ZINC000062786772 523030905 /nfs/dbraw/zinc/03/09/05/523030905.db2.gz YBPHWYLJVGZJNJ-ZDUSSCGKSA-N 0 3 252.789 3.568 10 0 CHAEHN CC[C@H]1CCCC[C@H]1OCc1cc(CN)c(C)o1 ZINC000052621684 523065554 /nfs/dbraw/zinc/06/55/54/523065554.db2.gz WZODNEOJBKSZDI-SWLSCSKDSA-N 0 3 251.370 3.532 10 0 CHAEHN CC[C@@H]1CCCC[C@H]1OCc1cc(CN)c(C)o1 ZINC000052621678 523227934 /nfs/dbraw/zinc/22/79/34/523227934.db2.gz WZODNEOJBKSZDI-IUODEOHRSA-N 0 3 251.370 3.532 10 0 CHAEHN CCc1ccc([C@H]2CCCCN2CCCCCO)o1 ZINC000130975206 524053865 /nfs/dbraw/zinc/05/38/65/524053865.db2.gz ORUFCXCIWGKZQG-OAHLLOKOSA-N 0 3 265.397 3.532 10 0 CHAEHN C[C@H]1CCC[C@@H](N(C)c2cc(Cl)ccc2CN)C1 ZINC000062786922 524145556 /nfs/dbraw/zinc/14/55/56/524145556.db2.gz FDDILKLMXSRMBB-SMDDNHRTSA-N 0 3 266.816 3.814 10 0 CHAEHN COc1ccc(Cl)cc1[C@@H](N)c1ccc(F)c(C)c1 ZINC000055225078 524252892 /nfs/dbraw/zinc/25/28/92/524252892.db2.gz JYDCZNADAZUYSR-HNNXBMFYSA-N 0 3 279.742 3.844 10 0 CHAEHN Cc1ccccc1NC(=O)CN[C@@H](C)c1ccccc1C ZINC000042267459 525239341 /nfs/dbraw/zinc/23/93/41/525239341.db2.gz DRJJPWGKCPTMJJ-HNNXBMFYSA-N 0 3 282.387 3.593 10 0 CHAEHN C[C@H](NCC(=O)N1CCCCC1)c1ccc2ccccc2c1 ZINC000102686747 525301526 /nfs/dbraw/zinc/30/15/26/525301526.db2.gz HIJGDEQALQKBFR-HNNXBMFYSA-N 0 3 296.414 3.503 10 0 CHAEHN COc1ccc([C@H](C)NCc2ccsc2C)cc1OC ZINC000293480637 525326890 /nfs/dbraw/zinc/32/68/90/525326890.db2.gz FUJCALRUSWQTQP-NSHDSACASA-N 0 3 291.416 3.925 10 0 CHAEHN C[C@H](NCc1cc[nH]c1)c1cccc(Br)c1 ZINC000080778020 525434640 /nfs/dbraw/zinc/43/46/40/525434640.db2.gz KODLLSSUIWTYTP-JTQLQIEISA-N 0 3 279.181 3.628 10 0 CHAEHN Cc1cnccc1CN[C@@H](C)c1cccc(Cl)c1 ZINC000228654118 526234983 /nfs/dbraw/zinc/23/49/83/526234983.db2.gz BIVRUQXTEXGBTR-LBPRGKRZSA-N 0 3 260.768 3.894 10 0 CHAEHN Fc1ccccc1CN1CCC[C@H](c2nccs2)C1 ZINC000157019374 526410270 /nfs/dbraw/zinc/41/02/70/526410270.db2.gz COYIZKKIUWYZSO-ZDUSSCGKSA-N 0 3 276.380 3.662 10 0 CHAEHN Cc1oc(CNCC(C)C)cc1COCC(C)C ZINC000052622748 526774089 /nfs/dbraw/zinc/77/40/89/526774089.db2.gz JTHFCLBQYSPMGU-UHFFFAOYSA-N 0 3 253.386 3.506 10 0 CHAEHN Clc1cc(Cl)c2c(c1)[C@H](NC1CCC1)CCO2 ZINC000052208524 526928564 /nfs/dbraw/zinc/92/85/64/526928564.db2.gz XKXKMOXLWCASPY-GFCCVEGCSA-N 0 3 272.175 3.959 10 0 CHAEHN Clc1ccc(-c2cc(CNC3CC3)[nH]n2)c(Cl)c1 ZINC000050479283 526932270 /nfs/dbraw/zinc/93/22/70/526932270.db2.gz ZDRVRQFFJCUURF-UHFFFAOYSA-N 0 3 282.174 3.636 10 0 CHAEHN NC1(c2nc(-c3cccc(Cl)c3)cs2)CCC1 ZINC000061713568 527132729 /nfs/dbraw/zinc/13/27/29/527132729.db2.gz CJBUYEDHEDMRCN-UHFFFAOYSA-N 0 3 264.781 3.801 10 0 CHAEHN NCc1cc(Cl)ccc1Oc1cccc(F)c1 ZINC000052858213 527248984 /nfs/dbraw/zinc/24/89/84/527248984.db2.gz LPGOFAWAEFGMSP-UHFFFAOYSA-N 0 3 251.688 3.730 10 0 CHAEHN N[C@@H](CCc1ccccc1)c1nc2c(s1)CCCC2 ZINC000061625688 527331390 /nfs/dbraw/zinc/33/13/90/527331390.db2.gz XVGMGGPGGDGYBA-ZDUSSCGKSA-N 0 3 272.417 3.655 10 0 CHAEHN N[C@@H](Cc1ccc(Cl)cc1Cl)c1cncc(F)c1 ZINC000049576231 527334477 /nfs/dbraw/zinc/33/44/77/527334477.db2.gz LSUNWECATMNCGQ-ZDUSSCGKSA-N 0 3 285.149 3.770 10 0 CHAEHN CCC[C@H](N)c1cc2ccc(Br)cc2o1 ZINC000675081338 567026635 /nfs/dbraw/zinc/02/66/35/567026635.db2.gz RNLCWZJZKMWBQH-JTQLQIEISA-N 0 3 268.154 3.995 10 0 CHAEHN CC(C)[C@@H](N)c1cc2c(cccc2Br)o1 ZINC000675081217 567028621 /nfs/dbraw/zinc/02/86/21/567028621.db2.gz MNMQGTSFLRCNPJ-GFCCVEGCSA-N 0 3 268.154 3.851 10 0 CHAEHN CCC(C)(C)NCc1nn(C(C)C)nc1-c1ccccc1 ZINC000057353281 567895059 /nfs/dbraw/zinc/89/50/59/567895059.db2.gz CUKLBJLFFJITIX-UHFFFAOYSA-N 0 3 286.423 3.804 10 0 CHAEHN CCC(C)(C)NC(=O)CN[C@H](C)c1cccc2ccccc21 ZINC000102690922 1123592224 /nfs/dbraw/zinc/59/22/24/1123592224.db2.gz UWIISCDAKYIHFC-CQSZACIVSA-N 0 3 298.430 3.795 10 0 CHAEHN CCOc1ccccc1-c1nc(C(C)C)c(CN)s1 ZINC000082431075 178009133 /nfs/dbraw/zinc/00/91/33/178009133.db2.gz HRZHVAFUXUHVEH-UHFFFAOYSA-N 0 3 276.405 3.791 10 0 CHAEHN CNCc1sc(Cc2ccccc2)nc1C(C)(C)C ZINC000082438844 178016930 /nfs/dbraw/zinc/01/69/30/178016930.db2.gz XPUYKBOPCCPVGO-UHFFFAOYSA-N 0 3 274.433 3.751 10 0 CHAEHN CC(C)(C)c1nc(C2CC2)sc1CNC1CC1 ZINC000082439911 178017855 /nfs/dbraw/zinc/01/78/55/178017855.db2.gz AGDKNCIAUNSVAE-UHFFFAOYSA-N 0 3 250.411 3.570 10 0 CHAEHN CCNCc1sc(C(C)(C)C)nc1C(C)(C)C ZINC000082440051 178018656 /nfs/dbraw/zinc/01/86/56/178018656.db2.gz TZXBGIFWBMQAOT-UHFFFAOYSA-N 0 3 254.443 3.848 10 0 CHAEHN CC(=O)[C@@H]1C[C@@H](c2ccccc2)N(Cc2ccccc2)C1 ZINC000095764185 185027391 /nfs/dbraw/zinc/02/73/91/185027391.db2.gz HPIOOTFKTKCKLG-MOPGFXCFSA-N 0 3 279.383 3.839 10 0 CHAEHN CCSc1cc(OC)c2c(c1OC)[C@H](C(C)C)NCC2 ZINC000096889059 185123806 /nfs/dbraw/zinc/12/38/06/185123806.db2.gz KCGFLUWXJKZXFP-HNNXBMFYSA-N 0 3 295.448 3.659 10 0 CHAEHN CCN[C@@H](C(=O)c1cc(C(C)C)ccc1C)C(C)C ZINC000096890729 185123839 /nfs/dbraw/zinc/12/38/39/185123839.db2.gz WGMVNAYRLMTQJT-MRXNPFEDSA-N 0 3 261.409 3.935 10 0 CHAEHN C[C@@H](N)c1nc2c(cccc2Cl)n1-c1ccccc1 ZINC000091692137 180228372 /nfs/dbraw/zinc/22/83/72/180228372.db2.gz ORCRDCMKMNJIAN-SNVBAGLBSA-N 0 3 271.751 3.699 10 0 CHAEHN N[C@@H]1CCCc2nc(Cc3ccc(Cl)cc3)sc21 ZINC000011850398 170447620 /nfs/dbraw/zinc/44/76/20/170447620.db2.gz NDHBQIVVZTYDJH-LLVKDONJSA-N 0 3 278.808 3.723 10 0 CHAEHN NCc1cccc(NC(=O)c2cccc3ccccc32)c1 ZINC000019272590 170767687 /nfs/dbraw/zinc/76/76/87/170767687.db2.gz YFNBDRCKEBAANI-UHFFFAOYSA-N 0 3 276.339 3.551 10 0 CHAEHN NCc1cccc(C(=O)Nc2cccc3ccccc32)c1 ZINC000019401062 170784704 /nfs/dbraw/zinc/78/47/04/170784704.db2.gz ITTOFWYABTWOLI-UHFFFAOYSA-N 0 3 276.339 3.551 10 0 CHAEHN Cc1ccc(C)c(O[C@@H](CN)c2ccccc2F)c1 ZINC000019671755 170835906 /nfs/dbraw/zinc/83/59/06/170835906.db2.gz APHPEIPVHASZPU-INIZCTEOSA-N 0 3 259.324 3.521 10 0 CHAEHN CCOc1ccc([C@@H](N)c2cc(Cl)ccc2F)cc1 ZINC000019967498 170948898 /nfs/dbraw/zinc/94/88/98/170948898.db2.gz LORKSSNHCLDRKP-OAHLLOKOSA-N 0 3 279.742 3.926 10 0 CHAEHN Cc1ccccc1[C@@H](C)N[C@H](CN(C)C)c1ccccc1 ZINC000020129396 171017145 /nfs/dbraw/zinc/01/71/45/171017145.db2.gz OOEMEKRRCOTUKZ-VQIMIIECSA-N 0 3 282.431 3.949 10 0 CHAEHN C[C@@H](N[C@H](C)[C@@H]1CCCO1)c1ccc(F)c(Cl)c1 ZINC000020208221 171072204 /nfs/dbraw/zinc/07/22/04/171072204.db2.gz QKNWBKHCVZPZOO-RULNRJAQSA-N 0 3 271.763 3.697 10 0 CHAEHN CN(Cc1cccc(Cl)c1)[C@@H](CN)c1cccs1 ZINC000020225322 171087706 /nfs/dbraw/zinc/08/77/06/171087706.db2.gz QXTLZKDYSJDCRD-ZDUSSCGKSA-N 0 3 280.824 3.533 10 0 CHAEHN CN(Cc1ccccc1F)[C@H](CN)c1cccc(Cl)c1 ZINC000020225955 171089402 /nfs/dbraw/zinc/08/94/02/171089402.db2.gz BOSLTBSYQNDSRU-MRXNPFEDSA-N 0 3 292.785 3.611 10 0 CHAEHN CN(Cc1ccc(F)cc1)[C@@H](CN)c1ccccc1Cl ZINC000020225908 171090127 /nfs/dbraw/zinc/09/01/27/171090127.db2.gz RRVVDJWFJBUDEM-INIZCTEOSA-N 0 3 292.785 3.611 10 0 CHAEHN CC(C)CN(C)[C@H](CN)c1ccc(Cl)cc1Cl ZINC000020226699 171091715 /nfs/dbraw/zinc/09/17/15/171091715.db2.gz OGJNVRADIRBRLW-CYBMUJFWSA-N 0 3 275.223 3.581 10 0 CHAEHN C[C@@H]1CCCC[C@H]1Oc1cccc(Cl)c1CN ZINC000020469975 171211867 /nfs/dbraw/zinc/21/18/67/171211867.db2.gz HVPHBZYHQYEMLQ-ZWNOBZJWSA-N 0 3 253.773 3.756 10 0 CHAEHN CCc1ccc([C@@H](N)COc2ccc(C)c(C)c2)cc1 ZINC000020546499 171243988 /nfs/dbraw/zinc/24/39/88/171243988.db2.gz YWOTVPLHHNYNRH-SFHVURJKSA-N 0 3 269.388 3.945 10 0 CHAEHN CC(C)c1ccc(OC[C@H](N)c2ccccc2)cc1 ZINC000020564196 171253025 /nfs/dbraw/zinc/25/30/25/171253025.db2.gz SJURMUUHQCVYRR-KRWDZBQOSA-N 0 3 255.361 3.889 10 0 CHAEHN Nc1cnccc1Nc1ccc(Cl)cc1Cl ZINC000020584958 171258160 /nfs/dbraw/zinc/25/81/60/171258160.db2.gz ZBIMYOLQZPZYTH-UHFFFAOYSA-N 0 3 254.120 3.714 10 0 CHAEHN Fc1ccc(N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000020595869 171264750 /nfs/dbraw/zinc/26/47/50/171264750.db2.gz IPBPSIKVMHBMCH-KRWDZBQOSA-N 0 3 270.351 3.512 10 0 CHAEHN Cc1ccc(OC[C@H](N)c2ccc(C)cc2C)cc1 ZINC000021009019 171285868 /nfs/dbraw/zinc/28/58/68/171285868.db2.gz QYZWTXXYYZPJSH-KRWDZBQOSA-N 0 3 255.361 3.691 10 0 CHAEHN Cc1cc(C)c([C@@H](N)COc2ccccc2)c(C)c1 ZINC000021020239 171290478 /nfs/dbraw/zinc/29/04/78/171290478.db2.gz OPRBVBWYJYUTPQ-INIZCTEOSA-N 0 3 255.361 3.691 10 0 CHAEHN CCc1cccc(OC[C@H](N)c2ccc(C)cc2)c1 ZINC000021508563 171308667 /nfs/dbraw/zinc/30/86/67/171308667.db2.gz HSNZPPYYGSFEDK-KRWDZBQOSA-N 0 3 255.361 3.636 10 0 CHAEHN CCOc1cc2c(cc1CNCCC(C)C)O[C@@H](C)C2 ZINC000021507962 171308781 /nfs/dbraw/zinc/30/87/81/171308781.db2.gz RYHHWTAAIYIYTK-ZDUSSCGKSA-N 0 3 277.408 3.544 10 0 CHAEHN CCOc1ccc([C@@H](N)COc2c(C)cccc2C)cc1 ZINC000021515358 171311793 /nfs/dbraw/zinc/31/17/93/171311793.db2.gz RHWANFYKOGCORY-KRWDZBQOSA-N 0 3 285.387 3.781 10 0 CHAEHN CN(C)Cc1sc(N)nc1-c1ccc2ccccc2c1 ZINC000026442869 171484573 /nfs/dbraw/zinc/48/45/73/171484573.db2.gz KWHWXAFZSQQRFB-UHFFFAOYSA-N 0 3 283.400 3.607 10 0 CHAEHN Fc1ccc(Oc2ccccc2CNC2CC2)cc1 ZINC000034833923 171882135 /nfs/dbraw/zinc/88/21/35/171882135.db2.gz QDLCKXMJCQXPON-UHFFFAOYSA-N 0 3 257.308 3.870 10 0 CHAEHN CC(C)CCNCC(=O)Nc1c(Cl)cccc1Cl ZINC000035159838 172017505 /nfs/dbraw/zinc/01/75/05/172017505.db2.gz JZKLDCYXDJBEQC-UHFFFAOYSA-N 0 3 289.206 3.568 10 0 CHAEHN Cc1ccc(CN[C@H]2CCCC[C@H]2C(F)(F)F)o1 ZINC000035258123 172089348 /nfs/dbraw/zinc/08/93/48/172089348.db2.gz PEKMDTGHNUNXPU-NEPJUHHUSA-N 0 3 261.287 3.799 10 0 CHAEHN COc1ccc([C@H](N)c2cc3c(s2)CCC3)c(C)c1 ZINC000035381198 172163533 /nfs/dbraw/zinc/16/35/33/172163533.db2.gz GWIDDWZVDMMPBP-INIZCTEOSA-N 0 3 273.401 3.602 10 0 CHAEHN COc1ccc([C@H](N)c2cc(Cl)ccc2F)cc1F ZINC000035424597 172193318 /nfs/dbraw/zinc/19/33/18/172193318.db2.gz JNQSZUYEBVTSQD-AWEZNQCLSA-N 0 3 283.705 3.675 10 0 CHAEHN CN[C@@H](c1ccc(C)s1)c1ccccc1OC(F)F ZINC000035458764 172207354 /nfs/dbraw/zinc/20/73/54/172207354.db2.gz CHLSPKHALMUCEL-CYBMUJFWSA-N 0 3 283.343 3.967 10 0 CHAEHN CN[C@H](c1ccc(C)c(C)c1)c1cc(F)cc(F)c1 ZINC000035457409 172207789 /nfs/dbraw/zinc/20/77/89/172207789.db2.gz POENENMFUHXCFI-MRXNPFEDSA-N 0 3 261.315 3.890 10 0 CHAEHN CN[C@H](CC(F)(F)F)c1ccc(OC)c(Cl)c1 ZINC000035462219 172210839 /nfs/dbraw/zinc/21/08/39/172210839.db2.gz BJCZPYDAWHOQPA-SECBINFHSA-N 0 3 267.678 3.562 10 0 CHAEHN CCOc1ccccc1[C@@H](NC)c1ccc(F)cc1 ZINC000035463876 172211337 /nfs/dbraw/zinc/21/13/37/172211337.db2.gz OUVRKWRUVRUTKK-INIZCTEOSA-N 0 3 259.324 3.533 10 0 CHAEHN CN[C@H](c1cc2c(s1)CCCC2)c1ccccc1 ZINC000035464794 172212464 /nfs/dbraw/zinc/21/24/64/172212464.db2.gz CZDYYTMEKHGIGQ-INIZCTEOSA-N 0 3 257.402 3.936 10 0 CHAEHN CN[C@@H](CCc1ccccc1)c1cc(F)ccc1F ZINC000035468734 172218585 /nfs/dbraw/zinc/21/85/85/172218585.db2.gz YDNQBQGWKSVESI-INIZCTEOSA-N 0 3 261.315 3.858 10 0 CHAEHN CN[C@@H](c1cccs1)c1ccc(OC(F)F)cc1 ZINC000035487884 172223342 /nfs/dbraw/zinc/22/33/42/172223342.db2.gz LPCBLMOCLZVNHT-GFCCVEGCSA-N 0 3 269.316 3.658 10 0 CHAEHN CN[C@@H](c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000035498419 172231989 /nfs/dbraw/zinc/23/19/89/172231989.db2.gz XRUNOONDJVBDEI-GFCCVEGCSA-N 0 3 255.745 3.849 10 0 CHAEHN CCN[C@H](c1sccc1C)c1ccc(OC)cc1 ZINC000035540710 172246926 /nfs/dbraw/zinc/24/69/26/172246926.db2.gz PVIIGBNZTPXUPK-AWEZNQCLSA-N 0 3 261.390 3.764 10 0 CHAEHN CCN[C@@H](c1cccs1)c1ccc(F)c(F)c1 ZINC000035545452 172253455 /nfs/dbraw/zinc/25/34/55/172253455.db2.gz YJLKYKXSWLNPGB-CYBMUJFWSA-N 0 3 253.317 3.725 10 0 CHAEHN CCN[C@@H](CC(C)(C)C)c1cc(F)ccc1OC ZINC000035554599 172260927 /nfs/dbraw/zinc/26/09/27/172260927.db2.gz KYCHDLPZUKEGJI-ZDUSSCGKSA-N 0 3 253.361 3.921 10 0 CHAEHN CCN[C@H](c1cc(OC)c(OC)cc1Cl)[C@@H]1C[C@@H]1C ZINC000035557639 172263899 /nfs/dbraw/zinc/26/38/99/172263899.db2.gz VBWQQJLQWJWSAL-WMFXKJRFSA-N 0 3 283.799 3.664 10 0 CHAEHN CCCN[C@H](CC(F)(F)F)c1ccc(OC)cc1 ZINC000035576701 172273492 /nfs/dbraw/zinc/27/34/92/172273492.db2.gz BUSGGAKIWYHPLF-GFCCVEGCSA-N 0 3 261.287 3.688 10 0 CHAEHN CCCN[C@H](c1ccc(Cl)s1)[C@@H]1CCCO1 ZINC000035583671 172281716 /nfs/dbraw/zinc/28/17/16/172281716.db2.gz GXIUZCOIDHSDDZ-CABZTGNLSA-N 0 3 259.802 3.621 10 0 CHAEHN CCCN[C@H](Cc1ncc[nH]1)c1ccc(Cl)cc1Cl ZINC000035586352 172285552 /nfs/dbraw/zinc/28/55/52/172285552.db2.gz ABUVRTFLDLGMBS-CYBMUJFWSA-N 0 3 298.217 4.000 10 0 CHAEHN Clc1cc(Cl)c2c(c1)[C@@H](NC1CC1)CCO2 ZINC000035654186 172330522 /nfs/dbraw/zinc/33/05/22/172330522.db2.gz LCXPWNOUWDRTNU-NSHDSACASA-N 0 3 258.148 3.569 10 0 CHAEHN CN(Cc1cccs1)[C@@H](CN)c1ccccc1Cl ZINC000035717268 172371195 /nfs/dbraw/zinc/37/11/95/172371195.db2.gz FKLBCNMEJXYIAZ-AWEZNQCLSA-N 0 3 280.824 3.533 10 0 CHAEHN CN(Cc1cccs1)[C@H](CN)c1ccc(Cl)cc1 ZINC000035717253 172371260 /nfs/dbraw/zinc/37/12/60/172371260.db2.gz BAYZUGQEVUHGRB-CQSZACIVSA-N 0 3 280.824 3.533 10 0 CHAEHN CN(Cc1cccs1)[C@@H](CN)c1ccc(Cl)cc1 ZINC000035717251 172371532 /nfs/dbraw/zinc/37/15/32/172371532.db2.gz BAYZUGQEVUHGRB-AWEZNQCLSA-N 0 3 280.824 3.533 10 0 CHAEHN CCCCCN(C)c1cccc(F)c1[C@H](C)NC ZINC000037171806 173005212 /nfs/dbraw/zinc/00/52/12/173005212.db2.gz FQANAHPAQROWBB-LBPRGKRZSA-N 0 3 252.377 3.733 10 0 CHAEHN COc1ccc(CN[C@H](c2cccs2)C(C)C)cn1 ZINC000037235992 173054237 /nfs/dbraw/zinc/05/42/37/173054237.db2.gz WJTIOHQFONMGOK-HNNXBMFYSA-N 0 3 276.405 3.639 10 0 CHAEHN CSCC[C@H](N)c1nc2cc(C)ccc2n1C(C)C ZINC000037438533 173208952 /nfs/dbraw/zinc/20/89/52/173208952.db2.gz LEJZGHCFYMVHPZ-LBPRGKRZSA-N 0 3 277.437 3.679 10 0 CHAEHN CCn1c2c(cccc2Cl)nc1[C@@H](N)CC(C)C ZINC000037443877 173211984 /nfs/dbraw/zinc/21/19/84/173211984.db2.gz VUPNMNVLZJUVTL-NSHDSACASA-N 0 3 265.788 3.756 10 0 CHAEHN COc1cccc([C@@H](N)c2cccc(Br)c2)c1 ZINC000037533845 173254570 /nfs/dbraw/zinc/25/45/70/173254570.db2.gz HDXISPMRLANIEE-AWEZNQCLSA-N 0 3 292.176 3.506 10 0 CHAEHN CCNCc1c(Cl)cccc1N1CCC[C@H]1CC ZINC000037914663 173848497 /nfs/dbraw/zinc/84/84/97/173848497.db2.gz IDHHDOALUHRKOH-GFCCVEGCSA-N 0 3 266.816 3.828 10 0 CHAEHN Cc1cc(C)cc(CN(C)Cc2ccccc2N)c1 ZINC000038076867 174087598 /nfs/dbraw/zinc/08/75/98/174087598.db2.gz GIJDMDMPEAYDRR-UHFFFAOYSA-N 0 3 254.377 3.518 10 0 CHAEHN N[C@@H]1CCCOc2c(Br)c3ccccc3cc21 ZINC000038077574 174087947 /nfs/dbraw/zinc/08/79/47/174087947.db2.gz XEHPHHPLKBMFES-GFCCVEGCSA-N 0 3 292.176 3.775 10 0 CHAEHN Cc1cc([C@@H](N)Cc2ccc(Br)cc2)c(C)o1 ZINC000038128448 174131574 /nfs/dbraw/zinc/13/15/74/174131574.db2.gz UKAYZOMFNPUHQG-AWEZNQCLSA-N 0 3 294.192 3.901 10 0 CHAEHN NC[C@@H](c1ccc(Cl)cc1Cl)N1CCCCCC1 ZINC000039142608 174164455 /nfs/dbraw/zinc/16/44/55/174164455.db2.gz VOTKQXKBHQRRPI-AWEZNQCLSA-N 0 3 287.234 3.869 10 0 CHAEHN CN[C@@H]1CC(C)(C)Oc2cc(OCC(C)C)ccc21 ZINC000044421729 175174164 /nfs/dbraw/zinc/17/41/64/175174164.db2.gz LPCUAHAIJYBDNU-CQSZACIVSA-N 0 3 263.381 3.543 10 0 CHAEHN NCc1cccc(C(=O)Nc2ccc3ccccc3c2)c1 ZINC000044880045 175269639 /nfs/dbraw/zinc/26/96/39/175269639.db2.gz OLRGFBFEMAXBFN-UHFFFAOYSA-N 0 3 276.339 3.551 10 0 CHAEHN C[C@H](c1ccccc1)N1Cc2ccc(F)cc2C1=N ZINC000071268590 176102037 /nfs/dbraw/zinc/10/20/37/176102037.db2.gz LEARAXKCCOSOTD-LLVKDONJSA-N 0 3 254.308 3.728 10 0 CHAEHN COc1ccc2c(c1)C1(CC1)CN[C@H]2c1cccc(C)c1 ZINC000071630429 176236084 /nfs/dbraw/zinc/23/60/84/176236084.db2.gz LQXJMPZLZVULDN-SFHVURJKSA-N 0 3 279.383 3.728 10 0 CHAEHN COCc1c(CNC(C)C)oc2cc(C)cc(C)c21 ZINC000077071478 177187060 /nfs/dbraw/zinc/18/70/60/177187060.db2.gz FRLWAAACOUFCQI-UHFFFAOYSA-N 0 3 261.365 3.694 10 0 CHAEHN COc1ccc([C@@H](N)c2c(C)oc(C)c2C)cc1Cl ZINC000077088678 177212226 /nfs/dbraw/zinc/21/22/26/177212226.db2.gz HMMVCOMHCZIBGC-OAHLLOKOSA-N 0 3 279.767 3.915 10 0 CHAEHN Cc1ccc([C@](C)(O)CNc2ccnc3c(C)cccc23)o1 ZINC000301648688 227626150 /nfs/dbraw/zinc/62/61/50/227626150.db2.gz FFBXKVANHMWYAF-GOSISDBHSA-N 0 3 296.370 3.764 10 0 CHAEHN Cc1cccc2c(NCCc3ccc(CO)cc3)ccnc12 ZINC000302020136 227760154 /nfs/dbraw/zinc/76/01/54/227760154.db2.gz NMBCGLKFXSDYCI-UHFFFAOYSA-N 0 3 292.382 3.690 10 0 CHAEHN Cc1ccc([C@@H](C)NCc2cncn2C(C)C)c(C)c1 ZINC000090208552 260239228 /nfs/dbraw/zinc/23/92/28/260239228.db2.gz HXHSDZJCHTZDOV-OAHLLOKOSA-N 0 3 271.408 3.932 10 0 CHAEHN CCCn1ccc(CN[C@H](C)c2ccc(OC)c(F)c2)c1 ZINC000091011413 260264598 /nfs/dbraw/zinc/26/45/98/260264598.db2.gz IKSSTNZOZXZJGW-CYBMUJFWSA-N 0 3 290.382 3.897 10 0 CHAEHN CCn1cccc1CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000091024546 260265073 /nfs/dbraw/zinc/26/50/73/260265073.db2.gz XWVAXHZSZXJNJN-LBPRGKRZSA-N 0 3 276.355 3.507 10 0 CHAEHN CCn1cccc1CNCc1ccc(C(F)(F)F)cc1 ZINC000091127718 260265299 /nfs/dbraw/zinc/26/52/99/260265299.db2.gz ZXLASCWSFVKOKP-UHFFFAOYSA-N 0 3 282.309 3.817 10 0 CHAEHN CCn1cccc1CN[C@H]1CCCc2ccccc21 ZINC000091022924 260265351 /nfs/dbraw/zinc/26/53/51/260265351.db2.gz MUXMKUWJISMNHI-KRWDZBQOSA-N 0 3 254.377 3.675 10 0 CHAEHN Cc1ccccc1[C@@H](NC[C@H](C)CCO)c1ccccc1 ZINC000093248990 260273381 /nfs/dbraw/zinc/27/33/81/260273381.db2.gz TUYRUXJHISYQBL-BEFAXECRSA-N 0 3 283.415 3.693 10 0 CHAEHN Cc1cccc(N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 ZINC000129238914 260386430 /nfs/dbraw/zinc/38/64/30/260386430.db2.gz ADOUFKHLZTVPAT-AEFFLSMTSA-N 0 3 295.430 3.855 10 0 CHAEHN CCc1ccc([C@@H](C)N[C@H](CN(C)C)c2ccccc2)o1 ZINC000163874053 261332629 /nfs/dbraw/zinc/33/26/29/261332629.db2.gz OIVMDLMGKIAXEU-RHSMWYFYSA-N 0 3 286.419 3.796 10 0 CHAEHN Cc1ccc([C@H]2CCCCN2CCc2cccnc2)o1 ZINC000172868897 261513942 /nfs/dbraw/zinc/51/39/42/261513942.db2.gz DIMVODUMLJGRIP-MRXNPFEDSA-N 0 3 270.376 3.753 10 0 CHAEHN Cc1cn[nH]c1CN[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000289746870 263111798 /nfs/dbraw/zinc/11/17/98/263111798.db2.gz FEOZLKUSMHWQLV-CYBMUJFWSA-N 0 3 271.408 3.866 10 0 CHAEHN CCn1cccc1CN[C@H](C)c1ccc(C)c(F)c1 ZINC000094952628 265277412 /nfs/dbraw/zinc/27/74/12/265277412.db2.gz JSRBCXDZUWHVKR-CYBMUJFWSA-N 0 3 260.356 3.806 10 0 CHAEHN Fc1ccc(OCCN2CCC[C@H]2c2ccco2)cc1 ZINC000116293011 267137541 /nfs/dbraw/zinc/13/75/41/267137541.db2.gz OUHRBDIVNJAKLC-HNNXBMFYSA-N 0 3 275.323 3.635 10 0 CHAEHN Fc1cccc(OCCN2CCC[C@H]2c2ccco2)c1 ZINC000116292235 267137568 /nfs/dbraw/zinc/13/75/68/267137568.db2.gz CLYWRPCTWXUWGH-HNNXBMFYSA-N 0 3 275.323 3.635 10 0 CHAEHN Cc1c2ccccc2oc1[C@H](C)N[C@H](CO)CC(C)C ZINC000040775723 328020359 /nfs/dbraw/zinc/02/03/59/328020359.db2.gz PLCUGKCHISNODW-KBPBESRZSA-N 0 3 275.392 3.799 10 0 CHAEHN Fc1ccc(CCN2CCC[C@H]2c2ccco2)cc1F ZINC000152094352 328065183 /nfs/dbraw/zinc/06/51/83/328065183.db2.gz XKLFUPJARBMVMN-HNNXBMFYSA-N 0 3 277.314 3.937 10 0 CHAEHN CCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000036959788 326878427 /nfs/dbraw/zinc/87/84/27/326878427.db2.gz GZCRXJSIKXJXKA-KBPBESRZSA-N 0 3 290.451 3.549 10 0 CHAEHN CC[C@H](NCc1cnn(C)c1C)c1ccc(Cl)cc1 ZINC000093649573 327132699 /nfs/dbraw/zinc/13/26/99/327132699.db2.gz KSMCRPWLBYRKJB-HNNXBMFYSA-N 0 3 277.799 3.623 10 0 CHAEHN CNCc1ccccc1NC(=O)c1csc2ccccc12 ZINC000042891990 327242475 /nfs/dbraw/zinc/24/24/75/327242475.db2.gz JOBNDYMNJVCJKG-UHFFFAOYSA-N 0 3 296.395 3.873 10 0 CHAEHN C=Cn1cc(CN[C@H](C)c2ccc3ccccc3c2)cn1 ZINC000194178873 329066400 /nfs/dbraw/zinc/06/64/00/329066400.db2.gz AHCIXGCTPYAMJZ-CQSZACIVSA-N 0 3 277.371 3.988 10 0 CHAEHN Cc1nccn1C[C@@H]1CCCN1Cc1cc2ccccc2o1 ZINC000178543995 329198349 /nfs/dbraw/zinc/19/83/49/329198349.db2.gz XPYDLJNCGHJCSA-INIZCTEOSA-N 0 3 295.386 3.602 10 0 CHAEHN COCCC[C@@H](C)N[C@H](c1ccccc1)c1cccnc1 ZINC000178612476 329201315 /nfs/dbraw/zinc/20/13/15/329201315.db2.gz VCRICXUQRSJHMC-CRAIPNDOSA-N 0 3 284.403 3.576 10 0 CHAEHN C[C@H](NCc1ccc(Oc2ccccc2)o1)[C@H]1CCCO1 ZINC000180791873 329223173 /nfs/dbraw/zinc/22/31/73/329223173.db2.gz PBDBXPVVIIEXJP-XJKSGUPXSA-N 0 3 287.359 3.729 10 0 CHAEHN Cc1csc([C@H]2CCCN(C[C@@H]3CCC(C)(C)O3)C2)n1 ZINC000184671249 329261692 /nfs/dbraw/zinc/26/16/92/329261692.db2.gz GFJLXYAGIIIYQS-KBPBESRZSA-N 0 3 294.464 3.589 10 0 CHAEHN Fc1ccc(CNCc2cccc(-c3ccccn3)c2)cn1 ZINC000189165777 329376632 /nfs/dbraw/zinc/37/66/32/329376632.db2.gz UUXBQANCJQZNJB-UHFFFAOYSA-N 0 3 293.345 3.573 10 0 CHAEHN CC[C@H](N[C@H]1C[C@H]1C)c1ccccc1OC(F)F ZINC000246880808 329871999 /nfs/dbraw/zinc/87/19/99/329871999.db2.gz CZTMQIBFDWWILS-USWWRNFRSA-N 0 3 255.308 3.737 10 0 CHAEHN C[C@H](N[C@H]1CCO[C@@H](C2CC2)C1)c1ccccc1Cl ZINC000248908315 329902220 /nfs/dbraw/zinc/90/22/20/329902220.db2.gz VCAGCSJIUGDCKC-DETPVDSQSA-N 0 3 279.811 3.948 10 0 CHAEHN CCOC[C@@H](C)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000044690305 330332223 /nfs/dbraw/zinc/33/22/23/330332223.db2.gz RNQVEIJBRJNWKW-CABCVRRESA-N 0 3 279.424 3.797 10 0 CHAEHN Cc1cnn(CCN[C@H](C)c2ccc(C(C)C)cc2)c1 ZINC000106402689 330337593 /nfs/dbraw/zinc/33/75/93/330337593.db2.gz LMYKYJWALSOCAF-OAHLLOKOSA-N 0 3 271.408 3.666 10 0 CHAEHN CCCCOC[C@@H](O)CN[C@@H](CC)c1cccc(Cl)c1 ZINC000195211144 331158594 /nfs/dbraw/zinc/15/85/94/331158594.db2.gz WZIFASYDAGESCZ-HOTGVXAUSA-N 0 3 299.842 3.558 10 0 CHAEHN CC[C@@H](O)CCN[C@H](c1ccccc1)c1ccccc1C ZINC000166130947 331306649 /nfs/dbraw/zinc/30/66/49/331306649.db2.gz JPCCSPIFYSUVLV-IEBWSBKVSA-N 0 3 283.415 3.835 10 0 CHAEHN C[C@@H]1C[C@@H](CNCc2c(F)cccc2Cl)C[C@H](C)O1 ZINC000466408751 331395547 /nfs/dbraw/zinc/39/55/47/331395547.db2.gz IFRLCBXWQQDKIM-ZSBIGDGJSA-N 0 3 285.790 3.772 10 0 CHAEHN Cc1csc([C@@H]2CCCN(Cc3ccccc3F)C2)n1 ZINC000195337220 333250717 /nfs/dbraw/zinc/25/07/17/333250717.db2.gz IBGBFSJFEKTLAE-CQSZACIVSA-N 0 3 290.407 3.970 10 0 CHAEHN OCC[C@H]1CCN(Cc2sc3ccccc3c2Cl)C1 ZINC000227575105 333286125 /nfs/dbraw/zinc/28/61/25/333286125.db2.gz KLPCIQVYAAIZRL-LLVKDONJSA-N 0 3 295.835 3.759 10 0 CHAEHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037007448 333459858 /nfs/dbraw/zinc/45/98/58/333459858.db2.gz INBQNFHAAWRPIF-HEHGZKQESA-N 0 3 290.451 3.535 10 0 CHAEHN COc1ccccc1CN[C@H](C)c1cccc(C)c1 ZINC000037195534 333511872 /nfs/dbraw/zinc/51/18/72/333511872.db2.gz VNXXDGUMHDPHHN-CQSZACIVSA-N 0 3 255.361 3.854 10 0 CHAEHN CC[C@@H](CCO)N[C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000126729665 333603566 /nfs/dbraw/zinc/60/35/66/333603566.db2.gz SXLOJLRVLCVYEV-SWLSCSKDSA-N 0 3 297.826 3.613 10 0 CHAEHN CC[C@@H](C)CN[C@@H](C)c1nc2ccccc2n1CC ZINC000133567725 334045338 /nfs/dbraw/zinc/04/53/38/334045338.db2.gz DIXBAXVBPYTVEO-OLZOCXBDSA-N 0 3 259.397 3.753 10 0 CHAEHN Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@@H](C)[C@H]1CCCO1 ZINC000249292898 334331641 /nfs/dbraw/zinc/33/16/41/334331641.db2.gz AVJPMLHONVZRAY-GMXVVIOVSA-N 0 3 296.480 3.967 10 0 CHAEHN C[C@@H]1C[C@H]1N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000251742371 334368598 /nfs/dbraw/zinc/36/85/98/334368598.db2.gz CVMZVQHZGXAKEF-CSMYWGQOSA-N 0 3 255.336 3.913 10 0 CHAEHN C[C@H](N[C@H]1CCCC[C@H]1O)c1cc(Cl)ccc1Cl ZINC000251799853 334369796 /nfs/dbraw/zinc/36/97/96/334369796.db2.gz XZBFUIDGSSKDLF-QCZZGDTMSA-N 0 3 288.218 3.948 10 0 CHAEHN Oc1ccc2c(c1)[C@@H](NCCOCc1ccccc1)CCC2 ZINC000361009465 335839188 /nfs/dbraw/zinc/83/91/88/335839188.db2.gz KJIAYERSCUOHDV-IBGZPJMESA-N 0 3 297.398 3.576 10 0 CHAEHN CC(C)C[C@@H](C)OCc1cc(CNC(C)C)co1 ZINC000052603643 519773997 /nfs/dbraw/zinc/77/39/97/519773997.db2.gz ZUHYKZGRJQOEFD-CYBMUJFWSA-N 0 3 253.386 3.729 10 0 CHAEHN CCCC1CCN([C@H](CN)c2ccc(Cl)s2)CC1 ZINC000050892955 519903144 /nfs/dbraw/zinc/90/31/44/519903144.db2.gz XKRYARZHGSJCAP-GFCCVEGCSA-N 0 3 286.872 3.913 10 0 CHAEHN CCCN(CCC)Cc1csc(CNC(C)(C)C)n1 ZINC000052416674 521649411 /nfs/dbraw/zinc/64/94/11/521649411.db2.gz AZLDOVAWAGTDAZ-UHFFFAOYSA-N 0 3 283.485 3.653 10 0 CHAEHN CNCc1oc(COc2ccc(Cl)cc2)cc1C ZINC000052665277 522159913 /nfs/dbraw/zinc/15/99/13/522159913.db2.gz PQRDACJFUDWPSW-UHFFFAOYSA-N 0 3 265.740 3.540 10 0 CHAEHN CC(C)c1ccc([C@H](N)CNC(=O)C[C@H](C)C(C)C)cc1 ZINC000236657951 519840160 /nfs/dbraw/zinc/84/01/60/519840160.db2.gz DXKJMRLPJINORI-WMLDXEAASA-N 0 3 290.451 3.608 10 0 CHAEHN CCCN1C[C@H](c2ccccc2)NCc2ccccc21 ZINC000062662947 519864494 /nfs/dbraw/zinc/86/44/94/519864494.db2.gz FBRKHKUMSMCGQC-QGZVFWFLSA-N 0 3 266.388 3.748 10 0 CHAEHN CCCNCc1nc(CN(C)[C@H](C)C(C)(C)C)cs1 ZINC000052504223 519966288 /nfs/dbraw/zinc/96/62/88/519966288.db2.gz VILXCLNGZOUHNK-GFCCVEGCSA-N 0 3 283.485 3.509 10 0 CHAEHN CCCNCc1nc(-c2cc(C)c(C)cc2C)c[nH]1 ZINC000055265681 519967949 /nfs/dbraw/zinc/96/79/49/519967949.db2.gz VJCRFGZLEZWMDJ-UHFFFAOYSA-N 0 3 257.381 3.502 10 0 CHAEHN CCNCc1ccoc1COc1cc(C)cc(C)c1 ZINC000052666363 520014094 /nfs/dbraw/zinc/01/40/94/520014094.db2.gz ONNONDRNYZQZOC-UHFFFAOYSA-N 0 3 259.349 3.585 10 0 CHAEHN CCCN[C@@H](c1cc(F)ccc1F)[C@H]1CCCCO1 ZINC000050962491 520015428 /nfs/dbraw/zinc/01/54/28/520015428.db2.gz LTRFYHUYCARXDZ-CABCVRRESA-N 0 3 269.335 3.575 10 0 CHAEHN Cc1ccc2nccc(N[C@H](C)[C@@H]3CCCO3)c2c1 ZINC000302136624 534522598 /nfs/dbraw/zinc/52/25/98/534522598.db2.gz BLMOMYYRBCPBFX-WBMJQRKESA-N 0 3 256.349 3.523 10 0 CHAEHN CNCc1cc(F)c(Oc2cccc(C)c2)c(F)c1 ZINC000062720417 522113452 /nfs/dbraw/zinc/11/34/52/522113452.db2.gz QNAUNMKWLXETKJ-UHFFFAOYSA-N 0 3 263.287 3.785 10 0 CHAEHN CNCc1ccc(COc2c(C)cc(Cl)cc2C)o1 ZINC000052651363 522116064 /nfs/dbraw/zinc/11/60/64/522116064.db2.gz LYGMSTMPULNYEF-UHFFFAOYSA-N 0 3 279.767 3.848 10 0 CHAEHN C[C@@H](Cc1ccsc1)NCc1c(F)cccc1F ZINC000049154146 524939645 /nfs/dbraw/zinc/93/96/45/524939645.db2.gz KBAUXGOVTBIKBX-JTQLQIEISA-N 0 3 267.344 3.747 10 0 CHAEHN C[C@](N)(c1cccc(Cl)c1)c1cc(F)ccc1F ZINC000055242735 525150451 /nfs/dbraw/zinc/15/04/51/525150451.db2.gz IYZVNSOWVLSDMT-AWEZNQCLSA-N 0 3 267.706 3.840 10 0 CHAEHN C[C@H](N[C@H]1C[C@@H]1C)c1ccc(Br)s1 ZINC000052275047 525635312 /nfs/dbraw/zinc/63/53/12/525635312.db2.gz SFAIBOSCCGIIEC-FXQIFTODSA-N 0 3 260.200 3.570 10 0 CHAEHN C[C@@H](N[C@@H](C)c1cnc2ccsc2c1)[C@@H]1CCCO1 ZINC000085433304 525619234 /nfs/dbraw/zinc/61/92/34/525619234.db2.gz VRJIBFZSOYLHRE-WDMOLILDSA-N 0 3 276.405 3.514 10 0 CHAEHN C[C@@H](N[C@H]1CCOc2ccccc21)c1ccc2c(c1)CCO2 ZINC000193003211 525688981 /nfs/dbraw/zinc/68/89/81/525688981.db2.gz QCCDTRRLYAJTFN-DYVFJYSZSA-N 0 3 295.382 3.796 10 0 CHAEHN Cc1ccc([C@@H](C)NCc2cncc(F)c2)c(C)c1 ZINC000275162147 525735725 /nfs/dbraw/zinc/73/57/25/525735725.db2.gz JDCRAZCDUSJALJ-CYBMUJFWSA-N 0 3 258.340 3.688 10 0 CHAEHN Cc1ccc([C@@H](C)NCc2ccnn2C(C)C)c(C)c1 ZINC000279813203 525737650 /nfs/dbraw/zinc/73/76/50/525737650.db2.gz FVGXWEFMNDYJGP-OAHLLOKOSA-N 0 3 271.408 3.932 10 0 CHAEHN Cc1ccc([C@H](C)N2Cc3ccccc3C2=N)s1 ZINC000049184050 525885039 /nfs/dbraw/zinc/88/50/39/525885039.db2.gz FJPPFNXQHMDQEZ-NSHDSACASA-N 0 3 256.374 3.959 10 0 CHAEHN Cc1ccc2c(c1)CCCN2c1ncc([C@H](C)N)s1 ZINC000054894739 526147939 /nfs/dbraw/zinc/14/79/39/526147939.db2.gz ILDDAOQRFJODMQ-NSHDSACASA-N 0 3 273.405 3.556 10 0 CHAEHN C[C@@H](c1nc(-c2ccccc2)no1)[C@H](N)c1ccccc1 ZINC000157947119 526162974 /nfs/dbraw/zinc/16/29/74/526162974.db2.gz HUHHYQLXKLBWNN-DOMZBBRYSA-N 0 3 279.343 3.540 10 0 CHAEHN Cc1csc([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1 ZINC000156981294 526442867 /nfs/dbraw/zinc/44/28/67/526442867.db2.gz YYBCHTMCADBULZ-AWEZNQCLSA-N 0 3 290.407 3.970 10 0 CHAEHN c1ccc2c(c1)OC1(CCCC1)C[C@@H]2NCC1=CCCOC1 ZINC000127959301 526510436 /nfs/dbraw/zinc/51/04/36/526510436.db2.gz RZZFHIVZQZFLFO-KRWDZBQOSA-N 0 3 299.414 3.759 10 0 CHAEHN Cc1nc(-c2ccc(Cl)cc2)nc(NN)c1C(C)C ZINC000061689008 526572167 /nfs/dbraw/zinc/57/21/67/526572167.db2.gz DMKHVLXPXGZKKF-UHFFFAOYSA-N 0 3 276.771 3.514 10 0 CHAEHN Cc1nc(C(C)(C)C)sc1[C@@H](C)N[C@@H]1C[C@@H]1C ZINC000052274789 526661249 /nfs/dbraw/zinc/66/12/49/526661249.db2.gz VZYIWYKUZYFDHK-IQJOONFLSA-N 0 3 252.427 3.808 10 0 CHAEHN Cc1nc(Cc2ccc(F)cc2Cl)sc1[C@@H](C)N ZINC000062608471 526928199 /nfs/dbraw/zinc/92/81/99/526928199.db2.gz WVEKFIYCSMYMGV-SSDOTTSWSA-N 0 3 284.787 3.855 10 0 CHAEHN Brc1ccc([C@@H]2NCCc3sccc32)cc1 ZINC000084704909 567032512 /nfs/dbraw/zinc/03/25/12/567032512.db2.gz QHMLCOYOOMFHHT-ZDUSSCGKSA-N 0 3 294.217 3.746 10 0 CHAEHN Clc1csc([C@H]2NCCc3ccsc32)c1 ZINC000712513702 567850675 /nfs/dbraw/zinc/85/06/75/567850675.db2.gz UFPJDJDWICSDMH-SNVBAGLBSA-N 0 3 255.795 3.698 10 0 CHAEHN CCCCCNCc1nn(C(C)C)nc1-c1ccccc1 ZINC000057353274 567895063 /nfs/dbraw/zinc/89/50/63/567895063.db2.gz IKLDESHOAVHMHD-UHFFFAOYSA-N 0 3 286.423 3.806 10 0 CHAEHN CC(C)[C@@H](N)c1cc2cc(Br)ccc2o1 ZINC000020592758 570308577 /nfs/dbraw/zinc/30/85/77/570308577.db2.gz WBYCRIBURDQFHK-GFCCVEGCSA-N 0 3 268.154 3.851 10 0 CHAEHN CCCNCc1sc(CSCC)nc1C1CC1 ZINC000082436097 178013342 /nfs/dbraw/zinc/01/33/42/178013342.db2.gz XDSLGMGZOWOBFQ-UHFFFAOYSA-N 0 3 270.467 3.773 10 0 CHAEHN CNCc1sc(COc2ccccc2)nc1C(C)(C)C ZINC000082439339 178017842 /nfs/dbraw/zinc/01/78/42/178017842.db2.gz VAVLIIOWXZXTPD-UHFFFAOYSA-N 0 3 290.432 3.739 10 0 CHAEHN CCNCc1sc(CSCC)nc1C(C)(C)C ZINC000082439662 178018035 /nfs/dbraw/zinc/01/80/35/178018035.db2.gz LSBDYPUXWGORDQ-UHFFFAOYSA-N 0 3 272.483 3.803 10 0 CHAEHN CCCNCc1cnn(-c2cccc(C)c2)c1C(F)(F)F ZINC000082661608 178148583 /nfs/dbraw/zinc/14/85/83/178148583.db2.gz BZHUCYJDAPKLGV-UHFFFAOYSA-N 0 3 297.324 3.699 10 0 CHAEHN CCCN[C@H](c1ncccn1)[C@H]1CCCC[C@@H]1CC ZINC000104386425 185988138 /nfs/dbraw/zinc/98/81/38/185988138.db2.gz GPVDCDCOHZVKDQ-KKUMJFAQSA-N 0 3 261.413 3.734 10 0 CHAEHN C[C@H](N)c1c(F)cccc1N1CCc2ccccc21 ZINC000019872509 184535039 /nfs/dbraw/zinc/53/50/39/184535039.db2.gz NOQACJKCYPFYOX-NSHDSACASA-N 0 3 256.324 3.540 10 0 CHAEHN COc1ccc(C)cc1[C@@H](N)COC1CCC(C)CC1 ZINC000019398464 170783850 /nfs/dbraw/zinc/78/38/50/170783850.db2.gz KMSDUPDORULBJQ-PXCJXSSVSA-N 0 3 277.408 3.599 10 0 CHAEHN CCOc1ccc([C@@H](N)CO[C@H](C)CC(C)C)cc1 ZINC000019399654 170784398 /nfs/dbraw/zinc/78/43/98/170784398.db2.gz ITWPGXHMCNJEGK-CJNGLKHVSA-N 0 3 265.397 3.536 10 0 CHAEHN NC[C@@H](Oc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000019670979 170835310 /nfs/dbraw/zinc/83/53/10/170835310.db2.gz UGNXTNCCUAKICL-CQSZACIVSA-N 0 3 265.715 3.558 10 0 CHAEHN CCOc1ccccc1O[C@@H](CN)c1ccc(Cl)cc1 ZINC000019671043 170835447 /nfs/dbraw/zinc/83/54/47/170835447.db2.gz DLXBOTXRWMRGEB-INIZCTEOSA-N 0 3 291.778 3.818 10 0 CHAEHN CCOc1cc(CN[C@@H](C)c2ccc(F)cc2)ccc1O ZINC000020095336 170994591 /nfs/dbraw/zinc/99/45/91/170994591.db2.gz AJFIOBZEJJQMLK-LBPRGKRZSA-N 0 3 289.350 3.781 10 0 CHAEHN CC[C@H](N[C@@H](C)c1ccncc1)c1ccc(O)cc1 ZINC000020121314 171000529 /nfs/dbraw/zinc/00/05/29/171000529.db2.gz WHSJXTWNSOHFJP-LRDDRELGSA-N 0 3 256.349 3.589 10 0 CHAEHN COc1cc(CN[C@H](C)c2ccc(Cl)cc2)ccc1O ZINC000020121858 171001332 /nfs/dbraw/zinc/00/13/32/171001332.db2.gz ZJKBWXPGSGLREZ-LLVKDONJSA-N 0 3 291.778 3.905 10 0 CHAEHN Cc1cc(C)c([C@H](C)NCc2cccnc2)c(C)c1 ZINC000020141008 171027694 /nfs/dbraw/zinc/02/76/94/171027694.db2.gz AYJIJRLYIBKSHR-HNNXBMFYSA-N 0 3 254.377 3.858 10 0 CHAEHN CN(Cc1cccc(Cl)c1)[C@H](CN)c1cccs1 ZINC000020225323 171087338 /nfs/dbraw/zinc/08/73/38/171087338.db2.gz QXTLZKDYSJDCRD-CYBMUJFWSA-N 0 3 280.824 3.533 10 0 CHAEHN CN(Cc1ccc(Cl)cc1)[C@@H](CN)c1ccc(F)cc1 ZINC000020225664 171089037 /nfs/dbraw/zinc/08/90/37/171089037.db2.gz RHGKIRVYSRSPHJ-INIZCTEOSA-N 0 3 292.785 3.611 10 0 CHAEHN CN(Cc1ccccc1F)[C@@H](CN)c1ccccc1Cl ZINC000020225904 171089659 /nfs/dbraw/zinc/08/96/59/171089659.db2.gz WYZDFMJTRDUWMX-INIZCTEOSA-N 0 3 292.785 3.611 10 0 CHAEHN Cc1ccccc1CN(C)[C@@H](CN)c1ccccc1Cl ZINC000020225898 171090291 /nfs/dbraw/zinc/09/02/91/171090291.db2.gz SLVMWSWOZQQICD-KRWDZBQOSA-N 0 3 288.822 3.780 10 0 CHAEHN c1ccc(CCNCc2ccc3ccccc3n2)cc1 ZINC000020246258 171099475 /nfs/dbraw/zinc/09/94/75/171099475.db2.gz CLFUUAHVODFFDX-UHFFFAOYSA-N 0 3 262.356 3.567 10 0 CHAEHN Nc1cc(Cl)ccc1SCCN1CCCCC1 ZINC000020254163 171107503 /nfs/dbraw/zinc/10/75/03/171107503.db2.gz CFOVEJGFTKWKKP-UHFFFAOYSA-N 0 3 270.829 3.500 10 0 CHAEHN CC[C@@H](Oc1ccccc1F)[C@H](N)c1ccccc1 ZINC000020262548 171120026 /nfs/dbraw/zinc/12/00/26/171120026.db2.gz HWXUQCARQLSBTM-GDBMZVCRSA-N 0 3 259.324 3.683 10 0 CHAEHN Cc1nc(CSc2ccc(C)cc2)sc1CN ZINC000020273810 171131127 /nfs/dbraw/zinc/13/11/27/171131127.db2.gz CJJAMCGLPQKATN-UHFFFAOYSA-N 0 3 264.419 3.511 10 0 CHAEHN Cc1cc(CN[C@@H](C)c2ccc(F)cc2)cc(C)c1O ZINC000020305472 171141894 /nfs/dbraw/zinc/14/18/94/171141894.db2.gz MFULNNIDSNOPBA-ZDUSSCGKSA-N 0 3 273.351 3.999 10 0 CHAEHN Cc1ccc([C@H](N)c2ccc3c(c2)CCC3)cc1C ZINC000020384813 171175321 /nfs/dbraw/zinc/17/53/21/171175321.db2.gz IIDSNLJYUZUMQH-SFHVURJKSA-N 0 3 251.373 3.840 10 0 CHAEHN CCOc1ccccc1[C@@H](N)c1cc(C)sc1C ZINC000020431504 171196240 /nfs/dbraw/zinc/19/62/40/171196240.db2.gz CSRRFJILLMHOJV-OAHLLOKOSA-N 0 3 261.390 3.812 10 0 CHAEHN COc1ccc(F)cc1[C@@H](N)CCC1CCCC1 ZINC000020470504 171212170 /nfs/dbraw/zinc/21/21/70/171212170.db2.gz XIIYUCDSNHNZPN-AWEZNQCLSA-N 0 3 251.345 3.805 10 0 CHAEHN Cc1ccc(C)c([C@@H](N)c2cncc(Br)c2)c1 ZINC000020480954 171221530 /nfs/dbraw/zinc/22/15/30/171221530.db2.gz SOPKYQYXKLQCKL-AWEZNQCLSA-N 0 3 291.192 3.509 10 0 CHAEHN CC(C)(C)OC[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC000020510650 171230760 /nfs/dbraw/zinc/23/07/60/171230760.db2.gz CBLHDKIWSFMAJK-LLVKDONJSA-N 0 3 261.287 3.520 10 0 CHAEHN CCC(C)(C)OC[C@H](N)c1ccc(OC(C)C)cc1 ZINC000020511955 171231072 /nfs/dbraw/zinc/23/10/72/171231072.db2.gz LRTLRLQLNPEWTP-HNNXBMFYSA-N 0 3 265.397 3.679 10 0 CHAEHN CCC(C)(C)OC[C@@H](N)c1ccc(OC(C)C)cc1 ZINC000020511953 171231308 /nfs/dbraw/zinc/23/13/08/171231308.db2.gz LRTLRLQLNPEWTP-OAHLLOKOSA-N 0 3 265.397 3.679 10 0 CHAEHN Cc1ccc([C@H](N)CO[C@H]2CCC[C@@H](C)C2)c(C)c1 ZINC000020513153 171231558 /nfs/dbraw/zinc/23/15/58/171231558.db2.gz QGRAKSMEKOZJIX-ISTRZQFTSA-N 0 3 261.409 3.899 10 0 CHAEHN C[C@@H](N)c1c(F)cccc1O[C@@H]1CCC[C@H](C)C1 ZINC000020517088 171232664 /nfs/dbraw/zinc/23/26/64/171232664.db2.gz OBZFOIXHHPYZHD-QJPTWQEYSA-N 0 3 251.345 3.803 10 0 CHAEHN COc1ccc([C@H](N)c2ccc(F)cc2)cc1Cl ZINC000020521893 171234922 /nfs/dbraw/zinc/23/49/22/171234922.db2.gz BTHIQHULVSEJTQ-CQSZACIVSA-N 0 3 265.715 3.536 10 0 CHAEHN COc1ccc([C@H](N)c2cccc(F)c2)cc1Cl ZINC000020521865 171235026 /nfs/dbraw/zinc/23/50/26/171235026.db2.gz CNUGUJSTNMVRBL-CQSZACIVSA-N 0 3 265.715 3.536 10 0 CHAEHN CCOc1ccc([C@H](N)COc2ccc(C)c(C)c2)cc1 ZINC000020557335 171250196 /nfs/dbraw/zinc/25/01/96/171250196.db2.gz ROIUSGOESZROLE-GOSISDBHSA-N 0 3 285.387 3.781 10 0 CHAEHN CCOc1ccc(OC[C@@H](N)c2ccc(C)cc2C)cc1 ZINC000020562007 171252178 /nfs/dbraw/zinc/25/21/78/171252178.db2.gz RCOWMWKRHXSILL-GOSISDBHSA-N 0 3 285.387 3.781 10 0 CHAEHN Cc1cc(C)cc(OC[C@@H](N)c2ccc(C)c(C)c2)c1 ZINC000020565387 171253944 /nfs/dbraw/zinc/25/39/44/171253944.db2.gz NQMBVFZAIPSFER-GOSISDBHSA-N 0 3 269.388 3.999 10 0 CHAEHN COc1ccc(Br)cc1[C@H](N)CCC(C)C ZINC000020586588 171259339 /nfs/dbraw/zinc/25/93/39/171259339.db2.gz SKIUFGRGYBCAGV-GFCCVEGCSA-N 0 3 286.213 3.894 10 0 CHAEHN Cc1cc(F)ccc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000020595914 171264254 /nfs/dbraw/zinc/26/42/54/171264254.db2.gz JGADQEDISXQSOL-QGZVFWFLSA-N 0 3 284.378 3.821 10 0 CHAEHN Fc1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000020595867 171264661 /nfs/dbraw/zinc/26/46/61/171264661.db2.gz IPBPSIKVMHBMCH-QGZVFWFLSA-N 0 3 270.351 3.512 10 0 CHAEHN CCCc1ccc([C@@H](N)COc2cccc(F)c2)cc1 ZINC000021014608 171289310 /nfs/dbraw/zinc/28/93/10/171289310.db2.gz SYBAYGATCTZIRE-KRWDZBQOSA-N 0 3 273.351 3.857 10 0 CHAEHN Cc1cccc([C@@H](N)c2ccc3c(c2)CCCC3)c1 ZINC000021016739 171289842 /nfs/dbraw/zinc/28/98/42/171289842.db2.gz HYJZUNUGAMVDTQ-GOSISDBHSA-N 0 3 251.373 3.922 10 0 CHAEHN Cc1cc(C)c([C@H](N)COc2ccc(F)cc2F)c(C)c1 ZINC000021022773 171290797 /nfs/dbraw/zinc/29/07/97/171290797.db2.gz RJFFKOQXKMPDBA-OAHLLOKOSA-N 0 3 291.341 3.969 10 0 CHAEHN CCCc1ccc([C@H](N)COc2ccc(F)cc2)cc1 ZINC000021504436 171307255 /nfs/dbraw/zinc/30/72/55/171307255.db2.gz UGSPRYQHVJYYFQ-QGZVFWFLSA-N 0 3 273.351 3.857 10 0 CHAEHN Cc1ccc([C@H](N)COc2cc(C)ccc2C)c(C)c1 ZINC000022151941 171358936 /nfs/dbraw/zinc/35/89/36/171358936.db2.gz WBGCCKIGQGXMER-QGZVFWFLSA-N 0 3 269.388 3.999 10 0 CHAEHN CC[C@H](C)c1ccccc1Oc1ccc(CN)cn1 ZINC000022218522 171376646 /nfs/dbraw/zinc/37/66/46/171376646.db2.gz IAMWYKYULQCISW-LBPRGKRZSA-N 0 3 256.349 3.846 10 0 CHAEHN N[C@H]1c2ccccc2CCC[C@H]1Oc1ccccc1F ZINC000022566164 171391794 /nfs/dbraw/zinc/39/17/94/171391794.db2.gz BCSDTOLODYHELK-SJORKVTESA-N 0 3 271.335 3.609 10 0 CHAEHN CCN[C@@H](C)c1cc(F)ccc1N(CC)C(C)C ZINC000034666877 171855261 /nfs/dbraw/zinc/85/52/61/171855261.db2.gz JSXZTXZVBFTDHH-LBPRGKRZSA-N 0 3 252.377 3.731 10 0 CHAEHN CC(C)(C)NCc1csc(-c2ccc(F)cc2)n1 ZINC000035154780 172016982 /nfs/dbraw/zinc/01/69/82/172016982.db2.gz LQEGRVNKBUEQDR-UHFFFAOYSA-N 0 3 264.369 3.837 10 0 CHAEHN CCC(CC)NCC(=O)Nc1c(Cl)cccc1Cl ZINC000035159863 172017633 /nfs/dbraw/zinc/01/76/33/172017633.db2.gz YHMSDWUKPJCUAY-UHFFFAOYSA-N 0 3 289.206 3.710 10 0 CHAEHN CNCc1c(C)nn(Cc2c(Cl)cccc2Cl)c1C ZINC000035179703 172032319 /nfs/dbraw/zinc/03/23/19/172032319.db2.gz DVSSMVMJGQEPAG-UHFFFAOYSA-N 0 3 298.217 3.574 10 0 CHAEHN FC(F)(F)[C@@H]1CCCC[C@H]1NCc1cccs1 ZINC000035258154 172089476 /nfs/dbraw/zinc/08/94/76/172089476.db2.gz RGEDKZVYFYWEHM-GHMZBOCLSA-N 0 3 263.328 3.959 10 0 CHAEHN CCc1ccc([C@@H]2CNC[C@H](c3ccccc3)O2)cc1 ZINC000035285531 172103404 /nfs/dbraw/zinc/10/34/04/172103404.db2.gz DOJAXGUFIDYWLG-MSOLQXFVSA-N 0 3 267.372 3.651 10 0 CHAEHN Cc1cc([C@H](N)c2ccc(Br)cc2)c(C)o1 ZINC000035379583 172162483 /nfs/dbraw/zinc/16/24/83/172162483.db2.gz MCZSENRCCAQPCC-CYBMUJFWSA-N 0 3 280.165 3.707 10 0 CHAEHN C[C@@H](N)c1c(F)cccc1O[C@H]1CCCC[C@H]1C ZINC000035439006 172202415 /nfs/dbraw/zinc/20/24/15/172202415.db2.gz JJASBTSYNASIQW-WZRBSPASSA-N 0 3 251.345 3.803 10 0 CHAEHN CN[C@H](c1ccc(C)s1)c1ccc(OC(F)F)cc1 ZINC000035458776 172207872 /nfs/dbraw/zinc/20/78/72/172207872.db2.gz IFIDPBYXCZTWDW-ZDUSSCGKSA-N 0 3 283.343 3.967 10 0 CHAEHN CCOc1ccc([C@@H](NC)c2ccc(C)s2)cc1 ZINC000035459384 172208570 /nfs/dbraw/zinc/20/85/70/172208570.db2.gz LJCOTLVSGWZCRS-OAHLLOKOSA-N 0 3 261.390 3.764 10 0 CHAEHN CN[C@@H](c1ccc(F)cc1)c1ccc(OC)c(Cl)c1 ZINC000035462153 172210721 /nfs/dbraw/zinc/21/07/21/172210721.db2.gz VZBHCUUSBPZHLN-HNNXBMFYSA-N 0 3 279.742 3.797 10 0 CHAEHN CN[C@H](c1ccccc1)c1cc(Cl)ccc1OC ZINC000035465111 172212483 /nfs/dbraw/zinc/21/24/83/172212483.db2.gz FJHLVUWGQVJNNU-OAHLLOKOSA-N 0 3 261.752 3.657 10 0 CHAEHN CN[C@H](c1ccc(Cl)cc1)c1cccc(OC)c1 ZINC000035464492 172212648 /nfs/dbraw/zinc/21/26/48/172212648.db2.gz VNFXUNARIIDYIS-OAHLLOKOSA-N 0 3 261.752 3.657 10 0 CHAEHN CN[C@@H](c1cc2c(s1)CCC2)c1ccc(F)c(F)c1 ZINC000035494149 172228071 /nfs/dbraw/zinc/22/80/71/172228071.db2.gz MPEWBYLSSVVRHC-OAHLLOKOSA-N 0 3 279.355 3.824 10 0 CHAEHN CN[C@H](c1ccc(Cl)s1)c1ccc(F)c(F)c1 ZINC000035498177 172231169 /nfs/dbraw/zinc/23/11/69/172231169.db2.gz JITKZULKKMIPEU-LBPRGKRZSA-N 0 3 273.735 3.989 10 0 CHAEHN CCOc1ccc(Br)cc1[C@H](NC)[C@H]1C[C@@H]1C ZINC000035505976 172239058 /nfs/dbraw/zinc/23/90/58/172239058.db2.gz OYZVPEICUQOMOA-NURSFMCSSA-N 0 3 298.224 3.764 10 0 CHAEHN CN[C@@H](c1ccc(C)s1)c1ccc(OC)c(C)c1 ZINC000035506063 172239327 /nfs/dbraw/zinc/23/93/27/172239327.db2.gz APLRKWSQQFMWDC-OAHLLOKOSA-N 0 3 261.390 3.682 10 0 CHAEHN CN[C@H](c1sccc1C)c1ccc(OC)c(C)c1 ZINC000035506060 172239397 /nfs/dbraw/zinc/23/93/97/172239397.db2.gz SKYFZJWYXCGEOE-AWEZNQCLSA-N 0 3 261.390 3.682 10 0 CHAEHN CCN[C@H](c1ccccc1)c1cncc(Br)c1 ZINC000035540488 172247000 /nfs/dbraw/zinc/24/70/00/172247000.db2.gz FRBNUBCAAVXAQS-CQSZACIVSA-N 0 3 291.192 3.543 10 0 CHAEHN CCN[C@@H](c1cccs1)c1cc(F)cc(F)c1 ZINC000035545496 172253467 /nfs/dbraw/zinc/25/34/67/172253467.db2.gz WAWYARMNCANIND-CYBMUJFWSA-N 0 3 253.317 3.725 10 0 CHAEHN CCN[C@H](c1ccc(C)o1)c1ccc2c(c1)CCC2 ZINC000035551168 172258538 /nfs/dbraw/zinc/25/85/38/172258538.db2.gz ACZGTLLPQDANNR-KRWDZBQOSA-N 0 3 255.361 3.776 10 0 CHAEHN CCN[C@@H](Cc1ncc[nH]1)c1c(Cl)cccc1Cl ZINC000035570519 172266086 /nfs/dbraw/zinc/26/60/86/172266086.db2.gz VXDAAZWLNDXWOS-NSHDSACASA-N 0 3 284.190 3.610 10 0 CHAEHN CCN[C@H](CC(F)(F)F)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035571073 172267045 /nfs/dbraw/zinc/26/70/45/172267045.db2.gz RQRCSAJEONDPNG-BXKDBHETSA-N 0 3 273.298 3.613 10 0 CHAEHN CCNCc1cc(Cl)cc(Cl)c1OCCOCC ZINC000035662066 172340309 /nfs/dbraw/zinc/34/03/09/172340309.db2.gz PEWGKKVMWVIZLM-UHFFFAOYSA-N 0 3 292.206 3.518 10 0 CHAEHN CN(Cc1ccsc1)[C@@H](CN)c1ccc(Cl)cc1 ZINC000035719111 172373569 /nfs/dbraw/zinc/37/35/69/172373569.db2.gz RMZYEJDTDKKVQY-AWEZNQCLSA-N 0 3 280.824 3.533 10 0 CHAEHN Cc1cc(Oc2cc(CN)ccn2)cc(C)c1Cl ZINC000035719871 172374065 /nfs/dbraw/zinc/37/40/65/172374065.db2.gz KUZZJLDNEWHRJR-UHFFFAOYSA-N 0 3 262.740 3.603 10 0 CHAEHN CN[C@@H](C)c1c(F)cccc1N(C)Cc1ccsc1 ZINC000035719339 172374230 /nfs/dbraw/zinc/37/42/30/172374230.db2.gz ZVLKGOLQTLCQLO-NSHDSACASA-N 0 3 278.396 3.804 10 0 CHAEHN NCc1ccnc(Sc2cc(Cl)ccc2Cl)c1 ZINC000035720059 172375079 /nfs/dbraw/zinc/37/50/79/172375079.db2.gz OOCVFMISMYZWMW-UHFFFAOYSA-N 0 3 285.199 3.998 10 0 CHAEHN NCc1ccc(Sc2ccccn2)cc1C(F)(F)F ZINC000035720150 172375186 /nfs/dbraw/zinc/37/51/86/172375186.db2.gz INWACGNFDZRIBO-UHFFFAOYSA-N 0 3 284.306 3.710 10 0 CHAEHN COc1ccc(C[C@@H](C)N[C@H](C)c2ccco2)cc1 ZINC000035738445 172391964 /nfs/dbraw/zinc/39/19/64/172391964.db2.gz FDUJVSVJSRYWRR-CHWSQXEVSA-N 0 3 259.349 3.570 10 0 CHAEHN CCN[C@@H](c1ccc(OC)cc1Cl)[C@@H]1C[C@@H]1C ZINC000036768588 172686015 /nfs/dbraw/zinc/68/60/15/172686015.db2.gz CXXWJIODYMNDRA-BHYNMZESSA-N 0 3 253.773 3.655 10 0 CHAEHN Cc1nc([C@@H](C)NC2C3CC4CC(C3)CC2C4)cs1 ZINC000037067677 172930802 /nfs/dbraw/zinc/93/08/02/172930802.db2.gz BAMJWFGZRHRFNN-GMZQALILSA-N 0 3 276.449 3.927 10 0 CHAEHN Cc1csc2nc(C)c(CN[C@H](C)c3ccccc3)n12 ZINC000037185731 173017705 /nfs/dbraw/zinc/01/77/05/173017705.db2.gz AVCWHVCKXZWHSW-GFCCVEGCSA-N 0 3 285.416 3.863 10 0 CHAEHN C=COCCCN[C@H](CC(F)(F)F)c1ccccc1 ZINC000037239389 173056145 /nfs/dbraw/zinc/05/61/45/173056145.db2.gz VVLBHUPIVBBXOX-CYBMUJFWSA-N 0 3 273.298 3.820 10 0 CHAEHN CO[C@H]1CCCC[C@H]1N[C@@H](C)c1ccc(F)c(F)c1 ZINC000037277467 173087974 /nfs/dbraw/zinc/08/79/74/173087974.db2.gz VAQQSSHJOWLKIN-VQISRLSMSA-N 0 3 269.335 3.573 10 0 CHAEHN Cc1ccc(CN(C)[C@@H](CN)c2ccc(Cl)s2)cc1 ZINC000037328338 173128418 /nfs/dbraw/zinc/12/84/18/173128418.db2.gz CCGLGPDSIPCWLB-ZDUSSCGKSA-N 0 3 294.851 3.842 10 0 CHAEHN CCN([C@@H](C)C(=O)c1ccc(F)cc1)C1CCCC1 ZINC000037337419 173138715 /nfs/dbraw/zinc/13/87/15/173138715.db2.gz LIXPNAKKIYQMFO-LBPRGKRZSA-N 0 3 263.356 3.661 10 0 CHAEHN CCc1ccc(C(=O)[C@@H](C)N(C)[C@@H](C)C(C)C)cc1 ZINC000037339099 173140703 /nfs/dbraw/zinc/14/07/03/173140703.db2.gz GUVMUASEUJPHPB-UONOGXRCSA-N 0 3 261.409 3.797 10 0 CHAEHN CCCn1c2cccc(F)c2nc1[C@@](C)(N)CCC ZINC000037442726 173210959 /nfs/dbraw/zinc/21/09/59/173210959.db2.gz LHKGVPFVQRPHGE-HNNXBMFYSA-N 0 3 263.360 3.559 10 0 CHAEHN CN[C@@H](c1ccc(OC)cc1Br)C1CCCC1 ZINC000037445107 173211879 /nfs/dbraw/zinc/21/18/79/173211879.db2.gz GMSAFTDBVKGLNT-CQSZACIVSA-N 0 3 298.224 3.908 10 0 CHAEHN CCc1ccc([C@H](C)N2CCc3c(N)cccc3C2)cc1 ZINC000038032690 174028207 /nfs/dbraw/zinc/02/82/07/174028207.db2.gz FEGSDZAIHKEKQP-AWEZNQCLSA-N 0 3 280.415 3.951 10 0 CHAEHN Cc1cc(C)cc(COc2ccccc2[C@@H](C)N)c1 ZINC000038076655 174087756 /nfs/dbraw/zinc/08/77/56/174087756.db2.gz IUWOOGUYVIUHPC-CQSZACIVSA-N 0 3 255.361 3.902 10 0 CHAEHN C[C@@H]1CCC[C@H](C)N1[C@@H](CN)c1ccccc1Cl ZINC000039789078 174173551 /nfs/dbraw/zinc/17/35/51/174173551.db2.gz ZXDDCMLWQKXSQE-ZOWXZIJZSA-N 0 3 266.816 3.603 10 0 CHAEHN C[C@H]1CCC[C@@H](OC[C@H](N)c2cc(F)ccc2F)C1 ZINC000040177348 174202129 /nfs/dbraw/zinc/20/21/29/174202129.db2.gz HIGAIENNXPVYSK-NVBFEUDRSA-N 0 3 269.335 3.560 10 0 CHAEHN C[C@@H](O[C@H](CN)c1ccccc1F)c1ccccc1 ZINC000043047823 174957318 /nfs/dbraw/zinc/95/73/18/174957318.db2.gz TWVHGBGTYNJPBO-MLGOLLRUSA-N 0 3 259.324 3.603 10 0 CHAEHN CC[C@@H](C)Oc1ccc2c(c1)OC(C)(C)C[C@H]2NC ZINC000043460240 175051297 /nfs/dbraw/zinc/05/12/97/175051297.db2.gz GBNYNMCNORNGSX-BXUZGUMPSA-N 0 3 263.381 3.686 10 0 CHAEHN CCN[C@H]1CC(C)(C)Oc2cc(OCC(C)C)ccc21 ZINC000044421765 175174438 /nfs/dbraw/zinc/17/44/38/175174438.db2.gz KXHVBGQVBPQJJZ-HNNXBMFYSA-N 0 3 277.408 3.933 10 0 CHAEHN CCN[C@H](CC)C(=O)c1cc(C(C)(C)C)ccc1C ZINC000071587969 176215579 /nfs/dbraw/zinc/21/55/79/176215579.db2.gz IXZWJRMYIXJSAL-OAHLLOKOSA-N 0 3 261.409 3.863 10 0 CHAEHN c1ccc2c(c1)CCc1ccccc1C2N[C@H]1CCCOC1 ZINC000180491802 260103632 /nfs/dbraw/zinc/10/36/32/260103632.db2.gz DBFGMNVATROZDF-KRWDZBQOSA-N 0 3 293.410 3.643 10 0 CHAEHN CC(C)(C)[C@H](O)CNCc1csc(Cl)c1Cl ZINC000309336032 260154174 /nfs/dbraw/zinc/15/41/74/260154174.db2.gz JBVUSGJYBKAXKF-MRVPVSSYSA-N 0 3 282.236 3.552 10 0 CHAEHN CCCn1ccc(CN[C@H](C)c2ccc(OC)cc2)c1 ZINC000091016046 260264636 /nfs/dbraw/zinc/26/46/36/260264636.db2.gz OLYCERGRZVFGGX-CQSZACIVSA-N 0 3 272.392 3.758 10 0 CHAEHN CCCn1ccc(CN[C@@H](C)c2ccc(OC)c(F)c2)c1 ZINC000091011411 260264695 /nfs/dbraw/zinc/26/46/95/260264695.db2.gz IKSSTNZOZXZJGW-ZDUSSCGKSA-N 0 3 290.382 3.897 10 0 CHAEHN CCn1cccc1CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000091023681 260265197 /nfs/dbraw/zinc/26/51/97/260265197.db2.gz DCHYPYQMUHSBBZ-NSHDSACASA-N 0 3 264.319 3.637 10 0 CHAEHN C[C@@H](N[C@H]1CCO[C@H](C)C1)c1ccccc1Br ZINC000148877691 260966450 /nfs/dbraw/zinc/96/64/50/260966450.db2.gz GSRRFBROQFPEFW-UTUOFQBUSA-N 0 3 298.224 3.667 10 0 CHAEHN c1coc([C@@H](NCCc2ccncc2)c2ccccc2)c1 ZINC000052684674 261115442 /nfs/dbraw/zinc/11/54/42/261115442.db2.gz LCJWANZZHPXMQH-SFHVURJKSA-N 0 3 278.355 3.596 10 0 CHAEHN CCc1nccn1[C@@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC000106216137 261323766 /nfs/dbraw/zinc/32/37/66/261323766.db2.gz POGVUZJSCOOAIP-QGZVFWFLSA-N 0 3 283.419 3.591 10 0 CHAEHN Cc1c2ccccc2oc1[C@@H](C)N[C@@H](CO)CC(C)C ZINC000040775725 328020199 /nfs/dbraw/zinc/02/01/99/328020199.db2.gz PLCUGKCHISNODW-ZIAGYGMSSA-N 0 3 275.392 3.799 10 0 CHAEHN CCC[C@@H]1C[C@H]1NCc1sccc1Br ZINC000231379293 326996857 /nfs/dbraw/zinc/99/68/57/326996857.db2.gz KXZQTUDMDWIRTE-PSASIEDQSA-N 0 3 274.227 3.789 10 0 CHAEHN Cc1cnn([C@@H]2CCCN(C/C=C\c3ccc(F)cc3)C2)c1 ZINC000255838990 327019761 /nfs/dbraw/zinc/01/97/61/327019761.db2.gz ISDCCBNVROYUMQ-HCABJEFNSA-N 0 3 299.393 3.681 10 0 CHAEHN Cc1cnn(CCN[C@@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000113443131 328619747 /nfs/dbraw/zinc/61/97/47/328619747.db2.gz PWSYKNMLLQSFRL-NSHDSACASA-N 0 3 298.217 3.849 10 0 CHAEHN C[C@H](N[C@H]1C[C@H]1C)c1ccccc1Br ZINC000052271008 328642109 /nfs/dbraw/zinc/64/21/09/328642109.db2.gz GCPKALYVMJIRID-PTRXPTGYSA-N 0 3 254.171 3.508 10 0 CHAEHN CCc1csc([C@H]2CCCN(CCCOC(C)C)C2)n1 ZINC000171500975 329076665 /nfs/dbraw/zinc/07/66/65/329076665.db2.gz HRSIPDQRWNEDOC-AWEZNQCLSA-N 0 3 296.480 3.700 10 0 CHAEHN Cc1ccccc1NC(=O)CCN1CCC[C@H]1c1ccco1 ZINC000173653376 329150366 /nfs/dbraw/zinc/15/03/66/329150366.db2.gz RQACBDIXGXDDOM-INIZCTEOSA-N 0 3 298.386 3.754 10 0 CHAEHN C[C@@H](N[C@@H](c1cccnc1)c1ccc(F)c(F)c1)C1CC1 ZINC000177291699 329185738 /nfs/dbraw/zinc/18/57/38/329185738.db2.gz ZTULCAOQAMEEFK-PIGZYNQJSA-N 0 3 288.341 3.837 10 0 CHAEHN C[C@@H](NC1CCN(c2cccs2)CC1)c1ccoc1 ZINC000178430392 329199954 /nfs/dbraw/zinc/19/99/54/329199954.db2.gz WVBPBWHSOLQHEI-GFCCVEGCSA-N 0 3 276.405 3.661 10 0 CHAEHN Cc1csc(C2CCN(C[C@H]3CCC(C)(C)O3)CC2)n1 ZINC000184667080 329261758 /nfs/dbraw/zinc/26/17/58/329261758.db2.gz FZIRQJDYOAKVQN-CQSZACIVSA-N 0 3 294.464 3.589 10 0 CHAEHN Cc1nc([C@H](N[C@@H]2CCC23CCCC3)c2ccccc2)n[nH]1 ZINC000189108461 329377961 /nfs/dbraw/zinc/37/79/61/329377961.db2.gz PBOMRFGYESQBBH-HZPDHXFCSA-N 0 3 296.418 3.515 10 0 CHAEHN C[C@H](N[C@H]1Cc2ccccc2[C@@H]1O)c1csc(Cl)c1 ZINC000191292129 329411936 /nfs/dbraw/zinc/41/19/36/329411936.db2.gz FMMFOBRUCYPOTI-FGEZKYSXSA-N 0 3 293.819 3.710 10 0 CHAEHN CC[C@@H](NCC(=O)Nc1ccccc1F)c1ccccc1 ZINC000051628099 329653342 /nfs/dbraw/zinc/65/33/42/329653342.db2.gz MFDJKYOELHZGHB-OAHLLOKOSA-N 0 3 286.350 3.505 10 0 CHAEHN C[C@H](NC[C@H]1CCCCN1Cc1ccccc1)c1ccoc1 ZINC000379615834 330142057 /nfs/dbraw/zinc/14/20/57/330142057.db2.gz BGCGPCNCNJUMBA-QFBILLFUSA-N 0 3 298.430 3.985 10 0 CHAEHN CCN(Cc1nccn1C(C)C)[C@H]1CCCC[C@@H]1C ZINC000120106576 330384537 /nfs/dbraw/zinc/38/45/37/330384537.db2.gz NUGBIHUOHLCFRK-GJZGRUSLSA-N 0 3 263.429 3.865 10 0 CHAEHN C[C@H](N[C@@H]1C[C@@H]1C)c1ccc(F)cc1Br ZINC000120447501 330388010 /nfs/dbraw/zinc/38/80/10/330388010.db2.gz YRZMRBRGXKTYJK-YVZVNANGSA-N 0 3 272.161 3.647 10 0 CHAEHN CC[C@@H](N[C@H]1CCCc2cc(F)ccc21)c1cnn(C)c1 ZINC000090964353 330397315 /nfs/dbraw/zinc/39/73/15/330397315.db2.gz FFMCLYBBXXSCLA-SJORKVTESA-N 0 3 287.382 3.678 10 0 CHAEHN CC[C@@H](N[C@@H]1CCCc2cc(F)ccc21)c1cnn(C)c1 ZINC000090964351 330397413 /nfs/dbraw/zinc/39/74/13/330397413.db2.gz FFMCLYBBXXSCLA-IAGOWNOFSA-N 0 3 287.382 3.678 10 0 CHAEHN C[C@@H]1C[C@@H](CNCc2cccc(Cl)c2F)C[C@H](C)O1 ZINC000466408404 331395520 /nfs/dbraw/zinc/39/55/20/331395520.db2.gz FWUPQSZOHONGNL-ZSBIGDGJSA-N 0 3 285.790 3.772 10 0 CHAEHN CC(C)c1ccc([C@@H](C)N[C@H](C)C(=O)N(C)C(C)C)cc1 ZINC000177411540 333058484 /nfs/dbraw/zinc/05/84/84/333058484.db2.gz QVAUBUDCZOXRGG-HUUCEWRRSA-N 0 3 290.451 3.716 10 0 CHAEHN C[C@H](c1cccc(F)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178702086 333076992 /nfs/dbraw/zinc/07/69/92/333076992.db2.gz QCIQGPCLUAKKIO-FRFSOERESA-N 0 3 277.383 3.514 10 0 CHAEHN C[C@H](N[C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(Cl)s1 ZINC000089216105 333095737 /nfs/dbraw/zinc/09/57/37/333095737.db2.gz BKHMHNLXABAOHN-DCAQKATOSA-N 0 3 284.856 3.677 10 0 CHAEHN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1ccc(OC)cc1F ZINC000222166044 333176293 /nfs/dbraw/zinc/17/62/93/333176293.db2.gz FUFHMCPPVYBZQR-RWSFTLGLSA-N 0 3 251.345 3.674 10 0 CHAEHN CCc1cccc(CN2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000189215845 333186209 /nfs/dbraw/zinc/18/62/09/333186209.db2.gz HRDGFIGFYFRLJA-GOSISDBHSA-N 0 3 297.446 3.936 10 0 CHAEHN CCN1CCC[C@@H](NCc2cc(Cl)ccc2Cl)C1 ZINC000229189928 333301325 /nfs/dbraw/zinc/30/13/25/333301325.db2.gz UIDXIBCEQITNTQ-CYBMUJFWSA-N 0 3 287.234 3.567 10 0 CHAEHN CC[C@H](CCO)N[C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000126730202 333603558 /nfs/dbraw/zinc/60/35/58/333603558.db2.gz SXLOJLRVLCVYEV-DOMZBBRYSA-N 0 3 297.826 3.613 10 0 CHAEHN C[C@H](N[C@@H](C)[C@H]1CCCO1)c1cnc2ccsc2c1 ZINC000247033654 334274358 /nfs/dbraw/zinc/27/43/58/334274358.db2.gz VRJIBFZSOYLHRE-COPLHBTASA-N 0 3 276.405 3.514 10 0 CHAEHN CCOc1ccc(Cl)cc1[C@H](C)N[C@H]1CCCC[C@H]1O ZINC000247956319 334292353 /nfs/dbraw/zinc/29/23/53/334292353.db2.gz FQKMBNNBPNGGEU-TUKIKUTGSA-N 0 3 297.826 3.693 10 0 CHAEHN C[C@H](NCC1CC(O)C1)c1cc(F)c(Cl)cc1Cl ZINC000091415934 334378079 /nfs/dbraw/zinc/37/80/79/334378079.db2.gz KKSBLJNHCJPCIU-UEJVZZJDSA-N 0 3 292.181 3.554 10 0 CHAEHN Cc1ccccc1[C@H](N[C@@H](C)C[C@H](C)O)c1ccccc1 ZINC000252756137 334390246 /nfs/dbraw/zinc/39/02/46/334390246.db2.gz JNQYAMPFNFZQSK-TXPKVOOTSA-N 0 3 283.415 3.833 10 0 CHAEHN Cc1ccc(OC(F)F)c([C@H](C)N[C@H](C)[C@@H]2CCCO2)c1 ZINC000152851523 334519633 /nfs/dbraw/zinc/51/96/33/334519633.db2.gz DESFNHZHPOCXIO-SCRDCRAPSA-N 0 3 299.361 3.815 10 0 CHAEHN CCn1c(C)nnc1CN[C@H](CCC(C)C)C(C)(C)C ZINC000179908189 335531207 /nfs/dbraw/zinc/53/12/07/335531207.db2.gz GEWRIHFFQUFJSF-CQSZACIVSA-N 0 3 280.460 3.547 10 0 CHAEHN CC(C)CN(CC(C)C)c1nc2c(s1)[C@@H](N)CCC2 ZINC000054896491 519713889 /nfs/dbraw/zinc/71/38/89/519713889.db2.gz GBYLUTCXVPOSJZ-LBPRGKRZSA-N 0 3 281.469 3.598 10 0 CHAEHN CCCNCc1nccn1Cc1c(Cl)cccc1Cl ZINC000051005381 519967459 /nfs/dbraw/zinc/96/74/59/519967459.db2.gz XQQVKPGYQNLPBV-UHFFFAOYSA-N 0 3 298.217 3.738 10 0 CHAEHN CNCc1coc(COc2c(C)cc(Cl)cc2C)c1 ZINC000052651452 522147968 /nfs/dbraw/zinc/14/79/68/522147968.db2.gz HLPMEKNFELIEHG-UHFFFAOYSA-N 0 3 279.767 3.848 10 0 CHAEHN CC(C)CNCc1nc(CO[C@H](C)CC(C)C)cs1 ZINC000052603094 519748304 /nfs/dbraw/zinc/74/83/04/519748304.db2.gz MYEJFVDSWUZZOC-CYBMUJFWSA-N 0 3 284.469 3.840 10 0 CHAEHN CC(C)OCCCN[C@@H](c1ccco1)c1ccccc1 ZINC000020198202 519764598 /nfs/dbraw/zinc/76/45/98/519764598.db2.gz WBGVQXLSXASJQI-QGZVFWFLSA-N 0 3 273.376 3.774 10 0 CHAEHN CCCC1CCN(Cc2ccc(NCC)nc2)CC1 ZINC000050906000 519902269 /nfs/dbraw/zinc/90/22/69/519902269.db2.gz JHXZSFSIUGGSOK-UHFFFAOYSA-N 0 3 261.413 3.526 10 0 CHAEHN CCCN[C@@H](C)c1nc2ccc(F)cc2n1C1CC1 ZINC000062366581 519990369 /nfs/dbraw/zinc/99/03/69/519990369.db2.gz QOQOYZVVDARKLA-JTQLQIEISA-N 0 3 261.344 3.571 10 0 CHAEHN CCCN[C@H](C)c1nc2c(cccc2F)n1C1CC1 ZINC000062366400 520067493 /nfs/dbraw/zinc/06/74/93/520067493.db2.gz SJPMJYCPBVIQEL-SNVBAGLBSA-N 0 3 261.344 3.571 10 0 CHAEHN CCN[C@@H](c1ccc(Cl)s1)[C@@H]1CCCCO1 ZINC000050962173 520110625 /nfs/dbraw/zinc/11/06/25/520110625.db2.gz CGODTPNEVOSDBJ-JOYOIKCWSA-N 0 3 259.802 3.621 10 0 CHAEHN CCN[C@H](C)c1ccc(F)cc1OCC=C(C)C ZINC000062746941 520178330 /nfs/dbraw/zinc/17/83/30/520178330.db2.gz YNRKHIKZDXPQSA-GFCCVEGCSA-N 0 3 251.345 3.841 10 0 CHAEHN CCNc1c2cc(OC)ccc2nc2c1CCCC2 ZINC000050870858 520257411 /nfs/dbraw/zinc/25/74/11/520257411.db2.gz IFFPMECCJBRQHX-UHFFFAOYSA-N 0 3 256.349 3.554 10 0 CHAEHN CCCCN(c1nc2c(s1)[C@H](N)CCC2)[C@@H](C)CC ZINC000054898802 520554620 /nfs/dbraw/zinc/55/46/20/520554620.db2.gz CJDZUDDWIXIFTI-NWDGAFQWSA-N 0 3 281.469 3.884 10 0 CHAEHN CCC[C@H](N)c1nc2c(s1)CCc1sccc1-2 ZINC000061326038 521121249 /nfs/dbraw/zinc/12/12/49/521121249.db2.gz USYQXXMGXUOQIO-VIFPVBQESA-N 0 3 264.419 3.770 10 0 CHAEHN CCOc1ccc([C@@](C)(N)c2cccc(Cl)c2)cc1 ZINC000055195672 521250137 /nfs/dbraw/zinc/25/01/37/521250137.db2.gz GIJDBYFVMIMMAY-MRXNPFEDSA-N 0 3 275.779 3.961 10 0 CHAEHN CCCN(Cc1csc(CNCC(C)C)n1)C(C)C ZINC000052450094 521692868 /nfs/dbraw/zinc/69/28/68/521692868.db2.gz DHRRLAFDCDGNAO-UHFFFAOYSA-N 0 3 283.485 3.509 10 0 CHAEHN CCCN(c1nc2c(s1)[C@@H](N)CC(C)(C)C2)C(C)C ZINC000054895210 521697875 /nfs/dbraw/zinc/69/78/75/521697875.db2.gz JBRNGAZJRCZKKE-NSHDSACASA-N 0 3 281.469 3.740 10 0 CHAEHN CCc1ccccc1Oc1c(F)cc(CN)cc1F ZINC000062720796 521925380 /nfs/dbraw/zinc/92/53/80/521925380.db2.gz BAGNDOTYFIKUHF-UHFFFAOYSA-N 0 3 263.287 3.778 10 0 CHAEHN CN[C@@H](C)c1ccc(-c2ccc(F)c(F)c2F)o1 ZINC000052924193 522330098 /nfs/dbraw/zinc/33/00/98/522330098.db2.gz KRYQQOOGMARBKN-ZETCQYMHSA-N 0 3 255.239 3.644 10 0 CHAEHN CC[C@@H](N)c1ccc(-c2cccc(COC)c2)s1 ZINC000049510981 522654736 /nfs/dbraw/zinc/65/47/36/522654736.db2.gz WSUXMXISVWMQMU-CYBMUJFWSA-N 0 3 261.390 3.971 10 0 CHAEHN CC[C@H]1CCCC[C@@H]1OCc1cc(CN)c(C)o1 ZINC000052621676 523049580 /nfs/dbraw/zinc/04/95/80/523049580.db2.gz WZODNEOJBKSZDI-WFASDCNBSA-N 0 3 251.370 3.532 10 0 CHAEHN CC[C@@H]1CCCC[C@@H]1OCc1cc(CNC)c(C)o1 ZINC000052621565 523207179 /nfs/dbraw/zinc/20/71/79/523207179.db2.gz VFRUDQGCLSGSPV-CJNGLKHVSA-N 0 3 265.397 3.793 10 0 CHAEHN Cc1ccc(NC(=O)c2ccc3c(c2)CNC3)c(Cl)c1 ZINC000156650350 525241544 /nfs/dbraw/zinc/24/15/44/525241544.db2.gz ZKTZZLSSXZNOIZ-UHFFFAOYSA-N 0 3 286.762 3.504 10 0 CHAEHN COc1ccc([C@H](C)N[C@H](CN(C)C)c2ccccc2)cc1 ZINC000120422467 525335505 /nfs/dbraw/zinc/33/55/05/525335505.db2.gz OCSLBUJUMZWSSH-HNAYVOBHSA-N 0 3 298.430 3.649 10 0 CHAEHN C[C@H](N[C@@H](CN(C)C)c1ccccc1)c1ccsc1 ZINC000050338856 525539625 /nfs/dbraw/zinc/53/96/25/525539625.db2.gz PBWJYGLMXYIGRV-BBRMVZONSA-N 0 3 274.433 3.702 10 0 CHAEHN Cc1ccc([C@H](N)Cc2ccc(C(F)(F)F)cc2)o1 ZINC000050518355 525962469 /nfs/dbraw/zinc/96/24/69/525962469.db2.gz XBRPCARZCQOOLX-GFCCVEGCSA-N 0 3 269.266 3.849 10 0 CHAEHN C[C@H](c1nc(-c2cccs2)no1)[C@@H](N)c1ccccc1 ZINC000157948177 526172226 /nfs/dbraw/zinc/17/22/26/526172226.db2.gz DQJCONKCPQHIAK-GXFFZTMASA-N 0 3 285.372 3.602 10 0 CHAEHN c1ccc2c(c1)OC1(CCCC1)C[C@H]2NCC1=CCCOC1 ZINC000127959047 526509732 /nfs/dbraw/zinc/50/97/32/526509732.db2.gz RZZFHIVZQZFLFO-QGZVFWFLSA-N 0 3 299.414 3.759 10 0 CHAEHN Cc1nc(-c2ccc(C)c(F)c2)sc1CNC1CC1 ZINC000052330837 526566095 /nfs/dbraw/zinc/56/60/95/526566095.db2.gz DPLCYNPGIMFPHH-UHFFFAOYSA-N 0 3 276.380 3.818 10 0 CHAEHN c1csc(CCNC2=NC3(CS2)CCCCC3)c1 ZINC000053097713 526578130 /nfs/dbraw/zinc/57/81/30/526578130.db2.gz VZNNPOQRAYMTED-UHFFFAOYSA-N 0 3 280.462 3.686 10 0 CHAEHN Clc1ccc(-c2cc(CNC3CC3)[nH]n2)cc1Cl ZINC000050479268 526932929 /nfs/dbraw/zinc/93/29/29/526932929.db2.gz NIAZNSOWSVQNLI-UHFFFAOYSA-N 0 3 282.174 3.636 10 0 CHAEHN Clc1ccc(NC2CCN(c3ccncc3)CC2)cc1 ZINC000037374155 526955400 /nfs/dbraw/zinc/95/54/00/526955400.db2.gz MBDCWGPGEBQRCA-UHFFFAOYSA-N 0 3 287.794 3.816 10 0 CHAEHN NC[C@@H](Oc1cccc(F)c1F)c1ccccc1Cl ZINC000062612517 527206857 /nfs/dbraw/zinc/20/68/57/527206857.db2.gz NWZIZBPSXPIMSB-CYBMUJFWSA-N 0 3 283.705 3.697 10 0 CHAEHN NCc1ccc(Cl)cc1Oc1ccc(F)cc1F ZINC000062787106 527254939 /nfs/dbraw/zinc/25/49/39/527254939.db2.gz FUITYOVLKXTUPK-UHFFFAOYSA-N 0 3 269.678 3.869 10 0 CHAEHN N[C@H](c1ccc(C(F)(F)F)cc1)c1ccccc1F ZINC000062774589 527390998 /nfs/dbraw/zinc/39/09/98/527390998.db2.gz RVEFEJNBSMUUNT-CYBMUJFWSA-N 0 3 269.241 3.893 10 0 CHAEHN N[C@H](c1ccccc1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000054682603 527392290 /nfs/dbraw/zinc/39/22/90/527392290.db2.gz HSMFVAXDTPGGAJ-KGLIPLIRSA-N 0 3 282.170 3.727 10 0 CHAEHN FC(F)(F)CO[C@@H](CNC1CC1)c1ccccc1Cl ZINC000050502186 527671571 /nfs/dbraw/zinc/67/15/71/527671571.db2.gz RUBQIUGQJRHKET-LBPRGKRZSA-N 0 3 293.716 3.712 10 0 CHAEHN CC(C)(C)[C@H]1OCC[C@@H]1CNCc1csc(C2CC2)n1 ZINC000328643356 567121014 /nfs/dbraw/zinc/12/10/14/567121014.db2.gz YUVPRUVHHLFIIZ-OCCSQVGLSA-N 0 3 294.464 3.561 10 0 CHAEHN CCOc1c(CN[C@H](C)CC)cc(Cl)cc1OC ZINC000010474897 567861736 /nfs/dbraw/zinc/86/17/36/567861736.db2.gz DJMLUCJDZZVQKC-SNVBAGLBSA-N 0 3 271.788 3.635 10 0 CHAEHN CC(C)n1cc(CNCc2cccnc2)c2ccccc21 ZINC000057353251 567894964 /nfs/dbraw/zinc/89/49/64/567894964.db2.gz QTSZQTVAOJWSBU-UHFFFAOYSA-N 0 3 279.387 3.907 10 0 CHAEHN CCCc1nc(C(C)(C)C)sc1CNC1CC1 ZINC000082428042 178003697 /nfs/dbraw/zinc/00/36/97/178003697.db2.gz FUGSNXMVMQQHMP-UHFFFAOYSA-N 0 3 252.427 3.645 10 0 CHAEHN CC(C)c1nc(-c2ccco2)sc1CNC1CC1 ZINC000082431387 178009109 /nfs/dbraw/zinc/00/91/09/178009109.db2.gz GQILSBCZGLVAPI-UHFFFAOYSA-N 0 3 262.378 3.779 10 0 CHAEHN CSCc1nc(C(C)C)c(CNC(C)C)s1 ZINC000082432666 178010686 /nfs/dbraw/zinc/01/06/86/178010686.db2.gz MVDLRMUNLHRHOQ-UHFFFAOYSA-N 0 3 258.456 3.628 10 0 CHAEHN CC(C)c1nc(N2CCC[C@H](C)C2)sc1CNC1CC1 ZINC000082434829 178012150 /nfs/dbraw/zinc/01/21/50/178012150.db2.gz LHANSJLQNZQMOO-LBPRGKRZSA-N 0 3 293.480 3.755 10 0 CHAEHN CC(C)(C)c1nc(-c2ccccn2)sc1CNC1CC1 ZINC000082439181 178017249 /nfs/dbraw/zinc/01/72/49/178017249.db2.gz BRUPLLRVOLOBIM-UHFFFAOYSA-N 0 3 287.432 3.755 10 0 CHAEHN CC(C)(C)c1nc(-c2ccco2)sc1CNC1CC1 ZINC000082440578 178019150 /nfs/dbraw/zinc/01/91/50/178019150.db2.gz QTNISFVYQWPOAP-UHFFFAOYSA-N 0 3 276.405 3.953 10 0 CHAEHN CCN[C@H]1CC2(CCCCC2)Oc2cc(OC)ccc21 ZINC000082509156 178075470 /nfs/dbraw/zinc/07/54/70/178075470.db2.gz XIPOYAXBDGSEBC-HNNXBMFYSA-N 0 3 275.392 3.831 10 0 CHAEHN CCNCc1cnn(-c2cc(C)cc(C)c2)c1C(F)(F)F ZINC000082661866 178149544 /nfs/dbraw/zinc/14/95/44/178149544.db2.gz TZYZNZOUGBDXDS-UHFFFAOYSA-N 0 3 297.324 3.617 10 0 CHAEHN CCNCc1cnn(-c2ccc(C)cc2C)c1C(F)(F)F ZINC000082661779 178149615 /nfs/dbraw/zinc/14/96/15/178149615.db2.gz NDMHHXSWDXLVHF-UHFFFAOYSA-N 0 3 297.324 3.617 10 0 CHAEHN CC(C)C[C@@H](N)c1cc(Br)ccc1F ZINC000083256138 178371471 /nfs/dbraw/zinc/37/14/71/178371471.db2.gz PWYKGTUPOGADDA-LLVKDONJSA-N 0 3 260.150 3.634 10 0 CHAEHN CC(C)CCCOc1cc(CN)nc2ccccc21 ZINC000103916444 185860303 /nfs/dbraw/zinc/86/03/03/185860303.db2.gz WEHYAENKONIGOO-UHFFFAOYSA-N 0 3 258.365 3.509 10 0 CHAEHN Cc1cccc(O[C@@H]2CCCc3ccccc3[C@@H]2N)c1 ZINC000020549053 184535802 /nfs/dbraw/zinc/53/58/02/184535802.db2.gz YESUYZHTAQGKJY-MSOLQXFVSA-N 0 3 267.372 3.779 10 0 CHAEHN Cn1cc([C@@H]2CCCN2Cc2ccc3ccccc3c2)cn1 ZINC000171413467 335065294 /nfs/dbraw/zinc/06/52/94/335065294.db2.gz BSKKVZRJQGMWQP-IBGZPJMESA-N 0 3 291.398 3.910 10 0 CHAEHN O=C(CCN1CCCCC1)c1cccc(Br)c1 ZINC000005670997 170126511 /nfs/dbraw/zinc/12/65/11/170126511.db2.gz UBKAUHRYYWERDL-UHFFFAOYSA-N 0 3 296.208 3.508 10 0 CHAEHN C[C@H](N[C@H](CN(C)C)c1ccccc1)c1cccs1 ZINC000020129351 171016910 /nfs/dbraw/zinc/01/69/10/171016910.db2.gz CTMBNTJVHVHCCU-DZGCQCFKSA-N 0 3 274.433 3.702 10 0 CHAEHN C[C@H](N[C@@H](CN(C)C)c1ccccc1)c1ccccc1F ZINC000020129353 171016994 /nfs/dbraw/zinc/01/69/94/171016994.db2.gz CAMYMHRMZJKSBW-KSSFIOAISA-N 0 3 286.394 3.779 10 0 CHAEHN Cc1ccc([C@@H](C)N[C@H](CN(C)C)c2ccccc2)o1 ZINC000020129380 171017308 /nfs/dbraw/zinc/01/73/08/171017308.db2.gz QLXXLFYRPMZDCK-GDBMZVCRSA-N 0 3 272.392 3.542 10 0 CHAEHN C[C@H](N[C@H](CN(C)C)c1ccccc1)c1cccc(F)c1 ZINC000020129415 171018297 /nfs/dbraw/zinc/01/82/97/171018297.db2.gz PJAKJJLRVNLEOH-KBXCAEBGSA-N 0 3 286.394 3.779 10 0 CHAEHN Cc1cc(C)c([C@@H](C)NCc2ccncc2)cc1C ZINC000020140426 171027175 /nfs/dbraw/zinc/02/71/75/171027175.db2.gz SVGOQGPTDDOILX-OAHLLOKOSA-N 0 3 254.377 3.858 10 0 CHAEHN Cc1cccc([C@@H](CN)N(C)Cc2cccc(Cl)c2)c1 ZINC000020225499 171088937 /nfs/dbraw/zinc/08/89/37/171088937.db2.gz LRLQGHUMVWEEGC-QGZVFWFLSA-N 0 3 288.822 3.780 10 0 CHAEHN CN(Cc1ccc(F)cc1)[C@@H](CN)c1cccc(Cl)c1 ZINC000020225958 171090070 /nfs/dbraw/zinc/09/00/70/171090070.db2.gz FAFXISLCBHJIOT-INIZCTEOSA-N 0 3 292.785 3.611 10 0 CHAEHN c1csc(CCNCc2ccc3ccccc3n2)c1 ZINC000020246296 171099584 /nfs/dbraw/zinc/09/95/84/171099584.db2.gz GIKVWEARLHMINT-UHFFFAOYSA-N 0 3 268.385 3.629 10 0 CHAEHN N[C@@H](Cc1ccccn1)c1cc(Cl)ccc1Cl ZINC000020429055 171194183 /nfs/dbraw/zinc/19/41/83/171194183.db2.gz PMWGNZVFAXRYBH-ZDUSSCGKSA-N 0 3 267.159 3.631 10 0 CHAEHN Cc1cccc([C@@H](N)c2ccc(OC(C)C)cc2)c1 ZINC000020434826 171200608 /nfs/dbraw/zinc/20/06/08/171200608.db2.gz BFDLPAGKVLIFHH-KRWDZBQOSA-N 0 3 255.361 3.830 10 0 CHAEHN COc1ccccc1Oc1cccc(Cl)c1CN ZINC000020470303 171212468 /nfs/dbraw/zinc/21/24/68/171212468.db2.gz DUVKENDVIJNGKI-UHFFFAOYSA-N 0 3 263.724 3.600 10 0 CHAEHN COc1ccc(OC[C@@H](N)c2c(C)cc(C)cc2C)cc1 ZINC000020554820 171249626 /nfs/dbraw/zinc/24/96/26/171249626.db2.gz RBGZGTNTRNWCHH-QGZVFWFLSA-N 0 3 285.387 3.699 10 0 CHAEHN CCCOc1ccccc1CNCCc1ccccc1OC ZINC000020924623 171279797 /nfs/dbraw/zinc/27/97/97/171279797.db2.gz QDNKKGIBKLPNDY-UHFFFAOYSA-N 0 3 299.414 3.816 10 0 CHAEHN CCc1ccc(O[C@H](C)[C@H](N)c2ccccc2)cc1 ZINC000021013942 171288931 /nfs/dbraw/zinc/28/89/31/171288931.db2.gz MKZDRTFSBOXCQD-DYVFJYSZSA-N 0 3 255.361 3.716 10 0 CHAEHN Cc1ccc([C@H](N)COc2cc(C)cc(C)c2)c(C)c1 ZINC000021047163 171294546 /nfs/dbraw/zinc/29/45/46/171294546.db2.gz TXAOZCJXLGXGBO-GOSISDBHSA-N 0 3 269.388 3.999 10 0 CHAEHN Cc1ccc(O[C@H](C)[C@H](N)c2ccccc2)cc1C ZINC000021507885 171308676 /nfs/dbraw/zinc/30/86/76/171308676.db2.gz ZYGLRYVDYMBSDX-PBHICJAKSA-N 0 3 255.361 3.771 10 0 CHAEHN CCc1cccc(OC[C@@H](N)c2ccc(C)cc2)c1 ZINC000021508561 171308865 /nfs/dbraw/zinc/30/88/65/171308865.db2.gz HSNZPPYYGSFEDK-QGZVFWFLSA-N 0 3 255.361 3.636 10 0 CHAEHN COc1ccc(O[C@H](C(C)C)[C@H](N)c2ccccc2)cc1 ZINC000021515768 171312485 /nfs/dbraw/zinc/31/24/85/171312485.db2.gz LNTAFYSXDCUKCR-QZTJIDSGSA-N 0 3 285.387 3.799 10 0 CHAEHN CC[C@H](Oc1cccc(C)c1)[C@H](N)c1ccccc1 ZINC000021518658 171315070 /nfs/dbraw/zinc/31/50/70/171315070.db2.gz NFTGADABOBMIAZ-DLBZAZTESA-N 0 3 255.361 3.852 10 0 CHAEHN CC(C)c1ccc(O[C@@H]2Cc3ccccc3[C@@H]2N)cc1 ZINC000021792062 171324377 /nfs/dbraw/zinc/32/43/77/171324377.db2.gz FIUDKLHLSBFSBL-MSOLQXFVSA-N 0 3 267.372 3.814 10 0 CHAEHN CC(C)[C@@H](Oc1ccccc1F)[C@@H](N)c1ccccc1 ZINC000021814134 171331258 /nfs/dbraw/zinc/33/12/58/171331258.db2.gz BXYMXBDTTRMTDG-DLBZAZTESA-N 0 3 273.351 3.929 10 0 CHAEHN CC(C)c1cccc(O[C@@H]2Cc3ccccc3[C@H]2N)c1 ZINC000022151013 171358452 /nfs/dbraw/zinc/35/84/52/171358452.db2.gz JWEIKAWHBVPCMV-QZTJIDSGSA-N 0 3 267.372 3.814 10 0 CHAEHN CC(C)(C)c1ccccc1Oc1cc(CN)ccn1 ZINC000022216222 171376050 /nfs/dbraw/zinc/37/60/50/171376050.db2.gz IDUWXRWGVPEEDR-UHFFFAOYSA-N 0 3 256.349 3.630 10 0 CHAEHN CC[C@@H](C)c1ccccc1Oc1ncccc1CN ZINC000022222257 171378919 /nfs/dbraw/zinc/37/89/19/171378919.db2.gz FFLCBEJDQJGLIE-GFCCVEGCSA-N 0 3 256.349 3.846 10 0 CHAEHN N[C@@H](COC1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000022565785 171391758 /nfs/dbraw/zinc/39/17/58/171391758.db2.gz BQKFVNCIYMWSRO-ZDUSSCGKSA-N 0 3 273.298 3.664 10 0 CHAEHN COc1ccccc1OC[C@H](N)c1c(C)cc(C)cc1C ZINC000022567166 171392668 /nfs/dbraw/zinc/39/26/68/171392668.db2.gz RCPJDBUWPYGCLL-HNNXBMFYSA-N 0 3 285.387 3.699 10 0 CHAEHN CCNCc1cc(Br)ccc1OCC(C)C ZINC000034659428 171851728 /nfs/dbraw/zinc/85/17/28/171851728.db2.gz XZGIZIGEIIJJFN-UHFFFAOYSA-N 0 3 286.213 3.593 10 0 CHAEHN C[C@@H](N)c1c(F)cccc1O[C@@H]1CCCC[C@H]1C ZINC000035439008 172202475 /nfs/dbraw/zinc/20/24/75/172202475.db2.gz JJASBTSYNASIQW-NQBHXWOUSA-N 0 3 251.345 3.803 10 0 CHAEHN CN[C@@H](c1ccc(C)s1)c1cc2c(s1)CCC2 ZINC000035458689 172207595 /nfs/dbraw/zinc/20/75/95/172207595.db2.gz VJTPVNARISQNSE-AWEZNQCLSA-N 0 3 263.431 3.916 10 0 CHAEHN CCc1ccc([C@H](NC)c2ccc(C)s2)s1 ZINC000035460530 172208989 /nfs/dbraw/zinc/20/89/89/172208989.db2.gz SKYGCFAXNQTFMC-CYBMUJFWSA-N 0 3 251.420 3.989 10 0 CHAEHN CN[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000035462961 172210687 /nfs/dbraw/zinc/21/06/87/172210687.db2.gz MJVWFBYMOKWQDN-SECBINFHSA-N 0 3 282.103 3.662 10 0 CHAEHN CN[C@H](c1ccc(OC)cc1)c1ccc(C)cc1C ZINC000035465917 172213123 /nfs/dbraw/zinc/21/31/23/172213123.db2.gz XFQSEIAWVXIFJV-QGZVFWFLSA-N 0 3 255.361 3.621 10 0 CHAEHN CN[C@@H](c1cccc(OC)c1)c1ccc(C)cc1C ZINC000035468218 172217113 /nfs/dbraw/zinc/21/71/13/172217113.db2.gz NHNLVQQLVFWSHM-KRWDZBQOSA-N 0 3 255.361 3.621 10 0 CHAEHN CN[C@H](c1cc(F)cc(F)c1)c1cc(C)ccc1C ZINC000035489783 172224677 /nfs/dbraw/zinc/22/46/77/172224677.db2.gz RZPPFPIPRQBMAU-MRXNPFEDSA-N 0 3 261.315 3.890 10 0 CHAEHN CN[C@@H](c1cccc(Cl)c1)c1ccc(F)c(F)c1 ZINC000035494699 172228074 /nfs/dbraw/zinc/22/80/74/172228074.db2.gz ICIOIIFNLFLSIC-AWEZNQCLSA-N 0 3 267.706 3.927 10 0 CHAEHN CN[C@@H](c1cc(C)sc1C)c1ccc(OC)cc1 ZINC000035497774 172231099 /nfs/dbraw/zinc/23/10/99/172231099.db2.gz XVZKSKQACDSAAK-OAHLLOKOSA-N 0 3 261.390 3.682 10 0 CHAEHN CN[C@H](CC(F)(F)F)c1ccc(OC(C)C)cc1 ZINC000035498903 172232256 /nfs/dbraw/zinc/23/22/56/172232256.db2.gz HKQLUOLPRRAJEV-GFCCVEGCSA-N 0 3 261.287 3.687 10 0 CHAEHN CN[C@H](c1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000035501514 172235612 /nfs/dbraw/zinc/23/56/12/172235612.db2.gz JSXYZIDSYYSGCO-ZDUSSCGKSA-N 0 3 267.159 3.697 10 0 CHAEHN CCCC[C@H](NC)c1cc2c(cc1Cl)OCCO2 ZINC000035501330 172235645 /nfs/dbraw/zinc/23/56/45/172235645.db2.gz UQBIXNUZCMVBFS-LBPRGKRZSA-N 0 3 269.772 3.562 10 0 CHAEHN CN[C@H](c1ccc(C)s1)c1ccc(OC)c(F)c1 ZINC000035507456 172239802 /nfs/dbraw/zinc/23/98/02/172239802.db2.gz TWWBTKBSLXLEEX-AWEZNQCLSA-N 0 3 265.353 3.513 10 0 CHAEHN CCN[C@@H](c1occc1C)c1ccc(OC)cc1C ZINC000035542981 172251161 /nfs/dbraw/zinc/25/11/61/172251161.db2.gz KZRCVAUMUJATJE-OAHLLOKOSA-N 0 3 259.349 3.604 10 0 CHAEHN CCN[C@@H](c1c(F)cc(F)cc1F)C1CCCC1 ZINC000035544859 172253135 /nfs/dbraw/zinc/25/31/35/172253135.db2.gz WTWRNQSDMZFCRV-CQSZACIVSA-N 0 3 257.299 3.945 10 0 CHAEHN CCN[C@H](c1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000035549033 172256711 /nfs/dbraw/zinc/25/67/11/172256711.db2.gz WLZBEUSDXCZLLS-OAHLLOKOSA-N 0 3 265.278 3.803 10 0 CHAEHN CCN[C@H](c1ccoc1C)c1ccc2c(c1)CCC2 ZINC000035551233 172258485 /nfs/dbraw/zinc/25/84/85/172258485.db2.gz INCNWZVXIUPHGU-KRWDZBQOSA-N 0 3 255.361 3.776 10 0 CHAEHN CCN[C@H](CC(F)(F)F)c1cc(C)sc1C ZINC000035552668 172259759 /nfs/dbraw/zinc/25/97/59/172259759.db2.gz BRDGHXAKNHEHNM-SNVBAGLBSA-N 0 3 251.317 3.968 10 0 CHAEHN CCN[C@H](c1cc2c(cc1Cl)OCCO2)[C@H](C)CC ZINC000035557782 172263904 /nfs/dbraw/zinc/26/39/04/172263904.db2.gz HZZUXRRZUMPHRY-BMIGLBTASA-N 0 3 283.799 3.808 10 0 CHAEHN CCCN[C@@H](c1ccoc1C)c1ccc(OC)cc1 ZINC000035576280 172272502 /nfs/dbraw/zinc/27/25/02/172272502.db2.gz WOGNBXJHVDDNEU-MRXNPFEDSA-N 0 3 259.349 3.686 10 0 CHAEHN CCCN[C@H]1CCOc2c(Cl)ccc(Cl)c21 ZINC000035654246 172330317 /nfs/dbraw/zinc/33/03/17/172330317.db2.gz QEUDNUKIWHIIGJ-JTQLQIEISA-N 0 3 260.164 3.817 10 0 CHAEHN Clc1cc(Cl)c2c(c1)[C@H](NC1CC1)CCO2 ZINC000035654185 172330440 /nfs/dbraw/zinc/33/04/40/172330440.db2.gz LCXPWNOUWDRTNU-LLVKDONJSA-N 0 3 258.148 3.569 10 0 CHAEHN Cc1cc(Br)c2c(c1)[C@@H](NC(C)C)CCO2 ZINC000035653804 172330498 /nfs/dbraw/zinc/33/04/98/172330498.db2.gz NWXDGXKCBMRMBL-LBPRGKRZSA-N 0 3 284.197 3.579 10 0 CHAEHN CNCc1c(Cl)cccc1N(C)Cc1cccs1 ZINC000035718057 172372170 /nfs/dbraw/zinc/37/21/70/172372170.db2.gz YPUINAAYUPSCSI-UHFFFAOYSA-N 0 3 280.824 3.757 10 0 CHAEHN NCc1cccnc1Oc1cc(Cl)ccc1Cl ZINC000035719796 172374097 /nfs/dbraw/zinc/37/40/97/172374097.db2.gz YOSLHJLEBZLGEB-UHFFFAOYSA-N 0 3 269.131 3.639 10 0 CHAEHN CC(C)[C@@H](N)c1nc(-c2cc(F)ccc2F)cs1 ZINC000036174404 172494329 /nfs/dbraw/zinc/49/43/29/172494329.db2.gz MEFNPMVSXDKQEF-GFCCVEGCSA-N 0 3 268.332 3.744 10 0 CHAEHN CC[C@@H](C)CN(C)[C@@H](CN)c1ccc(Cl)cc1Cl ZINC000037172648 173006944 /nfs/dbraw/zinc/00/69/44/173006944.db2.gz ALSUTLJUNVAUTH-YGRLFVJLSA-N 0 3 289.250 3.971 10 0 CHAEHN CC[C@H](C)CN(C)c1ccc(F)cc1[C@@H](C)NC ZINC000037173497 173007603 /nfs/dbraw/zinc/00/76/03/173007603.db2.gz PWOFUIIDIWXHTB-NWDGAFQWSA-N 0 3 252.377 3.588 10 0 CHAEHN CCCN(CC)c1ccc(F)cc1CNC(C)C ZINC000037236632 173054299 /nfs/dbraw/zinc/05/42/99/173054299.db2.gz PYLYMGIEOSRSFI-UHFFFAOYSA-N 0 3 252.377 3.560 10 0 CHAEHN C=COCCCN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000037239387 173055917 /nfs/dbraw/zinc/05/59/17/173055917.db2.gz VVLBHUPIVBBXOX-ZDUSSCGKSA-N 0 3 273.298 3.820 10 0 CHAEHN CCc1ccc([C@@H](N)c2cccc(OC(F)F)c2)s1 ZINC000037308834 173111688 /nfs/dbraw/zinc/11/16/88/173111688.db2.gz HNDMYIIHRZOGMG-ZDUSSCGKSA-N 0 3 283.343 3.960 10 0 CHAEHN CCN(CC(C)C)[C@@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000037336396 173137849 /nfs/dbraw/zinc/13/78/49/173137849.db2.gz UKCOHARWPKPMGA-HNNXBMFYSA-N 0 3 261.409 3.853 10 0 CHAEHN CCCC[C@@H](N)c1nc2cc(C)ccc2n1CCC ZINC000037438270 173208811 /nfs/dbraw/zinc/20/88/11/173208811.db2.gz KVQLDKQKARHYJV-CYBMUJFWSA-N 0 3 259.397 3.945 10 0 CHAEHN CC[C@H](C)[C@H](N)c1nc2cc(F)ccc2n1C(C)C ZINC000037439741 173209256 /nfs/dbraw/zinc/20/92/56/173209256.db2.gz NZAYMQPRHSHBNT-HZMBPMFUSA-N 0 3 263.360 3.802 10 0 CHAEHN CC[C@H](C)[C@@H](N)c1nc2cc(C)ccc2n1C(C)C ZINC000037438575 173209728 /nfs/dbraw/zinc/20/97/28/173209728.db2.gz WZJJLDDGLAPIGJ-SWLSCSKDSA-N 0 3 259.397 3.972 10 0 CHAEHN CCOc1cccc([C@@H](NC)c2ccc(C)cc2)c1 ZINC000037533379 173253742 /nfs/dbraw/zinc/25/37/42/173253742.db2.gz CLCUROHVZNIBPF-KRWDZBQOSA-N 0 3 255.361 3.703 10 0 CHAEHN CC(C)NCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000037600238 173553610 /nfs/dbraw/zinc/55/36/10/173553610.db2.gz RQVPCSDRTXDRKR-UHFFFAOYSA-N 0 3 274.311 3.813 10 0 CHAEHN CCn1c2ccc(C)cc2nc1[C@@H](N)C1CCCCC1 ZINC000038036785 174035814 /nfs/dbraw/zinc/03/58/14/174035814.db2.gz MDBGDZLUPZGBSP-INIZCTEOSA-N 0 3 271.408 3.945 10 0 CHAEHN Fc1cccc(-c2ccc(CNC3CC3)c(F)c2)c1 ZINC000038071633 174082602 /nfs/dbraw/zinc/08/26/02/174082602.db2.gz QQLWYJIABLMJKB-UHFFFAOYSA-N 0 3 259.299 3.884 10 0 CHAEHN C[C@@H](NCC[C@@H]1CCCO1)c1ccccc1Br ZINC000038095471 174109623 /nfs/dbraw/zinc/10/96/23/174109623.db2.gz AZHCDGGQGUUMTA-NEPJUHHUSA-N 0 3 298.224 3.669 10 0 CHAEHN C[C@@H]1CCC[C@H](C)N1[C@H](CN)c1c(F)cccc1Cl ZINC000039789097 174173754 /nfs/dbraw/zinc/17/37/54/174173754.db2.gz XWWNILIGXDYPIM-UHIISALHSA-N 0 3 284.806 3.742 10 0 CHAEHN CC(C)[C@@H](N)c1nc2ccccc2n1Cc1ccccc1 ZINC000040163888 174196915 /nfs/dbraw/zinc/19/69/15/174196915.db2.gz XTPICPNVOPNADJ-QGZVFWFLSA-N 0 3 279.387 3.740 10 0 CHAEHN C[C@H](O[C@@H]1CCC[C@@H](C)C1)[C@H](N)c1ccc(F)cc1 ZINC000040177318 174202164 /nfs/dbraw/zinc/20/21/64/174202164.db2.gz FVLGVLKCSOIUGD-KOZAUXTDSA-N 0 3 265.372 3.809 10 0 CHAEHN CC[C@H](C)n1c2cc(Cl)ccc2nc1[C@H](C)N ZINC000040408263 174254296 /nfs/dbraw/zinc/25/42/96/174254296.db2.gz MWADDADBYROWOS-IUCAKERBSA-N 0 3 251.761 3.680 10 0 CHAEHN CCOc1ccc(-c2nc(CNC(C)C)cs2)cc1 ZINC000040414291 174255121 /nfs/dbraw/zinc/25/51/21/174255121.db2.gz FSFDSNJTVVELMR-UHFFFAOYSA-N 0 3 276.405 3.707 10 0 CHAEHN CCCNCc1cc(Cl)cc(OC)c1OCCC ZINC000040722187 174385343 /nfs/dbraw/zinc/38/53/43/174385343.db2.gz RWGDIVKCIZELOH-UHFFFAOYSA-N 0 3 271.788 3.637 10 0 CHAEHN COc1cccc([C@@H](N)c2cccc(Cl)c2C)c1 ZINC000041654583 174593497 /nfs/dbraw/zinc/59/34/97/174593497.db2.gz QIKMKCGJFXWUGT-OAHLLOKOSA-N 0 3 261.752 3.705 10 0 CHAEHN CCN[C@@H]1CC(C)(C)Oc2cc(OCC(C)C)ccc21 ZINC000044421762 175174331 /nfs/dbraw/zinc/17/43/31/175174331.db2.gz KXHVBGQVBPQJJZ-OAHLLOKOSA-N 0 3 277.408 3.933 10 0 CHAEHN CC(C)c1ccc(CNC2=NC[C@@H](C3CC3)S2)cc1 ZINC000071307829 176116423 /nfs/dbraw/zinc/11/64/23/176116423.db2.gz WEQITUQGJHNYAN-HNNXBMFYSA-N 0 3 274.433 3.781 10 0 CHAEHN CNCc1cc(C)ccc1OCc1ccc(C)cc1 ZINC000071403721 176155472 /nfs/dbraw/zinc/15/54/72/176155472.db2.gz DTWSMNOCYZPEPY-UHFFFAOYSA-N 0 3 255.361 3.602 10 0 CHAEHN COCc1c2cccc(Cl)c2oc1CNC(C)C ZINC000077069195 177184179 /nfs/dbraw/zinc/18/41/79/177184179.db2.gz ZQIGXOAXYOZNAF-UHFFFAOYSA-N 0 3 267.756 3.731 10 0 CHAEHN CNCc1oc2c(cc(Cl)cc2Cl)c1COC ZINC000077071879 177188231 /nfs/dbraw/zinc/18/82/31/177188231.db2.gz VPNGPDXXHHXWCN-UHFFFAOYSA-N 0 3 274.147 3.605 10 0 CHAEHN CCCn1ccc(CNCc2ccc(OC(F)F)cc2)c1 ZINC000091009840 260264759 /nfs/dbraw/zinc/26/47/59/260264759.db2.gz VBNIZOSQRLURNJ-UHFFFAOYSA-N 0 3 294.345 3.789 10 0 CHAEHN CCC[C@@H]1C[C@H]1N[C@@H](C)c1cc(OC)ccc1OC ZINC000090175875 260336458 /nfs/dbraw/zinc/33/64/58/260336458.db2.gz LJXWVKPDUXSXNG-YWPYICTPSA-N 0 3 263.381 3.543 10 0 CHAEHN O[C@H]1CCCC[C@H]1CNCc1cccc(Cl)c1Cl ZINC000085972532 260381892 /nfs/dbraw/zinc/38/18/92/260381892.db2.gz DRSNPRIRKGNGDM-GWCFXTLKSA-N 0 3 288.218 3.634 10 0 CHAEHN C[C@H](C(=O)Nc1ccc(Cl)cc1)[C@H](N)c1ccccc1 ZINC000130060459 260392330 /nfs/dbraw/zinc/39/23/30/260392330.db2.gz KASDETJVKDTFKL-NHYWBVRUSA-N 0 3 288.778 3.615 10 0 CHAEHN C[C@@H](C(=O)Nc1cccc(Cl)c1)[C@@H](N)c1ccccc1 ZINC000130059393 260392653 /nfs/dbraw/zinc/39/26/53/260392653.db2.gz YCGVQNKZECLDSJ-IAQYHMDHSA-N 0 3 288.778 3.615 10 0 CHAEHN C[C@H](C(=O)Nc1ccccc1Cl)[C@H](N)c1ccccc1 ZINC000130066316 260392894 /nfs/dbraw/zinc/39/28/94/260392894.db2.gz KUAIJHQNGSLNCW-NHYWBVRUSA-N 0 3 288.778 3.615 10 0 CHAEHN Cc1cnn([C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2)c1 ZINC000106219817 261323344 /nfs/dbraw/zinc/32/33/44/261323344.db2.gz KRVVOBVQZSZCAN-WMLDXEAASA-N 0 3 287.382 3.729 10 0 CHAEHN c1ccc(CN2CCCC[C@@H]2CNc2ccccn2)cc1 ZINC000301126443 261330454 /nfs/dbraw/zinc/33/04/54/261330454.db2.gz ZCBKQFLMALAFPG-QGZVFWFLSA-N 0 3 281.403 3.548 10 0 CHAEHN C[C@H](CCCO)NC1c2ccccc2CCc2ccccc21 ZINC000180750826 261873307 /nfs/dbraw/zinc/87/33/07/261873307.db2.gz SLNHFOPYUFACQE-OAHLLOKOSA-N 0 3 295.426 3.625 10 0 CHAEHN CN(C)C[C@H](N[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000120437966 262195419 /nfs/dbraw/zinc/19/54/19/262195419.db2.gz OQQRPUXMKTXEFR-UXHICEINSA-N 0 3 294.442 3.957 10 0 CHAEHN Cc1cc(C)cc(CN[C@@H](C)COCc2ccccc2)c1 ZINC000390585391 262223558 /nfs/dbraw/zinc/22/35/58/262223558.db2.gz LOIGQXATDFJADF-KRWDZBQOSA-N 0 3 283.415 3.998 10 0 CHAEHN CC(C)[C@@H](C)N[C@@H](C)c1ncc(Br)cc1F ZINC000186937450 262331188 /nfs/dbraw/zinc/33/11/88/262331188.db2.gz MFUPIIXOQKVVOT-BDAKNGLRSA-N 0 3 289.192 3.678 10 0 CHAEHN CCn1nc(C)c([C@@H](C)NC[C@@H]2CCCC2(F)F)c1C ZINC000390856479 262354676 /nfs/dbraw/zinc/35/46/76/262354676.db2.gz JTKNKFIRCDKYNA-MFKMUULPSA-N 0 3 285.382 3.606 10 0 CHAEHN C[C@@H]1CC[C@H](NCc2cncs2)c2ccccc21 ZINC000132251137 264386720 /nfs/dbraw/zinc/38/67/20/264386720.db2.gz OQLZCTFQFKKMQT-ABAIWWIYSA-N 0 3 258.390 3.871 10 0 CHAEHN Cc1nn(C)cc1CN[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000148889805 265007688 /nfs/dbraw/zinc/00/76/88/265007688.db2.gz KBHQDWRNWVCTDS-ZDUSSCGKSA-N 0 3 285.435 3.877 10 0 CHAEHN c1cnn(-c2ccc(CN3CCC[C@H]3c3ccco3)cc2)c1 ZINC000116289747 267136887 /nfs/dbraw/zinc/13/68/87/267136887.db2.gz CQQGRBAXFAUZQO-KRWDZBQOSA-N 0 3 293.370 3.802 10 0 CHAEHN Cc1cccc(C2CC(N[C@H](C)c3ccccn3)C2)c1 ZINC000036843166 326829140 /nfs/dbraw/zinc/82/91/40/326829140.db2.gz CSLJMOQPCFTSGW-ODIFPOPNSA-N 0 3 266.388 3.987 10 0 CHAEHN CN(C)C[C@@H](NCc1cc(Cl)cs1)c1ccccc1 ZINC000093093299 327104551 /nfs/dbraw/zinc/10/45/51/327104551.db2.gz FFBIGGFLQFMEEO-OAHLLOKOSA-N 0 3 294.851 3.794 10 0 CHAEHN Cc1cc(C)n(CCCNc2ccnc3ccc(C)cc32)n1 ZINC000302180899 328831601 /nfs/dbraw/zinc/83/16/01/328831601.db2.gz ZOTKRCZFLJFTLB-UHFFFAOYSA-N 0 3 294.402 3.859 10 0 CHAEHN COc1cc(CN2CCC[C@@H]2c2ccco2)ccc1C ZINC000193938335 329064178 /nfs/dbraw/zinc/06/41/78/329064178.db2.gz WHLKJIPPBUVXRX-OAHLLOKOSA-N 0 3 271.360 3.934 10 0 CHAEHN CCc1ccc(CN2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000172247962 329084193 /nfs/dbraw/zinc/08/41/93/329084193.db2.gz ANHSXURMPXJXNV-SFHVURJKSA-N 0 3 297.446 3.936 10 0 CHAEHN Cc1ncsc1CCN1CC=C(c2cccs2)CC1 ZINC000172545288 329137163 /nfs/dbraw/zinc/13/71/63/329137163.db2.gz MNDJBJMGBIYZQL-UHFFFAOYSA-N 0 3 290.457 3.845 10 0 CHAEHN CSCCCN1CC=C(c2cccs2)CC1 ZINC000173768187 329152137 /nfs/dbraw/zinc/15/21/37/329152137.db2.gz STWLMZCJYUWNDF-UHFFFAOYSA-N 0 3 253.436 3.590 10 0 CHAEHN C[C@H](N[C@@H](c1cccnc1)c1ccc(F)c(F)c1)C1CC1 ZINC000177291685 329185699 /nfs/dbraw/zinc/18/56/99/329185699.db2.gz ZTULCAOQAMEEFK-APPDUMDISA-N 0 3 288.341 3.837 10 0 CHAEHN CCOC[C@@H](C)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000178727748 329200392 /nfs/dbraw/zinc/20/03/92/329200392.db2.gz OUFYWGODUSTBNQ-ZBFHGGJFSA-N 0 3 289.419 3.838 10 0 CHAEHN C[C@H](N[C@@H]1C[C@H]1C)c1nc(-c2ccccc2)cs1 ZINC000178685223 329202047 /nfs/dbraw/zinc/20/20/47/329202047.db2.gz WCTVMPVGQWETLH-NTZNESFSSA-N 0 3 258.390 3.869 10 0 CHAEHN CCNCc1nc(-c2cc3ccccc3o2)cs1 ZINC000053294240 329664222 /nfs/dbraw/zinc/66/42/22/329664222.db2.gz UPCXZHOIJHURHN-UHFFFAOYSA-N 0 3 258.346 3.666 10 0 CHAEHN CCOC[C@@H](C)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000044689879 330332195 /nfs/dbraw/zinc/33/21/95/330332195.db2.gz CEUUITHFSASIBX-GHMZBOCLSA-N 0 3 291.313 3.661 10 0 CHAEHN CCn1cccc1CNCc1ccc(Cl)s1 ZINC000085609774 330366306 /nfs/dbraw/zinc/36/63/06/330366306.db2.gz OZTPAHGKOKVRQL-UHFFFAOYSA-N 0 3 254.786 3.513 10 0 CHAEHN Cc1ccc(OC(F)F)c([C@H](C)N[C@H]2C[C@@H]2C)c1 ZINC000120444078 330388032 /nfs/dbraw/zinc/38/80/32/330388032.db2.gz ASQQQNZGEXFRAF-NHCYSSNCSA-N 0 3 255.308 3.655 10 0 CHAEHN Cc1ncc([C@H](C)N[C@H](C)[C@@H]2COc3ccccc32)s1 ZINC000090845703 330396482 /nfs/dbraw/zinc/39/64/82/330396482.db2.gz JBSPKXZKELUYKX-SUNKGSAMSA-N 0 3 288.416 3.667 10 0 CHAEHN CCn1cc(C2CCN(Cc3ccc(C)c(C)c3)CC2)cn1 ZINC000092809307 330413986 /nfs/dbraw/zinc/41/39/86/330413986.db2.gz IUYHKYQBIWRQLN-UHFFFAOYSA-N 0 3 297.446 3.899 10 0 CHAEHN C[C@H](COCc1ccccc1)N[C@H](C)c1cccc(O)c1 ZINC000194904104 331072662 /nfs/dbraw/zinc/07/26/62/331072662.db2.gz HRLNCTFIMFBWCL-HUUCEWRRSA-N 0 3 285.387 3.648 10 0 CHAEHN Cc1ccccc1[C@@H](NC[C@H](O)C(C)C)c1ccccc1 ZINC000166066297 331306658 /nfs/dbraw/zinc/30/66/58/331306658.db2.gz AJACNEGVBKVNRO-OALUTQOASA-N 0 3 283.415 3.691 10 0 CHAEHN COc1cccc([C@@H](C)N[C@@H](C)COCc2ccccc2)c1 ZINC000177385543 333058266 /nfs/dbraw/zinc/05/82/66/333058266.db2.gz LUPITMAPMSLBKH-JKSUJKDBSA-N 0 3 299.414 3.951 10 0 CHAEHN Cc1ccc([C@H](C)NCCn2cc(Cl)cn2)c(C)c1 ZINC000311850476 333073180 /nfs/dbraw/zinc/07/31/80/333073180.db2.gz VVZZZVOJJBHODY-ZDUSSCGKSA-N 0 3 277.799 3.504 10 0 CHAEHN Fc1cccc(CCCN2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000182876650 333118093 /nfs/dbraw/zinc/11/80/93/333118093.db2.gz OZOCAXBDOFJNFC-QGZVFWFLSA-N 0 3 287.382 3.709 10 0 CHAEHN C[C@@H]1OCC[C@@H]1NCc1ccc(F)c(-c2cccs2)c1 ZINC000134241860 334085245 /nfs/dbraw/zinc/08/52/45/334085245.db2.gz GRIXOTAWTXMDAZ-NHYWBVRUSA-N 0 3 291.391 3.821 10 0 CHAEHN Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@H]1CCO[C@H]1C ZINC000251227408 334358527 /nfs/dbraw/zinc/35/85/27/334358527.db2.gz XCDATBYOSRRTLY-DLOVCJGASA-N 0 3 282.453 3.577 10 0 CHAEHN C[C@H](c1ccc(Cl)cc1)N1CCN2CCCC[C@H]2C1 ZINC000252513065 334381777 /nfs/dbraw/zinc/38/17/77/334381777.db2.gz JIGXWHHCNDXDSH-CJNGLKHVSA-N 0 3 278.827 3.571 10 0 CHAEHN CCC[C@H](C)CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000252733971 334388019 /nfs/dbraw/zinc/38/80/19/334388019.db2.gz XQLCAMGLBHVFHJ-RBOXIYTFSA-N 0 3 283.362 3.509 10 0 CHAEHN O[C@@H]1CCCCC[C@@H]1N[C@H]1CCSc2c(F)cccc21 ZINC000252846771 334396672 /nfs/dbraw/zinc/39/66/72/334396672.db2.gz CTLFMSVMWIEPAT-SOUVJXGZSA-N 0 3 295.423 3.646 10 0 CHAEHN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)[C@H]1CCCCO1 ZINC000271986414 334748820 /nfs/dbraw/zinc/74/88/20/334748820.db2.gz YHADTMXWVXTZCX-FIXISWKDSA-N 0 3 269.335 3.573 10 0 CHAEHN CCCC[C@@H](CC)Cn1nc(C)c([C@H](C)NC)c1C ZINC000054717977 521037800 /nfs/dbraw/zinc/03/78/00/521037800.db2.gz MVQMFIXVEWZEEG-SWLSCSKDSA-N 0 3 265.445 3.997 10 0 CHAEHN CCCC[C@H](C)NC1=NC[C@@H](c2ccccc2)S1 ZINC000050889892 521149306 /nfs/dbraw/zinc/14/93/06/521149306.db2.gz VWUJVHGVEGZHPZ-JSGCOSHPSA-N 0 3 262.422 3.999 10 0 CHAEHN CNCc1occc1COc1ccc(C(C)C)cc1 ZINC000052653388 522163701 /nfs/dbraw/zinc/16/37/01/522163701.db2.gz MDUJHXFPNXYURF-UHFFFAOYSA-N 0 3 259.349 3.701 10 0 CHAEHN CC(C)(C)NCc1occc1COC1CCCC1 ZINC000052600946 518770601 /nfs/dbraw/zinc/77/06/01/518770601.db2.gz DPDPPMXXVPPSKC-UHFFFAOYSA-N 0 3 251.370 3.627 10 0 CHAEHN CC(C)C[C@@H](C)Oc1nc(CN)cc2ccccc21 ZINC000051523927 519774152 /nfs/dbraw/zinc/77/41/52/519774152.db2.gz OVYGDSLEKMCCOM-GFCCVEGCSA-N 0 3 258.365 3.507 10 0 CHAEHN CC(C)[C@@H]1CCc2nc(C3(N)CCCC3)sc2C1 ZINC000054556865 519803570 /nfs/dbraw/zinc/80/35/70/519803570.db2.gz RARBIZVSLZBDON-LLVKDONJSA-N 0 3 264.438 3.632 10 0 CHAEHN CC(C)c1cc(N)c2cc(OC(F)F)ccc2n1 ZINC000050870790 519832991 /nfs/dbraw/zinc/83/29/91/519832991.db2.gz WIKPXOHTDBYNJG-UHFFFAOYSA-N 0 3 252.264 3.542 10 0 CHAEHN CC(C)c1ccc([C@H](O)[C@H](N)c2ccccc2)cc1 ZINC000054681746 519840122 /nfs/dbraw/zinc/84/01/22/519840122.db2.gz DQWYSYCSWKYRHA-SJORKVTESA-N 0 3 255.361 3.543 10 0 CHAEHN CCN[C@@H](Cc1ccccc1Br)c1ccco1 ZINC000054456151 520104271 /nfs/dbraw/zinc/10/42/71/520104271.db2.gz JHRKSHKDWUYCJJ-ZDUSSCGKSA-N 0 3 294.192 3.935 10 0 CHAEHN CCN[C@@H](c1ccc(Cl)cc1)c1cncc(F)c1 ZINC000049576167 520109621 /nfs/dbraw/zinc/10/96/21/520109621.db2.gz WRNHOVYGRPQZBM-AWEZNQCLSA-N 0 3 264.731 3.573 10 0 CHAEHN CCCCCN(C)c1nc(C(C)(C)C)c(CNC)s1 ZINC000054997044 520155056 /nfs/dbraw/zinc/15/50/56/520155056.db2.gz YFZOSEBMNMSIEC-UHFFFAOYSA-N 0 3 283.485 3.786 10 0 CHAEHN CCCCCOc1ccc(CNCCOC)cc1Cl ZINC000062730454 520252018 /nfs/dbraw/zinc/25/20/18/520252018.db2.gz NXIFAYRGBWWDFQ-UHFFFAOYSA-N 0 3 285.815 3.645 10 0 CHAEHN CCCOc1ccc(-c2nc(C)c([C@@H](C)N)s2)cc1 ZINC000052919523 520316819 /nfs/dbraw/zinc/31/68/19/520316819.db2.gz ODORCKZVQWVMKS-SNVBAGLBSA-N 0 3 276.405 3.927 10 0 CHAEHN CCC[C@H](C)COc1cc(F)ccc1[C@@H](C)NC ZINC000062746275 521019716 /nfs/dbraw/zinc/01/97/16/521019716.db2.gz INJVIIIVVYJVBL-NWDGAFQWSA-N 0 3 253.361 3.921 10 0 CHAEHN CCCc1nc(N(CC(C)C)CC(C)C)sc1CN ZINC000054998472 521531291 /nfs/dbraw/zinc/53/12/91/521531291.db2.gz KXFIREHGSZFAIX-UHFFFAOYSA-N 0 3 283.485 3.673 10 0 CHAEHN CNCc1cc(F)c(Oc2ccc(C)cc2)c(F)c1 ZINC000062720024 522113820 /nfs/dbraw/zinc/11/38/20/522113820.db2.gz TUNROVWGAIBWER-UHFFFAOYSA-N 0 3 263.287 3.785 10 0 CHAEHN CNCc1occc1COc1cc(C)ccc1Cl ZINC000052697430 522164766 /nfs/dbraw/zinc/16/47/66/522164766.db2.gz QPKSWJMRYXDUGI-UHFFFAOYSA-N 0 3 265.740 3.540 10 0 CHAEHN CC[C@@H](C)OCc1cc(CNCC(C)C)oc1C ZINC000052669280 522253309 /nfs/dbraw/zinc/25/33/09/522253309.db2.gz XQCLMXGSNULZKK-GFCCVEGCSA-N 0 3 253.386 3.649 10 0 CHAEHN CN[C@@H](Cc1ccc(F)cc1Cl)c1ccco1 ZINC000054456001 522360454 /nfs/dbraw/zinc/36/04/54/522360454.db2.gz HFIWKOILDALHAH-LBPRGKRZSA-N 0 3 253.704 3.575 10 0 CHAEHN CN[C@H](C)c1ccccc1OCCc1cccs1 ZINC000049585799 522450889 /nfs/dbraw/zinc/45/08/89/522450889.db2.gz FMKISAYLXULSTJ-GFCCVEGCSA-N 0 3 261.390 3.650 10 0 CHAEHN CNc1cc(C)nc2ccc(OCC(F)(F)F)cc21 ZINC000050868793 522566111 /nfs/dbraw/zinc/56/61/11/522566111.db2.gz SLRCNUNOLUFHDZ-UHFFFAOYSA-N 0 3 270.254 3.526 10 0 CHAEHN CC[C@](C)(N)c1nc2c(s1)CCc1sccc1-2 ZINC000061326057 523475124 /nfs/dbraw/zinc/47/51/24/523475124.db2.gz JMTROIKXCUWFAC-ZDUSSCGKSA-N 0 3 264.419 3.554 10 0 CHAEHN CCc1ccc([C@](C)(N)c2ccc(F)cc2F)cc1 ZINC000055238507 524057379 /nfs/dbraw/zinc/05/73/79/524057379.db2.gz TWRAVMIYZOPBKM-INIZCTEOSA-N 0 3 261.315 3.749 10 0 CHAEHN C[C@@H]1CCCN(Cc2ccc(Cl)cc2N)[C@@H]1C ZINC000050563278 524233430 /nfs/dbraw/zinc/23/34/30/524233430.db2.gz AOFFYUCPGFUYND-GHMZBOCLSA-N 0 3 252.789 3.543 10 0 CHAEHN Cc1cc(F)ccc1CN[C@H]1CCc2ccccc21 ZINC000050569192 524980200 /nfs/dbraw/zinc/98/02/00/524980200.db2.gz JPGNBZISJQAWLQ-KRWDZBQOSA-N 0 3 255.336 3.911 10 0 CHAEHN C[C@H]1c2ccsc2CCN1c1cc(Cl)ccc1CN ZINC000062787001 525132579 /nfs/dbraw/zinc/13/25/79/525132579.db2.gz FOYMHQYZEASILT-JTQLQIEISA-N 0 3 292.835 3.984 10 0 CHAEHN C[C@H](NCc1cc(F)cc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000129437239 525431647 /nfs/dbraw/zinc/43/16/47/525431647.db2.gz XHJOZBZYELMWLV-TVQRCGJNSA-N 0 3 291.288 3.502 10 0 CHAEHN C[C@H](N[C@H]1C[C@@H]1C)c1sccc1Br ZINC000052274784 525636950 /nfs/dbraw/zinc/63/69/50/525636950.db2.gz YPCDVGAOFDQDKW-ZKWXMUAHSA-N 0 3 260.200 3.570 10 0 CHAEHN C[C@@H](N[C@H]1CCCCC[C@@H]1O)c1ccccc1Cl ZINC000049508663 525674283 /nfs/dbraw/zinc/67/42/83/525674283.db2.gz QKHACGMJYRFGAE-UGFHNGPFSA-N 0 3 267.800 3.684 10 0 CHAEHN Oc1ccc([C@@H](NC2CCC2)c2ccccc2)cc1 ZINC000052207232 526353058 /nfs/dbraw/zinc/35/30/58/526353058.db2.gz YSJXZDRXRIGOEA-KRWDZBQOSA-N 0 3 253.345 3.624 10 0 CHAEHN Cc1nc(-c2ccc(C(C)C)cc2)ncc1[C@@H](C)N ZINC000054962518 526564944 /nfs/dbraw/zinc/56/49/44/526564944.db2.gz SRTBAUNDNOUGGK-LLVKDONJSA-N 0 3 255.365 3.595 10 0 CHAEHN Cc1nc(-c2ccc(C(C)C)cc2)ncc1[C@H](C)N ZINC000054962519 526565063 /nfs/dbraw/zinc/56/50/63/526565063.db2.gz SRTBAUNDNOUGGK-NSHDSACASA-N 0 3 255.365 3.595 10 0 CHAEHN Cc1oc(CNC(C)(C)C)cc1COC1CCCC1 ZINC000052600927 526775125 /nfs/dbraw/zinc/77/51/25/526775125.db2.gz ULOARLKZSLZYIV-UHFFFAOYSA-N 0 3 265.397 3.935 10 0 CHAEHN Cc1nc(CN[C@@H](CC(C)C)c2ccccc2)c[nH]1 ZINC000054821912 526890267 /nfs/dbraw/zinc/89/02/67/526890267.db2.gz NGCNGLFWMAYFHS-INIZCTEOSA-N 0 3 257.381 3.595 10 0 CHAEHN Cc1ncc(CN[C@@H](CC(C)C)c2ccccc2)[nH]1 ZINC000054821912 526890272 /nfs/dbraw/zinc/89/02/72/526890272.db2.gz NGCNGLFWMAYFHS-INIZCTEOSA-N 0 3 257.381 3.595 10 0 CHAEHN NCc1cc(Cl)ccc1N1CCC[C@@H]2CCCC[C@@H]21 ZINC000052856943 527248467 /nfs/dbraw/zinc/24/84/67/527248467.db2.gz REDCKPPGBKFYCL-WFASDCNBSA-N 0 3 278.827 3.958 10 0 CHAEHN Cc1nccn1-c1cccc(Cl)c1CNC(C)(C)C ZINC000062738622 527384311 /nfs/dbraw/zinc/38/43/11/527384311.db2.gz KNRQBNXPBFETAV-UHFFFAOYSA-N 0 3 277.799 3.722 10 0 CHAEHN N[C@H](c1ccccc1)[C@H](O)c1c(Cl)cccc1Cl ZINC000054682597 527392181 /nfs/dbraw/zinc/39/21/81/527392181.db2.gz HSMFVAXDTPGGAJ-ZIAGYGMSSA-N 0 3 282.170 3.727 10 0 CHAEHN CCC[C@@H](N)c1cc2cccc(Br)c2o1 ZINC000083821465 567028480 /nfs/dbraw/zinc/02/84/80/567028480.db2.gz LMVNITAOQCKNHK-SNVBAGLBSA-N 0 3 268.154 3.995 10 0 CHAEHN CCNCc1ccccc1OCc1ccccc1C ZINC000033435580 567860943 /nfs/dbraw/zinc/86/09/43/567860943.db2.gz CATPLRAVOOCESA-UHFFFAOYSA-N 0 3 255.361 3.684 10 0 CHAEHN COCCCNCc1ccccc1OCc1ccc(C)cc1 ZINC000013722570 567867584 /nfs/dbraw/zinc/86/75/84/567867584.db2.gz MVDKSSROTVLAFA-UHFFFAOYSA-N 0 3 299.414 3.700 10 0 CHAEHN N[C@@H](CC1CC1)c1cc2cc(Br)ccc2o1 ZINC000309181082 567931529 /nfs/dbraw/zinc/93/15/29/567931529.db2.gz CHYVWWKXNUOWLF-NSHDSACASA-N 0 3 280.165 3.995 10 0 CHAEHN CNCc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000019777459 567944915 /nfs/dbraw/zinc/94/49/15/567944915.db2.gz ASQOYWUVIBZWRJ-UHFFFAOYSA-N 0 3 275.779 3.947 10 0 CHAEHN C[C@@]1(N2CCC2)CC=C(c2ccccc2C=O)CC1 ZINC000725256662 570259375 /nfs/dbraw/zinc/25/93/75/570259375.db2.gz AQODQUJLISWQJV-QGZVFWFLSA-N 0 3 255.361 3.531 10 0 CHAEHN CCC1(N2CCN(C(=O)OC(C)(C)C)CC2)CCCCC1 ZINC000685960948 570406872 /nfs/dbraw/zinc/40/68/72/570406872.db2.gz IITKTRTWDVWHDV-UHFFFAOYSA-N 0 3 296.455 3.652 10 0 CHAEHN