smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=c1n(CCN2CCCCC2)c2ccccc2n1CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000003880223 845044831 /nfs/dbraw/zinc/04/48/31/845044831.db2.gz ZYNPSWQUEBAETK-UHFFFAOYSA-N 0 3 420.601 4.194 50 0 HIAAHN COc1cc2c(cc1OC)CN([C@@H]1CCCN(Cc3cc4ccccc4o3)C1)CC2 ZINC000023375222 846691625 /nfs/dbraw/zinc/69/16/25/846691625.db2.gz GPJFAWXGBQOZKL-OAQYLSRUSA-N 0 3 406.526 4.473 50 0 HIAAHN CCOc1cc(/C=C\C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc(Cl)c1OC ZINC000096585379 852551546 /nfs/dbraw/zinc/55/15/46/852551546.db2.gz RUGOOWPJVXVQAJ-VJIACCKLSA-N 0 3 414.933 4.151 50 0 HIAAHN COc1cccc([C@H](CNC(=O)/C=C\c2ccc(OC(F)F)cc2)N2CCCC2)c1 ZINC000097985906 852646566 /nfs/dbraw/zinc/64/65/66/852646566.db2.gz XTHXIONLWBXZEE-ZAGZISDZSA-N 0 3 416.468 4.263 50 0 HIAAHN OC1CCN(Cc2ccc3c(c2)CN(Cc2ccccc2C(F)(F)F)CCO3)CC1 ZINC000299770819 854280921 /nfs/dbraw/zinc/28/09/21/854280921.db2.gz RSLASBONKDEMRC-UHFFFAOYSA-N 0 3 420.475 4.057 50 0 HIAAHN Cc1cccc(N2CCN(C(=O)C3CCN(Cc4ccc(F)cc4)CC3)CC2)c1C ZINC000006547374 132311521 /nfs/dbraw/zinc/31/15/21/132311521.db2.gz MCFBBSPIIOWBNG-UHFFFAOYSA-N 0 3 409.549 4.003 50 0 HIAAHN COc1cc(CNC[C@@H](C)O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000040743978 522455252 /nfs/dbraw/zinc/45/52/52/522455252.db2.gz OCOOZECPSLWIEH-GFCCVEGCSA-N 0 3 414.727 4.161 50 0 HIAAHN COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(Cc3cnc(C)[nH]3)C2)cc1 ZINC000042917348 523139694 /nfs/dbraw/zinc/13/96/94/523139694.db2.gz KFEVVEDGULOEOQ-LJQANCHMSA-N 0 3 404.514 4.244 50 0 HIAAHN CN(Cc1ccccc1N1CCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000032779407 523373052 /nfs/dbraw/zinc/37/30/52/523373052.db2.gz GLNKNNKZSIUOSY-UHFFFAOYSA-N 0 3 406.574 4.093 50 0 HIAAHN COc1ccc(Cc2nc3ccc(C(=O)NCCN4CCCC[C@@H]4C)cc3o2)cc1 ZINC000040451184 524165936 /nfs/dbraw/zinc/16/59/36/524165936.db2.gz BDPLFYGSBOIPDS-KRWDZBQOSA-N 0 3 407.514 4.031 50 0 HIAAHN CSc1ccc(Cl)c(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000032818677 526012424 /nfs/dbraw/zinc/01/24/24/526012424.db2.gz OVTRDPWFOIPCMU-OAQYLSRUSA-N 0 3 418.006 4.171 50 0 HIAAHN COc1cccc(CNCCCN2CCCC2=O)c1OCc1cccc(Cl)c1 ZINC000040722614 526012720 /nfs/dbraw/zinc/01/27/20/526012720.db2.gz INIJTUKSJJCGBC-UHFFFAOYSA-N 0 3 402.922 4.030 50 0 HIAAHN O[C@H](COCc1ccc2c(c1)OCO2)CN1CCc2sccc2[C@@H]1c1ccccc1 ZINC000032843157 526284888 /nfs/dbraw/zinc/28/48/88/526284888.db2.gz BQWNDSDANVLCTC-CYFREDJKSA-N 0 3 423.534 4.002 50 0 HIAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000032765697 526579169 /nfs/dbraw/zinc/57/91/69/526579169.db2.gz VQXIIIBEXZOOMF-HSZRJFAPSA-N 0 3 400.526 4.317 50 0 HIAAHN COc1cc(CN2CCC(C(=O)N3CCCCC3)CC2)ccc1OCc1ccccc1 ZINC000001179424 557229398 /nfs/dbraw/zinc/22/93/98/557229398.db2.gz CLIPYYZRYMIWQD-UHFFFAOYSA-N 0 3 422.569 4.499 50 0 HIAAHN Cc1ccc(CN2CCCN(c3ccc(NC(=O)Cc4cccs4)cn3)CC2)cc1 ZINC000034681831 557383638 /nfs/dbraw/zinc/38/36/38/557383638.db2.gz CSVNBZZSOXAKMF-UHFFFAOYSA-N 0 3 420.582 4.345 50 0 HIAAHN CCCNCc1cc(OCC)c(OCC(=O)Nc2ccccc2)cc1Br ZINC000002863758 557411434 /nfs/dbraw/zinc/41/14/34/557411434.db2.gz BHFTZNIEJSFAKH-UHFFFAOYSA-N 0 3 421.335 4.365 50 0 HIAAHN COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)nc1 ZINC000004770697 557596495 /nfs/dbraw/zinc/59/64/95/557596495.db2.gz BJTCCGOLJYSKPQ-UHFFFAOYSA-N 0 3 412.873 4.341 50 0 HIAAHN Cc1c(Cl)ccc2c(C(=O)NCCN3CCCCC3)cc(-c3ccncc3)nc12 ZINC000005048785 557629955 /nfs/dbraw/zinc/62/99/55/557629955.db2.gz HYVBALYDKSWUTE-UHFFFAOYSA-N 0 3 408.933 4.474 50 0 HIAAHN COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(Cc3ccc(CO)o3)C2)cc1 ZINC000011878498 558292789 /nfs/dbraw/zinc/29/27/89/558292789.db2.gz DAWWVVGXEOQCEZ-IBGZPJMESA-N 0 3 420.509 4.298 50 0 HIAAHN COc1ccc(CN2CCC(N3C[C@H](C)O[C@@H](C)C3)CC2)cc1OCc1ccccc1 ZINC000019889050 558302379 /nfs/dbraw/zinc/30/23/79/558302379.db2.gz WIDPDFCJYLWUFS-SFTDATJTSA-N 0 3 424.585 4.348 50 0 HIAAHN COc1ccccc1CN1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1 ZINC000012004642 558308942 /nfs/dbraw/zinc/30/89/42/558308942.db2.gz NPWQWBLKMVECMA-UHFFFAOYSA-N 0 3 418.541 4.300 50 0 HIAAHN Cc1ccccc1CCN1CCC(CN(C(=O)C(=O)c2ccco2)C2CCCC2)CC1 ZINC000012051936 558314370 /nfs/dbraw/zinc/31/43/70/558314370.db2.gz HQMKJRMPVLQJIL-UHFFFAOYSA-N 0 3 422.569 4.497 50 0 HIAAHN COc1ccccc1N1CCN([C@H]2CCCN(C/C(C)=C/c3ccccc3)C2)CC1 ZINC000020117759 558336804 /nfs/dbraw/zinc/33/68/04/558336804.db2.gz IKYKMHDZODQJHT-FABAWLPWSA-N 0 3 405.586 4.385 50 0 HIAAHN COc1cc(CN2CCC[C@@H](C)C2)ccc1OCCCNC(=O)c1ccc(F)cc1 ZINC000012150217 558338885 /nfs/dbraw/zinc/33/88/85/558338885.db2.gz HTEWKFHSCMSQRK-GOSISDBHSA-N 0 3 414.521 4.265 50 0 HIAAHN COc1ccc(CCNC(=O)COc2ccc(-c3ccccc3)cc2CN(C)C)cc1 ZINC000012165076 558342270 /nfs/dbraw/zinc/34/22/70/558342270.db2.gz GWMJWUKTUJNLRB-UHFFFAOYSA-N 0 3 418.537 4.162 50 0 HIAAHN COc1ccc(CN2C(=O)CC[C@@H]3CN(C/C=C/c4ccccc4OC)CC[C@@H]32)cc1 ZINC000012201993 558351697 /nfs/dbraw/zinc/35/16/97/558351697.db2.gz OIQJYLUISQXFIK-KQAUKTGJSA-N 0 3 420.553 4.230 50 0 HIAAHN CCc1ccc(CN2CCC(CCC(=O)Nc3ccc(OC)cc3OC)CC2)o1 ZINC000012302137 558371689 /nfs/dbraw/zinc/37/16/89/558371689.db2.gz ROHDDUSBLBCPHG-UHFFFAOYSA-N 0 3 400.519 4.490 50 0 HIAAHN CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CNCCCc1ccccc1 ZINC000012302070 558371887 /nfs/dbraw/zinc/37/18/87/558371887.db2.gz FDDXUUUHIPMFKP-UHFFFAOYSA-N 0 3 412.537 4.329 50 0 HIAAHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)n1 ZINC000012304048 558373429 /nfs/dbraw/zinc/37/34/29/558373429.db2.gz ATMLDGFACOFBDZ-UHFFFAOYSA-N 0 3 402.498 4.428 50 0 HIAAHN O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3ccc(C(F)(F)F)cc3)N3CCC[C@@]123 ZINC000012307403 558376183 /nfs/dbraw/zinc/37/61/83/558376183.db2.gz IKVSUOLXSCXSHS-ZJOUEHCJSA-N 0 3 401.432 4.038 50 0 HIAAHN CCOc1cc(CNC[C@@H](C)O)cc(Br)c1OCc1ccc(C)cc1 ZINC000020874713 558418893 /nfs/dbraw/zinc/41/88/93/558418893.db2.gz CDWRNYFEZXXVAF-OAHLLOKOSA-N 0 3 408.336 4.206 50 0 HIAAHN CCCOc1c(Br)cc(CNC[C@@H]2CCCO2)cc1Br ZINC000020926759 558423674 /nfs/dbraw/zinc/42/36/74/558423674.db2.gz ARKIFDIGLPQKBS-LBPRGKRZSA-N 0 3 407.146 4.269 50 0 HIAAHN CN(Cc1ccccc1)C(=O)CCC1CCN(Cc2ccc3nsnc3c2)CC1 ZINC000012573451 558429999 /nfs/dbraw/zinc/42/99/99/558429999.db2.gz MQGNSMMAOJTASY-UHFFFAOYSA-N 0 3 408.571 4.342 50 0 HIAAHN O=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(Cc2cc3ccccc3s2)C1 ZINC000012580903 558432312 /nfs/dbraw/zinc/43/23/12/558432312.db2.gz LYIOHHDANUQNQT-LJQANCHMSA-N 0 3 414.596 4.233 50 0 HIAAHN CN(C(=O)c1cccc(-n2cccn2)c1)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000012583891 558433321 /nfs/dbraw/zinc/43/33/21/558433321.db2.gz VKGLAEALONKRBP-XMMPIXPASA-N 0 3 402.542 4.042 50 0 HIAAHN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)NCc1ccccc1CN1CCOCC1 ZINC000021702680 558445934 /nfs/dbraw/zinc/44/59/34/558445934.db2.gz HYWBGLHMOCPVLO-WOJBJXKFSA-N 0 3 409.574 4.149 50 0 HIAAHN Cc1cc(C)n(-c2ccc(F)cc2CN2CCC(CO)(Cc3ccccc3)CC2)n1 ZINC000012712046 558452910 /nfs/dbraw/zinc/45/29/10/558452910.db2.gz UIKMKLGAEDDQKZ-UHFFFAOYSA-N 0 3 407.533 4.445 50 0 HIAAHN CCOC(=O)[C@@]1(CCc2ccccc2)CCCN(Cc2cccn2-c2ncccn2)C1 ZINC000012711732 558452959 /nfs/dbraw/zinc/45/29/59/558452959.db2.gz DMEYKEZVQBHHIS-RUZDIDTESA-N 0 3 418.541 4.045 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000013619181 558550119 /nfs/dbraw/zinc/55/01/19/558550119.db2.gz KLLBZQNNBYKXME-QHAWAJNXSA-N 0 3 404.853 4.391 50 0 HIAAHN Cc1nc(-c2ccccc2)nc2sc(C(=O)N3CCCCC3)c(OCCN(C)C)c21 ZINC000013692962 558574380 /nfs/dbraw/zinc/57/43/80/558574380.db2.gz FLJXDCRUTRPWQI-UHFFFAOYSA-N 0 3 424.570 4.233 50 0 HIAAHN CC[C@@H](CO)NCc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730651 558586510 /nfs/dbraw/zinc/58/65/10/558586510.db2.gz MLSCJTPGUAPRCP-NSHDSACASA-N 0 3 403.114 4.332 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)Cc3nc(-c4cccs4)oc3C)c(C)c2)CC1 ZINC000024496640 558599194 /nfs/dbraw/zinc/59/91/94/558599194.db2.gz DXISELVLXNEKEH-UHFFFAOYSA-N 0 3 424.570 4.343 50 0 HIAAHN CCN(CC)C(=O)c1cccc(NC(=O)CN(Cc2ccccc2)[C@H](C)C2CC2)c1 ZINC000024674708 558607264 /nfs/dbraw/zinc/60/72/64/558607264.db2.gz ZBWFCFLHTKHUKH-LJQANCHMSA-N 0 3 407.558 4.408 50 0 HIAAHN CCCc1ccc([C@H](NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)C(C)C)cc1 ZINC000024748031 558609749 /nfs/dbraw/zinc/60/97/49/558609749.db2.gz QJXOCEDCEYAXDW-XMMPIXPASA-N 0 3 407.558 4.457 50 0 HIAAHN CC(C)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O ZINC000014746065 558669118 /nfs/dbraw/zinc/66/91/18/558669118.db2.gz ONXJHTIUFQFHMQ-UHFFFAOYSA-N 0 3 419.569 4.184 50 0 HIAAHN CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC000014754455 558671588 /nfs/dbraw/zinc/67/15/88/558671588.db2.gz VPOXCAOFLPYYSY-UHFFFAOYSA-N 0 3 424.589 4.469 50 0 HIAAHN Fc1cccc(CN2CCC[C@H](c3ccnc(SCCN4CCCC4)n3)C2)c1 ZINC000014887038 558677604 /nfs/dbraw/zinc/67/76/04/558677604.db2.gz KBUPEMBXGWSAFS-IBGZPJMESA-N 0 3 400.567 4.183 50 0 HIAAHN O=C(COc1ccc(Cl)cc1Cl)NC1CCN(CCc2ccccc2)CC1 ZINC000027939378 558684991 /nfs/dbraw/zinc/68/49/91/558684991.db2.gz ATFFQRGEFMTLMD-UHFFFAOYSA-N 0 3 407.341 4.196 50 0 HIAAHN CSC[C@@H](C)N1CCC(Oc2cccc(C(=O)NCCc3ccccc3)c2)CC1 ZINC000014971290 558687376 /nfs/dbraw/zinc/68/73/76/558687376.db2.gz JCSJEDAPJBUNSG-LJQANCHMSA-N 0 3 412.599 4.254 50 0 HIAAHN COc1ccc(C(=O)NC2CC2)cc1OC1CCN(CCCc2ccccc2)CC1 ZINC000015073546 558714219 /nfs/dbraw/zinc/71/42/19/558714219.db2.gz HSAQIVCAUCGBBY-UHFFFAOYSA-N 0 3 408.542 4.063 50 0 HIAAHN CCCNCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1OC)CCCCC2 ZINC000004554487 558722153 /nfs/dbraw/zinc/72/21/53/558722153.db2.gz OLJGBUDDQJOVFM-UHFFFAOYSA-N 0 3 415.559 4.216 50 0 HIAAHN C[C@H](OC[C@@H](O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000034871995 558786224 /nfs/dbraw/zinc/78/62/24/558786224.db2.gz VMOKLPZUULCAMG-JLMWRMLUSA-N 0 3 416.949 4.129 50 0 HIAAHN CCN1CCN(c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2C)CC1 ZINC000016730662 558802167 /nfs/dbraw/zinc/80/21/67/558802167.db2.gz CBEABFKBDWBVKD-UHFFFAOYSA-N 0 3 409.555 4.091 50 0 HIAAHN CCc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000016741932 558803840 /nfs/dbraw/zinc/80/38/40/558803840.db2.gz RWAOYTGQRHGUNA-QHCPKHFHSA-N 0 3 418.537 4.469 50 0 HIAAHN COc1cccc(CN2CCC[C@]3(CCN(Cc4cccc(C(C)=O)c4)C3)C2)c1OC ZINC000055099906 558872247 /nfs/dbraw/zinc/87/22/47/558872247.db2.gz CLJRQVBTJWFKTC-SANMLTNESA-N 0 3 422.569 4.395 50 0 HIAAHN O=C(Cn1ccc2c1ccnc2SCc1ccccc1)NCCN1CCCCCC1 ZINC000033172279 558900997 /nfs/dbraw/zinc/90/09/97/558900997.db2.gz GSYOGHXHIGNLHF-UHFFFAOYSA-N 0 3 422.598 4.321 50 0 HIAAHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000058292145 558916869 /nfs/dbraw/zinc/91/68/69/558916869.db2.gz HMAUDJBMDXAXTR-GGAORHGYSA-N 0 3 413.537 4.067 50 0 HIAAHN CC(C)Cn1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O ZINC000072403941 558967452 /nfs/dbraw/zinc/96/74/52/558967452.db2.gz NJGFZBZINDUNDV-UHFFFAOYSA-N 0 3 417.553 4.052 50 0 HIAAHN Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000072404474 558978132 /nfs/dbraw/zinc/97/81/32/558978132.db2.gz MGDGNDZBWKZKBK-UHFFFAOYSA-N 0 3 408.933 4.135 50 0 HIAAHN Cc1c(C(=O)N2CCC[C@H]2[C@@H]2CCCN2Cc2ccccc2)[nH]c2c1C(=O)CCC2 ZINC000065576168 558979565 /nfs/dbraw/zinc/97/95/65/558979565.db2.gz PNZHAWYWOLWYAC-SFTDATJTSA-N 0 3 405.542 4.111 50 0 HIAAHN CCn1cc(CN2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)c(C)n1 ZINC000072453914 558982955 /nfs/dbraw/zinc/98/29/55/558982955.db2.gz HRNRNDNEGXNYGE-UHFFFAOYSA-N 0 3 407.484 4.260 50 0 HIAAHN OC[C@@H]1CCCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072474213 558983523 /nfs/dbraw/zinc/98/35/23/558983523.db2.gz UXWKNKHSFQMOHY-OAHLLOKOSA-N 0 3 410.901 4.488 50 0 HIAAHN C[C@@H](NCc1ccccc1N(C)C1CCN(C)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000097165686 558998545 /nfs/dbraw/zinc/99/85/45/558998545.db2.gz AAFXHRCQFMFBQR-QGZVFWFLSA-N 0 3 423.536 4.257 50 0 HIAAHN CN1CCC(CN(CCc2ccccc2)C(=O)c2ccccc2OC(F)F)CC1 ZINC000095509581 559083615 /nfs/dbraw/zinc/08/36/15/559083615.db2.gz UYOKXWOLNRAJAR-UHFFFAOYSA-N 0 3 402.485 4.315 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000100722357 559138448 /nfs/dbraw/zinc/13/84/48/559138448.db2.gz JKBFEHQBJALXIB-BHIFYINESA-N 0 3 402.425 4.185 50 0 HIAAHN O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1ccccc1 ZINC000100722275 559138498 /nfs/dbraw/zinc/13/84/98/559138498.db2.gz HBUUSADWLVKENE-CEXWTWQISA-N 0 3 410.882 4.453 50 0 HIAAHN COc1cc(Br)cc(CNCCCOc2ccccn2)c1OC(C)C ZINC000113396456 559179903 /nfs/dbraw/zinc/17/99/03/559179903.db2.gz APNFCHIEWBBTON-UHFFFAOYSA-N 0 3 409.324 4.199 50 0 HIAAHN Oc1c2c(-c3ccccc3)nn(-c3ccccc3)c2c(O)n1-c1ccccc1Cl ZINC000100735066 559260778 /nfs/dbraw/zinc/26/07/78/559260778.db2.gz AMUMQYGPZWXRAT-FPOVZHCZSA-N 0 3 401.853 4.123 50 0 HIAAHN COCCN(C[C@@H]1CN(Cc2cccs2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248154676 559265714 /nfs/dbraw/zinc/26/57/14/559265714.db2.gz HTQWRLSEVGPVIZ-UGKGYDQZSA-N 0 3 418.578 4.234 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(O)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000135974128 559276455 /nfs/dbraw/zinc/27/64/55/559276455.db2.gz YVHMGXOOHASBAF-PWRODBHTSA-N 0 3 420.852 4.097 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(F)c3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000005501014 560601090 /nfs/dbraw/zinc/60/10/90/560601090.db2.gz PFUFINGZQLOXFT-NJDAHSKKSA-N 0 3 406.388 4.016 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1C ZINC000102663068 560819286 /nfs/dbraw/zinc/81/92/86/560819286.db2.gz AOEICVJWOJBSDO-RJGXRXQPSA-N 0 3 416.452 4.494 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)c(C)c1 ZINC000102663080 560819295 /nfs/dbraw/zinc/81/92/95/560819295.db2.gz KQLJQEYSXFFULJ-RJGXRXQPSA-N 0 3 416.452 4.494 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102705402 560820558 /nfs/dbraw/zinc/82/05/58/560820558.db2.gz GRRKMZLJNJMNDH-QHAWAJNXSA-N 0 3 404.853 4.391 50 0 HIAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000102712009 560822954 /nfs/dbraw/zinc/82/29/54/560822954.db2.gz RUFOYNQSJVCYMU-DNVJHFABSA-N 0 3 414.461 4.006 50 0 HIAAHN CCn1c(C)cc(O)c([C@H](c2ccccn2)N2CCC(Cc3ccccc3)CC2)c1=O ZINC000022697396 568415461 /nfs/dbraw/zinc/41/54/61/568415461.db2.gz LOYKXRPFYRASQW-VWLOTQADSA-N 0 3 417.553 4.321 50 0 HIAAHN CCCc1nn2c(nc(CN(Cc3ccc(OCC)cc3)CC(C)C)cc2=O)s1 ZINC000046032487 568424786 /nfs/dbraw/zinc/42/47/86/568424786.db2.gz NSBFCOVBFVQEEM-UHFFFAOYSA-N 0 3 414.575 4.160 50 0 HIAAHN CCc1ccc(-n2nc(C)c3c2NC(=O)CC3C(=O)c2c(OC)cccc2OC)cc1 ZINC000046057567 568426235 /nfs/dbraw/zinc/42/62/35/568426235.db2.gz HNWPIJHPWWPUDJ-KRWDZBQOSA-N 0 3 419.481 4.069 50 0 HIAAHN Cc1cccc(OCC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000055531324 568489017 /nfs/dbraw/zinc/48/90/17/568489017.db2.gz JWNSEMFKIVQKFX-UHFFFAOYSA-N 0 3 415.537 4.335 50 0 HIAAHN O=c1oc2ccccc2n1CN(CC(F)(F)F)C1CCN(Cc2ccccc2)CC1 ZINC000024974268 568516552 /nfs/dbraw/zinc/51/65/52/568516552.db2.gz RNCCPRLWSQYIDU-UHFFFAOYSA-N 0 3 419.447 4.081 50 0 HIAAHN CC(C)N(Cc1ccc(NC(=O)CSc2nncs2)cc1)C[C@H]1CCCCO1 ZINC000095461569 568620814 /nfs/dbraw/zinc/62/08/14/568620814.db2.gz FTUAVTNXHCSZMV-GOSISDBHSA-N 0 3 420.604 4.048 50 0 HIAAHN CC(C)N(Cc1ccc(NC(=O)CSc2nncs2)cc1)C[C@@H]1CCCCO1 ZINC000095461568 568620900 /nfs/dbraw/zinc/62/09/00/568620900.db2.gz FTUAVTNXHCSZMV-SFHVURJKSA-N 0 3 420.604 4.048 50 0 HIAAHN COc1cc(OC)c(NC(=O)NC[C@@H]2CCN(Cc3ccc(C)cc3)C2)cc1Cl ZINC000020889889 568647808 /nfs/dbraw/zinc/64/78/08/568647808.db2.gz FMUNXLUQSCLFIJ-KRWDZBQOSA-N 0 3 417.937 4.309 50 0 HIAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(F)ccc1Br ZINC000225553372 568650399 /nfs/dbraw/zinc/65/03/99/568650399.db2.gz IJOXLZQWMNLCHG-APWZRJJASA-N 0 3 403.295 4.345 50 0 HIAAHN C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000095945471 568663609 /nfs/dbraw/zinc/66/36/09/568663609.db2.gz OVCPNPRBEQLVDK-NQIIRXRSSA-N 0 3 402.583 4.028 50 0 HIAAHN CC(C)[S@@](=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)cc1 ZINC000225758947 568671855 /nfs/dbraw/zinc/67/18/55/568671855.db2.gz MTFBKAWOTQJTNJ-KPURRNSFSA-N 0 3 412.599 4.233 50 0 HIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000238950802 568727672 /nfs/dbraw/zinc/72/76/72/568727672.db2.gz ZPZGLGQNLNPWBX-NJDAHSKKSA-N 0 3 420.490 4.198 50 0 HIAAHN C[C@H]1CCCCN1CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003063902 568853301 /nfs/dbraw/zinc/85/33/01/568853301.db2.gz QDBQYHHHPMSIHH-WPGBELRESA-N 0 3 421.566 4.376 50 0 HIAAHN Cc1oc(NC(=O)CN[C@H](c2ccc(C(C)C)cc2)C(C)C)c2c1c(C)n[nH]c2=O ZINC000057688714 568858416 /nfs/dbraw/zinc/85/84/16/568858416.db2.gz PXOUPSLIHBTPOL-NRFANRHFSA-N 0 3 410.518 4.182 50 0 HIAAHN COc1ccc(CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1OC ZINC000030988842 568907649 /nfs/dbraw/zinc/90/76/49/568907649.db2.gz MVVXZWSJDNRDLY-SFHVURJKSA-N 0 3 417.575 4.038 50 0 HIAAHN COc1ccc(-c2nc(CC(=O)NC3CCN(Cc4ccccc4)CC3)cs2)cc1 ZINC000008036304 568969822 /nfs/dbraw/zinc/96/98/22/568969822.db2.gz KKHYQIFDBOBCQN-UHFFFAOYSA-N 0 3 421.566 4.142 50 0 HIAAHN CCc1ccc2c(CC(=O)NC[C@H](c3ccc(OC)cc3)N3CCCC3)coc2c1 ZINC000008229572 568983321 /nfs/dbraw/zinc/98/33/21/568983321.db2.gz FKUWITPYZNJJHK-HSZRJFAPSA-N 0 3 406.526 4.500 50 0 HIAAHN Cc1ccc(N2CCN(C[C@H](O)Cn3c4ccccc4c4c3CCCC4)CC2)cc1 ZINC000020472831 569008039 /nfs/dbraw/zinc/00/80/39/569008039.db2.gz FRJDIJHVPUNNDD-QFIPXVFZSA-N 0 3 403.570 4.012 50 0 HIAAHN O=C(NC(c1ccccc1)c1ccccc1)N1CCCN(C2CCSCC2)CC1 ZINC000575618239 569037712 /nfs/dbraw/zinc/03/77/12/569037712.db2.gz UNGURXZGOQTQOI-UHFFFAOYSA-N 0 3 409.599 4.389 50 0 HIAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000035559911 569044925 /nfs/dbraw/zinc/04/49/25/569044925.db2.gz JTQIMXIRPCYUGB-QGZVFWFLSA-N 0 3 410.949 4.342 50 0 HIAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000239403339 569054309 /nfs/dbraw/zinc/05/43/09/569054309.db2.gz RUFOYNQSJVCYMU-XPWALMASSA-N 0 3 414.461 4.006 50 0 HIAAHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc2c1OCCO2 ZINC000064532032 569066068 /nfs/dbraw/zinc/06/60/68/569066068.db2.gz APZXJWMQJWOPSN-UHFFFAOYSA-N 0 3 423.435 4.072 50 0 HIAAHN COc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)Cc2ccccc2)cc1OC ZINC000036096009 569090110 /nfs/dbraw/zinc/09/01/10/569090110.db2.gz RLNAVOMFYCYAKV-QHCPKHFHSA-N 0 3 409.501 4.449 50 0 HIAAHN Cc1ccccc1CN(Cc1ccc2c(c1)OCO2)C[C@@H](O)COCc1ccccc1 ZINC000036104599 569092552 /nfs/dbraw/zinc/09/25/52/569092552.db2.gz SAIRGQWXUIOTKJ-XMMPIXPASA-N 0 3 419.521 4.304 50 0 HIAAHN COc1cccc(Oc2c(CN(C[C@H](C)O)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305450 569129565 /nfs/dbraw/zinc/12/95/65/569129565.db2.gz FYSCYPSUZWJGJB-SFHVURJKSA-N 0 3 409.530 4.479 50 0 HIAAHN CC(C)c1nc2ccc(C(=O)NCCCN3CCN(C4CCCCC4)CC3)cc2o1 ZINC000064968403 569137974 /nfs/dbraw/zinc/13/79/74/569137974.db2.gz IUSPNHIOQPJLQK-UHFFFAOYSA-N 0 3 412.578 4.021 50 0 HIAAHN Cc1c2ccccc2oc1-c1noc(C(=O)NC2CCN(Cc3ccccc3)CC2)n1 ZINC000065009874 569153414 /nfs/dbraw/zinc/15/34/14/569153414.db2.gz JJTLRFYMTGEBED-UHFFFAOYSA-N 0 3 416.481 4.186 50 0 HIAAHN COc1ccc([C@H](NCCCn2cccn2)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606810 569244778 /nfs/dbraw/zinc/24/47/78/569244778.db2.gz QOUREQAGFOXTLT-RTWAWAEBSA-N 0 3 414.550 4.012 50 0 HIAAHN COc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCC(C)CC2)cc1 ZINC000016993877 569270902 /nfs/dbraw/zinc/27/09/02/569270902.db2.gz ZARGHPFYAMMOSH-XMMPIXPASA-N 0 3 422.525 4.334 50 0 HIAAHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000252477925 569288658 /nfs/dbraw/zinc/28/86/58/569288658.db2.gz XVCGPRDEXSZEKB-OXQOHEQNSA-N 0 3 406.448 4.111 50 0 HIAAHN COc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1Br ZINC000007941393 569401848 /nfs/dbraw/zinc/40/18/48/569401848.db2.gz ZFYGINRVCHESLT-UHFFFAOYSA-N 0 3 417.347 4.374 50 0 HIAAHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000078957087 569422148 /nfs/dbraw/zinc/42/21/48/569422148.db2.gz SDLCISJRRDQBBD-HNNXBMFYSA-N 0 3 421.335 4.225 50 0 HIAAHN COc1ccc(CNCCNc2ccc(C(F)(F)F)cn2)cc1Br ZINC000079061136 569426289 /nfs/dbraw/zinc/42/62/89/569426289.db2.gz HQUSUDNYXREKIB-UHFFFAOYSA-N 0 3 404.230 4.073 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)c(C)c2)CC1 ZINC000040116472 571173927 /nfs/dbraw/zinc/17/39/27/571173927.db2.gz GXNABQNIMHVSIQ-UHFFFAOYSA-N 0 3 421.463 4.173 50 0 HIAAHN C[C@@H]1CN(C2CCN(c3ncnc4sc(-c5ccccc5)cc43)CC2)C[C@H](C)O1 ZINC000040135261 571188352 /nfs/dbraw/zinc/18/83/52/571188352.db2.gz YOLYATPFCWUWJN-CALCHBBNSA-N 0 3 408.571 4.436 50 0 HIAAHN CCN(Cc1ccccc1)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000245276331 571222375 /nfs/dbraw/zinc/22/23/75/571222375.db2.gz SUXNLXCDPSSYAD-RTWAWAEBSA-N 0 3 406.979 4.452 50 0 HIAAHN Cc1ccc(C)c2sc(N(C)CC(=O)NC3CCN(Cc4ccccc4)CC3)nc21 ZINC000070973950 571284070 /nfs/dbraw/zinc/28/40/70/571284070.db2.gz MEPRIWLILRTDKX-UHFFFAOYSA-N 0 3 422.598 4.130 50 0 HIAAHN O=C(Nc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1)c1cccs1 ZINC000009950742 571291457 /nfs/dbraw/zinc/29/14/57/571291457.db2.gz VRSAXOSAOXEJOF-FQEVSTJZSA-N 0 3 405.523 4.005 50 0 HIAAHN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccccc1)N(CCCN(C)C)C3=O ZINC000010233074 571297484 /nfs/dbraw/zinc/29/74/84/571297484.db2.gz YGFAWCSPNXWRMY-FQEVSTJZSA-N 0 3 410.901 4.252 50 0 HIAAHN COc1cccc(OC)c1C(=O)NC[C@@H](c1cccc2ccccc21)N1CCCC1 ZINC000010330554 571300529 /nfs/dbraw/zinc/30/05/29/571300529.db2.gz GMEBUEYAHGAWNG-NRFANRHFSA-N 0 3 404.510 4.424 50 0 HIAAHN Cc1cccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N2CCCC2)c1C ZINC000010334165 571300848 /nfs/dbraw/zinc/30/08/48/571300848.db2.gz BLCUJSWQKZXPPY-XMMPIXPASA-N 0 3 415.537 4.348 50 0 HIAAHN Fc1ccc(CN2CCC[C@H](c3ccnc(SCCN4CCCC4)n3)C2)c(F)c1 ZINC000011982715 845845522 /nfs/dbraw/zinc/84/55/22/845845522.db2.gz PIWSIDGLSKJGQY-SFHVURJKSA-N 0 3 418.557 4.322 50 0 HIAAHN O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC12CCN(Cc1ccncc1)CC2 ZINC000012163633 845856791 /nfs/dbraw/zinc/85/67/91/845856791.db2.gz LTDQZFRCAAFXFJ-LJQANCHMSA-N 0 3 403.448 4.019 50 0 HIAAHN COC(=O)c1sc2nc(CN3CCCCCC3)ccc2c1NC(=O)c1ccco1 ZINC000012244012 845861508 /nfs/dbraw/zinc/86/15/08/845861508.db2.gz POOFHTLNAPDERW-UHFFFAOYSA-N 0 3 413.499 4.304 50 0 HIAAHN COc1ccc(CN2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)cc1C ZINC000012584310 845877118 /nfs/dbraw/zinc/87/71/18/845877118.db2.gz FRWDYBOOXBTQOY-UHFFFAOYSA-N 0 3 408.542 4.283 50 0 HIAAHN Cc1ccccc1-c1ccc(CN2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3C)cc1 ZINC000014540752 845956810 /nfs/dbraw/zinc/95/68/10/845956810.db2.gz INJYZYXAPSKBLK-UHFFFAOYSA-N 0 3 405.542 4.299 50 0 HIAAHN O=C(Nc1ccc2c(c1)CN(CCCn1cccn1)CC2)C1(c2ccccc2)CC1 ZINC000019760004 846372156 /nfs/dbraw/zinc/37/21/56/846372156.db2.gz ZCJHKZYZKKVHOD-UHFFFAOYSA-N 0 3 400.526 4.002 50 0 HIAAHN COc1ccccc1N1CCN([C@H]2CCCN(C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000020203259 846382984 /nfs/dbraw/zinc/38/29/84/846382984.db2.gz AQHGNHYAFSNFED-DOHLAZSCSA-N 0 3 409.549 4.134 50 0 HIAAHN Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN2CCC[C@@H](c3nncn3C)C2)o1 ZINC000020513384 846385609 /nfs/dbraw/zinc/38/56/09/846385609.db2.gz QPZYGUAJJFGBKI-QGZVFWFLSA-N 0 3 420.492 4.088 50 0 HIAAHN CCNC(=O)[C@@H]1C[C@@H](NCc2ccccc2Cl)CN1Cc1cccc2ccccc21 ZINC000299801315 854281759 /nfs/dbraw/zinc/28/17/59/854281759.db2.gz ZJBJMRBEKINKGJ-QPPBQGQZSA-N 0 3 421.972 4.362 50 0 HIAAHN Cn1cccc1CN1CC[C@H](Oc2ccccc2-c2nc(-c3ccccc3)no2)C1 ZINC000575314387 948642625 /nfs/dbraw/zinc/64/26/25/948642625.db2.gz JFEHPYYOBRNYRI-FQEVSTJZSA-N 0 3 400.482 4.395 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(Br)s3)cc2C)CC1 ZINC000007990672 132326907 /nfs/dbraw/zinc/32/69/07/132326907.db2.gz ANTKVYWZXWKHFW-UHFFFAOYSA-N 0 3 408.365 4.213 50 0 HIAAHN CCOc1cc(CNC[C@@H](O)c2ccccc2)cc(Br)c1OC(C)C ZINC000040729080 520719721 /nfs/dbraw/zinc/71/97/21/520719721.db2.gz IKIUYABJGCEASU-GOSISDBHSA-N 0 3 408.336 4.458 50 0 HIAAHN CCN(CC)[C@@H](CNC(=O)c1ccc(Cl)cc1N1CCCC1=O)c1ccsc1 ZINC000031984406 520836839 /nfs/dbraw/zinc/83/68/39/520836839.db2.gz XHGUWKCKYLFESD-IBGZPJMESA-N 0 3 419.978 4.341 50 0 HIAAHN Cc1ccccc1COc1ccc(Cl)cc1CNCCCSc1nnnn1C ZINC000040744833 525175845 /nfs/dbraw/zinc/17/58/45/525175845.db2.gz NAEFGMZYSNIPME-UHFFFAOYSA-N 0 3 417.966 4.023 50 0 HIAAHN COc1ccccc1-c1c(C)nn2c1nc(C)cc2N1CCN(C2CCCCC2)CC1 ZINC000005348550 536970351 /nfs/dbraw/zinc/97/03/51/536970351.db2.gz ZGFDBFUDENDVFD-UHFFFAOYSA-N 0 3 419.573 4.476 50 0 HIAAHN O=C(NCc1ccco1)[C@@H]1C[C@@H](c2ccccc2)CN(Cc2ccc(F)c(F)c2)C1 ZINC000034711118 557390351 /nfs/dbraw/zinc/39/03/51/557390351.db2.gz TYWRGVINWJOEPF-WOJBJXKFSA-N 0 3 410.464 4.480 50 0 HIAAHN C[C@H](CN1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1I ZINC000004664849 557578316 /nfs/dbraw/zinc/57/83/16/557578316.db2.gz GFRXZFCEZIIFSF-MELADBBJSA-N 0 3 401.288 4.099 50 0 HIAAHN CCOc1ccc2ccccc2c1CNCCSc1nnnn1-c1ccccc1 ZINC000007540274 557746193 /nfs/dbraw/zinc/74/61/93/557746193.db2.gz RJMPHOOZKRLUPD-UHFFFAOYSA-N 0 3 405.527 4.096 50 0 HIAAHN C/C=C(\C)CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000011782272 558274839 /nfs/dbraw/zinc/27/48/39/558274839.db2.gz CGLNVWWRSCOJHW-YVOIMTDZSA-N 0 3 423.605 4.236 50 0 HIAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCC(F)(F)F ZINC000011817710 558280955 /nfs/dbraw/zinc/28/09/55/558280955.db2.gz AHSOYHPVSVFVCM-GOSISDBHSA-N 0 3 400.485 4.141 50 0 HIAAHN COc1ccc(Br)cc1CN1CCN(CCCc2ccccc2)CC1 ZINC000019831856 558291982 /nfs/dbraw/zinc/29/19/82/558291982.db2.gz NZCMQDWBXILBRQ-UHFFFAOYSA-N 0 3 403.364 4.208 50 0 HIAAHN O=C(CCC1CCN(Cc2ccccc2F)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000011878911 558293415 /nfs/dbraw/zinc/29/34/15/558293415.db2.gz MNAWKCDGDLOPET-XMMPIXPASA-N 0 3 423.576 4.209 50 0 HIAAHN Cc1ccc(CN(C)Cc2ccc(OC[C@H](O)CN(C)Cc3ccccc3)cc2)o1 ZINC000011997737 558307239 /nfs/dbraw/zinc/30/72/39/558307239.db2.gz MRVWJWWZOXIDKV-HSZRJFAPSA-N 0 3 408.542 4.092 50 0 HIAAHN CCc1ccc(CN2CCC(Oc3cc(C(=O)NC4CC4)ccc3OC)CC2)cc1 ZINC000012021911 558309487 /nfs/dbraw/zinc/30/94/87/558309487.db2.gz BVQFANAMKZOEBJ-UHFFFAOYSA-N 0 3 408.542 4.193 50 0 HIAAHN CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(Cc2ccc(COC)o2)C1 ZINC000012029108 558310636 /nfs/dbraw/zinc/31/06/36/558310636.db2.gz MUHPIYCLCRTNJM-QHCPKHFHSA-N 0 3 401.503 4.040 50 0 HIAAHN Cc1cc(CN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)cc(C)c1O ZINC000012057428 558316403 /nfs/dbraw/zinc/31/64/03/558316403.db2.gz UOLHDCATKLVAEK-UHFFFAOYSA-N 0 3 418.541 4.224 50 0 HIAAHN CSCCC(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000012089950 558324014 /nfs/dbraw/zinc/32/40/14/558324014.db2.gz ZKSRXANGAASQME-UHFFFAOYSA-N 0 3 402.526 4.171 50 0 HIAAHN COc1ccc(-c2n[nH]cc2CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000012196559 558349792 /nfs/dbraw/zinc/34/97/92/558349792.db2.gz JCAYFPQDTGTLFQ-XMMPIXPASA-N 0 3 409.505 4.042 50 0 HIAAHN FC(F)(F)c1ccccc1CN1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020449301 558364648 /nfs/dbraw/zinc/36/46/48/558364648.db2.gz AYORWNBJHCSFHE-OAQYLSRUSA-N 0 3 403.492 4.492 50 0 HIAAHN CN(CCCN1CCOCC1)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000020449753 558364795 /nfs/dbraw/zinc/36/47/95/558364795.db2.gz ZVYQQGAICCFFCL-UHFFFAOYSA-N 0 3 420.557 4.034 50 0 HIAAHN COc1ccc(CCN(C)[C@@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)cc1OC ZINC000020452665 558366808 /nfs/dbraw/zinc/36/68/08/558366808.db2.gz MEQOYFMAOGYJMQ-HSZRJFAPSA-N 0 3 410.558 4.045 50 0 HIAAHN O=C(CCC1CCN(Cc2ccncc2)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000012315461 558378819 /nfs/dbraw/zinc/37/88/19/558378819.db2.gz HZDZZXMIWYVOMK-UHFFFAOYSA-N 0 3 405.464 4.409 50 0 HIAAHN O=C(c1cn(CN2CCCC2)c2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020647467 558397375 /nfs/dbraw/zinc/39/73/75/558397375.db2.gz AJEVIIWVEUYZTB-UHFFFAOYSA-N 0 3 422.960 4.310 50 0 HIAAHN CCOC(=O)N1CCC(N2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000012437536 558409328 /nfs/dbraw/zinc/40/93/28/558409328.db2.gz SZUBPVXREJAAFS-LJQANCHMSA-N 0 3 400.563 4.500 50 0 HIAAHN COc1cc(CNCCCN2CCOCC2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874950 558418863 /nfs/dbraw/zinc/41/88/63/558418863.db2.gz RCRVFTILCYELKJ-UHFFFAOYSA-N 0 3 418.965 4.048 50 0 HIAAHN CN(C[C@@H]1CCCN(CCc2ccc(F)cc2)C1)C(=O)c1cc2ccccc2cn1 ZINC000012472562 558422374 /nfs/dbraw/zinc/42/23/74/558422374.db2.gz VPJKJGUDHNQASZ-FQEVSTJZSA-N 0 3 405.517 4.401 50 0 HIAAHN O=C(CCC1CCN(Cc2ccc3nsnc3c2)CC1)N1CCc2ccccc2C1 ZINC000012481687 558423485 /nfs/dbraw/zinc/42/34/85/558423485.db2.gz BEAVUMWEZNPKEK-UHFFFAOYSA-N 0 3 420.582 4.268 50 0 HIAAHN COCCNC(=O)c1ccc(OC2CCN(Cc3ccc(C)cc3)CC2)c(Cl)c1 ZINC000012584183 558433652 /nfs/dbraw/zinc/43/36/52/558433652.db2.gz VFRPMHUSZRMEJM-UHFFFAOYSA-N 0 3 416.949 4.068 50 0 HIAAHN CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1cnc2ccccc2c1 ZINC000012587809 558434690 /nfs/dbraw/zinc/43/46/90/558434690.db2.gz QHOHUAXLELBICQ-LJQANCHMSA-N 0 3 405.517 4.401 50 0 HIAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)CC1=CCCCC1 ZINC000012595558 558437738 /nfs/dbraw/zinc/43/77/38/558437738.db2.gz KCXZDOUNHROXAP-UHFFFAOYSA-N 0 3 414.590 4.273 50 0 HIAAHN CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2ccc(C)s2)CC1)c1ccccc1 ZINC000012702631 558448148 /nfs/dbraw/zinc/44/81/48/558448148.db2.gz YSPIPOZSDNSVHD-JOCHJYFZSA-N 0 3 424.570 4.416 50 0 HIAAHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CC3=CCCCC3)C2)cc1OC ZINC000012704967 558449574 /nfs/dbraw/zinc/44/95/74/558449574.db2.gz LLYQJPXQJBVJER-OAQYLSRUSA-N 0 3 400.563 4.060 50 0 HIAAHN CCN1CCC(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000022238135 558471183 /nfs/dbraw/zinc/47/11/83/558471183.db2.gz OSQLFDWUNLFBJB-UHFFFAOYSA-N 0 3 422.960 4.336 50 0 HIAAHN c1nc(CCNCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cs1 ZINC000012836776 558478321 /nfs/dbraw/zinc/47/83/21/558478321.db2.gz KGQXWNDLPJGAJS-UHFFFAOYSA-N 0 3 404.495 4.057 50 0 HIAAHN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000013069462 558510941 /nfs/dbraw/zinc/51/09/41/558510941.db2.gz LFCMDTGUBDFYED-KSZLIROESA-N 0 3 409.530 4.252 50 0 HIAAHN COc1ccc([C@H](CNCc2c(OC)ccc3ccccc32)N2CCOCC2)cc1 ZINC000022789491 558511840 /nfs/dbraw/zinc/51/18/40/558511840.db2.gz KKMDUZPGNKSCLD-DEOSSOPVSA-N 0 3 406.526 4.020 50 0 HIAAHN CN(C)CCNCc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000022937210 558527394 /nfs/dbraw/zinc/52/73/94/558527394.db2.gz PRXBRQJHRKIYJD-UHFFFAOYSA-N 0 3 402.130 4.123 50 0 HIAAHN O=C(c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21)N1CCN2CCC[C@H]2C1 ZINC000013641678 558555715 /nfs/dbraw/zinc/55/57/15/558555715.db2.gz RZMWZGIFTOTZFF-KRWDZBQOSA-N 0 3 414.465 4.070 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000013662036 558559939 /nfs/dbraw/zinc/55/99/39/558559939.db2.gz GZHKIWXLDRAFST-QHAWAJNXSA-N 0 3 420.852 4.097 50 0 HIAAHN Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(Cc2cccc(OCCO)c2)C1 ZINC000014948375 558680366 /nfs/dbraw/zinc/68/03/66/558680366.db2.gz OURBPVDLSMVQQP-LJQANCHMSA-N 0 3 414.521 4.136 50 0 HIAAHN CCN(Cc1ccccc1)Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000014951560 558681306 /nfs/dbraw/zinc/68/13/06/558681306.db2.gz PAMDDSIINGTGJC-DEOSSOPVSA-N 0 3 415.537 4.204 50 0 HIAAHN O=C(NCc1ccco1)[C@H]1CC12CCN(Cc1cnc(-c3ccccc3)s1)CC2 ZINC000014972901 558688130 /nfs/dbraw/zinc/68/81/30/558688130.db2.gz VEYUPGOKUZOIBL-HXUWFJFHSA-N 0 3 407.539 4.322 50 0 HIAAHN COc1ccc(CN2CCN([C@@H](C)Cc3cccc(C(F)(F)F)c3)CCC2=O)cc1 ZINC000014994214 558695505 /nfs/dbraw/zinc/69/55/05/558695505.db2.gz NSEVHBIETVSHAG-KRWDZBQOSA-N 0 3 420.475 4.380 50 0 HIAAHN COc1cc(CN(C)C(=O)CN([C@H](C)C2CC2)C2CC2)ccc1OCc1ccccc1 ZINC000029725481 558719117 /nfs/dbraw/zinc/71/91/17/558719117.db2.gz ZTQIWKUZELCGLF-LJQANCHMSA-N 0 3 422.569 4.496 50 0 HIAAHN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccccc1)C1CC1 ZINC000072304022 558756731 /nfs/dbraw/zinc/75/67/31/558756731.db2.gz AGTRLWRJMASONC-GOTSBHOMSA-N 0 3 410.558 4.148 50 0 HIAAHN CCOc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCCCC2)cc1 ZINC000013810620 558884341 /nfs/dbraw/zinc/88/43/41/558884341.db2.gz SKBOWHGJCLLDQF-DEOSSOPVSA-N 0 3 422.525 4.478 50 0 aggregator HIAAHN CCCN1CCN(c2ncnc3sc(C(=O)Nc4cc(C)ccc4C)c(C)c32)CC1 ZINC000033048433 558885868 /nfs/dbraw/zinc/88/58/68/558885868.db2.gz RMGHIUJZSRZPFG-UHFFFAOYSA-N 0 3 423.586 4.401 50 0 HIAAHN CSc1ncccc1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000058138755 558901270 /nfs/dbraw/zinc/90/12/70/558901270.db2.gz YIJZTFJWKMPWFT-UHFFFAOYSA-N 0 3 418.566 4.378 50 0 HIAAHN O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000060374039 558941857 /nfs/dbraw/zinc/94/18/57/558941857.db2.gz AKFWBXJNHKHQAK-GOSISDBHSA-N 0 3 418.463 4.079 50 0 HIAAHN Fc1ccccc1N1CCN([C@H]2CCCN(Cc3cccc4cccnc43)C2)CC1 ZINC000019637755 558947392 /nfs/dbraw/zinc/94/73/92/558947392.db2.gz WKHLIIHWSNWVII-QFIPXVFZSA-N 0 3 404.533 4.161 50 0 HIAAHN C[C@@H]1CN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CCN1C ZINC000072453565 558982878 /nfs/dbraw/zinc/98/28/78/558982878.db2.gz ISKUQQUIRCNTKA-OAHLLOKOSA-N 0 3 409.917 4.420 50 0 HIAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC[C@@H]2CCO)cc1F ZINC000072463114 558983177 /nfs/dbraw/zinc/98/31/77/558983177.db2.gz FLPQFXLIZIMIOW-HXUWFJFHSA-N 0 3 409.505 4.342 50 0 HIAAHN Cc1ccc(Oc2nccnc2Sc2ccccc2C(=O)NCCN(C)C)cc1 ZINC000033289204 559044561 /nfs/dbraw/zinc/04/45/61/559044561.db2.gz SXQFJLKOHNDRQZ-UHFFFAOYSA-N 0 3 408.527 4.020 50 0 HIAAHN O=C(NC[C@@H](c1ccccc1)N1CCCCCC1)c1cc(-c2ccc(O)cc2)n[nH]1 ZINC000091997960 559075002 /nfs/dbraw/zinc/07/50/02/559075002.db2.gz SZTLQEIVYGIYIB-QHCPKHFHSA-N 0 3 404.514 4.129 50 0 HIAAHN Cc1cc(CN(C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)on1 ZINC000095502634 559082649 /nfs/dbraw/zinc/08/26/49/559082649.db2.gz HBHAXFXWADODLQ-NRFANRHFSA-N 0 3 401.526 4.015 50 0 HIAAHN CCc1ccc(-c2noc(CCC(=O)NC[C@H](c3ccccc3)N3CCCC3)n2)cc1 ZINC000023742559 559179637 /nfs/dbraw/zinc/17/96/37/559179637.db2.gz KRQVRISDORNHBC-JOCHJYFZSA-N 0 3 418.541 4.185 50 0 HIAAHN CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000004863235 559193297 /nfs/dbraw/zinc/19/32/97/559193297.db2.gz MAJDYENNHADPAW-LJQANCHMSA-N 0 3 412.331 4.415 50 0 HIAAHN CN(C)CCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000004898666 559199083 /nfs/dbraw/zinc/19/90/83/559199083.db2.gz WNEBAHSQDMUJBG-UHFFFAOYSA-N 0 3 423.542 4.324 50 0 HIAAHN CCN1CCC[C@H]1CNC(=O)CSc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000004901499 559199873 /nfs/dbraw/zinc/19/98/73/559199873.db2.gz DMCSEYANCVHVBW-INIZCTEOSA-N 0 3 418.006 4.460 50 0 HIAAHN Cc1c(Cl)ccc2c(C(=O)NCCN3CCCCC3)cc(-c3ccccn3)nc12 ZINC000005048722 559237016 /nfs/dbraw/zinc/23/70/16/559237016.db2.gz UYRGDWPZKLPRRE-UHFFFAOYSA-N 0 3 408.933 4.474 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3F)[C@H]2C(=O)N1c1cccc(F)c1 ZINC000017747584 560725356 /nfs/dbraw/zinc/72/53/56/560725356.db2.gz NBHWJPUIBACJGY-QHAWAJNXSA-N 0 3 406.388 4.016 50 0 HIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4C)[C@@H](c4cccs4)[C@H]3C2=O)c1 ZINC000017994447 560733557 /nfs/dbraw/zinc/73/35/57/560733557.db2.gz OQMSVMBTGWOPNJ-QHAWAJNXSA-N 0 3 420.490 4.116 50 0 HIAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C1=O ZINC000102729728 560822256 /nfs/dbraw/zinc/82/22/56/560822256.db2.gz FVYSIYMSOZLWHG-BHIFYINESA-N 0 3 402.425 4.185 50 0 HIAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cccnc3)[C@@H]2C1=O ZINC000102734129 560822708 /nfs/dbraw/zinc/82/27/08/560822708.db2.gz TXGUTMNUCUJRAZ-PWRODBHTSA-N 0 3 419.868 4.095 50 0 HIAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000102712006 560822948 /nfs/dbraw/zinc/82/29/48/560822948.db2.gz RUFOYNQSJVCYMU-YTFSRNRJSA-N 0 3 414.461 4.006 50 0 HIAAHN Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)C2ON1c1ccccc1 ZINC000102756894 560825972 /nfs/dbraw/zinc/82/59/72/560825972.db2.gz ILPVRDSCXQFLTK-YPAWHYETSA-N 0 3 402.425 4.185 50 0 HIAAHN COc1cccc(OC)c1C(=O)C1CC(=O)Nc2c1c(C)nn2-c1ccc(C)c(C)c1 ZINC000046056784 568426090 /nfs/dbraw/zinc/42/60/90/568426090.db2.gz DQUGFFDCXAQTPY-KRWDZBQOSA-N 0 3 419.481 4.123 50 0 HIAAHN COc1cccc(OC)c1C(=O)C1CC(=O)Nc2c1c(C)nn2-c1ccc(C)c(C)c1 ZINC000046056781 568426112 /nfs/dbraw/zinc/42/61/12/568426112.db2.gz DQUGFFDCXAQTPY-QGZVFWFLSA-N 0 3 419.481 4.123 50 0 HIAAHN CCc1ccc(CN2CCC(C(=O)N(C)CCc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000000778810 568473822 /nfs/dbraw/zinc/47/38/22/568473822.db2.gz DHAKLTFTVJXEHQ-UHFFFAOYSA-N 0 3 424.585 4.179 50 0 HIAAHN CN1CCC(NC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)CC1 ZINC000095365127 568601980 /nfs/dbraw/zinc/60/19/80/568601980.db2.gz UOSYTTUNZRQZDV-LJQANCHMSA-N 0 3 420.326 4.071 50 0 HIAAHN O=C(c1cccc(N[C@H]2CCCN(Cc3ccccc3)C2)c1)N1CCCC[C@@H]1CCO ZINC000095457155 568618026 /nfs/dbraw/zinc/61/80/26/568618026.db2.gz OHEWWTSYTUCAFM-LOSJGSFVSA-N 0 3 421.585 4.140 50 0 HIAAHN CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CN1CCN(Cc2ccccc2)CC1 ZINC000020612433 568637535 /nfs/dbraw/zinc/63/75/35/568637535.db2.gz AZCJOSWXMWVFEY-HLMLHLEXSA-N 0 3 408.586 4.263 50 0 HIAAHN O=C(CCNCc1cc2ccccc2nc1N1CCCCC1)NCc1ccccc1 ZINC000095938986 568661335 /nfs/dbraw/zinc/66/13/35/568661335.db2.gz NYHNKRCEVGZUMN-UHFFFAOYSA-N 0 3 402.542 4.021 50 0 HIAAHN CCOC(=O)/C=C\c1ccc(NC(=O)N2CCCN(Cc3ccccc3C)CC2)cc1 ZINC000096102412 568691580 /nfs/dbraw/zinc/69/15/80/568691580.db2.gz JHTFITXLDZPVDA-KAMYIIQDSA-N 0 3 421.541 4.311 50 0 HIAAHN CCN(CC)[C@@H](CNC(=O)/C=C\c1c(C)nc2sc(C)cn12)c1ccsc1 ZINC000096130024 568701970 /nfs/dbraw/zinc/70/19/70/568701970.db2.gz LDXMHBLERWMAHX-ZEVQVBBLSA-N 0 3 402.589 4.287 50 0 HIAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4C)[C@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000229969057 568716284 /nfs/dbraw/zinc/71/62/84/568716284.db2.gz LTLGWXSSEIRPKA-PWRODBHTSA-N 0 3 404.491 4.416 50 0 HIAAHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1cn2cc(Cl)cc(Cl)c2n1 ZINC000241231091 568730889 /nfs/dbraw/zinc/73/08/89/568730889.db2.gz KRVZTXPWPJALAL-MLGOLLRUSA-N 0 3 413.349 4.376 50 0 HIAAHN COc1ccccc1-c1noc2ncnc(NC3CCN(Cc4ccccc4)CC3)c21 ZINC000021715040 568749122 /nfs/dbraw/zinc/74/91/22/568749122.db2.gz LGFGJIRBVFAFMG-UHFFFAOYSA-N 0 3 415.497 4.370 50 0 HIAAHN COc1ccc2ccccc2c1CCC(=O)N1CC[C@H](N2CCc3ccccc3C2)C1 ZINC000225685805 568778871 /nfs/dbraw/zinc/77/88/71/568778871.db2.gz QHPCMXXFBZVXGC-QHCPKHFHSA-N 0 3 414.549 4.440 50 0 HIAAHN COc1ccc(C[C@H](NCC(=O)N2CCc3ccccc32)c2ccc(OC)cc2)cc1 ZINC000057292100 568826244 /nfs/dbraw/zinc/82/62/44/568826244.db2.gz BDYCLPYMSRRQRP-DEOSSOPVSA-N 0 3 416.521 4.167 50 0 HIAAHN COc1ccc(NC(C)=O)cc1NC(=O)CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000057407754 568832895 /nfs/dbraw/zinc/83/28/95/568832895.db2.gz GRHWDTHJPQSVCU-NRFANRHFSA-N 0 3 403.910 4.232 50 0 HIAAHN CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C)o2)nc1C ZINC000003643219 568865725 /nfs/dbraw/zinc/86/57/25/568865725.db2.gz ZEYWABZRACPDAV-KRWDZBQOSA-N 0 3 420.446 4.412 50 0 HIAAHN CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C)o2)nc1C ZINC000003643222 568865730 /nfs/dbraw/zinc/86/57/30/568865730.db2.gz ZEYWABZRACPDAV-QGZVFWFLSA-N 0 3 420.446 4.412 50 0 HIAAHN Cn1ccnc1[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(F)cc1 ZINC000012604475 568870748 /nfs/dbraw/zinc/87/07/48/568870748.db2.gz ZNXIAFPARHKGBB-QFIPXVFZSA-N 0 3 406.505 4.065 50 0 HIAAHN O=C(CNC(c1ccccc1)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000058172476 568896262 /nfs/dbraw/zinc/89/62/62/568896262.db2.gz OEHLYCRBMCOAGU-UHFFFAOYSA-N 0 3 413.565 4.146 50 0 HIAAHN CCN1C[C@@H](CN(C)Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CC1=O ZINC000012717474 568918100 /nfs/dbraw/zinc/91/81/00/568918100.db2.gz JHWQMNBODWCIEA-LJQANCHMSA-N 0 3 420.532 4.287 50 0 HIAAHN CCCc1ccc([C@@H](NCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(C)C)cc1 ZINC000084758990 568958404 /nfs/dbraw/zinc/95/84/04/568958404.db2.gz PXJVYENODMEHAZ-QFIPXVFZSA-N 0 3 420.550 4.107 50 0 HIAAHN CCN1CCC(N(Cc2cccs2)C(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000015679769 568966905 /nfs/dbraw/zinc/96/69/05/568966905.db2.gz NQBGSSVJASLNJR-UHFFFAOYSA-N 0 3 403.548 4.284 50 0 HIAAHN CC(C)[C@@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1 ZINC000008003137 568967794 /nfs/dbraw/zinc/96/77/94/568967794.db2.gz GXLVOQKMKJVPGF-HXUWFJFHSA-N 0 3 417.435 4.212 50 0 HIAAHN CC(C)CC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000035107864 568992094 /nfs/dbraw/zinc/99/20/94/568992094.db2.gz DOFKULVNRMZKAN-SIKLNZKXSA-N 0 3 423.605 4.101 50 0 HIAAHN O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCC([C@H](O)c2ccccc2)CC1 ZINC000012892559 569020251 /nfs/dbraw/zinc/02/02/51/569020251.db2.gz PJCRBDSQOQMWGE-WIYYLYMNSA-N 0 3 410.341 4.179 50 0 HIAAHN C[C@H](N[C@@H](C)c1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012918859 569022760 /nfs/dbraw/zinc/02/27/60/569022760.db2.gz FHHRRKLWAQTGMQ-ROUUACIJSA-N 0 3 402.494 4.438 50 0 HIAAHN COc1ccc(OCCN[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000016047200 569028324 /nfs/dbraw/zinc/02/83/24/569028324.db2.gz BPLIUYUPSGGOIT-KGLIPLIRSA-N 0 3 411.329 4.236 50 0 HIAAHN COc1ccc(CNC(=O)NC[C@@H](c2csc3ccccc32)N(C)C)cc1OC ZINC000575621503 569039045 /nfs/dbraw/zinc/03/90/45/569039045.db2.gz OWYFQDVLVKSOPL-SFHVURJKSA-N 0 3 413.543 4.021 50 0 HIAAHN CCS[C@@H]1CC[C@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000229333116 569040500 /nfs/dbraw/zinc/04/05/00/569040500.db2.gz GLIYGQSVFUSNAY-YQVWRLOYSA-N 0 3 400.510 4.231 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000245239889 569055275 /nfs/dbraw/zinc/05/52/75/569055275.db2.gz GRRKMZLJNJMNDH-NJDAHSKKSA-N 0 3 404.853 4.391 50 0 HIAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C1=O ZINC000245256112 569055504 /nfs/dbraw/zinc/05/55/04/569055504.db2.gz NSWXOHWQFKYLJZ-DNVJHFABSA-N 0 3 414.461 4.136 50 0 HIAAHN Cc1ccc(CN(C[C@H](O)COc2ccc(Cl)cc2)C[C@@H]2CCCO2)c(C)c1 ZINC000036031372 569080965 /nfs/dbraw/zinc/08/09/65/569080965.db2.gz KMJNBVKULZSWQF-GMAHTHKFSA-N 0 3 403.950 4.378 50 0 HIAAHN Cc1ccccc1CN(Cc1nc(C(=O)NCCN(C)C)co1)[C@@H](C)c1ccccc1 ZINC000036073530 569086864 /nfs/dbraw/zinc/08/68/64/569086864.db2.gz IKHMXISKQGONBG-FQEVSTJZSA-N 0 3 420.557 4.038 50 0 HIAAHN COc1ccc(OC[C@H](O)CN(CCC(C)C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000036096134 569090326 /nfs/dbraw/zinc/09/03/26/569090326.db2.gz HCGUYNJNVZXKLS-HXUWFJFHSA-N 0 3 417.546 4.000 50 0 HIAAHN COc1ccc(OC[C@H](O)CN(Cc2ccccc2)Cc2cccc(OC)c2)cc1 ZINC000036098276 569090721 /nfs/dbraw/zinc/09/07/21/569090721.db2.gz MXLCNCKRBULVJW-JOCHJYFZSA-N 0 3 407.510 4.146 50 0 HIAAHN O=C(C[C@H](c1c[nH]c2ccccc21)c1ccc2c(c1)OCO2)NCCN1CCCCC1 ZINC000006704571 569094560 /nfs/dbraw/zinc/09/45/60/569094560.db2.gz HTQTZBLQPJBDLX-FQEVSTJZSA-N 0 3 419.525 4.021 50 0 HIAAHN O[C@H](Cc1ccccc1)CN(Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146234 569098648 /nfs/dbraw/zinc/09/86/48/569098648.db2.gz HJZYRRJFNFLEPM-PKTZIBPZSA-N 0 3 418.512 4.425 50 0 HIAAHN CCCN(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C[C@H](O)COCC ZINC000036249886 569119207 /nfs/dbraw/zinc/11/92/07/569119207.db2.gz BSYABDWUJIVZCQ-NRFANRHFSA-N 0 3 415.578 4.187 50 0 HIAAHN COc1ccc(CN(C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)cc1OC ZINC000006790336 569124187 /nfs/dbraw/zinc/12/41/87/569124187.db2.gz IFTXFDOVSCKHCK-QFIPXVFZSA-N 0 3 407.510 4.243 50 0 HIAAHN O=C(NCCN1CCCCCC1)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1 ZINC000064989520 569145987 /nfs/dbraw/zinc/14/59/87/569145987.db2.gz WADKLPONJFMCFV-UHFFFAOYSA-N 0 3 421.589 4.494 50 0 HIAAHN CCOC(=O)c1ccccc1NC(=O)N1CCC[C@@H](CN2CCc3ccccc3C2)C1 ZINC000006877390 569164313 /nfs/dbraw/zinc/16/43/13/569164313.db2.gz WYKSEOCUVNJMSC-IBGZPJMESA-N 0 3 421.541 4.166 50 0 HIAAHN Cc1ccccc1[S@](=O)Cc1ccc(C(=O)NCCCN(C)Cc2ccccc2)o1 ZINC000006895397 569175265 /nfs/dbraw/zinc/17/52/65/569175265.db2.gz CIMYGFZMZNVGLL-PMERELPUSA-N 0 3 424.566 4.148 50 0 HIAAHN CCCCN(CC)CCNC(=O)c1ccc(C[S@@](=O)c2ccc(Cl)cc2)o1 ZINC000006895574 569175366 /nfs/dbraw/zinc/17/53/66/569175366.db2.gz XSMBXBMIXDGQBO-MHZLTWQESA-N 0 3 410.967 4.093 50 0 HIAAHN CCc1nc2cccnc2n1-c1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000006900733 569177681 /nfs/dbraw/zinc/17/76/81/569177681.db2.gz AJIGJMKQMPEYHW-UHFFFAOYSA-N 0 3 417.557 4.073 50 0 HIAAHN O=C(NCc1ccccc1CN1CCC[C@@H]1CO)Nc1ccc(-c2nccs2)cc1 ZINC000170593780 569241288 /nfs/dbraw/zinc/24/12/88/569241288.db2.gz IJJYTMSWFRMWLT-OAQYLSRUSA-N 0 3 422.554 4.089 50 0 HIAAHN COc1ccc([C@H](NCCCn2cccn2)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606811 569244785 /nfs/dbraw/zinc/24/47/85/569244785.db2.gz QOUREQAGFOXTLT-SFTDATJTSA-N 0 3 414.550 4.012 50 0 HIAAHN COc1cccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCCCC2)c1 ZINC000016993919 569270823 /nfs/dbraw/zinc/27/08/23/569270823.db2.gz CYYVXLKZTDFAMN-HSZRJFAPSA-N 0 3 408.498 4.088 50 0 HIAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(Cn2nc(C)cc2C)c1 ZINC000002126364 569286199 /nfs/dbraw/zinc/28/61/99/569286199.db2.gz KOTONNGISRFNAM-DEOSSOPVSA-N 0 3 416.525 4.282 50 0 biogenic HIAAHN CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000002234988 569321246 /nfs/dbraw/zinc/32/12/46/569321246.db2.gz XSRQIMOQWLNYJS-JOCHJYFZSA-N 0 3 420.509 4.079 50 0 HIAAHN CCN1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccc(Cl)cc1 ZINC000002693636 569322313 /nfs/dbraw/zinc/32/23/13/569322313.db2.gz BXWSENGQMIMDOB-UHFFFAOYSA-N 0 3 411.958 4.425 50 0 HIAAHN O=C(CCN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)N1CCc2ccccc2C1 ZINC000253427887 569368461 /nfs/dbraw/zinc/36/84/61/569368461.db2.gz HCYNKYSRQPYSND-NRFANRHFSA-N 0 3 408.933 4.328 50 0 HIAAHN CC(C)Oc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000002407615 569396342 /nfs/dbraw/zinc/39/63/42/569396342.db2.gz PWYRQABEYQWKPH-QFIPXVFZSA-N 0 3 420.509 4.077 50 0 HIAAHN O=C(Cn1nc(-c2ccccc2)c2ccccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000013369554 569412687 /nfs/dbraw/zinc/41/26/87/569412687.db2.gz DMLWJTSNXMMSBA-UHFFFAOYSA-N 0 3 424.548 4.484 50 0 HIAAHN FC(F)(F)c1ccc(NCCNCc2ccccc2OCc2cccnc2)nc1 ZINC000079061140 569426328 /nfs/dbraw/zinc/42/63/28/569426328.db2.gz XSOONZPONNOFFO-UHFFFAOYSA-N 0 3 402.420 4.276 50 0 HIAAHN COc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)N(C)C)cc1 ZINC000008749006 571111574 /nfs/dbraw/zinc/11/15/74/571111574.db2.gz IZXKBMKCZBSJGM-HXUWFJFHSA-N 0 3 423.538 4.042 50 0 HIAAHN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCN(C)C)occ3-c1ccccc1 ZINC000008879593 571131098 /nfs/dbraw/zinc/13/10/98/571131098.db2.gz BZQIPTWGEDHOTG-UHFFFAOYSA-N 0 3 418.493 4.125 50 0 HIAAHN CCN(CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000009328283 571248337 /nfs/dbraw/zinc/24/83/37/571248337.db2.gz HNBJRZWZNGITGH-QFIPXVFZSA-N 0 3 422.500 4.436 50 0 HIAAHN Cc1ccc(Nc2nc(NCCN(C)C)nc3c2cnn3-c2ccccc2)cc1C ZINC000009573527 571269373 /nfs/dbraw/zinc/26/93/73/571269373.db2.gz UPAZOMJFUXPAJI-UHFFFAOYSA-N 0 3 401.518 4.149 50 0 HIAAHN Cc1ccc(CN2CCC(CNC(=O)c3noc4c3CCc3sccc3-4)CC2)cc1 ZINC000009642651 571275911 /nfs/dbraw/zinc/27/59/11/571275911.db2.gz LJGMWRAZGKYTQL-UHFFFAOYSA-N 0 3 421.566 4.452 50 0 HIAAHN O=C(CC[C@H]1CCCN(Cc2cccn2-c2cccnc2)C1)NCc1ccccc1F ZINC000011820616 845837201 /nfs/dbraw/zinc/83/72/01/845837201.db2.gz JGLZTFNAPGOMDW-HXUWFJFHSA-N 0 3 420.532 4.320 50 0 HIAAHN O=C(Nc1ccnn1C1CCN(Cc2ccc(OC(F)F)cc2)CC1)C1CCCC1 ZINC000012386980 845869413 /nfs/dbraw/zinc/86/94/13/845869413.db2.gz IPBGOGJVRVDOMV-UHFFFAOYSA-N 0 3 418.488 4.450 50 0 HIAAHN COc1cc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)ccc1OC1CCN(C)CC1 ZINC000012753966 845888649 /nfs/dbraw/zinc/88/86/49/845888649.db2.gz RUJPBHJINQWATK-UHFFFAOYSA-N 0 3 424.516 4.237 50 0 HIAAHN Fc1cccc2ccc(CN3CCC[C@@H](N4CCN(c5ccccc5)CC4)C3)nc12 ZINC000019800210 846372987 /nfs/dbraw/zinc/37/29/87/846372987.db2.gz UQIFHKOXXRJBKL-HSZRJFAPSA-N 0 3 404.533 4.161 50 0 HIAAHN COc1ccc(C(=O)N2CCC(N3CC4(CCCCC4)[C@@H]3c3ccncc3)CC2)cn1 ZINC000575317522 948644093 /nfs/dbraw/zinc/64/40/93/948644093.db2.gz WNGVLOHYTNZGBM-QHCPKHFHSA-N 0 3 420.557 4.097 50 0 HIAAHN O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000000705435 132231069 /nfs/dbraw/zinc/23/10/69/132231069.db2.gz JDXXSQANIQRGPD-UHFFFAOYSA-N 0 3 415.537 4.416 50 0 aggregator HIAAHN CCN1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(OC)cc2)CC1 ZINC000004658122 132281057 /nfs/dbraw/zinc/28/10/57/132281057.db2.gz RPVYPRGIMFSXSN-UHFFFAOYSA-N 0 3 413.525 4.238 50 0 HIAAHN CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)CCS2 ZINC000004908328 132293233 /nfs/dbraw/zinc/29/32/33/132293233.db2.gz HUWFSKQRTGZECK-NRFANRHFSA-N 0 3 409.599 4.321 50 0 HIAAHN CC(=O)Nc1ccc2c(CN[C@@H](c3ccc4c(c3)OCCO4)C(C)C)cc(=O)oc2c1 ZINC000032759533 519734563 /nfs/dbraw/zinc/73/45/63/519734563.db2.gz YPHJMUCCQOOMKE-XMMPIXPASA-N 0 3 422.481 4.010 50 0 HIAAHN CC(C)c1ccc(S(=O)(=O)NC2CCN(CCCc3ccccc3)CC2)cc1 ZINC000032916493 519838559 /nfs/dbraw/zinc/83/85/59/519838559.db2.gz WUDUBURTMICMCX-UHFFFAOYSA-N 0 3 400.588 4.186 50 0 HIAAHN CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Br)c1OC(C)C ZINC000040729078 520719709 /nfs/dbraw/zinc/71/97/09/520719709.db2.gz IKIUYABJGCEASU-SFHVURJKSA-N 0 3 408.336 4.458 50 0 HIAAHN O=C(N[C@H](c1cccs1)c1ccc(F)cc1)C1CCN(Cc2ccncc2)CC1 ZINC000032922034 527010896 /nfs/dbraw/zinc/01/08/96/527010896.db2.gz RZCXVXVCZIWRRH-QFIPXVFZSA-N 0 3 409.530 4.400 50 0 HIAAHN Cc1nc2cccnc2n1-c1cc(C(=O)N2CCN(C3CCCCC3)CC2)ccc1C ZINC000032931980 527181048 /nfs/dbraw/zinc/18/10/48/527181048.db2.gz UJJINQYSCUDAIZ-UHFFFAOYSA-N 0 3 417.557 4.128 50 0 HIAAHN OCCCCNCc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000040744194 527537324 /nfs/dbraw/zinc/53/73/24/527537324.db2.gz VSOVZMYLKQBVOU-UHFFFAOYSA-N 0 3 403.114 4.334 50 0 HIAAHN OCCCNCc1cc(Br)ccc1OCc1c(F)cccc1Cl ZINC000040743797 527541250 /nfs/dbraw/zinc/54/12/50/527541250.db2.gz LUPFIJBJPBKWCT-UHFFFAOYSA-N 0 3 402.691 4.293 50 0 HIAAHN CCN1CCc2ccc(OCC(=O)NCc3ccccc3)cc2[C@H]1c1ccccc1 ZINC000034667412 557361065 /nfs/dbraw/zinc/36/10/65/557361065.db2.gz LILDPIDCFWXUFF-AREMUKBSSA-N 0 3 400.522 4.349 50 0 HIAAHN CCN(CC)[C@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)c1cccc(OC)c1 ZINC000022701020 557795408 /nfs/dbraw/zinc/79/54/08/557795408.db2.gz PRRMWLISMCHONW-JOCHJYFZSA-N 0 3 421.541 4.482 50 0 HIAAHN c1ccc(COc2cccc(CNCCSc3nnnn3-c3ccccc3)c2)cc1 ZINC000009249987 557832612 /nfs/dbraw/zinc/83/26/12/557832612.db2.gz AWXANMRNTFPMCZ-UHFFFAOYSA-N 0 3 417.538 4.123 50 0 HIAAHN Cc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000010233133 557857738 /nfs/dbraw/zinc/85/77/38/557857738.db2.gz ITGOUOWZRDRLNF-JOCHJYFZSA-N 0 3 404.510 4.215 50 0 HIAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC[C@H](CO)C2)cc1F ZINC000011705678 558270768 /nfs/dbraw/zinc/27/07/68/558270768.db2.gz UBMVCJHPPFJHIB-SFHVURJKSA-N 0 3 409.505 4.200 50 0 HIAAHN CCOC(=O)N1CCC(N2CCC[C@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)CC1 ZINC000011813173 558278041 /nfs/dbraw/zinc/27/80/41/558278041.db2.gz OPGNGCLNQNMVIO-NRFANRHFSA-N 0 3 424.541 4.364 50 0 HIAAHN Cc1ccnc(C[C@H](C)N2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)c1 ZINC000011821658 558284812 /nfs/dbraw/zinc/28/48/12/558284812.db2.gz USWHFCGELDQTHK-FQEVSTJZSA-N 0 3 417.557 4.036 50 0 HIAAHN CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C3CCN(Cc4ccccn4)CC3)C2)c1 ZINC000011844484 558289336 /nfs/dbraw/zinc/28/93/36/558289336.db2.gz MLVJVBPVGNBVNB-JOCHJYFZSA-N 0 3 421.585 4.428 50 0 HIAAHN CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccccn1 ZINC000011879506 558294315 /nfs/dbraw/zinc/29/43/15/558294315.db2.gz DEDRCGXRIJYACR-UHFFFAOYSA-N 0 3 405.464 4.127 50 0 HIAAHN O=C1CC[C@H](CCNCc2ccccc2F)N1Cc1ccccc1OC(F)(F)F ZINC000011910615 558296538 /nfs/dbraw/zinc/29/65/38/558296538.db2.gz KSGKNGXGRCETKH-QGZVFWFLSA-N 0 3 410.411 4.395 50 0 HIAAHN CC(C)=CCN1CCc2nnc([C@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000011910852 558296680 /nfs/dbraw/zinc/29/66/80/558296680.db2.gz LVHPXAHTECTCIK-QFIPXVFZSA-N 0 3 423.605 4.236 50 0 HIAAHN O=C1CC[C@@H](CCNCc2ccccc2F)N1Cc1cccc(OC(F)(F)F)c1 ZINC000011976723 558305585 /nfs/dbraw/zinc/30/55/85/558305585.db2.gz MPBIHJRXKHMYEU-KRWDZBQOSA-N 0 3 410.411 4.395 50 0 HIAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccc(C)s1 ZINC000012090663 558324017 /nfs/dbraw/zinc/32/40/17/558324017.db2.gz UTWGJIZTKRZUBK-FQEVSTJZSA-N 0 3 400.588 4.482 50 0 HIAAHN O=C(CC[C@@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C1)N1CCOCC1 ZINC000012112216 558326668 /nfs/dbraw/zinc/32/66/68/558326668.db2.gz ZYDMYQAFPVQPPO-SFHVURJKSA-N 0 3 416.949 4.451 50 0 HIAAHN O=C(NCCCOc1ccc(CN2CC=C(c3ccccc3)CC2)cc1)[C@H]1CCCO1 ZINC000012149830 558338511 /nfs/dbraw/zinc/33/85/11/558338511.db2.gz HFDJGLBSFMFEEA-RUZDIDTESA-N 0 3 420.553 4.040 50 0 HIAAHN CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1cscn1 ZINC000012204078 558352344 /nfs/dbraw/zinc/35/23/44/558352344.db2.gz FHCYTXSSONINIO-UHFFFAOYSA-N 0 3 411.493 4.189 50 0 HIAAHN CCOc1c(CNCCc2ccc(OC)c(OC)c2)cc(Br)cc1OC ZINC000020476696 558374522 /nfs/dbraw/zinc/37/45/22/558374522.db2.gz UIVCDZQNAUUOLW-UHFFFAOYSA-N 0 3 424.335 4.206 50 0 HIAAHN Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4cccc(F)c4)CC3)cc2)n1 ZINC000012432093 558406540 /nfs/dbraw/zinc/40/65/40/558406540.db2.gz OEZRPZULDPCMCR-UHFFFAOYSA-N 0 3 406.505 4.479 50 0 HIAAHN CN(Cc1ccco1)Cc1cc2cc3c(cc2n(CCN2CCCCC2)c1=O)CCC3 ZINC000012457124 558417520 /nfs/dbraw/zinc/41/75/20/558417520.db2.gz KKRDAENCJLAMCC-UHFFFAOYSA-N 0 3 419.569 4.201 50 0 HIAAHN CCOc1cc(CNCCN(C)C)cc(Br)c1OCc1ccc(C)cc1 ZINC000020874772 558418790 /nfs/dbraw/zinc/41/87/90/558418790.db2.gz WKDZWRLZDBRSSW-UHFFFAOYSA-N 0 3 421.379 4.386 50 0 HIAAHN CCN1C[C@H](CN(C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)CC1=O ZINC000012469472 558421524 /nfs/dbraw/zinc/42/15/24/558421524.db2.gz DSYZWFLJFPZTBF-NRFANRHFSA-N 0 3 416.569 4.456 50 0 HIAAHN O=C(CCC1CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CC1)N1CCCC1 ZINC000012478700 558423199 /nfs/dbraw/zinc/42/31/99/558423199.db2.gz DYPGGOXCYZJGGH-UHFFFAOYSA-N 0 3 412.965 4.412 50 0 HIAAHN CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)CCc1ccc(F)c(F)c1 ZINC000012570572 558428829 /nfs/dbraw/zinc/42/88/29/558428829.db2.gz WFKAXZLBRWQXDU-IBGZPJMESA-N 0 3 418.503 4.450 50 0 HIAAHN C/C(=C\c1ccccc1)CN1CCC(c2nnc(SC[C@@H]3CCCO3)n2C)CC1 ZINC000012571222 558429008 /nfs/dbraw/zinc/42/90/08/558429008.db2.gz QXZRPGKHDQJXEN-RHYRFBSLSA-N 0 3 412.603 4.369 50 0 HIAAHN CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(Cc2ccc(NC(C)=O)cc2)C1 ZINC000012595274 558437460 /nfs/dbraw/zinc/43/74/60/558437460.db2.gz UZDDLQFOEXOJAP-VWLOTQADSA-N 0 3 424.541 4.259 50 0 HIAAHN CCOC(=O)[C@]1(CCc2ccccc2)CCCN(Cc2cccn2-c2ncccn2)C1 ZINC000012711736 558452998 /nfs/dbraw/zinc/45/29/98/558452998.db2.gz DMEYKEZVQBHHIS-VWLOTQADSA-N 0 3 418.541 4.045 50 0 HIAAHN CCOc1ccccc1CN1CCC(n2nccc2NC(=O)c2ccccc2)CC1 ZINC000012716813 558455678 /nfs/dbraw/zinc/45/56/78/558455678.db2.gz WUCKOIXMQOWDIP-UHFFFAOYSA-N 0 3 404.514 4.371 50 0 HIAAHN CCN(CC)[C@H](CNC(=O)Cc1ccc(Br)cc1)c1cccc(OC)c1 ZINC000022700557 558505409 /nfs/dbraw/zinc/50/54/09/558505409.db2.gz YKDQFXVYFVOIMB-HXUWFJFHSA-N 0 3 419.363 4.200 50 0 HIAAHN COc1ccc([C@@H](CNCc2c(OC)ccc3ccccc32)N2CCOCC2)cc1 ZINC000022789485 558511908 /nfs/dbraw/zinc/51/19/08/558511908.db2.gz KKMDUZPGNKSCLD-XMMPIXPASA-N 0 3 406.526 4.020 50 0 HIAAHN Cc1ccc(CN2C(=O)C(CC(=O)Nc3ccccc3)n3c4ccccc4nc32)cc1 ZINC000023382079 558555555 /nfs/dbraw/zinc/55/55/55/558555555.db2.gz AKEWHHJXVJTEBF-JOCHJYFZSA-N 0 3 410.477 4.461 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013662048 558559970 /nfs/dbraw/zinc/55/99/70/558559970.db2.gz FSDUJCWLMIKSOR-NJDAHSKKSA-N 0 3 420.852 4.097 50 0 HIAAHN O=C1CCCN1CCCNCc1cc(Br)ccc1OCc1ccccc1 ZINC000013727558 558584974 /nfs/dbraw/zinc/58/49/74/558584974.db2.gz ZAYAVFJDAGWZPK-UHFFFAOYSA-N 0 3 417.347 4.130 50 0 HIAAHN COc1ccc([C@H](CNC2c3ccccc3-c3ccccc32)N2CCOCC2)cc1 ZINC000025702136 558648288 /nfs/dbraw/zinc/64/82/88/558648288.db2.gz FUWHNMFRKZLSRQ-VWLOTQADSA-N 0 3 400.522 4.428 50 0 HIAAHN COc1ccc([C@H](CNC[C@H](O)COc2ccc3ccccc3c2)N2CCCC2)cc1 ZINC000025764598 558649241 /nfs/dbraw/zinc/64/92/41/558649241.db2.gz NBIHFXFSUINSAU-OZXSUGGESA-N 0 3 420.553 4.015 50 0 HIAAHN COc1cccc([C@@H](CNC(=O)Cc2ccc(Cl)c(Cl)c2)N2CCCC2)c1 ZINC000014252403 558650613 /nfs/dbraw/zinc/65/06/13/558650613.db2.gz HUCCNFIDGPLDOH-HXUWFJFHSA-N 0 3 407.341 4.498 50 0 HIAAHN O=C(NC[C@H]1CCCN(Cc2ccc3c(c2)CCO3)C1)c1cccc2ccccc21 ZINC000014975036 558688963 /nfs/dbraw/zinc/68/89/63/558688963.db2.gz IREOIFBXDWDDOB-HXUWFJFHSA-N 0 3 400.522 4.417 50 0 HIAAHN O=C(NCCC1=CCCCC1)[C@@H]1CC12CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC000014990282 558693940 /nfs/dbraw/zinc/69/39/40/558693940.db2.gz OHYRPAMMOVFDQN-NRFANRHFSA-N 0 3 410.558 4.067 50 0 HIAAHN COc1ccc(NC(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3OC)C2)cc1 ZINC000015063887 558706540 /nfs/dbraw/zinc/70/65/40/558706540.db2.gz YUGDNLDRJVRAPJ-IBGZPJMESA-N 0 3 411.546 4.122 50 0 HIAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CCC(=O)c2ccccc2)C1 ZINC000015064120 558706686 /nfs/dbraw/zinc/70/66/86/558706686.db2.gz HPCIHNJDJOCECV-NRFANRHFSA-N 0 3 422.569 4.071 50 0 HIAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1sc2nc(C)cc(C)c2c1N ZINC000015107178 558723287 /nfs/dbraw/zinc/72/32/87/558723287.db2.gz PIVDIKKSTPKCDY-WMZOPIPTSA-N 0 3 406.555 4.252 50 0 HIAAHN COc1ccc(CNC[C@H](c2c(F)cccc2Cl)N2CCCC2)c(OC)c1OC ZINC000030910897 558744481 /nfs/dbraw/zinc/74/44/81/558744481.db2.gz CGYSFKDNZXOPLC-GOSISDBHSA-N 0 3 422.928 4.432 50 0 HIAAHN CCN1CCC[C@H]1CNC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C ZINC000016694770 558800643 /nfs/dbraw/zinc/80/06/43/558800643.db2.gz XDKKJOVSQQHPNL-FQEVSTJZSA-N 0 3 407.514 4.238 50 0 HIAAHN O=C1C[C@H](NCCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1cccc2ccccc21 ZINC000018240748 558834291 /nfs/dbraw/zinc/83/42/91/558834291.db2.gz RYLDHEMBDUBCAH-NRFANRHFSA-N 0 3 417.896 4.439 50 0 HIAAHN Cc1cccc(-c2nccc(Nc3cccc(C(=O)NCCN4CCCCC4)c3)n2)c1 ZINC000033025091 558844076 /nfs/dbraw/zinc/84/40/76/558844076.db2.gz SXBSHRKRATZNQA-UHFFFAOYSA-N 0 3 415.541 4.411 50 0 HIAAHN O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CCN(CCc2ccccc2)CC1 ZINC000019360089 558876095 /nfs/dbraw/zinc/87/60/95/558876095.db2.gz ANKIBSSXGRNMRX-HSZRJFAPSA-N 0 3 413.565 4.016 50 0 HIAAHN Cc1cc(=O)oc2cc(NC(=O)NC[C@@H]3CCCN(Cc4ccccc4)C3)ccc12 ZINC000058174598 558908938 /nfs/dbraw/zinc/90/89/38/558908938.db2.gz VTOMCFAXSOSBDN-IBGZPJMESA-N 0 3 405.498 4.135 50 0 HIAAHN C[C@H]1CN(CC2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)C[C@H](C)O1 ZINC000058224454 558913400 /nfs/dbraw/zinc/91/34/00/558913400.db2.gz ANWUSQFGMAREHE-PMACEKPBSA-N 0 3 408.542 4.440 50 0 HIAAHN O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000058381698 558923191 /nfs/dbraw/zinc/92/31/91/558923191.db2.gz UQCMLBGWPKXULB-HXUWFJFHSA-N 0 3 411.977 4.195 50 0 HIAAHN O=C(NCCN1CCCCC1)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261191 558928153 /nfs/dbraw/zinc/92/81/53/558928153.db2.gz QLEYMQYUCBQMOB-UHFFFAOYSA-N 0 3 419.504 4.242 50 0 HIAAHN O=C(CCC1CCN(Cc2cnc(-c3ccccc3)s2)CC1)NC[C@@H]1CCCO1 ZINC000067755055 558992325 /nfs/dbraw/zinc/99/23/25/558992325.db2.gz CQBJNKZNHJWMIC-FQEVSTJZSA-N 0 3 413.587 4.098 50 0 HIAAHN CN(C)CC(C)(C)NC(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 ZINC000067871481 558994260 /nfs/dbraw/zinc/99/42/60/558994260.db2.gz UGHHGKFIKYDMDC-UHFFFAOYSA-N 0 3 410.465 4.152 50 0 HIAAHN O=C(COc1ccc(Cl)cc1Cl)NCC1CCN(Cc2cccs2)CC1 ZINC000023128076 559016311 /nfs/dbraw/zinc/01/63/11/559016311.db2.gz BASZSHQSDHZDTP-UHFFFAOYSA-N 0 3 413.370 4.462 50 0 HIAAHN CCc1ccc(CN2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)nc1 ZINC000095504323 559082908 /nfs/dbraw/zinc/08/29/08/559082908.db2.gz XNAUAIVXNZKTLM-SFHVURJKSA-N 0 3 401.501 4.231 50 0 HIAAHN CCCN1CCc2nc[nH]c2C12CCN(Cc1ccc([C@H]3CCCO3)s1)CC2 ZINC000096138604 559095516 /nfs/dbraw/zinc/09/55/16/559095516.db2.gz HYRBCSJNZZGKJW-LJQANCHMSA-N 0 3 400.592 4.082 50 0 HIAAHN CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccs1 ZINC000011614679 559114543 /nfs/dbraw/zinc/11/45/43/559114543.db2.gz SNTFJJNMAWSALL-KRWDZBQOSA-N 0 3 402.903 4.005 50 0 HIAAHN COc1ccc2nc3oc(C(=O)NCCCN4CCc5ccccc5C4)cc3cc2c1 ZINC000004907771 559201043 /nfs/dbraw/zinc/20/10/43/559201043.db2.gz SSOVKPGWOYGVIP-UHFFFAOYSA-N 0 3 415.493 4.168 50 0 HIAAHN COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(C(C)C)CC2)cc1OC ZINC000004936136 559210721 /nfs/dbraw/zinc/21/07/21/559210721.db2.gz PMVQUGKEPMRLPK-OAQYLSRUSA-N 0 3 421.541 4.448 50 0 HIAAHN O=C(NCCCN1CCc2ccccc2C1)c1cc2c(s1)-c1ccccc1OC2 ZINC000005050909 559237000 /nfs/dbraw/zinc/23/70/00/559237000.db2.gz NGIUADZPMSMRPY-UHFFFAOYSA-N 0 3 404.535 4.486 50 0 HIAAHN CCN(CC)CCN(C(=O)c1ccccc1OC)c1nc2c(cccc2OC)s1 ZINC000005121973 559248633 /nfs/dbraw/zinc/24/86/33/559248633.db2.gz QKFODHHQNFGUHG-UHFFFAOYSA-N 0 3 413.543 4.302 50 0 HIAAHN COc1cccc([C@@H]2CN(Cc3ccncc3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000248248377 559269247 /nfs/dbraw/zinc/26/92/47/559269247.db2.gz NQCIRBLFTLMGGH-ZCYQVOJMSA-N 0 3 423.601 4.446 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000137399060 559280070 /nfs/dbraw/zinc/28/00/70/559280070.db2.gz GZHKIWXLDRAFST-PCCBWWKXSA-N 0 3 420.852 4.097 50 0 HIAAHN Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)CC2)c1 ZINC000061999405 560565259 /nfs/dbraw/zinc/56/52/59/560565259.db2.gz OXHMUXCCSHTPES-BFXCOLBMSA-N 0 3 408.586 4.431 50 0 HIAAHN COc1ccccc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@H]23)CC1 ZINC000061992864 560568818 /nfs/dbraw/zinc/56/88/18/560568818.db2.gz JYQVXEKPJQQPDT-RFRNZTGYSA-N 0 3 422.569 4.052 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3F)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102765745 560825100 /nfs/dbraw/zinc/82/51/00/560825100.db2.gz UABRJPJIQRLWQC-PCCBWWKXSA-N 0 3 406.388 4.016 50 0 HIAAHN O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccccc1Cl ZINC000103077019 560837609 /nfs/dbraw/zinc/83/76/09/560837609.db2.gz UZEJVECWEUQYJT-PCCBWWKXSA-N 0 3 404.853 4.391 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccccc1 ZINC000103077019 560837611 /nfs/dbraw/zinc/83/76/11/560837611.db2.gz UZEJVECWEUQYJT-PCCBWWKXSA-N 0 3 404.853 4.391 50 0 HIAAHN CCc1nc2c([nH]c(N3CCN(c4cc(C)nc5ccccc54)CC3)cc2=O)s1 ZINC000108882531 568419790 /nfs/dbraw/zinc/41/97/90/568419790.db2.gz OZWRHXUSCHXDLX-UHFFFAOYSA-N 0 3 405.527 4.143 50 0 HIAAHN COc1cccc(OC)c1C(=O)C1CC(=O)Nc2c1c(C)nn2-c1cccc(C)c1C ZINC000046057299 568426197 /nfs/dbraw/zinc/42/61/97/568426197.db2.gz PYVYTXOHILUAAA-MRXNPFEDSA-N 0 3 419.481 4.123 50 0 HIAAHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2F)cc1NC(=O)c1ccco1 ZINC000048314279 568439173 /nfs/dbraw/zinc/43/91/73/568439173.db2.gz CNUCWKAEHOGPOI-UHFFFAOYSA-N 0 3 423.488 4.183 50 0 HIAAHN CN(C)[C@@H](CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)Cc1ccccc1 ZINC000049574075 568452176 /nfs/dbraw/zinc/45/21/76/568452176.db2.gz WLGVHNBXQKWPIS-JOCHJYFZSA-N 0 3 415.537 4.091 50 0 HIAAHN COc1ccccc1OCCNCC(=O)N(Cc1ccccc1)c1cccc(C)c1 ZINC000049587071 568453083 /nfs/dbraw/zinc/45/30/83/568453083.db2.gz PPEKNHALPGDQSG-UHFFFAOYSA-N 0 3 404.510 4.205 50 0 HIAAHN CN(Cc1ccc2c(c1)OCCO2)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000033015060 568510465 /nfs/dbraw/zinc/51/04/65/568510465.db2.gz XGXAWKQKLFEYCX-HSZRJFAPSA-N 0 3 419.521 4.057 50 0 HIAAHN CCc1ccc2c(CC(=O)NC[C@@H](c3cccc(OC)c3)N3CCCC3)coc2c1 ZINC000024973049 568516485 /nfs/dbraw/zinc/51/64/85/568516485.db2.gz DHHOIIIUDWEALV-QHCPKHFHSA-N 0 3 406.526 4.500 50 0 HIAAHN C[C@@H](c1ccccc1)N1CCC(NC(=O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC000095397784 568604594 /nfs/dbraw/zinc/60/45/94/568604594.db2.gz JDLDWQAGLANKKN-INIZCTEOSA-N 0 3 406.448 4.426 50 0 HIAAHN CC(C)c1ccc(OCCC(=O)Nc2cccc(CCN3CCN(C)CC3)c2)cc1 ZINC000095457787 568618770 /nfs/dbraw/zinc/61/87/70/568618770.db2.gz RMCXZNKWXOWZPP-UHFFFAOYSA-N 0 3 409.574 4.008 50 0 HIAAHN CCN1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cccc(OC)c2)C1 ZINC000020927430 568651611 /nfs/dbraw/zinc/65/16/11/568651611.db2.gz PVBASLICSKZMFQ-UHFFFAOYSA-N 0 3 410.543 4.247 50 0 HIAAHN COc1ccccc1[C@@H](c1c(O)cc(C)n(Cc2ccco2)c1=O)N1CCCCC1 ZINC000021098121 568665973 /nfs/dbraw/zinc/66/59/73/568665973.db2.gz ULWACPYLIXRMPU-QHCPKHFHSA-N 0 3 408.498 4.088 50 0 aggregator HIAAHN Cc1ccccc1-n1ncc(C(=O)NC[C@H]2N(C)CCCC2(C)C)c1C(F)(F)F ZINC000225736726 568669591 /nfs/dbraw/zinc/66/95/91/568669591.db2.gz UVQRWHRWFPOSGO-QGZVFWFLSA-N 0 3 408.468 4.050 50 0 HIAAHN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1cn2cc(Cl)cc(Cl)c2n1 ZINC000241231089 568730830 /nfs/dbraw/zinc/73/08/30/568730830.db2.gz KRVZTXPWPJALAL-BLLLJJGKSA-N 0 3 413.349 4.376 50 0 HIAAHN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000055757507 568783151 /nfs/dbraw/zinc/78/31/51/568783151.db2.gz CFBVYNNDKVJNOH-SOUVJXGZSA-N 0 3 406.933 4.069 50 0 HIAAHN CN(C)[C@H](CNC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000002648734 568795721 /nfs/dbraw/zinc/79/57/21/568795721.db2.gz HQXPVMXSXNSMMW-XMMPIXPASA-N 0 3 404.510 4.064 50 0 HIAAHN O=C1[C@@H]2C(=C([O-])N1c1cccc(F)c1)ON(c1ccccc1)[C@@H]2c1ccccc1F ZINC000230055632 568805352 /nfs/dbraw/zinc/80/53/52/568805352.db2.gz NBHWJPUIBACJGY-PWRODBHTSA-N 0 3 406.388 4.016 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3F)[C@@H]2C(=O)N1c1cccc(F)c1 ZINC000230055632 568805354 /nfs/dbraw/zinc/80/53/54/568805354.db2.gz NBHWJPUIBACJGY-PWRODBHTSA-N 0 3 406.388 4.016 50 0 HIAAHN CCCCC(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057312050 568826600 /nfs/dbraw/zinc/82/66/00/568826600.db2.gz PQTDQLNFJUHZAT-UHFFFAOYSA-N 0 3 410.587 4.012 50 0 HIAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1=O ZINC000230074286 568831387 /nfs/dbraw/zinc/83/13/87/568831387.db2.gz NSWXOHWQFKYLJZ-YTFSRNRJSA-N 0 3 414.461 4.136 50 0 HIAAHN Cc1ccc([C@@H](NCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000057547265 568852768 /nfs/dbraw/zinc/85/27/68/568852768.db2.gz HEDPYSADSXQTFP-VPUSJEBWSA-N 0 3 413.565 4.065 50 0 HIAAHN COc1ccc([C@H](CNC(=O)Cc2c(Cl)cccc2Cl)N2CCCC2)cc1 ZINC000003334504 568882608 /nfs/dbraw/zinc/88/26/08/568882608.db2.gz AUWWKUNGDALURF-FQEVSTJZSA-N 0 3 407.341 4.498 50 0 HIAAHN COc1ccc(Cl)cc1NC(=O)CCN1CCC(C(=O)c2ccccc2)CC1 ZINC000025946744 568941116 /nfs/dbraw/zinc/94/11/16/568941116.db2.gz YNMCTKQWAKLDET-UHFFFAOYSA-N 0 3 400.906 4.272 50 0 HIAAHN O=C(Cc1ccc(-n2cccn2)cc1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000084615319 568953278 /nfs/dbraw/zinc/95/32/78/568953278.db2.gz DNEDSXKJAXSHGH-UHFFFAOYSA-N 0 3 422.960 4.193 50 0 HIAAHN C[C@@H](N[C@H](C)c1cccc(Br)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000084651616 568954752 /nfs/dbraw/zinc/95/47/52/568954752.db2.gz XFLCKTJQLLSWJB-ZIAGYGMSSA-N 0 3 411.365 4.111 50 0 HIAAHN COC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CC(C)(C)NC2(C)C ZINC000004281222 568958904 /nfs/dbraw/zinc/95/89/04/568958904.db2.gz VVGAEMSYGDDQPC-UHFFFAOYSA-N 0 3 400.544 4.265 50 0 HIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)nc1n2CCCCC1 ZINC000015786961 569007701 /nfs/dbraw/zinc/00/77/01/569007701.db2.gz FNUHRXMCQBWGEY-UHFFFAOYSA-N 0 3 402.542 4.157 50 0 HIAAHN COC(=O)c1c(-c2ccc(Cl)cc2)noc1N1CCN(C2CCCCC2)CC1 ZINC000035509973 569041755 /nfs/dbraw/zinc/04/17/55/569041755.db2.gz TZAZCMRJFKQXGD-UHFFFAOYSA-N 0 3 403.910 4.236 50 0 HIAAHN O=C(CN[C@@H](c1cccs1)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000012980727 569046396 /nfs/dbraw/zinc/04/63/96/569046396.db2.gz GYLAMDLZXUIPRA-RUZDIDTESA-N 0 3 419.594 4.208 50 0 HIAAHN O=C(Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1)c1cccs1 ZINC000013004620 569049574 /nfs/dbraw/zinc/04/95/74/569049574.db2.gz BHGCODQOBKIMKM-UHFFFAOYSA-N 0 3 419.550 4.395 50 0 HIAAHN Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)CN4CCCC4)ccc3c2=O)c1 ZINC000001810973 569056189 /nfs/dbraw/zinc/05/61/89/569056189.db2.gz UHWQDSFQLWQRHL-GOSISDBHSA-N 0 3 409.482 4.038 50 0 HIAAHN Cc1ccccc1CN(Cc1ccc2c(c1)OCO2)C[C@H](O)COCc1ccccc1 ZINC000036104597 569092610 /nfs/dbraw/zinc/09/26/10/569092610.db2.gz SAIRGQWXUIOTKJ-DEOSSOPVSA-N 0 3 419.521 4.304 50 0 HIAAHN Cc1c(C)c(=O)oc2c1ccc1c2CN(C2CCN(Cc3ccccc3)CC2)CO1 ZINC000006720003 569098038 /nfs/dbraw/zinc/09/80/38/569098038.db2.gz LCZOGBGPNPNYGA-UHFFFAOYSA-N 0 3 404.510 4.226 50 0 HIAAHN CCn1c(C(=O)NCCCN(C)Cc2ccccc2)cc2c1c1ccccc1oc2=O ZINC000064839082 569106461 /nfs/dbraw/zinc/10/64/61/569106461.db2.gz XRGZJZYPBKAFKX-UHFFFAOYSA-N 0 3 417.509 4.020 50 0 HIAAHN COc1ccc(CN(C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)cc1OC ZINC000006790337 569124227 /nfs/dbraw/zinc/12/42/27/569124227.db2.gz IFTXFDOVSCKHCK-JOCHJYFZSA-N 0 3 407.510 4.243 50 0 HIAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H](C)O ZINC000036305557 569129466 /nfs/dbraw/zinc/12/94/66/569129466.db2.gz VLTOPQZICCZKLI-SFHVURJKSA-N 0 3 409.530 4.481 50 0 HIAAHN COc1ccc(OC)c(NC(=O)N2CCC[C@@H](CN3CCc4ccccc4C3)C2)c1 ZINC000006877388 569164154 /nfs/dbraw/zinc/16/41/54/569164154.db2.gz WFLHNEZRPVAMFL-SFHVURJKSA-N 0 3 409.530 4.006 50 0 HIAAHN COc1ccc(-c2nnc(-c3cccnc3N3CCN(C4CCCCC4)CC3)o2)cc1 ZINC000065117732 569180845 /nfs/dbraw/zinc/18/08/45/569180845.db2.gz RFNNIZOASZYZFT-UHFFFAOYSA-N 0 3 419.529 4.262 50 0 HIAAHN O=C(Nc1ccccc1)c1ccc(N2CC[C@H](NCc3ccc(Cl)cc3)C2)nc1 ZINC000065256973 569208594 /nfs/dbraw/zinc/20/85/94/569208594.db2.gz RECNOCWUXUGHHK-NRFANRHFSA-N 0 3 406.917 4.356 50 0 HIAAHN C=Cc1ccc(CN2CCCN(c3ncccc3-c3nc(CCC)no3)CC2)cc1 ZINC000065257930 569209762 /nfs/dbraw/zinc/20/97/62/569209762.db2.gz CMKRTLPXHSENFA-UHFFFAOYSA-N 0 3 403.530 4.439 50 0 HIAAHN Cc1cc2c(cc1C(=O)Nc1ccc(OCCN3CCCCC3)cc1)OCCCO2 ZINC000065315035 569223368 /nfs/dbraw/zinc/22/33/68/569223368.db2.gz GAYVTUAJUMCQBB-UHFFFAOYSA-N 0 3 410.514 4.273 50 0 HIAAHN Cc1cc(O)c([C@@H](c2ccc(F)cc2)N2CCC(C)CC2)c(=O)n1Cc1ccccn1 ZINC000016993698 569270890 /nfs/dbraw/zinc/27/08/90/569270890.db2.gz PFAYJGHDETZCAQ-XMMPIXPASA-N 0 3 421.516 4.266 50 0 HIAAHN CN(C)[C@@H](CNCc1cc(Br)c2c(c1)OCCCO2)c1ccsc1 ZINC000065889502 569301008 /nfs/dbraw/zinc/30/10/08/569301008.db2.gz IIOSTMZKDHDHRH-INIZCTEOSA-N 0 3 411.365 4.064 50 0 HIAAHN CCN1C[C@H](CN(C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)CC1=O ZINC000012055369 569365176 /nfs/dbraw/zinc/36/51/76/569365176.db2.gz MPTLJRKEEAKIRR-IBGZPJMESA-N 0 3 420.532 4.287 50 0 HIAAHN CCc1ccc([C@H](CNC(=O)c2cccc(OCc3cscn3)c2)N(C)C)cc1 ZINC000027597539 569375794 /nfs/dbraw/zinc/37/57/94/569375794.db2.gz JEWGQECZGRXFMR-QFIPXVFZSA-N 0 3 409.555 4.317 50 0 HIAAHN CN(C)CCCNc1nc2sc3c(c2c(=O)n1-c1ccc(F)cc1)CCCCC3 ZINC000002365606 569388102 /nfs/dbraw/zinc/38/81/02/569388102.db2.gz USMUQRJDOKQXRP-UHFFFAOYSA-N 0 3 414.550 4.219 50 0 HIAAHN CCCN(CC(=O)Nc1cc(OC)ccc1OC)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000078869638 569420895 /nfs/dbraw/zinc/42/08/95/569420895.db2.gz SVAXMYVZZXPGMK-SFTDATJTSA-N 0 3 404.551 4.092 50 0 HIAAHN O=C(NCC1CCN(Cc2ccc(F)cc2)CC1)c1cc2ccc3cccnc3c2[nH]1 ZINC000008596171 571087987 /nfs/dbraw/zinc/08/79/87/571087987.db2.gz NLFJDNWOXJTFDW-UHFFFAOYSA-N 0 3 416.500 4.497 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)c3cc(C)n(CC(F)(F)F)c3C)cc2)CC1 ZINC000040017830 571139019 /nfs/dbraw/zinc/13/90/19/571139019.db2.gz CQLUNSDJVCIUNW-UHFFFAOYSA-N 0 3 408.468 4.061 50 0 HIAAHN CN1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(F)cc2F)C1 ZINC000008912267 571148278 /nfs/dbraw/zinc/14/82/78/571148278.db2.gz OLEQPSNKPLRNNE-UHFFFAOYSA-N 0 3 402.470 4.127 50 0 HIAAHN O=C(C1COc2ccccc2O1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 ZINC000010187642 571296148 /nfs/dbraw/zinc/29/61/48/571296148.db2.gz NBBUQMCGQJWHLX-LJQANCHMSA-N 0 3 421.453 4.204 50 0 HIAAHN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCN(CC)CC2)cc1 ZINC000010214365 571296771 /nfs/dbraw/zinc/29/67/71/571296771.db2.gz QCWNNXQYBXFIDD-JOCHJYFZSA-N 0 3 421.541 4.449 50 0 HIAAHN C[C@H]1Sc2ccc(C(=O)NCc3ccccc3CN3CCCCC3)cc2NC1=O ZINC000010280650 571299272 /nfs/dbraw/zinc/29/92/72/571299272.db2.gz RUMBSNVDNXECMN-MRXNPFEDSA-N 0 3 409.555 4.035 50 0 HIAAHN Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N2CCCC2)cc1 ZINC000010333915 571300722 /nfs/dbraw/zinc/30/07/22/571300722.db2.gz NMGHZTZONHPRHK-HSZRJFAPSA-N 0 3 401.510 4.040 50 0 HIAAHN COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(SC)cc3)N3CCC[C@@]23C1=O ZINC000012386076 845869104 /nfs/dbraw/zinc/86/91/04/845869104.db2.gz OOLRUJKNGFAUOT-PTLVVNQVSA-N 0 3 408.567 4.355 50 0 HIAAHN C[C@H]1CCCCN1Cc1ccc(C(=O)NC2c3ccccc3-c3ccccc32)c(=O)[nH]1 ZINC000014882628 845989561 /nfs/dbraw/zinc/98/95/61/845989561.db2.gz WMMSTZBOIXIDCH-KRWDZBQOSA-N 0 3 413.521 4.249 50 0 HIAAHN COc1ccccc1/C=C/CN1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000020271336 846382410 /nfs/dbraw/zinc/38/24/10/846382410.db2.gz AULZSLANGMKZND-BWAMLYQTSA-N 0 3 421.585 4.004 50 0 HIAAHN CCOc1c(Cl)cc(/C=C\C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000096585381 852551668 /nfs/dbraw/zinc/55/16/68/852551668.db2.gz MSDHGZNDKRMDJW-VJIACCKLSA-N 0 3 414.933 4.151 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)cc2)CC1 ZINC000004998427 132298098 /nfs/dbraw/zinc/29/80/98/132298098.db2.gz AAFYLFIBEZKMJU-UHFFFAOYSA-N 0 3 408.329 4.396 50 0 HIAAHN Cc1ccc(N2CCN(c3c4ccccc4oc(=O)c3CN3CCCC3)CC2)c(C)c1 ZINC000007504118 132324836 /nfs/dbraw/zinc/32/48/36/132324836.db2.gz PLYDMWYELDUIPJ-UHFFFAOYSA-N 0 3 417.553 4.332 50 0 HIAAHN O=C(CN[C@H](Cc1ccccc1)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000012527418 132361868 /nfs/dbraw/zinc/36/18/68/132361868.db2.gz QXHJNCRRVNNCMF-RUZDIDTESA-N 0 3 415.537 4.035 50 0 HIAAHN CCN(CC)[C@@H](CNC(=O)c1cc(OC)ccc1Br)c1ccsc1 ZINC000031988658 520837592 /nfs/dbraw/zinc/83/75/92/520837592.db2.gz VFKORLOFAIRNTL-KRWDZBQOSA-N 0 3 411.365 4.332 50 0 HIAAHN CCOC(=O)N1CCC(N[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)CC1 ZINC000040161202 520932219 /nfs/dbraw/zinc/93/22/19/520932219.db2.gz YETWNSPERBGSEE-JOCHJYFZSA-N 0 3 409.530 4.194 50 0 HIAAHN COc1ccc(CN2CCCN(c3nc(C(F)(F)F)nc4ccccc43)CC2)cc1 ZINC000032869707 524028331 /nfs/dbraw/zinc/02/83/31/524028331.db2.gz GDMCNDOIZVKRBW-UHFFFAOYSA-N 0 3 416.447 4.370 50 0 HIAAHN C[C@H](OC[C@@H](O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000032865537 525903178 /nfs/dbraw/zinc/90/31/78/525903178.db2.gz VMOKLPZUULCAMG-KPLVRAHFSA-N 0 3 416.949 4.129 50 0 HIAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)C1(c2cccc(Br)c2)CC1 ZINC000032760340 526580018 /nfs/dbraw/zinc/58/00/18/526580018.db2.gz BENMFIVVESFODY-QGZVFWFLSA-N 0 3 419.388 4.496 50 0 HIAAHN CCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCCN2CCCCC2)cc1 ZINC000034680083 557381598 /nfs/dbraw/zinc/38/15/98/557381598.db2.gz OBZGBIHVFHZPRW-UHFFFAOYSA-N 0 3 421.585 4.083 50 0 HIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4C)[C@H](c4cccs4)[C@H]3C2=O)c1 ZINC000008741699 557803842 /nfs/dbraw/zinc/80/38/42/557803842.db2.gz OQMSVMBTGWOPNJ-NJDAHSKKSA-N 0 3 420.490 4.116 50 0 HIAAHN COc1cccc(CNCCCn2ccnc2)c1OCc1ccc(F)cc1Cl ZINC000010314137 557859516 /nfs/dbraw/zinc/85/95/16/557859516.db2.gz LOHTWCDOJMSTFG-UHFFFAOYSA-N 0 3 403.885 4.443 50 0 HIAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CN[C@@H](C)Cc1ncccc1C ZINC000019771159 558279757 /nfs/dbraw/zinc/27/97/57/558279757.db2.gz HZWYOSGQDNTGQJ-FQEVSTJZSA-N 0 3 419.573 4.083 50 0 HIAAHN COC[C@H]1CCCCN1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000011817357 558280645 /nfs/dbraw/zinc/28/06/45/558280645.db2.gz KWEVTJRVAPRRQD-OAQYLSRUSA-N 0 3 405.498 4.269 50 0 HIAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1n[nH]c2ccccc21 ZINC000011818916 558282130 /nfs/dbraw/zinc/28/21/30/558282130.db2.gz BIEOHVAIRCKHAW-IBGZPJMESA-N 0 3 408.521 4.119 50 0 HIAAHN Cc1nc2ccc(C(=O)N(C)[C@H]3CCCN(CCCc4ccccc4)C3)cc2nc1C ZINC000011840746 558286737 /nfs/dbraw/zinc/28/67/37/558286737.db2.gz ZVBAXDBJOVXJDM-QHCPKHFHSA-N 0 3 416.569 4.416 50 0 HIAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCCC[C@H]2CO)cc1F ZINC000011873549 558291413 /nfs/dbraw/zinc/29/14/13/558291413.db2.gz SSKLFHMKTZYMSR-FQEVSTJZSA-N 0 3 409.505 4.342 50 0 HIAAHN COc1cc(OC)cc(C(=O)N2CC[C@]3(C2)CCCN(Cc2cccc(C)c2)C3)c1 ZINC000011874370 558291972 /nfs/dbraw/zinc/29/19/72/558291972.db2.gz KVWBQTLNUIUYOL-RUZDIDTESA-N 0 3 408.542 4.141 50 0 HIAAHN CCOc1ccc(CN2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)cc1CO ZINC000012072345 558317799 /nfs/dbraw/zinc/31/77/99/558317799.db2.gz TXOKYCADAWGOHO-SFHVURJKSA-N 0 3 414.521 4.348 50 0 HIAAHN C/C(=C\c1ccccc1)CN1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012157217 558340712 /nfs/dbraw/zinc/34/07/12/558340712.db2.gz AGXZBTJGEHOLGX-GZTJUZNOSA-N 0 3 412.917 4.207 50 0 HIAAHN CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000012193646 558348586 /nfs/dbraw/zinc/34/85/86/558348586.db2.gz HMELATZVBTVQCH-HSZRJFAPSA-N 0 3 404.514 4.046 50 0 HIAAHN CCn1cc(CN2CCC[C@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)cn1 ZINC000012373044 558390676 /nfs/dbraw/zinc/39/06/76/558390676.db2.gz UFOGIVCZVRTFGH-NRFANRHFSA-N 0 3 418.541 4.429 50 0 HIAAHN O=C(Nc1ccc(-n2cccn2)cc1)C1CCN(Cc2cc3ccccc3o2)CC1 ZINC000012387694 558396382 /nfs/dbraw/zinc/39/63/82/558396382.db2.gz AIFWIFQCNREPBH-UHFFFAOYSA-N 0 3 400.482 4.469 50 0 HIAAHN CC(=O)NC[C@H]1CCCN(Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000012430974 558405694 /nfs/dbraw/zinc/40/56/94/558405694.db2.gz XVPLWLXRYJDXII-HXUWFJFHSA-N 0 3 420.532 4.335 50 0 HIAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CSc1nc(C)nc2ccccc21 ZINC000012462572 558419341 /nfs/dbraw/zinc/41/93/41/558419341.db2.gz WPRFCXGUCIRKHE-UGKGYDQZSA-N 0 3 418.566 4.173 50 0 HIAAHN CCOC(=O)N1CCC(N2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000012475120 558422589 /nfs/dbraw/zinc/42/25/89/558422589.db2.gz SZUPKKUWHQETQN-INIZCTEOSA-N 0 3 412.452 4.221 50 0 HIAAHN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3cccs3)C2)c(OC)c1 ZINC000012570356 558428801 /nfs/dbraw/zinc/42/88/01/558428801.db2.gz RUUBNFSRHMOYGM-KRWDZBQOSA-N 0 3 402.560 4.074 50 0 HIAAHN CC(C)C[C@H](NCc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)C(N)=O ZINC000012744044 558457617 /nfs/dbraw/zinc/45/76/17/558457617.db2.gz KMLSUAQGSJEUBV-FQEVSTJZSA-N 0 3 414.912 4.321 50 0 HIAAHN Clc1ccc(COc2ccccc2CNCCCN2CCOCC2)c(Cl)c1 ZINC000022074022 558462160 /nfs/dbraw/zinc/46/21/60/558462160.db2.gz XTRQFIMSTOXMHV-UHFFFAOYSA-N 0 3 409.357 4.384 50 0 HIAAHN CCN(CC)[C@@H](CNC(=O)Cc1ccc(Br)cc1)c1cccc(OC)c1 ZINC000022700555 558505478 /nfs/dbraw/zinc/50/54/78/558505478.db2.gz YKDQFXVYFVOIMB-FQEVSTJZSA-N 0 3 419.363 4.200 50 0 HIAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3cccs3)=NN12 ZINC000004424507 558543956 /nfs/dbraw/zinc/54/39/56/558543956.db2.gz CBVZFLUXVZOPFP-MRXNPFEDSA-N 0 3 418.360 4.476 50 0 HIAAHN Fc1ccc(-n2cc(CNCCc3cnccn3)c(-c3ccccc3Cl)n2)cc1 ZINC000023337898 558549961 /nfs/dbraw/zinc/54/99/61/558549961.db2.gz KLMPVTOMLQFJGA-UHFFFAOYSA-N 0 3 407.880 4.454 50 0 HIAAHN O=C(NCc1ccco1)c1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000013680891 558566616 /nfs/dbraw/zinc/56/66/16/558566616.db2.gz LNRATDLHWDHEQE-UHFFFAOYSA-N 0 3 403.482 4.058 50 0 HIAAHN COc1cc(CNCCCN2CCCC2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000013727977 558585296 /nfs/dbraw/zinc/58/52/96/558585296.db2.gz AYWSIFDIPQBTQR-UHFFFAOYSA-N 0 3 416.949 4.338 50 0 HIAAHN CCCOc1ccc(N2C(=O)C[C@@H](NCCC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000004451485 558587969 /nfs/dbraw/zinc/58/79/69/558587969.db2.gz LRZVZUMYEPWATA-VBSWXYJSSA-N 0 3 410.558 4.303 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)c(C)c2)CC1 ZINC000027109134 558669685 /nfs/dbraw/zinc/66/96/85/558669685.db2.gz SYSRHRSZLMRBLD-UHFFFAOYSA-N 0 3 405.464 4.337 50 0 HIAAHN COc1cc(C[NH2+][C@H]2CCCN(c3nc4ccccc4s3)C2)cc(Cl)c1[O-] ZINC000014966719 558686123 /nfs/dbraw/zinc/68/61/23/558686123.db2.gz OCZWIAKCACZUMW-AWEZNQCLSA-N 0 3 403.935 4.423 50 0 HIAAHN Cc1ccccc1CN1C(=O)CC[C@@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000014980852 558691443 /nfs/dbraw/zinc/69/14/43/558691443.db2.gz LKZHQRYJMYEMLU-GOSISDBHSA-N 0 3 400.906 4.048 50 0 HIAAHN COc1ccc(CN2CCN([C@H](C)Cc3cccc(C(F)(F)F)c3)CCC2=O)cc1 ZINC000014994216 558695447 /nfs/dbraw/zinc/69/54/47/558695447.db2.gz NSEVHBIETVSHAG-QGZVFWFLSA-N 0 3 420.475 4.380 50 0 HIAAHN O=C(CC[C@H]1CCCN(Cc2cccc3c2OCO3)C1)NCc1ccccc1Cl ZINC000015062340 558705467 /nfs/dbraw/zinc/70/54/67/558705467.db2.gz IRKSODPGTNHTPR-QGZVFWFLSA-N 0 3 414.933 4.377 50 0 HIAAHN Clc1ccc(-c2noc3c2CN(C2CCN(Cc4ccccn4)CC2)CC3)cc1 ZINC000015066559 558709496 /nfs/dbraw/zinc/70/94/96/558709496.db2.gz GYGSPBCKFAMLLT-UHFFFAOYSA-N 0 3 408.933 4.413 50 0 HIAAHN CCOc1ccc(Cl)c(C(=O)OC[C@H]2CCCN(C)[C@@H]2c2ccc(OC)cc2)n1 ZINC000072310648 558777492 /nfs/dbraw/zinc/77/74/92/558777492.db2.gz PQYVLJAMOZKEMH-IIBYNOLFSA-N 0 3 418.921 4.382 50 0 HIAAHN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(CCCN(C)C)C3=O ZINC000016749924 558804483 /nfs/dbraw/zinc/80/44/83/558804483.db2.gz PUWSUPXZCGWGKO-HXUWFJFHSA-N 0 3 410.901 4.252 50 0 HIAAHN c1nn2cc(-c3ccc(N4CCNCC4)cc3)cnc2c1-c1ccnc2ccccc21 ZINC000040880920 558825494 /nfs/dbraw/zinc/82/54/94/558825494.db2.gz CDOVNWNANFFLFJ-UHFFFAOYSA-N 0 3 406.493 4.021 50 0 in-vitro HIAAHN CC[C@H](C)NC(=O)c1ccc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1 ZINC000072314317 558844103 /nfs/dbraw/zinc/84/41/03/558844103.db2.gz JGPYKUJASYKGRL-IBGZPJMESA-N 0 3 422.573 4.343 50 0 HIAAHN COc1ccc(-c2n[nH]cc2CN(C)CCn2c(C)cc3ccccc32)c(OC)c1 ZINC000055242442 558877097 /nfs/dbraw/zinc/87/70/97/558877097.db2.gz OUGAGNSVLBXGHE-UHFFFAOYSA-N 0 3 404.514 4.489 50 0 HIAAHN CCCCN(C)CCNC(=O)c1cc(Nc2ccc(OC)cc2)nc2ccccc21 ZINC000004668051 558878048 /nfs/dbraw/zinc/87/80/48/558878048.db2.gz CGQHOMHKEGZVEB-UHFFFAOYSA-N 0 3 406.530 4.449 50 0 HIAAHN COc1ccc([C@H](C)NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1F ZINC000058434987 558927136 /nfs/dbraw/zinc/92/71/36/558927136.db2.gz PLDMDBHJGXCTHW-BTYIYWSLSA-N 0 3 424.438 4.466 50 0 HIAAHN CCN1CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC1 ZINC000072432801 558979710 /nfs/dbraw/zinc/97/97/10/558979710.db2.gz CMFMZSLECZYHMJ-UHFFFAOYSA-N 0 3 409.917 4.421 50 0 HIAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC[C@](C)(O)C2)cc1F ZINC000072463179 558983193 /nfs/dbraw/zinc/98/31/93/558983193.db2.gz FEBKZKWBCTXAJK-DEOSSOPVSA-N 0 3 409.505 4.342 50 0 HIAAHN Cc1cccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccc(F)cc4)CC3)n2)c1 ZINC000067604415 558988622 /nfs/dbraw/zinc/98/86/22/558988622.db2.gz MNFRBJDWVRZTSC-UHFFFAOYSA-N 0 3 422.504 4.055 50 0 HIAAHN Cc1ccc(CN2CCC(Oc3cccc(C(=O)NCc4ccccn4)c3)CC2)s1 ZINC000067713397 558991926 /nfs/dbraw/zinc/99/19/26/558991926.db2.gz IMXUSWIIFCNUGG-UHFFFAOYSA-N 0 3 421.566 4.425 50 0 HIAAHN CCC[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccc(Cl)c(Cl)c1 ZINC000100208381 559131860 /nfs/dbraw/zinc/13/18/60/559131860.db2.gz XOGPKSZIPVZNBU-KURKYZTESA-N 0 3 405.281 4.472 50 0 HIAAHN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCc2c1cccc2CN1CCCC1 ZINC000072306392 559147268 /nfs/dbraw/zinc/14/72/68/559147268.db2.gz CEKFMCLDKBYIFZ-VWLOTQADSA-N 0 3 415.537 4.136 50 0 HIAAHN FC(F)(F)c1cccc(N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c1 ZINC000004981252 559223559 /nfs/dbraw/zinc/22/35/59/559223559.db2.gz LGZKFFLBKZUASY-UHFFFAOYSA-N 0 3 403.492 4.492 50 0 HIAAHN CCN(CC)CCN(C(=O)c1ccccc1OC)c1nc2cc(OC)ccc2s1 ZINC000005122098 559248672 /nfs/dbraw/zinc/24/86/72/559248672.db2.gz RSPOEUFHGRWQEA-UHFFFAOYSA-N 0 3 413.543 4.302 50 0 HIAAHN COc1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCCCCC2)cc1 ZINC000011915584 559267889 /nfs/dbraw/zinc/26/78/89/559267889.db2.gz NRLJHSBCNKXYMW-JOCHJYFZSA-N 0 3 420.509 4.149 50 0 HIAAHN CC(C)[C@H](CNC(=O)[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccnc1 ZINC000252552555 559278199 /nfs/dbraw/zinc/27/81/99/559278199.db2.gz UWGHQFZQZXVTHR-PCCBWWKXSA-N 0 3 419.491 4.248 50 0 HIAAHN COc1ccc(/C=C/c2nc(-c3ccccc3O)n(CCN3CCCCC3)n2)cc1 ZINC000005274347 560561304 /nfs/dbraw/zinc/56/13/04/560561304.db2.gz UHLYLXJOUFMLLJ-SDNWHVSQSA-N 0 3 404.514 4.316 50 0 HIAAHN Cc1cc2oc3c(c(=O)c2cc1Cl)C(c1ccccn1)N(c1ccccn1)C3=O ZINC000005305203 560563258 /nfs/dbraw/zinc/56/32/58/560563258.db2.gz CJNXAZIWKPYTPA-IBGZPJMESA-N 0 3 403.825 4.295 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3F)[C@H]2C(=O)N1c1cccc(F)c1 ZINC000005575273 560623511 /nfs/dbraw/zinc/62/35/11/560623511.db2.gz NBHWJPUIBACJGY-NJDAHSKKSA-N 0 3 406.388 4.016 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3F)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000017861045 560729756 /nfs/dbraw/zinc/72/97/56/560729756.db2.gz UABRJPJIQRLWQC-QHAWAJNXSA-N 0 3 406.388 4.016 50 0 HIAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4C)[C@@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000017991868 560733173 /nfs/dbraw/zinc/73/31/73/560733173.db2.gz NBDBZMFKTUEVEG-QHAWAJNXSA-N 0 3 420.490 4.116 50 0 HIAAHN CCCC[C@@H]1[C@H]2C(=O)N(c3ccc(OCCC)cc3)C([O-])=C2ON1c1ccccc1 ZINC000018067822 560774579 /nfs/dbraw/zinc/77/45/79/560774579.db2.gz HTHMRCIAPOXXJW-VSKRKVRLSA-N 0 3 408.498 4.344 50 0 HIAAHN CCCC[C@@H]1[C@H]2C(=O)N(c3ccc(OCCC)cc3)C(=O)C2ON1c1ccccc1 ZINC000018067822 560774581 /nfs/dbraw/zinc/77/45/81/560774581.db2.gz HTHMRCIAPOXXJW-VSKRKVRLSA-N 0 3 408.498 4.344 50 0 HIAAHN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccccc4)C(=O)[C@]32C)cc1 ZINC000102693185 560819908 /nfs/dbraw/zinc/81/99/08/560819908.db2.gz GBDLERWZMUYQPR-HWBMXIPRSA-N 0 3 414.461 4.136 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)c(C)c1 ZINC000102708462 560820799 /nfs/dbraw/zinc/82/07/99/560820799.db2.gz LKAMQFQKVLEIFI-YTFSRNRJSA-N 0 3 414.461 4.060 50 0 HIAAHN O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1cccnc1 ZINC000102732636 560822614 /nfs/dbraw/zinc/82/26/14/560822614.db2.gz XAMWYDMNVIRRQK-RBZQAINGSA-N 0 3 421.456 4.286 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccnc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102732636 560822616 /nfs/dbraw/zinc/82/26/16/560822616.db2.gz XAMWYDMNVIRRQK-RBZQAINGSA-N 0 3 421.456 4.286 50 0 HIAAHN COCCN(C[C@@H]1CN(Cc2ccc(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000105050406 560860828 /nfs/dbraw/zinc/86/08/28/560860828.db2.gz XMJZRTUJAVPONG-NZQKXSOJSA-N 0 3 416.537 4.074 50 0 HIAAHN Cc1cccc(Cn2c(CN3CCC(C(=O)NC4CC4)CC3)cc3ccccc32)c1 ZINC000046055881 568425709 /nfs/dbraw/zinc/42/57/09/568425709.db2.gz HKRNLQXLOFOXPE-UHFFFAOYSA-N 0 3 401.554 4.489 50 0 HIAAHN CCOc1c(Br)cc(Br)cc1CNC[C@H]1CCCN1CC ZINC000022935896 568500737 /nfs/dbraw/zinc/50/07/37/568500737.db2.gz RIVHPPXPQQGEDK-CQSZACIVSA-N 0 3 420.189 4.184 50 0 HIAAHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)Cn1c2ccccc2nc1C1CC1 ZINC000095457779 568618738 /nfs/dbraw/zinc/61/87/38/568618738.db2.gz CFZWANXLCFDTMZ-UHFFFAOYSA-N 0 3 417.557 4.074 50 0 HIAAHN CN1CCN(CCc2cccc(NC(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)c2)CC1 ZINC000095457784 568618778 /nfs/dbraw/zinc/61/87/78/568618778.db2.gz XWTDBUHFUKATNV-FTJBHMTQSA-N 0 3 413.565 4.372 50 0 HIAAHN COc1ccc(C)cc1NC(=O)NCc1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000020927366 568651498 /nfs/dbraw/zinc/65/14/98/568651498.db2.gz YTKFYXLAVQEOAO-UHFFFAOYSA-N 0 3 410.543 4.165 50 0 HIAAHN Cc1cccc(-c2nc(CC(=O)N[C@H]3CN(Cc4ccccc4)C[C@@H]3C)cs2)c1 ZINC000095943233 568662508 /nfs/dbraw/zinc/66/25/08/568662508.db2.gz QPBUBGNWRFKWKO-AVRDEDQJSA-N 0 3 405.567 4.298 50 0 HIAAHN C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000095945473 568663490 /nfs/dbraw/zinc/66/34/90/568663490.db2.gz OVCPNPRBEQLVDK-WIYYLYMNSA-N 0 3 402.583 4.028 50 0 HIAAHN Cc1cc(O)c([C@H](c2cccc(F)c2)N2CCC(C)CC2)c(=O)n1Cc1ccco1 ZINC000021098226 568665942 /nfs/dbraw/zinc/66/59/42/568665942.db2.gz RLSVKWBWUSRTCQ-QHCPKHFHSA-N 0 3 410.489 4.464 50 0 aggregator HIAAHN CCC(CC)(C(=O)NCc1ccccc1CN1CC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000096006288 568682615 /nfs/dbraw/zinc/68/26/15/568682615.db2.gz KDUUFKAKKOBAOQ-QFIPXVFZSA-N 0 3 414.977 4.281 50 0 HIAAHN C[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)N1C[C@H](C)C[C@H](C)C1 ZINC000227156213 568699401 /nfs/dbraw/zinc/69/94/01/568699401.db2.gz TXXYCCYHVIPQLF-ZNMIVQPWSA-N 0 3 420.351 4.200 50 0 HIAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2C1=O ZINC000229988161 568716249 /nfs/dbraw/zinc/71/62/49/568716249.db2.gz FVYSIYMSOZLWHG-BHDDXSALSA-N 0 3 402.425 4.185 50 0 HIAAHN COc1ccccc1CCNCc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000248256127 568748239 /nfs/dbraw/zinc/74/82/39/568748239.db2.gz SLFOKJYOWLNXEV-UHFFFAOYSA-N 0 3 416.500 4.473 50 0 HIAAHN Fc1ccc(Cn2nc(CNCCCn3ccnc3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000261492639 568820550 /nfs/dbraw/zinc/82/05/50/568820550.db2.gz WNTDJYFFCZCJCC-UHFFFAOYSA-N 0 3 424.911 4.162 50 0 HIAAHN COc1ccc(CNC[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)cc1OC ZINC000005936012 568830483 /nfs/dbraw/zinc/83/04/83/568830483.db2.gz PNUUMSFMETUGDF-BKMJKUGQSA-N 0 3 421.537 4.269 50 0 HIAAHN COc1ccc(NC(C)=O)cc1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000057407755 568832954 /nfs/dbraw/zinc/83/29/54/568832954.db2.gz GRHWDTHJPQSVCU-OAQYLSRUSA-N 0 3 403.910 4.232 50 0 HIAAHN CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000003336506 568855282 /nfs/dbraw/zinc/85/52/82/568855282.db2.gz PSNJGFLDOSHKPU-DHIUTWEWSA-N 0 3 423.601 4.158 50 0 HIAAHN O=C(NC1CCN(Cc2cccs2)CC1)c1ccc(NCc2ccncc2)cc1 ZINC000670446886 568914747 /nfs/dbraw/zinc/91/47/47/568914747.db2.gz YGEARQFJAQHZFZ-UHFFFAOYSA-N 0 3 406.555 4.150 50 0 HIAAHN O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012737405 568925228 /nfs/dbraw/zinc/92/52/28/568925228.db2.gz DEWGEAJQZHERMI-GOSISDBHSA-N 0 3 409.917 4.318 50 0 HIAAHN CCN1CCN(CCNc2nc(-c3cccs3)nc3sc(C)c(C)c32)CC1 ZINC000031784579 568931284 /nfs/dbraw/zinc/93/12/84/568931284.db2.gz NFESLRDYLGOTAH-UHFFFAOYSA-N 0 3 401.605 4.086 50 0 HIAAHN O=C(CCN1CC=C(c2ccc(O)cc2)CC1)Nc1ccc(Br)cc1F ZINC000012759249 568943878 /nfs/dbraw/zinc/94/38/78/568943878.db2.gz XAWAEVWELWWDEJ-UHFFFAOYSA-N 0 3 419.294 4.412 50 0 HIAAHN Cc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@H]34)CC2)c1 ZINC000059415312 568953423 /nfs/dbraw/zinc/95/34/23/568953423.db2.gz OXHMUXCCSHTPES-ZSNBAVAXSA-N 0 3 408.586 4.431 50 0 HIAAHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1nnc(SCc2cccs2)s1 ZINC000084678440 568955576 /nfs/dbraw/zinc/95/55/76/568955576.db2.gz RCBZXYTZXNYZPC-HZMBPMFUSA-N 0 3 405.526 4.059 50 0 HIAAHN CCCCN(CC(=O)NCc1cccc(C(=O)NC2CC2)c1)[C@H](CC)c1ccccc1 ZINC000084744381 568957901 /nfs/dbraw/zinc/95/79/01/568957901.db2.gz JZXVSBCOXJJPAR-XMMPIXPASA-N 0 3 421.585 4.448 50 0 HIAAHN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000007990077 568966580 /nfs/dbraw/zinc/96/65/80/568966580.db2.gz CJYUXEWZCCOMEF-KRWDZBQOSA-N 0 3 415.331 4.406 50 0 HIAAHN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000007990076 568966630 /nfs/dbraw/zinc/96/66/30/568966630.db2.gz CJYUXEWZCCOMEF-QGZVFWFLSA-N 0 3 415.331 4.406 50 0 HIAAHN CN1CCc2c(CNC(=O)NC34CC5CC(CC(C5)C3)C4)c(-n3cccc3)sc2C1 ZINC000015679541 568967221 /nfs/dbraw/zinc/96/72/21/568967221.db2.gz JLRVGGWRLRHDAY-UHFFFAOYSA-N 0 3 424.614 4.295 50 0 HIAAHN Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)CN4CCCCC4)ccc3c2=O)c1 ZINC000001522230 569016473 /nfs/dbraw/zinc/01/64/73/569016473.db2.gz FLNHCFBECDJGOT-LJQANCHMSA-N 0 3 423.509 4.428 50 0 HIAAHN COc1ccc(CNC(=O)NC[C@H](c2csc3ccccc32)N(C)C)cc1OC ZINC000575621501 569039071 /nfs/dbraw/zinc/03/90/71/569039071.db2.gz OWYFQDVLVKSOPL-GOSISDBHSA-N 0 3 413.543 4.021 50 0 HIAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)c1 ZINC000136159993 569053641 /nfs/dbraw/zinc/05/36/41/569053641.db2.gz FCFTXJGUUHNPLC-FDFHNCONSA-N 0 3 402.425 4.185 50 0 HIAAHN CCn1cc(CN2CCC(C(=O)NCc3ccccn3)CC2)c2cc(Cl)ccc21 ZINC000064669704 569078844 /nfs/dbraw/zinc/07/88/44/569078844.db2.gz GGXPKQAGMCTEIR-UHFFFAOYSA-N 0 3 410.949 4.238 50 0 HIAAHN Cc1ccccc1CN(Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1ccccc1C ZINC000036104631 569092705 /nfs/dbraw/zinc/09/27/05/569092705.db2.gz KRDWRZIDRRQMTK-HSZRJFAPSA-N 0 3 419.521 4.474 50 0 HIAAHN Cn1cc(NC(=O)NCCCN(Cc2ccco2)C2CCCC2)c2ccccc2c1=O ZINC000006724920 569100698 /nfs/dbraw/zinc/10/06/98/569100698.db2.gz VSPYLCMGNLWVOG-UHFFFAOYSA-N 0 3 422.529 4.088 50 0 HIAAHN C[C@H](NC(=O)OC(C)(C)C)C1CCN(C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000170591391 569240570 /nfs/dbraw/zinc/24/05/70/569240570.db2.gz QEVSHIVXWQYQLO-WMZOPIPTSA-N 0 3 411.587 4.011 50 0 HIAAHN COCC(=O)Nc1ccc2nc3c(c(Nc4ccc(OC)c(OC)c4)c2c1)CCCC3 ZINC000013366944 569412397 /nfs/dbraw/zinc/41/23/97/569412397.db2.gz HBWLKJVUROUVAU-UHFFFAOYSA-N 0 3 421.497 4.459 50 0 HIAAHN Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2cccs2)c1 ZINC000238901378 571046553 /nfs/dbraw/zinc/04/65/53/571046553.db2.gz LTLGWXSSEIRPKA-NJDAHSKKSA-N 0 3 404.491 4.416 50 0 HIAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4C)[C@H](c4cccs4)[C@H]3C2=O)c1 ZINC000238901378 571046555 /nfs/dbraw/zinc/04/65/55/571046555.db2.gz LTLGWXSSEIRPKA-NJDAHSKKSA-N 0 3 404.491 4.416 50 0 HIAAHN COc1ccc(CNCCSc2ccc(Br)cc2)c(OC)c1OC ZINC000008756517 571113655 /nfs/dbraw/zinc/11/36/55/571113655.db2.gz UOFPGFZSTINAFU-UHFFFAOYSA-N 0 3 412.349 4.357 50 0 HIAAHN CCN(CC)[C@H](CNC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccsc1 ZINC000040103940 571164747 /nfs/dbraw/zinc/16/47/47/571164747.db2.gz BJDXKSZCRCPMIT-LJQANCHMSA-N 0 3 400.548 4.080 50 0 HIAAHN COc1ccc([C@@H](CNC(=O)Nc2cccnc2Oc2ccccc2)N(C)C)cc1 ZINC000040121152 571177204 /nfs/dbraw/zinc/17/72/04/571177204.db2.gz ZANIBLZPHQMSEU-OAQYLSRUSA-N 0 3 406.486 4.307 50 0 HIAAHN COC1CCN(Cc2ccc(C(=O)NCCc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000040152341 571200083 /nfs/dbraw/zinc/20/00/83/571200083.db2.gz CHZUHFGCGNHPCF-UHFFFAOYSA-N 0 3 420.475 4.289 50 0 HIAAHN Cc1ccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)C[C@H]2CCCO2)c(C)c1 ZINC000245279941 571222638 /nfs/dbraw/zinc/22/26/38/571222638.db2.gz KMJNBVKULZSWQF-FYYLOGMGSA-N 0 3 403.950 4.378 50 0 HIAAHN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CCN(CC)CC2)cc1 ZINC000010214363 571296891 /nfs/dbraw/zinc/29/68/91/571296891.db2.gz QCWNNXQYBXFIDD-QFIPXVFZSA-N 0 3 421.541 4.449 50 0 HIAAHN C[C@@H]1Sc2ccc(C(=O)NCc3ccccc3CN3CCCCC3)cc2NC1=O ZINC000010280657 571299315 /nfs/dbraw/zinc/29/93/15/571299315.db2.gz RUMBSNVDNXECMN-INIZCTEOSA-N 0 3 409.555 4.035 50 0 HIAAHN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N2CCCC2)cc1F ZINC000010334069 571300633 /nfs/dbraw/zinc/30/06/33/571300633.db2.gz ABUNUUUGCREXER-QHCPKHFHSA-N 0 3 419.500 4.179 50 0 HIAAHN COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1cccc2ccccc21)N1CCCC1 ZINC000010335655 571300844 /nfs/dbraw/zinc/30/08/44/571300844.db2.gz BAVFCIALWPICII-QFIPXVFZSA-N 0 3 424.566 4.272 50 0 HIAAHN COC(=O)c1ccc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCCN24)cc1 ZINC000012458253 845872184 /nfs/dbraw/zinc/87/21/84/845872184.db2.gz HYSHBVZRHIIRBN-PTLVVNQVSA-N 0 3 424.928 4.065 50 0 HIAAHN O=C1CCC2(CCN(Cc3cccn3-c3cccnc3)CC2)N1Cc1ccccc1F ZINC000014880182 845989585 /nfs/dbraw/zinc/98/95/85/845989585.db2.gz ADKQORYGIQQJOK-UHFFFAOYSA-N 0 3 418.516 4.169 50 0 HIAAHN CC(C)(C)CN1CCN(c2cccc3c2C(=O)N(c2cccc(Cl)c2)C3=O)CC1 ZINC000015070279 846005525 /nfs/dbraw/zinc/00/55/25/846005525.db2.gz QZBFQBHZKDOSTN-UHFFFAOYSA-N 0 3 411.933 4.309 50 0 HIAAHN COc1ccc(/C=C/CN2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)cc1 ZINC000019799367 846373103 /nfs/dbraw/zinc/37/31/03/846373103.db2.gz UMOFAQDCEINNOL-BVBLWJPBSA-N 0 3 421.585 4.004 50 0 HIAAHN CN(Cc1ccccc1)C1(CNC(=O)[C@H]2CC(=O)c3ccccc32)Cc2ccccc2C1 ZINC000023367199 846690114 /nfs/dbraw/zinc/69/01/14/846690114.db2.gz VDEPZCSLMSPWNI-VWLOTQADSA-N 0 3 424.544 4.142 50 0 HIAAHN c1cn2c(n1)[C@@H](C1CCN(Cc3cccnc3)CC1)N(CCc1ccccc1)CCC2 ZINC000257193359 854234630 /nfs/dbraw/zinc/23/46/30/854234630.db2.gz YDKNAJPPOXWEEM-RUZDIDTESA-N 0 3 415.585 4.180 50 0 HIAAHN CN1CCC(O)(c2ccc3c(c2)CN(Cc2ccccc2C(F)(F)F)CCO3)CC1 ZINC000299770094 854281050 /nfs/dbraw/zinc/28/10/50/854281050.db2.gz OWYHTVBKAHWJCR-UHFFFAOYSA-N 0 3 420.475 4.013 50 0 HIAAHN Cc1cc(C)n(-c2nc3cc(C)ccc3nc2N2CCN(C3CCCCC3)CC2)n1 ZINC000004927675 132294846 /nfs/dbraw/zinc/29/48/46/132294846.db2.gz ZUXNKKNRAWXSCZ-UHFFFAOYSA-N 0 3 404.562 4.195 50 0 HIAAHN CN(C)CCNCc1cc(Br)ccc1OCc1ccc(F)cc1Cl ZINC000040720400 521788580 /nfs/dbraw/zinc/78/85/80/521788580.db2.gz VBWGSSHKKCJCFU-UHFFFAOYSA-N 0 3 415.734 4.472 50 0 HIAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2c[nH]c3ccccc23)C1 ZINC000045980537 524408528 /nfs/dbraw/zinc/40/85/28/524408528.db2.gz GGFKDSRJSSHFOQ-IBGZPJMESA-N 0 3 405.542 4.203 50 0 HIAAHN COc1ccccc1CCNCc1ccccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040732889 524422707 /nfs/dbraw/zinc/42/27/07/524422707.db2.gz FZHXRJDCTHKTMS-UHFFFAOYSA-N 0 3 404.510 4.353 50 0 HIAAHN COc1cccc(CNCCCn2ccnc2)c1OCc1c(F)cccc1Cl ZINC000040719398 526017736 /nfs/dbraw/zinc/01/77/36/526017736.db2.gz XXSWYBOQWXTRQY-UHFFFAOYSA-N 0 3 403.885 4.443 50 0 HIAAHN CSc1ccccc1CN1CCC(CNC(=O)c2cc(-c3ccco3)on2)CC1 ZINC000043991291 526158890 /nfs/dbraw/zinc/15/88/90/526158890.db2.gz BMUVLZRKNZYSMN-UHFFFAOYSA-N 0 3 411.527 4.299 50 0 HIAAHN Cc1cc(C(=O)N2CCN(C3CCCCC3)CC2)c2cc(Br)ccc2n1 ZINC000032961451 526253157 /nfs/dbraw/zinc/25/31/57/526253157.db2.gz WTSSDICVUJNUMN-UHFFFAOYSA-N 0 3 416.363 4.396 50 0 HIAAHN OCCNCc1cc(Br)ccc1OCc1c(Cl)cccc1Cl ZINC000040739443 527554830 /nfs/dbraw/zinc/55/48/30/527554830.db2.gz JLFGNMKQFYDRGL-UHFFFAOYSA-N 0 3 405.119 4.417 50 0 HIAAHN O=C(NCCN1CCCC1)c1csc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000034711725 557391116 /nfs/dbraw/zinc/39/11/16/557391116.db2.gz HZQNNCPIFOZBTK-UHFFFAOYSA-N 0 3 407.539 4.215 50 0 HIAAHN CCOC(=O)c1ccc(NC(=S)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000004710320 557585710 /nfs/dbraw/zinc/58/57/10/557585710.db2.gz MAJRTLHJNGZEGX-UHFFFAOYSA-N 0 3 417.600 4.123 50 0 HIAAHN CCN1CCC[C@H]1CN[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000022921899 558263901 /nfs/dbraw/zinc/26/39/01/558263901.db2.gz BGJMXTWCMLLLQP-GHTZIAJQSA-N 0 3 401.938 4.102 50 0 HIAAHN O=C(c1cnn(-c2ccccc2)c1)N1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000011815401 558279349 /nfs/dbraw/zinc/27/93/49/558279349.db2.gz NCDBJRCABRETPB-RUZDIDTESA-N 0 3 418.516 4.140 50 0 HIAAHN COc1ccc(NC(=O)CC2C(=O)N(C3CCCCC3)c3nc4ccccc4n32)cc1 ZINC000019817411 558287900 /nfs/dbraw/zinc/28/79/00/558287900.db2.gz QPTLYHQDVOCJHM-OAQYLSRUSA-N 0 3 418.497 4.294 50 0 HIAAHN COc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000011997453 558307278 /nfs/dbraw/zinc/30/72/78/558307278.db2.gz VUORXJCEAPCQMS-QFIPXVFZSA-N 0 3 420.553 4.416 50 0 HIAAHN O=C1CC[C@@H](CCNCc2ccccc2F)N1Cc1ccc(OC(F)(F)F)cc1 ZINC000012041625 558313132 /nfs/dbraw/zinc/31/31/32/558313132.db2.gz ZYWISEVIIYCQCS-KRWDZBQOSA-N 0 3 410.411 4.395 50 0 HIAAHN Cc1ccc(NC(=O)CC2C(=O)N(Cc3ccco3)c3nc4ccccc4n32)cc1 ZINC000020103474 558332601 /nfs/dbraw/zinc/33/26/01/558332601.db2.gz QEJTZVNRGOUZHF-FQEVSTJZSA-N 0 3 400.438 4.054 50 0 HIAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)c2csc(C(C)C)n2)CC1 ZINC000012200186 558351039 /nfs/dbraw/zinc/35/10/39/558351039.db2.gz CNLCFETTXRGREY-UHFFFAOYSA-N 0 3 415.603 4.302 50 0 HIAAHN CC(C)N(Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)C[C@@H]1CCC(=O)N1 ZINC000012209836 558353783 /nfs/dbraw/zinc/35/37/83/558353783.db2.gz BLNKQMHOOIWTBF-NRFANRHFSA-N 0 3 418.541 4.368 50 0 HIAAHN CN(CCc1ccccn1)[C@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000012300426 558370432 /nfs/dbraw/zinc/37/04/32/558370432.db2.gz IURMVSXIHAUGCJ-KRWDZBQOSA-N 0 3 406.452 4.271 50 0 HIAAHN CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(Cc2c(C)nn(CC)c2C)C1 ZINC000012387105 558395844 /nfs/dbraw/zinc/39/58/44/558395844.db2.gz ZSVFQVZHQZOHGJ-DEOSSOPVSA-N 0 3 413.562 4.134 50 0 HIAAHN Cc1ncoc1C(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000012438831 558410318 /nfs/dbraw/zinc/41/03/18/558410318.db2.gz PCFITGKEXNPDQW-UHFFFAOYSA-N 0 3 409.452 4.029 50 0 HIAAHN CN(C(=O)c1cc(-c2ccccc2)on1)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012476821 558422756 /nfs/dbraw/zinc/42/27/56/558422756.db2.gz OBAZFKGFCJDEJY-NRFANRHFSA-N 0 3 401.510 4.045 50 0 HIAAHN CN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccc(Cl)c1 ZINC000004337846 558423508 /nfs/dbraw/zinc/42/35/08/558423508.db2.gz YBEOMFXSUFUEJZ-IBGZPJMESA-N 0 3 414.864 4.082 50 0 HIAAHN CCOC(=O)C1(CCOc2ccccc2)CCN([C@H](C)Cn2nc(C)cc2C)CC1 ZINC000012572920 558429763 /nfs/dbraw/zinc/42/97/63/558429763.db2.gz OSXCKNYUGLWMJL-OAQYLSRUSA-N 0 3 413.562 4.003 50 0 HIAAHN CCOc1ccccc1CN1CCC[C@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000012576093 558431050 /nfs/dbraw/zinc/43/10/50/558431050.db2.gz XQXZJYVDGFJINN-FQEVSTJZSA-N 0 3 404.514 4.122 50 0 HIAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)c2csc(C(C)C)n2)cc1 ZINC000012583363 558433303 /nfs/dbraw/zinc/43/33/03/558433303.db2.gz CBAHHGSXTYBQNA-UHFFFAOYSA-N 0 3 415.603 4.302 50 0 HIAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)c2ccc(F)cc2F)CC1 ZINC000012711602 558452805 /nfs/dbraw/zinc/45/28/05/558452805.db2.gz FRFGBRHIDDPEQW-UHFFFAOYSA-N 0 3 402.485 4.000 50 0 HIAAHN O=C(CC[C@@H]1CCCN(Cc2ccc3nonc3c2)C1)NCc1ccccc1Cl ZINC000012714237 558454406 /nfs/dbraw/zinc/45/44/06/558454406.db2.gz CKGVHRBXJNMEBC-INIZCTEOSA-N 0 3 412.921 4.185 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000013619179 558550169 /nfs/dbraw/zinc/55/01/69/558550169.db2.gz KLLBZQNNBYKXME-NJDAHSKKSA-N 0 3 404.853 4.391 50 0 HIAAHN COc1cc(CNCCCN2CCCC2=O)cc(Cl)c1OCc1ccccc1 ZINC000013727639 558585222 /nfs/dbraw/zinc/58/52/22/558585222.db2.gz RUDFMVZWUHSGQP-UHFFFAOYSA-N 0 3 402.922 4.030 50 0 HIAAHN CSc1nc2sc3c(c2c2nnc(SCCN4CCCC4)n21)CC[C@@H](C)C3 ZINC000013728027 558585467 /nfs/dbraw/zinc/58/54/67/558585467.db2.gz QRRDRMYWWZKQLG-GFCCVEGCSA-N 0 3 419.645 4.374 50 0 HIAAHN CCN(CC)[C@H](CNC(=O)CCc1nnc(-c2ccc(C)cc2)o1)c1ccccc1 ZINC000024968822 558622909 /nfs/dbraw/zinc/62/29/09/558622909.db2.gz ZWJXVEWGBSVHFO-OAQYLSRUSA-N 0 3 406.530 4.177 50 0 HIAAHN CCN(CC)[C@@H](CNC(=O)CCc1nnc(-c2ccc(C)cc2)o1)c1ccccc1 ZINC000024968817 558622954 /nfs/dbraw/zinc/62/29/54/558622954.db2.gz ZWJXVEWGBSVHFO-NRFANRHFSA-N 0 3 406.530 4.177 50 0 HIAAHN COc1ccc([C@@H](CNC2c3ccccc3-c3ccccc32)N2CCOCC2)cc1 ZINC000025702131 558648324 /nfs/dbraw/zinc/64/83/24/558648324.db2.gz FUWHNMFRKZLSRQ-RUZDIDTESA-N 0 3 400.522 4.428 50 0 HIAAHN Cc1ccc(-n2cc(CN(C)CCc3cnn(C)c3)c(-c3ccc(F)cc3)n2)cc1 ZINC000014966419 558685879 /nfs/dbraw/zinc/68/58/79/558685879.db2.gz NYSSQIJHCZJOEV-UHFFFAOYSA-N 0 3 403.505 4.395 50 0 HIAAHN COc1ccc(CN2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)cc1 ZINC000014988295 558693335 /nfs/dbraw/zinc/69/33/35/558693335.db2.gz DZPXESDLXTXDPR-HXUWFJFHSA-N 0 3 408.571 4.496 50 0 HIAAHN O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1c(F)cccc1F ZINC000015071929 558713526 /nfs/dbraw/zinc/71/35/26/558713526.db2.gz NSNGANGDVAREMT-AWEZNQCLSA-N 0 3 422.859 4.018 50 0 HIAAHN O=C(C1=CC2C=CC=C[C@H]2OC1=O)N1CCS[C@@H]1c1ccc2c3c(cccc31)CC2 ZINC000015218295 558728240 /nfs/dbraw/zinc/72/82/40/558728240.db2.gz HEPBFKUCIJPUDJ-NYQDVAGCSA-N 0 3 415.514 4.106 50 0 HIAAHN CCOc1cc(CN2CCCCC[C@@H]2c2ccc(C)s2)ccc1OCC(N)=O ZINC000033087232 558760737 /nfs/dbraw/zinc/76/07/37/558760737.db2.gz KJQDTPNEYHOOIE-GOSISDBHSA-N 0 3 402.560 4.437 50 0 HIAAHN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(Cc4cc(C)[nH]n4)C3)cc2)c1 ZINC000015935057 558763064 /nfs/dbraw/zinc/76/30/64/558763064.db2.gz MSSFTQMFPUPUOQ-HXUWFJFHSA-N 0 3 404.514 4.244 50 0 HIAAHN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCc2c1cccc2CN1CCCC1 ZINC000072306393 558765629 /nfs/dbraw/zinc/76/56/29/558765629.db2.gz CEKFMCLDKBYIFZ-RUZDIDTESA-N 0 3 415.537 4.136 50 0 HIAAHN CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000016402397 558790113 /nfs/dbraw/zinc/79/01/13/558790113.db2.gz GXXGDGGKWCMWJL-SFHVURJKSA-N 0 3 410.514 4.255 50 0 HIAAHN CCc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000016752235 558805018 /nfs/dbraw/zinc/80/50/18/558805018.db2.gz WAUVXIYCHOZRSF-JOCHJYFZSA-N 0 3 404.510 4.161 50 0 HIAAHN COc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000055531389 558881839 /nfs/dbraw/zinc/88/18/39/558881839.db2.gz BCNQJBGWWSBCRZ-UHFFFAOYSA-N 0 3 401.510 4.270 50 0 HIAAHN O=C(N[C@@H]1CCOc2ccc(Br)cc21)c1cccc(CN2CCCC2)c1 ZINC000058393476 558923735 /nfs/dbraw/zinc/92/37/35/558923735.db2.gz FJQFKNKGXKJIRX-LJQANCHMSA-N 0 3 415.331 4.299 50 0 HIAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC[C@@](C)(O)C2)cc1F ZINC000072463178 558983095 /nfs/dbraw/zinc/98/30/95/558983095.db2.gz FEBKZKWBCTXAJK-XMMPIXPASA-N 0 3 409.505 4.342 50 0 HIAAHN CN1CCCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC1 ZINC000072479996 558984038 /nfs/dbraw/zinc/98/40/38/558984038.db2.gz FAYWYDAUGOHTMM-UHFFFAOYSA-N 0 3 409.917 4.421 50 0 HIAAHN Cc1ccc([C@@H](C(=O)NCC(C)(C)N2CCCCC2)N2Cc3ccccc3C2=O)cc1 ZINC000033313877 559055276 /nfs/dbraw/zinc/05/52/76/559055276.db2.gz AIFZLIWCWBIDQH-QHCPKHFHSA-N 0 3 419.569 4.073 50 0 HIAAHN CCn1c2ccccc2c2sc(C(=O)NCCN(C)Cc3ccccc3)cc2c1=O ZINC000004939198 559211657 /nfs/dbraw/zinc/21/16/57/559211657.db2.gz RGUHUPDNISPOHW-UHFFFAOYSA-N 0 3 419.550 4.098 50 0 HIAAHN CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(OC)c(OC)c3)=NN12 ZINC000005091869 559243870 /nfs/dbraw/zinc/24/38/70/559243870.db2.gz VGSRHLPIAYRICC-FQEVSTJZSA-N 0 3 407.514 4.059 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000137881121 559281144 /nfs/dbraw/zinc/28/11/44/559281144.db2.gz TYJWFNFJWIQGNP-PWRODBHTSA-N 0 3 406.388 4.016 50 0 HIAAHN CCN(CC)CCSc1nc(-c2ccc(OC)cc2)nc2c1COC(C)(C)C2 ZINC000005205549 560539336 /nfs/dbraw/zinc/53/93/36/560539336.db2.gz MAOQCQDFTXCKEK-UHFFFAOYSA-N 0 3 401.576 4.437 50 0 HIAAHN Cc1cc2oc3c(c(=O)c2cc1Cl)C(c1ccccn1)N(c1ccccn1)C3=O ZINC000005305198 560563276 /nfs/dbraw/zinc/56/32/76/560563276.db2.gz CJNXAZIWKPYTPA-LJQANCHMSA-N 0 3 403.825 4.295 50 0 HIAAHN O=C(CSC1=NCCN1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000005415899 560584678 /nfs/dbraw/zinc/58/46/78/560584678.db2.gz WLEUIZXPJJXENL-QFIPXVFZSA-N 0 3 414.534 4.210 50 0 HIAAHN CC(C)(CN1CCC(Cc2ccccc2)CC1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000005497082 560598163 /nfs/dbraw/zinc/59/81/63/560598163.db2.gz CSTJRWIZOXVQSN-UHFFFAOYSA-N 0 3 421.006 4.352 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000017749850 560725428 /nfs/dbraw/zinc/72/54/28/560725428.db2.gz GUSRRSRXMWIWQD-TZRRMPRUSA-N 0 3 421.456 4.286 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1C ZINC000102663065 560819326 /nfs/dbraw/zinc/81/93/26/560819326.db2.gz AOEICVJWOJBSDO-YTFSRNRJSA-N 0 3 416.452 4.494 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102709939 560820920 /nfs/dbraw/zinc/82/09/20/560820920.db2.gz FSDUJCWLMIKSOR-PCCBWWKXSA-N 0 3 420.852 4.097 50 0 HIAAHN CCN(CC)C(=O)C1CCN(Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000000785876 568477057 /nfs/dbraw/zinc/47/70/57/568477057.db2.gz WVFYQQQBBBGBJX-UHFFFAOYSA-N 0 3 410.558 4.355 50 0 HIAAHN Cc1ccc(C(=O)N2C(=S)C(c3ccccc3)=NC23CCN(C(C)C)CC3)cc1 ZINC000020436095 568607098 /nfs/dbraw/zinc/60/70/98/568607098.db2.gz ZPYHEVVMMOJWFA-UHFFFAOYSA-N 0 3 405.567 4.468 50 0 HIAAHN CN1CC[C@H]2[C@H](CCCN2C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)C1 ZINC000095452798 568615453 /nfs/dbraw/zinc/61/54/53/568615453.db2.gz ITDHDBLCBYQMEP-UZLBHIALSA-N 0 3 414.937 4.262 50 0 HIAAHN O=C(c1cccc(N[C@@H]2CCCN(Cc3ccccc3)C2)c1)N1CCCC[C@@H]1CCO ZINC000095457156 568617994 /nfs/dbraw/zinc/61/79/94/568617994.db2.gz OHEWWTSYTUCAFM-JWQCQUIFSA-N 0 3 421.585 4.140 50 0 HIAAHN COCCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)N2CCC(C)CC2)c1=O ZINC000021097971 568665417 /nfs/dbraw/zinc/66/54/17/568665417.db2.gz VJZWFTKNDQACDV-JOCHJYFZSA-N 0 3 416.587 4.052 50 0 HIAAHN O=C(Cc1ccc(NCc2ccc(F)c(Cl)c2)cc1)NCCN1CCCCC1 ZINC000096294800 568666555 /nfs/dbraw/zinc/66/65/55/568666555.db2.gz JHWOMSBXPYSLEL-UHFFFAOYSA-N 0 3 403.929 4.236 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000229968940 568716259 /nfs/dbraw/zinc/71/62/59/568716259.db2.gz JCPFPKCJPGQIBH-XUVXKRRUSA-N 0 3 408.841 4.293 50 0 HIAAHN CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccs1 ZINC000229979932 568716370 /nfs/dbraw/zinc/71/63/70/568716370.db2.gz PDRWURHQLPIHQI-PWRODBHTSA-N 0 3 420.490 4.198 50 0 HIAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C1=O ZINC000229979932 568716374 /nfs/dbraw/zinc/71/63/74/568716374.db2.gz PDRWURHQLPIHQI-PWRODBHTSA-N 0 3 420.490 4.198 50 0 HIAAHN Cc1cccc(-c2nocc2CCC(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000096386666 568743187 /nfs/dbraw/zinc/74/31/87/568743187.db2.gz COBLXFKOTRSSIA-UHFFFAOYSA-N 0 3 403.526 4.363 50 0 HIAAHN CCc1cc2c(ncnc2NCCCN2CCN(c3cc(C)ccc3C)CC2)s1 ZINC000021716292 568749855 /nfs/dbraw/zinc/74/98/55/568749855.db2.gz CYJOCZOLBGPOHB-UHFFFAOYSA-N 0 3 409.603 4.495 50 0 HIAAHN CCN1CCC[C@@H]1CN[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000022038296 568764367 /nfs/dbraw/zinc/76/43/67/568764367.db2.gz BGJMXTWCMLLLQP-NQIIRXRSSA-N 0 3 401.938 4.102 50 0 HIAAHN COc1ccc2ccccc2c1CCC(=O)N1CC[C@@H](N2CCc3ccccc3C2)C1 ZINC000225685823 568778899 /nfs/dbraw/zinc/77/88/99/568778899.db2.gz QHPCMXXFBZVXGC-HSZRJFAPSA-N 0 3 414.549 4.440 50 0 HIAAHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000056866349 568819958 /nfs/dbraw/zinc/81/99/58/568819958.db2.gz GHBWITJMAJYYHP-OAHLLOKOSA-N 0 3 409.452 4.262 50 0 HIAAHN CCN(CC)CCNCc1nn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1 ZINC000261492181 568820457 /nfs/dbraw/zinc/82/04/57/568820457.db2.gz SYPYEPMGPZBKPV-UHFFFAOYSA-N 0 3 415.944 4.217 50 0 HIAAHN CCN1CCC(NC(=O)c2cccnc2Sc2ccc(Br)cc2)CC1 ZINC000029608718 568827777 /nfs/dbraw/zinc/82/77/77/568827777.db2.gz AWOBTOCMICGLJR-UHFFFAOYSA-N 0 3 420.376 4.209 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)N[C@@H](C)c3ccc(OC)c(F)c3)cc2C)CC1 ZINC000058099408 568885513 /nfs/dbraw/zinc/88/55/13/568885513.db2.gz ZTLODAJJPZGBHY-KRWDZBQOSA-N 0 3 414.525 4.167 50 0 HIAAHN CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000031550445 568927802 /nfs/dbraw/zinc/92/78/02/568927802.db2.gz HFKSEDAVJBGVPE-UHFFFAOYSA-N 0 3 411.571 4.105 50 0 HIAAHN CCOc1ccc(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)cc1 ZINC000004193229 568950652 /nfs/dbraw/zinc/95/06/52/568950652.db2.gz ZIAIGVHNYBJCON-UHFFFAOYSA-N 0 3 403.482 4.262 50 0 HIAAHN Cc1cccc2sc(N(Cc3cccnc3)C(=O)C3COc4ccccc4O3)nc21 ZINC000004273228 568957658 /nfs/dbraw/zinc/95/76/58/568957658.db2.gz DOKDSFOEXQZMGM-LJQANCHMSA-N 0 3 417.490 4.373 50 0 HIAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CSc1nc(C)nc2ccccc21 ZINC000245257185 569055576 /nfs/dbraw/zinc/05/55/76/569055576.db2.gz WPRFCXGUCIRKHE-DENIHFKCSA-N 0 3 418.566 4.173 50 0 HIAAHN Cn1cc(CN2CCC(C(=O)NCc3ccccc3F)CC2)c2cc(Cl)ccc21 ZINC000065060087 569163913 /nfs/dbraw/zinc/16/39/13/569163913.db2.gz WPRPGBHEFHICPN-UHFFFAOYSA-N 0 3 413.924 4.499 50 0 HIAAHN Cn1cc(CN2CCC(C(=O)NCc3cccc(F)c3)CC2)c2cc(Cl)ccc21 ZINC000065060101 569163972 /nfs/dbraw/zinc/16/39/72/569163972.db2.gz IZLIVQCSWCUWKV-UHFFFAOYSA-N 0 3 413.924 4.499 50 0 HIAAHN CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H](CN3CCc4ccccc4C3)C2)cc1 ZINC000006877400 569164192 /nfs/dbraw/zinc/16/41/92/569164192.db2.gz GJCGQHRRHPIOEC-IBGZPJMESA-N 0 3 421.541 4.166 50 0 HIAAHN Cc1cc(O)c([C@@H](c2ccccc2)N2CCC(C)CC2)c(=O)n1Cc1cccnc1 ZINC000016993814 569270864 /nfs/dbraw/zinc/27/08/64/569270864.db2.gz FVHSSMRGFYTAMG-XMMPIXPASA-N 0 3 403.526 4.127 50 0 HIAAHN COc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCC(C)CC2)cc1 ZINC000016993880 569270877 /nfs/dbraw/zinc/27/08/77/569270877.db2.gz ZARGHPFYAMMOSH-DEOSSOPVSA-N 0 3 422.525 4.334 50 0 HIAAHN COC[C@H](c1cccc(C(F)(F)F)c1)N(C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000252536373 569292876 /nfs/dbraw/zinc/29/28/76/569292876.db2.gz IHRBAUWKEGMRHW-DYESRHJHSA-N 0 3 420.475 4.487 50 0 HIAAHN CC(C)[C@H](CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccnc1 ZINC000252552557 569294253 /nfs/dbraw/zinc/29/42/53/569294253.db2.gz UWGHQFZQZXVTHR-PWRODBHTSA-N 0 3 419.491 4.248 50 0 HIAAHN CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(CC)CC)c1 ZINC000002235096 569321255 /nfs/dbraw/zinc/32/12/55/569321255.db2.gz CVUFXTDUEOOAER-QFIPXVFZSA-N 0 3 420.509 4.079 50 0 HIAAHN CCN1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccccc1Cl ZINC000002705699 569322278 /nfs/dbraw/zinc/32/22/78/569322278.db2.gz XWBTYQIQCAIGNI-UHFFFAOYSA-N 0 3 411.958 4.425 50 0 HIAAHN COc1cc(CNCc2ccccc2)ccc1Oc1nc2ccccc2n2cnnc12 ZINC000002242130 569323608 /nfs/dbraw/zinc/32/36/08/569323608.db2.gz GZYCVSDXEKTBNB-UHFFFAOYSA-N 0 3 411.465 4.368 50 0 HIAAHN O=C(CN1CCC(Cc2ccccc2)CC1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000002293718 569369289 /nfs/dbraw/zinc/36/92/89/569369289.db2.gz BAZFPNWWURAWMJ-UHFFFAOYSA-N 0 3 405.517 4.146 50 0 HIAAHN Cc1ccc(CN(C)C)cc1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC000079013786 569423608 /nfs/dbraw/zinc/42/36/08/569423608.db2.gz COQAGPUPRHEMAH-UHFFFAOYSA-N 0 3 415.541 4.441 50 0 HIAAHN O=C(c1cnc2ccc(F)cc2c1N1CCN(C2CCCCC2)CC1)N1CCCCC1 ZINC000067288137 571066158 /nfs/dbraw/zinc/06/61/58/571066158.db2.gz WXSMFWUUJVCNLZ-UHFFFAOYSA-N 0 3 424.564 4.455 50 0 HIAAHN O=C(C1COc2ccccc2O1)N(Cc1cccnc1)c1nc2c(cccc2F)s1 ZINC000008601562 571090287 /nfs/dbraw/zinc/09/02/87/571090287.db2.gz JYIRNWDZAXOPBE-GOSISDBHSA-N 0 3 421.453 4.204 50 0 HIAAHN COc1ccc([C@H](CNC(=O)NCCc2ccc(Cl)cc2)N2CCCC2)cc1 ZINC000040001140 571137647 /nfs/dbraw/zinc/13/76/47/571137647.db2.gz KSCKXBCGOYTECU-NRFANRHFSA-N 0 3 401.938 4.027 50 0 HIAAHN COc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2Cl)N2CCCC2)cc1 ZINC000008935324 571163651 /nfs/dbraw/zinc/16/36/51/571163651.db2.gz VPLQXKGEULTZKJ-HXUWFJFHSA-N 0 3 407.341 4.498 50 0 HIAAHN CC(C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000040106067 571166749 /nfs/dbraw/zinc/16/67/49/571166749.db2.gz HNFKIUSWTJIMQG-QWHCGFSZSA-N 0 3 400.327 4.174 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)c3oc4c(c3C)C(=O)CC(C)(C)C4)c(C)c2)CC1 ZINC000040115443 571173082 /nfs/dbraw/zinc/17/30/82/571173082.db2.gz HEVNTBFDNFMLKK-UHFFFAOYSA-N 0 3 423.557 4.446 50 0 HIAAHN NC(=O)c1ccc(CN2CCC3(C[C@H]3c3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000069663101 571237352 /nfs/dbraw/zinc/23/73/52/571237352.db2.gz JFGYPZOLMBGDPN-IBGZPJMESA-N 0 3 422.916 4.259 50 0 HIAAHN O=C(C1COc2ccccc2O1)N(Cc1ccccn1)c1nc2c(cccc2F)s1 ZINC000010187587 571296008 /nfs/dbraw/zinc/29/60/08/571296008.db2.gz LDXBAUJGTQPKBL-GOSISDBHSA-N 0 3 421.453 4.204 50 0 HIAAHN Cc1ccc(CCC(=O)NC[C@H]2CCC3(CCN(Cc4ccc(F)cc4)CC3)O2)cc1 ZINC000011838925 845838235 /nfs/dbraw/zinc/83/82/35/845838235.db2.gz VBSFAWQXDICCAZ-XMMPIXPASA-N 0 3 424.560 4.397 50 0 HIAAHN Clc1ccc(-n2cccc2CN2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)nc1 ZINC000012434881 845871464 /nfs/dbraw/zinc/87/14/64/845871464.db2.gz JNHMFHBDSASAEW-IBGZPJMESA-N 0 3 424.932 4.373 50 0 HIAAHN Fc1cccc2ccc(CN3CCC[C@H](N4CCN(c5ccccc5)CC4)C3)nc12 ZINC000019800211 846372252 /nfs/dbraw/zinc/37/22/52/846372252.db2.gz UQIFHKOXXRJBKL-QHCPKHFHSA-N 0 3 404.533 4.161 50 0 HIAAHN COc1ccc(/C=C/CN2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)cc1 ZINC000019799365 846372324 /nfs/dbraw/zinc/37/23/24/846372324.db2.gz UMOFAQDCEINNOL-NKOINVLESA-N 0 3 421.585 4.004 50 0 HIAAHN c1ccc(-c2noc(C[C@@H]3CCOC4(CCN(Cc5cccnc5)CC4)C3)n2)cc1 ZINC000257196396 854235715 /nfs/dbraw/zinc/23/57/15/854235715.db2.gz YDSMCQHYOBLZRD-IBGZPJMESA-N 0 3 404.514 4.136 50 0 HIAAHN Cc1cc(-c2cc3c(c(OCC4(C)COC4)c2)OCCNC3)nc2cc(F)ccc12 ZINC000299761073 854281024 /nfs/dbraw/zinc/28/10/24/854281024.db2.gz QXADQUOXYNUHDV-UHFFFAOYSA-N 0 3 408.473 4.247 50 0 HIAAHN Cn1cccc1CN1CC[C@@H](Oc2ccc(-c3noc(-c4ccccc4)n3)cc2)C1 ZINC000575313732 948643140 /nfs/dbraw/zinc/64/31/40/948643140.db2.gz NZAVJNCZURCHEK-JOCHJYFZSA-N 0 3 400.482 4.395 50 0 HIAAHN CCOc1cc(CNCCOCCO)ccc1OCc1c(Cl)cccc1Cl ZINC000040736998 520716109 /nfs/dbraw/zinc/71/61/09/520716109.db2.gz LRIDAWHBLQPZNB-UHFFFAOYSA-N 0 3 414.329 4.070 50 0 HIAAHN COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCCC3)no2)cc1 ZINC000032593965 523094710 /nfs/dbraw/zinc/09/47/10/523094710.db2.gz SOSCYUIVQUJNHF-QFIPXVFZSA-N 0 3 405.498 4.226 50 0 HIAAHN Cc1cccc(N2CCN(CCCCNC(=O)Cc3c(F)cccc3Cl)CC2)c1 ZINC000032067602 524556543 /nfs/dbraw/zinc/55/65/43/524556543.db2.gz MXMGXOOOBVNMRS-UHFFFAOYSA-N 0 3 417.956 4.049 50 0 HIAAHN COc1ccccc1[C@@H](CNCc1c(C)nn(-c2ccccc2)c1C)N1CCCC1 ZINC000032740419 524734365 /nfs/dbraw/zinc/73/43/65/524734365.db2.gz MPRVLMPRXMURMB-XMMPIXPASA-N 0 3 404.558 4.424 50 0 HIAAHN Cc1ccccc1CN1CCC(NC(=O)NCc2ccccc2OC(F)F)CC1 ZINC000045411942 525136465 /nfs/dbraw/zinc/13/64/65/525136465.db2.gz HFGRVBPXRQZOAR-UHFFFAOYSA-N 0 3 403.473 4.060 50 0 HIAAHN C[C@@H](NC[C@H](O)COc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000032899648 525495780 /nfs/dbraw/zinc/49/57/80/525495780.db2.gz UMGKXKDMRMOBMO-QUCCMNQESA-N 0 3 421.493 4.341 50 0 HIAAHN Cc1noc(-c2ccc(C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)cc2)n1 ZINC000032908322 526450648 /nfs/dbraw/zinc/45/06/48/526450648.db2.gz ZNONBQSKNASGCV-IBGZPJMESA-N 0 3 410.543 4.310 50 0 HIAAHN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)C1CCN(Cc2ccncc2)CC1 ZINC000032922032 526873463 /nfs/dbraw/zinc/87/34/63/526873463.db2.gz RZCXVXVCZIWRRH-JOCHJYFZSA-N 0 3 409.530 4.400 50 0 HIAAHN O=C(c1nc2sccn2c1CNC1Cc2ccccc2C1)N1CCCCCCC1 ZINC000020599726 526919839 /nfs/dbraw/zinc/91/98/39/526919839.db2.gz PPUQIQVELIGYCQ-UHFFFAOYSA-N 0 3 408.571 4.059 50 0 HIAAHN O=C(Nc1ccc(I)cc1)c1ccc(CN2CCCC2)cc1 ZINC000010336988 557271458 /nfs/dbraw/zinc/27/14/58/557271458.db2.gz HRVDIWMDFVAJSK-UHFFFAOYSA-N 0 3 406.267 4.139 50 0 HIAAHN Cc1ccc(OCCCN2CCc3ccccc3C2)c(I)c1 ZINC000002845303 557402535 /nfs/dbraw/zinc/40/25/35/557402535.db2.gz VQIUWMLECSTIKT-UHFFFAOYSA-N 0 3 407.295 4.427 50 0 HIAAHN COc1cccc([C@H]2CN(Cc3ccncc3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740292 557443736 /nfs/dbraw/zinc/44/37/36/557443736.db2.gz NQCIRBLFTLMGGH-UKILVPOCSA-N 0 3 423.601 4.446 50 0 HIAAHN COc1cccc(CN2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1 ZINC000006762191 557719976 /nfs/dbraw/zinc/71/99/76/557719976.db2.gz SBJJZCTXAHQMMQ-XMMPIXPASA-N 0 3 406.570 4.389 50 0 HIAAHN CCc1ccc([C@H](CNC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)N(C)C)cc1 ZINC000022684352 557766879 /nfs/dbraw/zinc/76/68/79/557766879.db2.gz ZHOJYGHLUMBPKS-QHCPKHFHSA-N 0 3 420.553 4.324 50 0 HIAAHN c1ccc(COc2ccc(CNCCSc3nnnn3-c3ccccc3)cc2)cc1 ZINC000009249983 557832729 /nfs/dbraw/zinc/83/27/29/557832729.db2.gz BSTYMSJRZUIZJR-UHFFFAOYSA-N 0 3 417.538 4.123 50 0 HIAAHN COc1cccc(CN2CCN([C@H](C)CCc3c[nH]c4ccccc34)CCC2=O)c1 ZINC000011783798 558275462 /nfs/dbraw/zinc/27/54/62/558275462.db2.gz SJAYSYNPFYWTAJ-LJQANCHMSA-N 0 3 405.542 4.232 50 0 HIAAHN O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCN(c2ccccc2)CC1 ZINC000019812284 558287241 /nfs/dbraw/zinc/28/72/41/558287241.db2.gz KLEQVSXZZXQLHH-UHFFFAOYSA-N 0 3 411.549 4.207 50 0 HIAAHN COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(Cc4ccc(CO)o4)C3)cc2)c1 ZINC000011878965 558293294 /nfs/dbraw/zinc/29/32/94/558293294.db2.gz FULXUEOVMWMBQT-FQEVSTJZSA-N 0 3 420.509 4.298 50 0 HIAAHN CN(C)[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)c1ccccc1 ZINC000011905202 558295732 /nfs/dbraw/zinc/29/57/32/558295732.db2.gz JMJFSVWEOGEPEH-SFHVURJKSA-N 0 3 414.303 4.137 50 0 HIAAHN COc1ccc(CN2CCC3(C[C@@H]3C(=O)Nc3cccc(F)c3)CC2)c(OC)c1C ZINC000011970515 558304696 /nfs/dbraw/zinc/30/46/96/558304696.db2.gz NAMKRNMTLLAGIK-HXUWFJFHSA-N 0 3 412.505 4.392 50 0 HIAAHN Cc1cccc(CN2CCC(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)CC2)c1 ZINC000020102796 558332434 /nfs/dbraw/zinc/33/24/34/558332434.db2.gz VGLCXZQCOCVTGH-IZZDOVSWSA-N 0 3 417.597 4.065 50 0 HIAAHN CO[C@H](C(=O)Nc1ccnn1C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000012193655 558348597 /nfs/dbraw/zinc/34/85/97/558348597.db2.gz HMELATZVBTVQCH-QHCPKHFHSA-N 0 3 404.514 4.046 50 0 HIAAHN Cc1c(Cl)cccc1NC(=O)COc1ccc(-c2cnccn2)cc1CN(C)C ZINC000012205118 558352608 /nfs/dbraw/zinc/35/26/08/558352608.db2.gz HNBOUPXQWYVQTF-UHFFFAOYSA-N 0 3 410.905 4.185 50 0 HIAAHN Cc1ccc(C)c(CN2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC2CC2)c1 ZINC000012244309 558361075 /nfs/dbraw/zinc/36/10/75/558361075.db2.gz OQXSTLOOCBVVHK-UGKGYDQZSA-N 0 3 420.582 4.194 50 0 HIAAHN FC(F)(F)c1ccccc1CN1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020449303 558364552 /nfs/dbraw/zinc/36/45/52/558364552.db2.gz AYORWNBJHCSFHE-NRFANRHFSA-N 0 3 403.492 4.492 50 0 HIAAHN Cc1cccn2c(CNCCc3ccccc3Cl)c(C(=O)N3CCCCC3)nc12 ZINC000020777040 558412179 /nfs/dbraw/zinc/41/21/79/558412179.db2.gz TZHRCVBSOLQHCH-UHFFFAOYSA-N 0 3 410.949 4.255 50 0 HIAAHN COc1ccccc1N1CCN([C@H]2CCCN(Cc3[nH]c4ccccc4c3C)C2)CC1 ZINC000020919142 558423441 /nfs/dbraw/zinc/42/34/41/558423441.db2.gz PSWSZLNEMPJBJV-NRFANRHFSA-N 0 3 418.585 4.272 50 0 HIAAHN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3cnn(C)c3C)CC2)c1 ZINC000012481143 558423489 /nfs/dbraw/zinc/42/34/89/558423489.db2.gz MRFVJNOXLGCDKH-UHFFFAOYSA-N 0 3 418.541 4.255 50 0 HIAAHN C/C(=C\c1ccccc1)CN1CCC(c2nnc(SC[C@H]3CCCO3)n2C)CC1 ZINC000012571226 558429046 /nfs/dbraw/zinc/42/90/46/558429046.db2.gz QXZRPGKHDQJXEN-BKBDBRRMSA-N 0 3 412.603 4.369 50 0 HIAAHN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)NCc1ccccc1CN1CCOCC1 ZINC000021702693 558446042 /nfs/dbraw/zinc/44/60/42/558446042.db2.gz HYWBGLHMOCPVLO-PMACEKPBSA-N 0 3 409.574 4.149 50 0 HIAAHN c1[nH]nc(-c2ccc3c(c2)OCO3)c1CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000023144520 558538080 /nfs/dbraw/zinc/53/80/80/558538080.db2.gz JVLZDTIQEXJJHJ-INIZCTEOSA-N 0 3 402.454 4.326 50 0 HIAAHN CCOC(=O)C1(CCc2ccccc2)CCN(Cc2cccc3nccnc23)CC1 ZINC000013596730 558547425 /nfs/dbraw/zinc/54/74/25/558547425.db2.gz IKTSDOJSFXENIG-UHFFFAOYSA-N 0 3 403.526 4.408 50 0 HIAAHN O=C(CC1C(=O)N(C2CCCCC2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000023382321 558555709 /nfs/dbraw/zinc/55/57/09/558555709.db2.gz KXEPMTPDKFWFFA-HXUWFJFHSA-N 0 3 406.461 4.425 50 0 HIAAHN COc1cccc(CNCCCN2CCCC2=O)c1OCc1ccc(Cl)cc1 ZINC000013727466 558584913 /nfs/dbraw/zinc/58/49/13/558584913.db2.gz WDSNYLGMMMKERD-UHFFFAOYSA-N 0 3 402.922 4.030 50 0 HIAAHN COc1cccc(CNCCCN2CCCC2=O)c1OCc1ccccc1Cl ZINC000013727468 558584943 /nfs/dbraw/zinc/58/49/43/558584943.db2.gz VFENECRPSNZOMF-UHFFFAOYSA-N 0 3 402.922 4.030 50 0 HIAAHN CCOc1cc(CNCc2cccs2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013855795 558598181 /nfs/dbraw/zinc/59/81/81/558598181.db2.gz DYNQWTQBAGASDM-UHFFFAOYSA-N 0 3 407.499 4.205 50 0 HIAAHN COc1ccc([C@@H](CNC[C@@H](O)COc2ccc3ccccc3c2)N2CCCC2)cc1 ZINC000025764581 558649193 /nfs/dbraw/zinc/64/91/93/558649193.db2.gz NBIHFXFSUINSAU-ZEQKJWHPSA-N 0 3 420.553 4.015 50 0 HIAAHN COc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)N2CCCCCC2)cc1 ZINC000027580488 558675733 /nfs/dbraw/zinc/67/57/33/558675733.db2.gz AKMMLLPXYFWNDE-QFIPXVFZSA-N 0 3 416.949 4.461 50 0 HIAAHN COc1ccc([C@H](CNC(=O)COc2ccc(C)c(C)c2)N2CCCCCC2)cc1 ZINC000027583176 558676299 /nfs/dbraw/zinc/67/62/99/558676299.db2.gz ARFKOGYYBXTZNN-DEOSSOPVSA-N 0 3 410.558 4.424 50 0 HIAAHN CN(Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@@H]1CCCCO1 ZINC000014972527 558688167 /nfs/dbraw/zinc/68/81/67/558688167.db2.gz ILXLHNJEVVYJAK-QFIPXVFZSA-N 0 3 419.525 4.328 50 0 HIAAHN COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NCc2ccc(O)c(OC)c2)cc1 ZINC000014975935 558689254 /nfs/dbraw/zinc/68/92/54/558689254.db2.gz WMZRIUBVDLGIFN-FQEVSTJZSA-N 0 3 407.514 4.398 50 0 HIAAHN CN(C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1cc(C2CC2)on1 ZINC000014976916 558689439 /nfs/dbraw/zinc/68/94/39/558689439.db2.gz AMPLBBKCGGULFK-KRWDZBQOSA-N 0 3 401.938 4.232 50 0 HIAAHN O=C(CCC1CCN(Cc2ccc(CO)o2)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000015073483 558714286 /nfs/dbraw/zinc/71/42/86/558714286.db2.gz FZIZKFCXPPHUIK-UHFFFAOYSA-N 0 3 424.463 4.099 50 0 HIAAHN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000011084041 558754020 /nfs/dbraw/zinc/75/40/20/558754020.db2.gz WRECMHSYIMMJPU-UHFFFAOYSA-N 0 3 402.542 4.190 50 0 HIAAHN O=C(NCCN1CCCCC1)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000033258010 558762909 /nfs/dbraw/zinc/76/29/09/558762909.db2.gz KJKOYQZCANBJJW-UHFFFAOYSA-N 0 3 401.514 4.103 50 0 HIAAHN O=C(CC[C@H]1CCCN(Cc2cccn2-c2ccccn2)C1)NCc1ccccc1F ZINC000019228548 558853175 /nfs/dbraw/zinc/85/31/75/558853175.db2.gz PHVRCUWRYUBLOS-HXUWFJFHSA-N 0 3 420.532 4.320 50 0 HIAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CNCCc1cccc(F)c1 ZINC000019229260 558853509 /nfs/dbraw/zinc/85/35/09/558853509.db2.gz VXQDKWLDEPDSDF-UHFFFAOYSA-N 0 3 408.521 4.130 50 0 HIAAHN CCCN1CCN(c2ncnc3sc(C(=O)Nc4ccc(C)c(C)c4)c(C)c32)CC1 ZINC000033048431 558885833 /nfs/dbraw/zinc/88/58/33/558885833.db2.gz LUAIEKYJHNJYKM-UHFFFAOYSA-N 0 3 423.586 4.401 50 0 HIAAHN CCCCc1nc2c(sc3nc(C)cc(COC)c32)c(=O)n1CCN(CC)CC ZINC000004623967 558887596 /nfs/dbraw/zinc/88/75/96/558887596.db2.gz PSGHTOAIUOXCNS-UHFFFAOYSA-N 0 3 416.591 4.145 50 0 HIAAHN C[C@]12C(=O)N(c3ccc(F)cc3)C(=O)C1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000004693732 558903941 /nfs/dbraw/zinc/90/39/41/558903941.db2.gz GBTGNQFSCNVAKQ-YZUZCNPQSA-N 0 3 402.425 4.267 50 0 HIAAHN O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000058381695 558923104 /nfs/dbraw/zinc/92/31/04/558923104.db2.gz UQCMLBGWPKXULB-FQEVSTJZSA-N 0 3 411.977 4.195 50 0 HIAAHN Cc1ccc(-c2cc(Nc3ccc(C(=O)NCCN4CCCCC4)cc3)ncn2)cc1 ZINC000033261245 558928391 /nfs/dbraw/zinc/92/83/91/558928391.db2.gz ARYXLOBNFVQDBG-UHFFFAOYSA-N 0 3 415.541 4.411 50 0 HIAAHN Cc1ccc(-c2nc(CS(=O)(=O)C(C)C(=O)N[C@@H]3CCCC[C@@H]3C)cs2)cc1 ZINC000058935257 558930816 /nfs/dbraw/zinc/93/08/16/558930816.db2.gz ATLXIDZNSBJQFW-FRQCXROJSA-N 0 3 420.600 4.117 50 0 HIAAHN Cn1c(-c2c(-c3ccccc3)ncn2CCN2CCC[C@H](O)C2)cc2ccccc21 ZINC000065435679 558977585 /nfs/dbraw/zinc/97/75/85/558977585.db2.gz STAHSHDVPQIMSY-NRFANRHFSA-N 0 3 400.526 4.166 50 0 HIAAHN CN1CCCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000072429334 558979084 /nfs/dbraw/zinc/97/90/84/558979084.db2.gz OXBVMEWAHYXXPO-UHFFFAOYSA-N 0 3 400.526 4.482 50 0 HIAAHN O=C1CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)CCN1 ZINC000072469074 558983293 /nfs/dbraw/zinc/98/32/93/558983293.db2.gz WWQNFWRFCXPNDX-UHFFFAOYSA-N 0 3 405.929 4.366 50 0 HIAAHN Cc1ccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccc(F)cc4)CC3)n2)cc1 ZINC000067613040 558989089 /nfs/dbraw/zinc/98/90/89/558989089.db2.gz OULPYHXCUHTWAJ-UHFFFAOYSA-N 0 3 422.504 4.055 50 0 HIAAHN Cc1cc(C)n(-c2cccc(CN3CCC[C@H](CNC(=O)c4ccc(F)cc4)C3)c2)n1 ZINC000076915969 558998070 /nfs/dbraw/zinc/99/80/70/558998070.db2.gz SSJIGCIYPKPPOK-OAQYLSRUSA-N 0 3 420.532 4.270 50 0 HIAAHN CN1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2cnoc2-c2ccccc2)C1 ZINC000095502271 559082604 /nfs/dbraw/zinc/08/26/04/559082604.db2.gz MPDCGAGCPVFPCS-OAQYLSRUSA-N 0 3 403.526 4.368 50 0 HIAAHN CN1CCC[C@H](CN(CCc2ccccc2)C(=O)c2cnoc2-c2ccccc2)C1 ZINC000095502270 559082642 /nfs/dbraw/zinc/08/26/42/559082642.db2.gz MPDCGAGCPVFPCS-NRFANRHFSA-N 0 3 403.526 4.368 50 0 HIAAHN CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Br)s3)=NN12 ZINC000004863079 559193309 /nfs/dbraw/zinc/19/33/09/559193309.db2.gz OBUYOBUCXVACGO-HNNXBMFYSA-N 0 3 418.360 4.476 50 0 HIAAHN CCCC(=O)OC[C@@H](O)CN(Cc1cccn1Cc1ccccc1C)CC(C)C ZINC000004918835 559204624 /nfs/dbraw/zinc/20/46/24/559204624.db2.gz NFPXKEWYGWHNLX-QHCPKHFHSA-N 0 3 400.563 4.007 50 0 HIAAHN CCCC(=O)OC[C@H](O)CN(Cc1cccn1Cc1ccccc1C)CC(C)C ZINC000004918826 559204665 /nfs/dbraw/zinc/20/46/65/559204665.db2.gz NFPXKEWYGWHNLX-HSZRJFAPSA-N 0 3 400.563 4.007 50 0 HIAAHN CCN(CC)CCN(C(=O)c1ccc(OC)cc1)c1nc2c(cccc2OC)s1 ZINC000005121961 559248580 /nfs/dbraw/zinc/24/85/80/559248580.db2.gz OELUJWHVUZSVIP-UHFFFAOYSA-N 0 3 413.543 4.302 50 0 HIAAHN CCN(CC)CCN(C(=O)c1cccs1)c1nc2cc3c(cc2s1)OCCO3 ZINC000005122071 559248614 /nfs/dbraw/zinc/24/86/14/559248614.db2.gz QWPJXXVXFQOBBR-UHFFFAOYSA-N 0 3 417.556 4.118 50 0 HIAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000135681101 559276307 /nfs/dbraw/zinc/27/63/07/559276307.db2.gz YIUVGXMAJGCVAH-RJGXRXQPSA-N 0 3 414.461 4.055 50 0 HIAAHN CC(=O)c1cn(CCC(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc12 ZINC000061722011 560538011 /nfs/dbraw/zinc/53/80/11/560538011.db2.gz NUDLLZLXBQEXFG-UHFFFAOYSA-N 0 3 403.526 4.015 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1C ZINC000102707107 560820627 /nfs/dbraw/zinc/82/06/27/560820627.db2.gz QVIBHYIQLLOPTC-RJGXRXQPSA-N 0 3 414.461 4.060 50 0 HIAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](CC(C)C)[C@@H]3C2=O)cc1 ZINC000102728252 560821984 /nfs/dbraw/zinc/82/19/84/560821984.db2.gz PVHNACHDIDKRKZ-FDFHNCONSA-N 0 3 408.498 4.200 50 0 HIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@H]3C2=O)c1 ZINC000102765573 560825142 /nfs/dbraw/zinc/82/51/42/560825142.db2.gz RDNUDPXUHZXUGP-XPWALMASSA-N 0 3 414.461 4.055 50 0 HIAAHN O[C@@H](Cc1ccccc1)CN(Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104984405 560859180 /nfs/dbraw/zinc/85/91/80/560859180.db2.gz HJZYRRJFNFLEPM-XZOQPEGZSA-N 0 3 418.512 4.425 50 0 HIAAHN CCOc1cc(CNCCOCCO)ccc1OCc1ccc(Cl)cc1Cl ZINC000010435672 568416305 /nfs/dbraw/zinc/41/63/05/568416305.db2.gz UQCKKQWJXAFZCT-UHFFFAOYSA-N 0 3 414.329 4.070 50 0 HIAAHN OCCN1CCN(CC/C=C2/c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000022588286 568487192 /nfs/dbraw/zinc/48/71/92/568487192.db2.gz JLEXAIZTZXJDTI-MPUCSWFWSA-N 0 3 415.002 4.377 50 0 HIAAHN CCc1ccc(NC(=S)N(CCCN2CCN(CC)CC2)Cc2ccco2)cc1 ZINC000020107736 568588126 /nfs/dbraw/zinc/58/81/26/568588126.db2.gz ZYCQCRJXEGOMLV-UHFFFAOYSA-N 0 3 414.619 4.069 50 0 HIAAHN CN1CCC(NC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)CC1 ZINC000095365126 568602113 /nfs/dbraw/zinc/60/21/13/568602113.db2.gz UOSYTTUNZRQZDV-IBGZPJMESA-N 0 3 420.326 4.071 50 0 HIAAHN CCN1CCC[C@@H]1CN(Cc1nnc(Cc2ccccc2C)o1)Cc1ccc(O)cc1 ZINC000095459852 568620073 /nfs/dbraw/zinc/62/00/73/568620073.db2.gz YHMVWKHKFFSNCZ-JOCHJYFZSA-N 0 3 420.557 4.161 50 0 HIAAHN CC(C)N(Cc1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)cc1)C[C@@H]1CCCCO1 ZINC000095461570 568620891 /nfs/dbraw/zinc/62/08/91/568620891.db2.gz JTRPZPKVTGCZQP-APWZRJJASA-N 0 3 416.484 4.372 50 0 HIAAHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000095467070 568624670 /nfs/dbraw/zinc/62/46/70/568624670.db2.gz BIDAMNRREQSATP-CQSZACIVSA-N 0 3 418.925 4.379 50 0 HIAAHN O=C(Cc1cnc(-c2ccccc2F)s1)NC1CCN(Cc2ccccc2)CC1 ZINC000012407129 568711315 /nfs/dbraw/zinc/71/13/15/568711315.db2.gz GKWYOZQHCXSRED-UHFFFAOYSA-N 0 3 409.530 4.273 50 0 HIAAHN COCCCNCc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000247898199 568746189 /nfs/dbraw/zinc/74/61/89/568746189.db2.gz VMBZZFPWUZMLOP-UHFFFAOYSA-N 0 3 405.329 4.426 50 0 HIAAHN CCOCCCNCc1nn(Cc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000248289708 568748252 /nfs/dbraw/zinc/74/82/52/568748252.db2.gz KBJXTONOFTZYCF-UHFFFAOYSA-N 0 3 402.901 4.302 50 0 HIAAHN CC1=C(C(=O)Nc2ccc(Cl)cc2)C2(CCN(Cc3ccccc3)CC2)OC1=O ZINC000021868297 568755833 /nfs/dbraw/zinc/75/58/33/568755833.db2.gz XESAMUUCNFPQEO-UHFFFAOYSA-N 0 3 410.901 4.187 50 0 HIAAHN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000055757504 568783135 /nfs/dbraw/zinc/78/31/35/568783135.db2.gz CFBVYNNDKVJNOH-ZNMIVQPWSA-N 0 3 406.933 4.069 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(F)c4)[C@@H]3C2=O)cc1 ZINC000230032267 568803211 /nfs/dbraw/zinc/80/32/11/568803211.db2.gz IDJCVRPNKSOUSB-BHDDXSALSA-N 0 3 402.425 4.185 50 0 HIAAHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@@H]3C2=O)c(C)c1 ZINC000230047098 568804374 /nfs/dbraw/zinc/80/43/74/568804374.db2.gz JCBOXEYMRLXMJU-MDNUFGMLSA-N 0 3 413.477 4.058 50 0 HIAAHN CCN1CCC[C@@H]1CNCc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000261491655 568820227 /nfs/dbraw/zinc/82/02/27/568820227.db2.gz BIESIXOYFYFWOF-OAQYLSRUSA-N 0 3 409.965 4.221 50 0 HIAAHN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@@H](C)c1cccc2ccccc21 ZINC000057380646 568830473 /nfs/dbraw/zinc/83/04/73/568830473.db2.gz RBLGVXLVTTYAOD-RBUKOAKNSA-N 0 3 403.526 4.251 50 0 HIAAHN CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000003336504 568882837 /nfs/dbraw/zinc/88/28/37/568882837.db2.gz PSNJGFLDOSHKPU-PKTZIBPZSA-N 0 3 423.601 4.158 50 0 HIAAHN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CNC(C)(C)CC ZINC000012745135 568931026 /nfs/dbraw/zinc/93/10/26/568931026.db2.gz OIHKXQYBXPWYQR-UHFFFAOYSA-N 0 3 404.532 4.317 50 0 HIAAHN CCOC(=O)c1c(C)oc2nc(C)nc(NCCN(Cc3ccco3)[C@@H](C)CC)c21 ZINC000015727454 568978389 /nfs/dbraw/zinc/97/83/89/568978389.db2.gz YVXTYUNEAPOEEK-AWEZNQCLSA-N 0 3 414.506 4.322 50 0 HIAAHN CCc1cccc(-n2nc(C)c3c2NC(=O)CC3C(=O)c2c(OC)cccc2OC)c1 ZINC000035170915 569002207 /nfs/dbraw/zinc/00/22/07/569002207.db2.gz NOVQDMNLYLKISC-KRWDZBQOSA-N 0 3 419.481 4.069 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(F)c4)[C@H]3C2=O)cc1 ZINC000245310314 569055690 /nfs/dbraw/zinc/05/56/90/569055690.db2.gz IDJCVRPNKSOUSB-YPAWHYETSA-N 0 3 402.425 4.185 50 0 HIAAHN COc1ccc(CN(CCC(C)C)C[C@H](O)COc2ccccc2C)cc1OC ZINC000036096140 569089711 /nfs/dbraw/zinc/08/97/11/569089711.db2.gz AJBCWJOBJFYYIJ-NRFANRHFSA-N 0 3 401.547 4.300 50 0 HIAAHN Cc1ccc(-c2noc(CCN(Cc3ccco3)C[C@@H](O)Cc3ccccc3)n2)cc1 ZINC000036147364 569098527 /nfs/dbraw/zinc/09/85/27/569098527.db2.gz DEDDODFMWLIOAP-QFIPXVFZSA-N 0 3 417.509 4.286 50 0 HIAAHN CCN(CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000007263639 569230775 /nfs/dbraw/zinc/23/07/75/569230775.db2.gz KQSWZAPADZILSV-QFIPXVFZSA-N 0 3 422.500 4.436 50 0 HIAAHN O=C(NC1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1)c1ccccc1F ZINC000065552807 569235259 /nfs/dbraw/zinc/23/52/59/569235259.db2.gz BXHZAOCFFKDLCF-UHFFFAOYSA-N 0 3 410.411 4.161 50 0 HIAAHN O=C(Cc1csc(Nc2ccc(F)cc2)n1)NC1CCN(Cc2ccccc2)CC1 ZINC000016850240 569265778 /nfs/dbraw/zinc/26/57/78/569265778.db2.gz UIAARDMPVKYGAR-UHFFFAOYSA-N 0 3 424.545 4.349 50 0 HIAAHN O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1ccccc1CN1CCCCC1 ZINC000007941539 569401805 /nfs/dbraw/zinc/40/18/05/569401805.db2.gz CGFSUFMFQMKODT-UHFFFAOYSA-N 0 3 422.504 4.111 50 0 HIAAHN O=C(C1COc2ccccc2O1)N(Cc1cccnc1)c1nc2c(cccc2F)s1 ZINC000008601563 571090297 /nfs/dbraw/zinc/09/02/97/571090297.db2.gz JYIRNWDZAXOPBE-SFHVURJKSA-N 0 3 421.453 4.204 50 0 HIAAHN Cc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1CN(C)C1CCN(C)CC1 ZINC000008717247 571105415 /nfs/dbraw/zinc/10/54/15/571105415.db2.gz TZSALOZOWPFONE-UHFFFAOYSA-N 0 3 405.542 4.354 50 0 HIAAHN CSc1nc2ccc(NC(=O)N(CCN(C)C)Cc3cccnc3)cc2s1 ZINC000069350754 571221606 /nfs/dbraw/zinc/22/16/06/571221606.db2.gz XNKYNRAUINQDQJ-UHFFFAOYSA-N 0 3 401.561 4.009 50 0 HIAAHN CCN(Cc1ccccc1)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000245276330 571222147 /nfs/dbraw/zinc/22/21/47/571222147.db2.gz SUXNLXCDPSSYAD-NHCUHLMSSA-N 0 3 406.979 4.452 50 0 HIAAHN COc1cccc(OC)c1C(=O)NC[C@H](c1cccc2ccccc21)N1CCCC1 ZINC000010330557 571300553 /nfs/dbraw/zinc/30/05/53/571300553.db2.gz GMEBUEYAHGAWNG-OAQYLSRUSA-N 0 3 404.510 4.424 50 0 HIAAHN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3ccc(CO)o3)C2)cc1Cl ZINC000011661389 845823120 /nfs/dbraw/zinc/82/31/20/845823120.db2.gz CGTIOFLRJCELMF-HNNXBMFYSA-N 0 3 406.910 4.065 50 0 HIAAHN CCCn1cc(CN2CC[C@]3(C2)CCCN(Cc2cccc(F)c2F)C3)c(C)n1 ZINC000011950121 845843127 /nfs/dbraw/zinc/84/31/27/845843127.db2.gz SWIXBWMPWDOCQB-HSZRJFAPSA-N 0 3 402.533 4.368 50 0 HIAAHN COc1ccccc1CCNC(=O)[C@H]1CC12CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC000012210699 845859796 /nfs/dbraw/zinc/85/97/96/845859796.db2.gz JAGOQPOBORLHKX-JOCHJYFZSA-N 0 3 417.553 4.138 50 0 HIAAHN Cn1cc(CN2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000012716203 845885245 /nfs/dbraw/zinc/88/52/45/845885245.db2.gz ACEBDVMGZIEHJD-NRFANRHFSA-N 0 3 413.525 4.419 50 0 HIAAHN CSc1ccc(CN2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCC(C)C)cc1 ZINC000014745939 845976522 /nfs/dbraw/zinc/97/65/22/845976522.db2.gz VETKLZIKPCHORG-UHFFFAOYSA-N 0 3 417.619 4.462 50 0 HIAAHN C[C@@H]1CCCCN1Cc1ccc(C(=O)NC2c3ccccc3-c3ccccc32)c(=O)[nH]1 ZINC000014882627 845989692 /nfs/dbraw/zinc/98/96/92/845989692.db2.gz WMMSTZBOIXIDCH-QGZVFWFLSA-N 0 3 413.521 4.249 50 0 HIAAHN FC(F)(F)c1ccccc1CN1CCC(N2CCN(c3ccccc3)CC2)CC1 ZINC000004109117 132271270 /nfs/dbraw/zinc/27/12/70/132271270.db2.gz LFGXKMLGEYQBOF-UHFFFAOYSA-N 0 3 403.492 4.492 50 0 HIAAHN CC(C)Oc1c(Br)cc(Br)cc1CNC[C@@H]1CCCO1 ZINC000040729970 519777500 /nfs/dbraw/zinc/77/75/00/519777500.db2.gz YCNGDGMBNZKAND-ZDUSSCGKSA-N 0 3 407.146 4.267 50 0 HIAAHN CCOc1cc(CNCCCCO)cc(Br)c1OCc1ccccc1 ZINC000040720967 520711497 /nfs/dbraw/zinc/71/14/97/520711497.db2.gz KMOVHLGRVVSTAG-UHFFFAOYSA-N 0 3 408.336 4.289 50 0 HIAAHN CN(C)Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1 ZINC000032930989 521910137 /nfs/dbraw/zinc/91/01/37/521910137.db2.gz QLFGSALNDCACIV-MRXNPFEDSA-N 0 3 406.452 4.017 50 0 HIAAHN COc1cc(CNC(C)(C)CO)cc(Br)c1OCc1cccc(C)c1 ZINC000040733216 522438918 /nfs/dbraw/zinc/43/89/18/522438918.db2.gz OTLKDXKRVJPMMJ-UHFFFAOYSA-N 0 3 408.336 4.206 50 0 HIAAHN COc1cc(CNCCCN2CCCC2=O)cc(Cl)c1OCc1ccccc1C ZINC000040742485 522446801 /nfs/dbraw/zinc/44/68/01/522446801.db2.gz XWNZUTHRTQXPND-UHFFFAOYSA-N 0 3 416.949 4.338 50 0 HIAAHN COc1cc(CNCCCCO)cc(Br)c1OCc1ccc(F)cc1 ZINC000040720992 522448196 /nfs/dbraw/zinc/44/81/96/522448196.db2.gz UJHICBRXNCLWKQ-UHFFFAOYSA-N 0 3 412.299 4.038 50 0 HIAAHN COCCNCc1cc(Br)c(OCc2cccc(Cl)c2)c(OC)c1 ZINC000040734266 523948305 /nfs/dbraw/zinc/94/83/05/523948305.db2.gz KASYQKMILGQCHX-UHFFFAOYSA-N 0 3 414.727 4.426 50 0 HIAAHN CCc1ccc([C@H](CNC(=O)c2cc(-c3ccc(OC)cc3)on2)N2CCCC2)cc1 ZINC000032623078 524048862 /nfs/dbraw/zinc/04/88/62/524048862.db2.gz FRUBQIJOZHANBL-QHCPKHFHSA-N 0 3 419.525 4.480 50 0 HIAAHN COc1ccccc1CCN1CCC[C@H](CN(C)Cc2csc(C(C)=O)c2)C1 ZINC000020543127 524408867 /nfs/dbraw/zinc/40/88/67/524408867.db2.gz FXXKJGNKAPFMBU-LJQANCHMSA-N 0 3 400.588 4.346 50 0 HIAAHN Cc1ccccc1CN1CCC(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC000045756534 525137597 /nfs/dbraw/zinc/13/75/97/525137597.db2.gz CKXRTKACHUDUOI-UHFFFAOYSA-N 0 3 419.569 4.264 50 0 HIAAHN CSc1ccccc1CN1CCC(CNC(=O)c2ccc3nsnc3c2)CC1 ZINC000043991311 526157371 /nfs/dbraw/zinc/15/73/71/526157371.db2.gz XETKQVRXCVHKNT-UHFFFAOYSA-N 0 3 412.584 4.055 50 0 HIAAHN CCN(CC)CCn1c2ccccc2n(CC(=O)c2ccc(Cl)c(Cl)c2)c1=N ZINC000004811961 557600750 /nfs/dbraw/zinc/60/07/50/557600750.db2.gz YIAPSGUJWRWQJF-UHFFFAOYSA-N 0 3 419.356 4.454 50 0 HIAAHN Cc1cc(C(=O)NC[C@H]2CCCN(Cc3ccc4c(c3)Cc3ccccc3-4)C2)no1 ZINC000011662754 558266490 /nfs/dbraw/zinc/26/64/90/558266490.db2.gz MWNIOYOIDADZJL-LJQANCHMSA-N 0 3 401.510 4.196 50 0 HIAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC(CO)CC2)cc1F ZINC000011772027 558274592 /nfs/dbraw/zinc/27/45/92/558274592.db2.gz COUWGGOXSRZMIL-UHFFFAOYSA-N 0 3 409.505 4.200 50 0 HIAAHN CCOC(=O)N1CCC(N2CCC[C@@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)CC1 ZINC000011813175 558278052 /nfs/dbraw/zinc/27/80/52/558278052.db2.gz OPGNGCLNQNMVIO-OAQYLSRUSA-N 0 3 424.541 4.364 50 0 HIAAHN Cc1c([C@@H](C)NC2CCN(Cc3cccnc3)CC2)cnn1-c1ccc(F)cc1F ZINC000011821380 558284490 /nfs/dbraw/zinc/28/44/90/558284490.db2.gz WBSNAPFTWCMSEO-MRXNPFEDSA-N 0 3 411.500 4.169 50 0 HIAAHN COc1ccc(CNC(=O)CC[C@H]2CCCN(CCCC(F)(F)F)C2)c(OC)c1 ZINC000011841586 558287132 /nfs/dbraw/zinc/28/71/32/558287132.db2.gz PQSILZUCPRVMEF-MRXNPFEDSA-N 0 3 416.484 4.155 50 0 HIAAHN COc1cc(OC)cc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2cccc(C)c2)C3)c1 ZINC000011874369 558291922 /nfs/dbraw/zinc/29/19/22/558291922.db2.gz KVWBQTLNUIUYOL-VWLOTQADSA-N 0 3 408.542 4.141 50 0 HIAAHN CCCCc1nc(CN(CCOC)CC2CCN(Cc3ccccc3F)CC2)c[nH]1 ZINC000011935745 558299732 /nfs/dbraw/zinc/29/97/32/558299732.db2.gz RAAKCQMZQHMIID-UHFFFAOYSA-N 0 3 416.585 4.252 50 0 HIAAHN O=C(NCCc1ccccc1)c1cccc(OC2CCN([C@@H]3CCSC3)CC2)c1 ZINC000011945776 558302175 /nfs/dbraw/zinc/30/21/75/558302175.db2.gz ZSKCFYXKWINUOR-OAQYLSRUSA-N 0 3 410.583 4.008 50 0 HIAAHN Cc1[nH]c2ccccc2c1[C@@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000019940117 558314108 /nfs/dbraw/zinc/31/41/08/558314108.db2.gz RWRFCOMBTMHJRV-FQEVSTJZSA-N 0 3 403.448 4.351 50 0 HIAAHN CCN(CC)CCn1c2ccccc2n(CCCOc2ccccc2Cl)c1=N ZINC000020069493 558330594 /nfs/dbraw/zinc/33/05/94/558330594.db2.gz HKERHAHBEQVXQL-UHFFFAOYSA-N 0 3 400.954 4.387 50 0 HIAAHN Cc1ccc(CN2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)cc1 ZINC000020102899 558332376 /nfs/dbraw/zinc/33/23/76/558332376.db2.gz KFOBZCBWHGWUGA-UHFFFAOYSA-N 0 3 405.586 4.173 50 0 HIAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000012301335 558370876 /nfs/dbraw/zinc/37/08/76/558370876.db2.gz GPTXZNINWQPNDH-LOSJGSFVSA-N 0 3 406.570 4.212 50 0 HIAAHN CN1CCC[C@H](CN(CCc2ccccc2)C(=O)c2cc(-c3ccccc3)no2)C1 ZINC000012303757 558372997 /nfs/dbraw/zinc/37/29/97/558372997.db2.gz RNWXKQJMVLUZJO-NRFANRHFSA-N 0 3 403.526 4.368 50 0 HIAAHN Cc1ccc(-n2cc(CNCc3n[nH]c4c3CCC4)c(-c3ccc(F)cc3)n2)cc1 ZINC000012306442 558375282 /nfs/dbraw/zinc/37/52/82/558375282.db2.gz PGSJNYCMOOIDQY-UHFFFAOYSA-N 0 3 401.489 4.488 50 0 HIAAHN CC(=O)Nc1ccc(CN2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000012316084 558379293 /nfs/dbraw/zinc/37/92/93/558379293.db2.gz JPOFMAPEOQXQBZ-UHFFFAOYSA-N 0 3 420.475 4.481 50 0 HIAAHN O=C(c1nc2sccn2c1CNCC[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCCCCCC1 ZINC000012431658 558406166 /nfs/dbraw/zinc/40/61/66/558406166.db2.gz PPRUUKUQYTWGKA-CEXWTWQISA-N 0 3 412.603 4.494 50 0 HIAAHN Cc1nn(C)cc1CN1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012441829 558412309 /nfs/dbraw/zinc/41/23/09/558412309.db2.gz AIUFAJBJLXMSFE-FQEVSTJZSA-N 0 3 402.542 4.038 50 0 HIAAHN CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)Cc1cccnc1 ZINC000012447909 558415257 /nfs/dbraw/zinc/41/52/57/558415257.db2.gz FPYQRBFFOJFDFR-UHFFFAOYSA-N 0 3 419.491 4.056 50 0 HIAAHN Cc1ccc(COc2ccc(Cl)cc2CNCCCSc2nnnn2C)cc1 ZINC000020875209 558418849 /nfs/dbraw/zinc/41/88/49/558418849.db2.gz PNNDVOQQJWAXSB-UHFFFAOYSA-N 0 3 417.966 4.023 50 0 HIAAHN CN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1cccc(Cl)c1 ZINC000004337844 558423457 /nfs/dbraw/zinc/42/34/57/558423457.db2.gz YBEOMFXSUFUEJZ-LJQANCHMSA-N 0 3 414.864 4.082 50 0 HIAAHN Cc1cccc(-n2cc(CN(C)CCc3cnn(C)c3)c(-c3cccc(F)c3)n2)c1 ZINC000020993724 558426486 /nfs/dbraw/zinc/42/64/86/558426486.db2.gz RPTOQGNPVSJRDC-UHFFFAOYSA-N 0 3 403.505 4.395 50 0 HIAAHN O=S(=O)(Cc1ccccc1)NC[C@@H]1CCCN(Cc2cc3ccccc3s2)C1 ZINC000012580892 558432332 /nfs/dbraw/zinc/43/23/32/558432332.db2.gz LYIOHHDANUQNQT-IBGZPJMESA-N 0 3 414.596 4.233 50 0 HIAAHN COCc1ccc(CN2CCC[C@H](CCC(=O)Nc3ccc(OC)cc3C)C2)o1 ZINC000012593995 558436836 /nfs/dbraw/zinc/43/68/36/558436836.db2.gz QXMKKUHRBBNMOG-GOSISDBHSA-N 0 3 400.519 4.374 50 0 HIAAHN CCOC(=O)c1ccc(NC(=O)c2ccc(SCCN3CCCCC3)nc2)cc1 ZINC000021663462 558445230 /nfs/dbraw/zinc/44/52/30/558445230.db2.gz JPUFXGJUUWNSTK-UHFFFAOYSA-N 0 3 413.543 4.089 50 0 HIAAHN CCc1onc(C)c1[C@H]1CCCN1Cc1cn(CC(=O)OC)c2ccc(OC)cc12 ZINC000021720725 558446634 /nfs/dbraw/zinc/44/66/34/558446634.db2.gz RIMAKPFPAYULGB-HXUWFJFHSA-N 0 3 411.502 4.019 50 0 HIAAHN CCN(CC)CCN(C(=O)c1cc2ccccc2oc1=O)c1nc2ccccc2s1 ZINC000005239786 558453206 /nfs/dbraw/zinc/45/32/06/558453206.db2.gz OIKSVAUORGRHPN-UHFFFAOYSA-N 0 3 421.522 4.391 50 0 HIAAHN COc1c(Cl)cc(Cl)cc1CNCCCSc1nnnn1-c1ccccc1 ZINC000022109110 558463788 /nfs/dbraw/zinc/46/37/88/558463788.db2.gz LFWJRSXFOXGDCG-UHFFFAOYSA-N 0 3 424.357 4.250 50 0 HIAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)c2ccc(C)c(OC)c2)cc1 ZINC000012835191 558477790 /nfs/dbraw/zinc/47/77/90/558477790.db2.gz VAQPHFOFBDWURO-UHFFFAOYSA-N 0 3 410.558 4.039 50 0 HIAAHN CCN1CCC(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)CC1 ZINC000012973615 558490248 /nfs/dbraw/zinc/49/02/48/558490248.db2.gz YEDUSVSTYLRJCM-UHFFFAOYSA-N 0 3 416.978 4.322 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccccc1 ZINC000013511606 558535637 /nfs/dbraw/zinc/53/56/37/558535637.db2.gz UZEJVECWEUQYJT-NJDAHSKKSA-N 0 3 404.853 4.391 50 0 HIAAHN CN(C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000024445257 558597811 /nfs/dbraw/zinc/59/78/11/558597811.db2.gz OMFUDWZZGKQESF-UHFFFAOYSA-N 0 3 416.493 4.172 50 0 HIAAHN CCN(CC)C(=O)c1cccc(NC(=O)CN(Cc2ccccc2)[C@@H](C)C2CC2)c1 ZINC000024674701 558607205 /nfs/dbraw/zinc/60/72/05/558607205.db2.gz ZBWFCFLHTKHUKH-IBGZPJMESA-N 0 3 407.558 4.408 50 0 HIAAHN Cc1cc(C)c2c(n1)sc(C(=O)N1CCN(c3ccncc3)CC1)c2-n1cccc1 ZINC000024762905 558611077 /nfs/dbraw/zinc/61/10/77/558611077.db2.gz SQEYGNXUGOVHCF-UHFFFAOYSA-N 0 3 417.538 4.061 50 0 HIAAHN COc1cc(C(=O)NC2CCN(C3CC3)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000014528287 558655627 /nfs/dbraw/zinc/65/56/27/558655627.db2.gz HOEINLFUMHMZNI-UHFFFAOYSA-N 0 3 414.933 4.284 50 0 HIAAHN CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCc1ccc(Cl)s1)C2 ZINC000014537543 558658734 /nfs/dbraw/zinc/65/87/34/558658734.db2.gz HSLCPRAAJUIJPL-HNNXBMFYSA-N 0 3 421.010 4.281 50 0 HIAAHN COc1cc(CN2CCC[C@@H](C)C2)ccc1OCCCNC(=O)c1cccc(F)c1 ZINC000014880573 558675893 /nfs/dbraw/zinc/67/58/93/558675893.db2.gz MSOWIBRZDWEQLQ-GOSISDBHSA-N 0 3 414.521 4.265 50 0 HIAAHN COc1ccccc1CCNC(=O)[C@@H]1CC12CCN(Cc1cc3ccccc3o1)CC2 ZINC000014889099 558677977 /nfs/dbraw/zinc/67/79/77/558677977.db2.gz OTIGQFVRELXAFA-QFIPXVFZSA-N 0 3 418.537 4.402 50 0 HIAAHN CCN(CC)CC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000014948703 558680416 /nfs/dbraw/zinc/68/04/16/558680416.db2.gz DUIKBAUYYJMXMF-FQEVSTJZSA-N 0 3 411.521 4.012 50 0 HIAAHN COc1ccccc1OCC(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCCC1 ZINC000028288717 558695567 /nfs/dbraw/zinc/69/55/67/558695567.db2.gz OVCZRMBIIQYWTC-OAQYLSRUSA-N 0 3 410.558 4.325 50 0 HIAAHN CCN1CCN(C2(CNC(=O)C(c3ccccc3)c3ccccc3)CCCCC2)CC1 ZINC000028293544 558698490 /nfs/dbraw/zinc/69/84/90/558698490.db2.gz HFBLFFRCIZERBV-UHFFFAOYSA-N 0 3 419.613 4.275 50 0 HIAAHN CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(Cc2ccc(OC)c(O)c2)C1 ZINC000015065905 558708891 /nfs/dbraw/zinc/70/88/91/558708891.db2.gz URMIJFLANRKXHR-DEOSSOPVSA-N 0 3 413.514 4.015 50 0 HIAAHN O=C1CCN(Cc2ccc3ccccc3c2)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000015067798 558710737 /nfs/dbraw/zinc/71/07/37/558710737.db2.gz LAKWDKFFSUDTFO-UHFFFAOYSA-N 0 3 422.912 4.456 50 0 HIAAHN CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000015068516 558710916 /nfs/dbraw/zinc/71/09/16/558710916.db2.gz YBBSGYAHDKRDAX-UHFFFAOYSA-N 0 3 424.541 4.042 50 0 HIAAHN COc1ccc(C(=O)Nc2ccnn2C2CCN(Cc3ccc(C)s3)CC2)cc1 ZINC000015069122 558711755 /nfs/dbraw/zinc/71/17/55/558711755.db2.gz FXSNYZUZFRCDDS-UHFFFAOYSA-N 0 3 410.543 4.351 50 0 HIAAHN CCOc1ccccc1CN1CCC[C@@H](CCC(=O)NCc2cccc(OC)c2)C1 ZINC000015079954 558718459 /nfs/dbraw/zinc/71/84/59/558718459.db2.gz DXQVHKXSVBDLDS-FQEVSTJZSA-N 0 3 410.558 4.403 50 0 HIAAHN CCSc1ccc(-c2nn(-c3ccccc3)cc2CNCCc2nncn2C)cc1 ZINC000072294578 558742928 /nfs/dbraw/zinc/74/29/28/558742928.db2.gz NXFWGENXFRGQRL-UHFFFAOYSA-N 0 3 418.570 4.112 50 0 HIAAHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C1CC(=O)Nc1ccc(C)cc1C ZINC000100886858 558782143 /nfs/dbraw/zinc/78/21/43/558782143.db2.gz HHINIYFGRMYLSL-LJQANCHMSA-N 0 3 406.482 4.132 50 0 HIAAHN C[C@](O)(CN1CCC(NC(=O)Nc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000058297882 558917570 /nfs/dbraw/zinc/91/75/70/558917570.db2.gz ITMCSRBCSUKRDP-NRFANRHFSA-N 0 3 421.463 4.199 50 0 HIAAHN O=C(NCCCN1CCc2ccccc2C1)c1sc2ncccc2c1-n1cccc1 ZINC000033059861 558954034 /nfs/dbraw/zinc/95/40/34/558954034.db2.gz QHRPNVBASOHMGM-UHFFFAOYSA-N 0 3 416.550 4.265 50 0 HIAAHN CCN1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000072474571 558983673 /nfs/dbraw/zinc/98/36/73/558983673.db2.gz AKBZTVDYZBMISL-UHFFFAOYSA-N 0 3 400.526 4.482 50 0 HIAAHN CCN(Cc1nc(-c2cccs2)no1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000067612733 558988956 /nfs/dbraw/zinc/98/89/56/558988956.db2.gz UVOYMYZCDXAYLL-UHFFFAOYSA-N 0 3 410.543 4.059 50 0 HIAAHN Cc1cc(C)n(-c2cccc(CN3CCC[C@@H](CNC(=O)c4ccc(F)cc4)C3)c2)n1 ZINC000076915971 558997982 /nfs/dbraw/zinc/99/79/82/558997982.db2.gz SSJIGCIYPKPPOK-NRFANRHFSA-N 0 3 420.532 4.270 50 0 HIAAHN COc1ccc(C[C@@](O)(c2ccc(OC)cc2)c2ccc(OCCN(C)C)cc2)cc1 ZINC000095918112 559089018 /nfs/dbraw/zinc/08/90/18/559089018.db2.gz XTXLAJQCOUOATO-AREMUKBSSA-N 0 3 421.537 4.123 50 0 HIAAHN CN(CCCNC(=O)c1cc2c(s1)c1ccccc1n(C)c2=O)Cc1ccccc1 ZINC000005022396 559229570 /nfs/dbraw/zinc/22/95/70/559229570.db2.gz ZCNIHAAXEJQLPY-UHFFFAOYSA-N 0 3 419.550 4.005 50 0 HIAAHN COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCN(C(C)C)CC2)c1 ZINC000005092068 559243905 /nfs/dbraw/zinc/24/39/05/559243905.db2.gz MYQZDOWJGANELZ-JOCHJYFZSA-N 0 3 421.541 4.448 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)c(C)c1 ZINC000102663077 560819262 /nfs/dbraw/zinc/81/92/62/560819262.db2.gz KQLJQEYSXFFULJ-YTFSRNRJSA-N 0 3 416.452 4.494 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)c(C)c1 ZINC000102663073 560819341 /nfs/dbraw/zinc/81/93/41/560819341.db2.gz KQLJQEYSXFFULJ-DNVJHFABSA-N 0 3 416.452 4.494 50 0 HIAAHN CCn1c(C)cc(O)c([C@H](c2ccncc2)N2CCC(Cc3ccccc3)CC2)c1=O ZINC000022697491 568415519 /nfs/dbraw/zinc/41/55/19/568415519.db2.gz XADVNVSMIIGJQM-VWLOTQADSA-N 0 3 417.553 4.321 50 0 HIAAHN Cc1nn(-c2ccc(F)cc2F)c2c1C(C(=O)c1ccc(Cl)cc1)CC(=O)N2 ZINC000046057137 568426109 /nfs/dbraw/zinc/42/61/09/568426109.db2.gz PJSFZDGGKLCVKC-CQSZACIVSA-N 0 3 401.800 4.421 50 0 HIAAHN COc1ccc(CNC[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)cc1OC ZINC000005936014 568454310 /nfs/dbraw/zinc/45/43/10/568454310.db2.gz PNUUMSFMETUGDF-NVQXNPDNSA-N 0 3 421.537 4.269 50 0 HIAAHN Cc1cc(Cl)ccc1OC[C@@H](O)CN1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000000626975 568456117 /nfs/dbraw/zinc/45/61/17/568456117.db2.gz BEFRDBPWQPNWGZ-IBGZPJMESA-N 0 3 410.341 4.025 50 0 HIAAHN CCc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCN(CC)CC2)cc1 ZINC000006877624 568462967 /nfs/dbraw/zinc/46/29/67/568462967.db2.gz KVQWYPCGLFXJFD-UHFFFAOYSA-N 0 3 409.530 4.496 50 0 HIAAHN c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1CN1CCC(N2CCOCC2)CC1 ZINC000012301499 568464122 /nfs/dbraw/zinc/46/41/22/568464122.db2.gz AESCVERGFSTHKI-UHFFFAOYSA-N 0 3 402.542 4.040 50 0 HIAAHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CC4=CCCCC4)C3)C2)c1OC ZINC000014980957 568581549 /nfs/dbraw/zinc/58/15/49/568581549.db2.gz KSHGIPCEWZZJPB-RUZDIDTESA-N 0 3 412.574 4.409 50 0 HIAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)Nc1ccccc1C(F)(F)F ZINC000020154010 568590880 /nfs/dbraw/zinc/59/08/80/568590880.db2.gz MHYGPMUVAJEIKS-UHFFFAOYSA-N 0 3 420.479 4.035 50 0 HIAAHN O=S(=O)(CCCNCc1cc2ccccc2nc1N1CCCCC1)c1ccccc1 ZINC000095347335 568599881 /nfs/dbraw/zinc/59/98/81/568599881.db2.gz SKUXVYIFNLMWGE-UHFFFAOYSA-N 0 3 423.582 4.179 50 0 HIAAHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000095467038 568624522 /nfs/dbraw/zinc/62/45/22/568624522.db2.gz ZSCQSRHFJMMKOX-AWEZNQCLSA-N 0 3 409.456 4.085 50 0 HIAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)Nc3ccc(Br)cc3)C2)cc1 ZINC000021175426 568676930 /nfs/dbraw/zinc/67/69/30/568676930.db2.gz NXXXZUNAABPZSL-KRWDZBQOSA-N 0 3 402.336 4.401 50 0 HIAAHN COCCNCc1cnc(C)c2oc(-c3cc(=O)oc4cc5c(cc43)CCC5)cc21 ZINC000096116509 568696021 /nfs/dbraw/zinc/69/60/21/568696021.db2.gz GGTROHSQCSTNLQ-UHFFFAOYSA-N 0 3 404.466 4.134 50 0 HIAAHN CC(C)N(C)CC(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 ZINC000239722552 568729764 /nfs/dbraw/zinc/72/97/64/568729764.db2.gz CDIIEGNIWFSKFO-KRWDZBQOSA-N 0 3 405.539 4.092 50 0 HIAAHN CCCn1cc(-c2ccncc2)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000096386204 568742631 /nfs/dbraw/zinc/74/26/31/568742631.db2.gz LSNBNVUJBQBMNK-UHFFFAOYSA-N 0 3 402.542 4.355 50 0 HIAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccnc(Cl)c1 ZINC000025385589 568766269 /nfs/dbraw/zinc/76/62/69/568766269.db2.gz DCUWTTMYQWNHST-UHFFFAOYSA-N 0 3 406.917 4.310 50 0 HIAAHN O=C1c2cccc3cccc(c32)C(=O)N1CCCCN1CCN(c2ccccc2)CC1 ZINC000028048449 568778571 /nfs/dbraw/zinc/77/85/71/568778571.db2.gz BPJOHFBKDQPLFK-UHFFFAOYSA-N 0 3 413.521 4.038 50 0 HIAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(OCc2ccncc2)cc1 ZINC000029754999 568828869 /nfs/dbraw/zinc/82/88/69/568828869.db2.gz IHJRUDHZHCWJSL-NRFANRHFSA-N 0 3 407.539 4.289 50 0 HIAAHN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N[C@@H](C)c1cccc2ccccc21 ZINC000057380647 568830407 /nfs/dbraw/zinc/83/04/07/568830407.db2.gz RBLGVXLVTTYAOD-OALUTQOASA-N 0 3 403.526 4.251 50 0 HIAAHN Cn1ccnc1[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(F)cc1 ZINC000012604477 568870759 /nfs/dbraw/zinc/87/07/59/568870759.db2.gz ZNXIAFPARHKGBB-JOCHJYFZSA-N 0 3 406.505 4.065 50 0 HIAAHN CCOC(=O)c1c2cc(OC[C@@H](O)CN3CCCC3)ccc2oc1-c1ccccc1 ZINC000003293346 568874133 /nfs/dbraw/zinc/87/41/33/568874133.db2.gz HBKLGWGZJNHKCX-SFHVURJKSA-N 0 3 409.482 4.112 50 0 HIAAHN CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000003336503 568882846 /nfs/dbraw/zinc/88/28/46/568882846.db2.gz PSNJGFLDOSHKPU-XZOQPEGZSA-N 0 3 423.601 4.158 50 0 HIAAHN Cc1ccc(-c2cnc(CCC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)o2)cc1C ZINC000012756242 568943155 /nfs/dbraw/zinc/94/31/55/568943155.db2.gz CLVGGEUWQXLGOJ-JOCHJYFZSA-N 0 3 403.526 4.282 50 0 HIAAHN CCCN(CCN(C)C)C(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000084755200 568958258 /nfs/dbraw/zinc/95/82/58/568958258.db2.gz OIKYJAZVRWVTSC-UHFFFAOYSA-N 0 3 409.324 4.035 50 0 HIAAHN CC1=C(C(=O)Nc2ccc(C)c(C)c2)C2(CCN(Cc3ccccc3)CC2)OC1=O ZINC000015679415 568966242 /nfs/dbraw/zinc/96/62/42/568966242.db2.gz IRUICMLJCWSHMI-UHFFFAOYSA-N 0 3 404.510 4.150 50 0 HIAAHN Cc1ccc(C)c(CN(Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccco2)c1 ZINC000036031955 569081155 /nfs/dbraw/zinc/08/11/55/569081155.db2.gz SMJFJQIWZAJRBF-QFIPXVFZSA-N 0 3 423.509 4.205 50 0 HIAAHN COc1ccc(CN(Cc2cccc(C)c2)C[C@H](O)COc2ccc(OC)cc2)cc1 ZINC000036095326 569089935 /nfs/dbraw/zinc/08/99/35/569089935.db2.gz HPAFVNDHUOKFBS-QHCPKHFHSA-N 0 3 421.537 4.454 50 0 HIAAHN Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCN1CCCC[C@H]1C ZINC000064820215 569102507 /nfs/dbraw/zinc/10/25/07/569102507.db2.gz SJVDEBQOOUIFEV-LLVKDONJSA-N 0 3 412.353 4.078 50 0 HIAAHN CCOC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N(CC)CC)CC(C)C ZINC000036208288 569109844 /nfs/dbraw/zinc/10/98/44/569109844.db2.gz LZVMLXRYDDYAAL-HXUWFJFHSA-N 0 3 403.567 4.043 50 0 HIAAHN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)N3CCN(C4CCCCC4)CC3)c12 ZINC000006772756 569118079 /nfs/dbraw/zinc/11/80/79/569118079.db2.gz VHDLKTXVSLGZAX-UHFFFAOYSA-N 0 3 417.557 4.128 50 0 HIAAHN CN(CCNC(=O)c1ccc2nc(CCc3ccccc3)oc2c1)Cc1ccccc1 ZINC000064968142 569137889 /nfs/dbraw/zinc/13/78/89/569137889.db2.gz OMSFCOONZUABRW-UHFFFAOYSA-N 0 3 413.521 4.475 50 0 HIAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000170599317 569242709 /nfs/dbraw/zinc/24/27/09/569242709.db2.gz NBISRCSIMOAJRK-HSZRJFAPSA-N 0 3 420.532 4.269 50 0 HIAAHN CC(C)N(Cc1nc(-c2ccc(Br)s2)no1)[C@@H]1CCCC[C@@H]1O ZINC000089869657 569267581 /nfs/dbraw/zinc/26/75/81/569267581.db2.gz IXSQVEZGBODXMZ-NEPJUHHUSA-N 0 3 400.342 4.075 50 0 HIAAHN CCN(CC)CCN(C(=O)c1ccnn1CC)c1nc2c(ccc(Cl)c2C)s1 ZINC000013698773 569257331 /nfs/dbraw/zinc/25/73/31/569257331.db2.gz LULICPZARAMYIN-UHFFFAOYSA-N 0 3 419.982 4.463 50 0 HIAAHN Cc1cc(O)c([C@@H](c2ccccc2)N2CCC(C)CC2)c(=O)n1Cc1ccccn1 ZINC000016993729 569270896 /nfs/dbraw/zinc/27/08/96/569270896.db2.gz GJQDGZIWGKJUKK-XMMPIXPASA-N 0 3 403.526 4.127 50 0 HIAAHN COc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCC(Cc2ccccc2)CC1)CC3 ZINC000002121607 569285647 /nfs/dbraw/zinc/28/56/47/569285647.db2.gz FEZIEIUVILFKEF-UHFFFAOYSA-N 0 3 417.553 4.016 50 0 biogenic HIAAHN CC(C)[C@H](CNC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F)c1cccnc1 ZINC000252552550 569294336 /nfs/dbraw/zinc/29/43/36/569294336.db2.gz UWGHQFZQZXVTHR-ACRUOGEOSA-N 0 3 419.491 4.248 50 0 HIAAHN COc1ccc(C)cc1NC(=O)CNC(=O)CN([C@H](C)c1ccccc1)C1CCCC1 ZINC000253427365 569368485 /nfs/dbraw/zinc/36/84/85/569368485.db2.gz FJKSQLYGGBXSHJ-LJQANCHMSA-N 0 3 423.557 4.064 50 0 HIAAHN CCN1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(Cl)c2C)C1=O ZINC000019881299 569433000 /nfs/dbraw/zinc/43/30/00/569433000.db2.gz VTZVLLJQXUYARX-AWZALFRUSA-N 0 3 423.944 4.250 50 0 HIAAHN CC(C(=O)N[C@H](C)c1ccccc1)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000040106068 571166729 /nfs/dbraw/zinc/16/67/29/571166729.db2.gz HNFKIUSWTJIMQG-CHWSQXEVSA-N 0 3 400.327 4.174 50 0 HIAAHN COc1ccc(-c2c[nH]nc2-c2ccc(OCC[NH+]3CCCCC3)cc2[O-])cc1OC ZINC000009059719 571217305 /nfs/dbraw/zinc/21/73/05/571217305.db2.gz HJPKZJDMOMZIBB-UHFFFAOYSA-N 0 3 423.513 4.331 50 0 HIAAHN COc1cc(OC)cc(C(=O)NC[C@@H](c2cccc3ccccc32)N2CCCC2)c1 ZINC000010330527 571300494 /nfs/dbraw/zinc/30/04/94/571300494.db2.gz GDYMJTNUQPYGHM-DEOSSOPVSA-N 0 3 404.510 4.424 50 0 HIAAHN Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1cccc2ccccc21)N1CCCC1 ZINC000010334176 571300791 /nfs/dbraw/zinc/30/07/91/571300791.db2.gz KEQBWCPEHHHNDF-HSZRJFAPSA-N 0 3 415.537 4.348 50 0 HIAAHN O=C(Nc1cccc(F)c1)[C@@H]1CC12CCN(Cc1cccn1-c1cccnc1)CC2 ZINC000011973600 845844509 /nfs/dbraw/zinc/84/45/09/845844509.db2.gz MTSNKAAOOALOMV-QFIPXVFZSA-N 0 3 404.489 4.252 50 0 HIAAHN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC12CCN(Cc1ccncc1)CC2 ZINC000012163623 845856971 /nfs/dbraw/zinc/85/69/71/845856971.db2.gz LTDQZFRCAAFXFJ-IBGZPJMESA-N 0 3 403.448 4.019 50 0 HIAAHN COc1ccc(CN2C[C@@H]3C[C@@H](c4[nH]c5ccccc5c4C)N4CCC[C@@]34C2=O)cc1 ZINC000012456900 845872362 /nfs/dbraw/zinc/87/23/62/845872362.db2.gz UZHGRRNLFOZMGU-CZZAQMAHSA-N 0 3 415.537 4.423 50 0 HIAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)CC(F)(F)F)CC1 ZINC000012597260 845878109 /nfs/dbraw/zinc/87/81/09/845878109.db2.gz VSQBIFMBOCFBPY-UHFFFAOYSA-N 0 3 400.485 4.344 50 0 HIAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2csc(C)n2)CC1 ZINC000014956678 845994866 /nfs/dbraw/zinc/99/48/66/845994866.db2.gz HVCXFQZYTKRDQN-UHFFFAOYSA-N 0 3 415.603 4.471 50 0 HIAAHN COC(=O)Cn1cc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)c2ccccc21 ZINC000015074417 846006653 /nfs/dbraw/zinc/00/66/53/846006653.db2.gz YERWZNGDSMWYSZ-KRWDZBQOSA-N 0 3 402.498 4.159 50 0 HIAAHN CCOc1cc(/C=C\C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc(Cl)c1OC ZINC000096585378 852551840 /nfs/dbraw/zinc/55/18/40/852551840.db2.gz RUGOOWPJVXVQAJ-ZBTAVZRMSA-N 0 3 414.933 4.151 50 0 HIAAHN CCN(CC)c1onc(-c2ccccc2)c1CN(C[C@H](O)COC(C)C)CC1CC1 ZINC000036246094 520937819 /nfs/dbraw/zinc/93/78/19/520937819.db2.gz UJCSZMHJGIIRKV-NRFANRHFSA-N 0 3 415.578 4.186 50 0 HIAAHN CCN(Cc1cccc(F)c1)C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000032802482 521346797 /nfs/dbraw/zinc/34/67/97/521346797.db2.gz NVFRJHRAPIOKOF-QFIPXVFZSA-N 0 3 401.526 4.449 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)c3cnn(-c4ccccc4F)c3C)cc2C)CC1 ZINC000032903173 521699204 /nfs/dbraw/zinc/69/92/04/521699204.db2.gz GNSONPZYKYZTDT-UHFFFAOYSA-N 0 3 421.520 4.022 50 0 HIAAHN COc1cc(CNC2CC2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734441 522441362 /nfs/dbraw/zinc/44/13/62/522441362.db2.gz RCVIFRRVFDYFTD-UHFFFAOYSA-N 0 3 419.319 4.036 50 0 HIAAHN CN(C)CCNC(=O)c1csc(-c2cccc(OCc3cccc(Cl)c3)c2)n1 ZINC000034712839 557392404 /nfs/dbraw/zinc/39/24/04/557392404.db2.gz QGKBRLTYCFICQC-UHFFFAOYSA-N 0 3 415.946 4.334 50 0 HIAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000008382777 557784712 /nfs/dbraw/zinc/78/47/12/557784712.db2.gz DOMOMRYASJJXGD-MRXNPFEDSA-N 0 3 418.921 4.245 50 0 HIAAHN Cc1cc(C)n(-c2cccc(CN3CCC[C@@](CO)(Cc4ccccc4F)C3)c2)n1 ZINC000011662314 558266171 /nfs/dbraw/zinc/26/61/71/558266171.db2.gz XLZAPNQYJWIMQQ-RUZDIDTESA-N 0 3 407.533 4.445 50 0 HIAAHN COc1ccc(CNC(=O)CC[C@@H]2CCCN(CCCC(F)(F)F)C2)c(OC)c1 ZINC000011841584 558287246 /nfs/dbraw/zinc/28/72/46/558287246.db2.gz PQSILZUCPRVMEF-INIZCTEOSA-N 0 3 416.484 4.155 50 0 HIAAHN Cc1ccc(CN2C(=O)CC[C@H]2CCNCc2cc3c(cc2Cl)OCO3)cc1 ZINC000011909673 558296339 /nfs/dbraw/zinc/29/63/39/558296339.db2.gz POWVMSOBTGIKIS-SFHVURJKSA-N 0 3 400.906 4.048 50 0 HIAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC[C@H]2CCO)c(F)c1 ZINC000012093384 558324823 /nfs/dbraw/zinc/32/48/23/558324823.db2.gz NHZWHJJWQIXQKW-IBGZPJMESA-N 0 3 409.505 4.424 50 0 HIAAHN O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN(Cc2cc3ccccc3o2)C1 ZINC000012094279 558325097 /nfs/dbraw/zinc/32/50/97/558325097.db2.gz DCVMZPXGAFINKE-LJQANCHMSA-N 0 3 400.482 4.469 50 0 HIAAHN O=C(CC1C(=O)N(C2CCCCC2)c2nc3ccccc3n21)Nc1cccc(F)c1 ZINC000020103507 558332494 /nfs/dbraw/zinc/33/24/94/558332494.db2.gz XDJJKIWOAWKRIO-FQEVSTJZSA-N 0 3 406.461 4.425 50 0 HIAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)CCc2ccccn2)CC1 ZINC000012308692 558376859 /nfs/dbraw/zinc/37/68/59/558376859.db2.gz IVXRHKZARLELRI-UHFFFAOYSA-N 0 3 423.601 4.420 50 0 HIAAHN CC(=O)NC[C@@H]1CCCN(Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000012430973 558405685 /nfs/dbraw/zinc/40/56/85/558405685.db2.gz XVPLWLXRYJDXII-FQEVSTJZSA-N 0 3 420.532 4.335 50 0 HIAAHN Cc1nn(C)cc1CN1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012441831 558412397 /nfs/dbraw/zinc/41/23/97/558412397.db2.gz AIUFAJBJLXMSFE-HXUWFJFHSA-N 0 3 402.542 4.038 50 0 HIAAHN COc1ccccc1N1CCN([C@H]2CCCN(Cc3ccc4ccccc4n3)C2)CC1 ZINC000020780583 558412563 /nfs/dbraw/zinc/41/25/63/558412563.db2.gz HWSRVXMADSQESV-QHCPKHFHSA-N 0 3 416.569 4.030 50 0 HIAAHN COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cc(C)c(C)o2)CC1 ZINC000012458695 558418525 /nfs/dbraw/zinc/41/85/25/558418525.db2.gz WWDSKAIVIGHIGQ-UHFFFAOYSA-N 0 3 408.502 4.191 50 0 HIAAHN O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1 ZINC000012571095 558429060 /nfs/dbraw/zinc/42/90/60/558429060.db2.gz OIYLVXBOQNCOED-JOCHJYFZSA-N 0 3 415.533 4.404 50 0 HIAAHN COc1ccc(CC2(CO)CCN(Cc3cnc(-c4ccccc4C)nc3)CC2)cc1 ZINC000012587909 558434838 /nfs/dbraw/zinc/43/48/38/558434838.db2.gz MZKNEWMEUNFXEE-UHFFFAOYSA-N 0 3 417.553 4.278 50 0 HIAAHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CC3=CCCCC3)C2)cc1OC ZINC000012704973 558449483 /nfs/dbraw/zinc/44/94/83/558449483.db2.gz LLYQJPXQJBVJER-NRFANRHFSA-N 0 3 400.563 4.060 50 0 HIAAHN O=C(CC[C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012712485 558453241 /nfs/dbraw/zinc/45/32/41/558453241.db2.gz MHUJYIJVELJSLS-HSZRJFAPSA-N 0 3 423.576 4.162 50 0 HIAAHN COCc1ccc(CN2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)o1 ZINC000012718391 558456008 /nfs/dbraw/zinc/45/60/08/558456008.db2.gz SZBVGLXUGWQGGD-UHFFFAOYSA-N 0 3 404.938 4.388 50 0 HIAAHN CN(C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000024445481 558597840 /nfs/dbraw/zinc/59/78/40/558597840.db2.gz VDOLGALQSBJFMH-UHFFFAOYSA-N 0 3 416.493 4.172 50 0 HIAAHN O=C(NCc1ccco1)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000013899377 558600957 /nfs/dbraw/zinc/60/09/57/558600957.db2.gz XQXVAKSMTUDYAZ-UHFFFAOYSA-N 0 3 404.510 4.387 50 0 HIAAHN C[C@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc2c(c1)CCCC2 ZINC000014086793 558618890 /nfs/dbraw/zinc/61/88/90/558618890.db2.gz PCVIPCVOOOAEAP-HNNXBMFYSA-N 0 3 409.921 4.089 50 0 HIAAHN CCN(Cc1ccc(C(N)=O)cc1)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000014197931 558634419 /nfs/dbraw/zinc/63/44/19/558634419.db2.gz NDDXKMATVIVFLM-UHFFFAOYSA-N 0 3 410.539 4.457 50 0 HIAAHN COc1ccc([C@@H](CNC[C@H](O)COc2ccc3ccccc3c2)N2CCCC2)cc1 ZINC000025764593 558649247 /nfs/dbraw/zinc/64/92/47/558649247.db2.gz NBIHFXFSUINSAU-JYFHCDHNSA-N 0 3 420.553 4.015 50 0 HIAAHN COc1cccc([C@H](CNC(=O)Cc2ccc(Cl)c(Cl)c2)N2CCCC2)c1 ZINC000014252405 558650627 /nfs/dbraw/zinc/65/06/27/558650627.db2.gz HUCCNFIDGPLDOH-FQEVSTJZSA-N 0 3 407.341 4.498 50 0 HIAAHN CCn1c2ccccc2c2cc(CN3CCC4(CC3)C(=O)N(C)C(=O)N4CC)ccc21 ZINC000014535322 558657979 /nfs/dbraw/zinc/65/79/79/558657979.db2.gz NNAOZSAURMYYSW-UHFFFAOYSA-N 0 3 418.541 4.063 50 0 HIAAHN O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1ccc2n[n-]nc2c1 ZINC000026403534 558660328 /nfs/dbraw/zinc/66/03/28/558660328.db2.gz VRLFLSYVZFKLND-UHFFFAOYSA-N 0 3 411.509 4.151 50 0 HIAAHN COc1cccc(CN2CCN([C@H](C)Cc3cccc(C(F)(F)F)c3)CCC2=O)c1 ZINC000014961787 558684326 /nfs/dbraw/zinc/68/43/26/558684326.db2.gz KFLPMHHUZYJGKF-QGZVFWFLSA-N 0 3 420.475 4.380 50 0 HIAAHN Fc1cccc(F)c1CN1CCC[C@@H](c2ccnc(SCCN3CCCC3)n2)C1 ZINC000014996368 558696349 /nfs/dbraw/zinc/69/63/49/558696349.db2.gz PAMYUFXFTLNVCZ-QGZVFWFLSA-N 0 3 418.557 4.322 50 0 HIAAHN Fc1cccc(F)c1CN1CCC[C@H](c2ccnc(SCCN3CCCC3)n2)C1 ZINC000014996371 558696396 /nfs/dbraw/zinc/69/63/96/558696396.db2.gz PAMYUFXFTLNVCZ-KRWDZBQOSA-N 0 3 418.557 4.322 50 0 HIAAHN Cc1cc(C)n(-c2cccc(C(=O)N(C)[C@H]3CCCN(CCc4ccccc4)C3)c2)n1 ZINC000015063770 558706376 /nfs/dbraw/zinc/70/63/76/558706376.db2.gz NKUARYVOLNUZFH-VWLOTQADSA-N 0 3 416.569 4.268 50 0 HIAAHN O=C(Nc1cccc(N2CCC(NCc3nc4ccccc4s3)CC2)c1)C1CC1 ZINC000015070239 558712366 /nfs/dbraw/zinc/71/23/66/558712366.db2.gz KSDPTIAFWXEFOQ-UHFFFAOYSA-N 0 3 406.555 4.403 50 0 HIAAHN CCOc1cc(CN2CCCCC[C@@H]2c2cccc(F)c2)ccc1OCC(N)=O ZINC000033087236 558760715 /nfs/dbraw/zinc/76/07/15/558760715.db2.gz SWBPSFDZVGMFOA-HXUWFJFHSA-N 0 3 400.494 4.206 50 0 HIAAHN O[C@H](COc1ccc(Br)cc1)CN1CCC(Cc2ccccc2)CC1 ZINC000004279535 558780685 /nfs/dbraw/zinc/78/06/85/558780685.db2.gz RSXFMHFYIPOTDZ-FQEVSTJZSA-N 0 3 404.348 4.144 50 0 HIAAHN CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000016402396 558790173 /nfs/dbraw/zinc/79/01/73/558790173.db2.gz GXXGDGGKWCMWJL-GOSISDBHSA-N 0 3 410.514 4.255 50 0 HIAAHN O=C(CSc1ccc(Br)cc1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000032983792 558804742 /nfs/dbraw/zinc/80/47/42/558804742.db2.gz ILMSSFDTBIJVPM-IBGZPJMESA-N 0 3 419.388 4.495 50 0 HIAAHN O=C(NCCCN(Cc1ccco1)C1CCCC1)c1noc2c1COc1ccccc1-2 ZINC000033028850 558852595 /nfs/dbraw/zinc/85/25/95/558852595.db2.gz GGQIBSQHYIJBFX-UHFFFAOYSA-N 0 3 421.497 4.392 50 0 HIAAHN O=C(NC1CCCCCCC1)[C@H]1c2ccccc2C(=O)N1CCCN1CCCCC1 ZINC000004686223 558895462 /nfs/dbraw/zinc/89/54/62/558895462.db2.gz VNCAZVNSWLKYTI-HSZRJFAPSA-N 0 3 411.590 4.289 50 0 HIAAHN O=C(NCCN1CCCCC1)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033261285 558928305 /nfs/dbraw/zinc/92/83/05/558928305.db2.gz UEJDQANBPPWNPQ-UHFFFAOYSA-N 0 3 419.504 4.242 50 0 HIAAHN CCOc1c(Br)cc(CN[C@@H](CN(C)C)c2ccccc2)cc1OC ZINC000096971410 558987008 /nfs/dbraw/zinc/98/70/08/558987008.db2.gz LOKYHGBDLNFBIK-SFHVURJKSA-N 0 3 407.352 4.249 50 0 HIAAHN CN(C)[C@@H](CNC(=O)COc1ccc(Cl)cc1Cl)c1cn(C)c2ccccc12 ZINC000023240000 559064776 /nfs/dbraw/zinc/06/47/76/559064776.db2.gz XBQNKQRQYSSNNH-IBGZPJMESA-N 0 3 420.340 4.283 50 0 HIAAHN CN(C)[C@H](CNC(=O)COc1ccc(Cl)cc1Cl)c1cn(C)c2ccccc12 ZINC000023240002 559064787 /nfs/dbraw/zinc/06/47/87/559064787.db2.gz XBQNKQRQYSSNNH-LJQANCHMSA-N 0 3 420.340 4.283 50 0 HIAAHN O=c1c(=O)c(N[C@@H]2CCCC[C@H]2N2CCCCC2)c1Nc1ccc(C(F)(F)F)cc1 ZINC000101387728 559146737 /nfs/dbraw/zinc/14/67/37/559146737.db2.gz JRSCPJJNZMRAQS-IAGOWNOFSA-N 0 3 421.463 4.254 50 0 HIAAHN CCCOc1c(Br)cc(CNCCCOc2ccccn2)cc1OC ZINC000113396689 559179892 /nfs/dbraw/zinc/17/98/92/559179892.db2.gz XXRUAJIKDUWUQC-UHFFFAOYSA-N 0 3 409.324 4.200 50 0 HIAAHN CCN1CCC[C@@H]1CNC(=O)CSc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000004901494 559199869 /nfs/dbraw/zinc/19/98/69/559199869.db2.gz DMCSEYANCVHVBW-MRXNPFEDSA-N 0 3 418.006 4.460 50 0 HIAAHN O=C(CCSc1ccccc1)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000079013441 560540873 /nfs/dbraw/zinc/54/08/73/560540873.db2.gz NAEFYVQXPMDEBF-UHFFFAOYSA-N 0 3 412.599 4.356 50 0 HIAAHN CCC[C@@H]1[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)C2ON1c1ccccc1 ZINC000101036820 560766858 /nfs/dbraw/zinc/76/68/58/560766858.db2.gz OAEOLBCEEPGHDO-RYRKJORJSA-N 0 3 405.281 4.472 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)c(F)c3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000018067084 560774441 /nfs/dbraw/zinc/77/44/41/560774441.db2.gz RLIPVQWPVHWTJF-QHAWAJNXSA-N 0 3 424.378 4.155 50 0 HIAAHN O=c1occ(C[NH+]2CCCCCC2)c([O-])c1CN1CCC(Cc2ccccc2)CC1 ZINC000101374500 560793535 /nfs/dbraw/zinc/79/35/35/560793535.db2.gz GRUPLHSCXBTYGU-UHFFFAOYSA-N 0 3 410.558 4.176 50 0 HIAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)c1 ZINC000102663061 560819271 /nfs/dbraw/zinc/81/92/71/560819271.db2.gz FCFTXJGUUHNPLC-BHIFYINESA-N 0 3 402.425 4.185 50 0 HIAAHN C[C@@H]1C[C@@H](C)CN([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)C1 ZINC000103683572 560843875 /nfs/dbraw/zinc/84/38/75/560843875.db2.gz VWIIVWRQISAIDK-CBGDNZLLSA-N 0 3 406.979 4.338 50 0 HIAAHN COc1cc(CNC[C@@H](c2ccco2)N(C)C)ccc1OCc1csc(C)n1 ZINC000022786830 568499672 /nfs/dbraw/zinc/49/96/72/568499672.db2.gz RJFJVZAREDHYSS-SFHVURJKSA-N 0 3 401.532 4.025 50 0 HIAAHN CN(C)[C@H](CNC(=O)CSc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000005780561 568559997 /nfs/dbraw/zinc/55/99/97/568559997.db2.gz KDTBIQUPKZHJFR-MRXNPFEDSA-N 0 3 405.976 4.461 50 0 HIAAHN O=C(NCCN1CCCCC1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000020988172 568655203 /nfs/dbraw/zinc/65/52/03/568655203.db2.gz ZIHZCDUNDGWOQR-UHFFFAOYSA-N 0 3 420.557 4.277 50 0 HIAAHN COCCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)N2CCC(C)CC2)c1=O ZINC000021097965 568665370 /nfs/dbraw/zinc/66/53/70/568665370.db2.gz VJZWFTKNDQACDV-QFIPXVFZSA-N 0 3 416.587 4.052 50 0 HIAAHN C[C@@H]1CN(Cc2ccccc2CNCc2cc(Br)cs2)C[C@@H](C)O1 ZINC000095951441 568667727 /nfs/dbraw/zinc/66/77/27/568667727.db2.gz OKBCEXKKDKQCEQ-HUUCEWRRSA-N 0 3 409.393 4.410 50 0 HIAAHN CN(C)CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)Cc1cccnc1 ZINC000096007143 568683188 /nfs/dbraw/zinc/68/31/88/568683188.db2.gz QSTDCJYXBOXKAP-UHFFFAOYSA-N 0 3 415.752 4.044 50 0 HIAAHN O=C(CCc1conc1-c1cccc(F)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000096386694 568743409 /nfs/dbraw/zinc/74/34/09/568743409.db2.gz IZTNQNHVBVKAIC-UHFFFAOYSA-N 0 3 407.489 4.194 50 0 HIAAHN CCCCCC(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057312052 568826535 /nfs/dbraw/zinc/82/65/35/568826535.db2.gz RVKQMDWASUZSIP-UHFFFAOYSA-N 0 3 424.614 4.402 50 0 HIAAHN CC(=O)Nc1ccc(OC[C@@H](O)CNC(C)(C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000084796793 568959837 /nfs/dbraw/zinc/95/98/37/568959837.db2.gz KDMFTCWVQOPSIK-INIZCTEOSA-N 0 3 411.329 4.216 50 0 HIAAHN CCN1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2cc(OC)cc(OC)c2)CC1 ZINC000015679806 568966909 /nfs/dbraw/zinc/96/69/09/568966909.db2.gz XWLZFFXRBGBYRM-UHFFFAOYSA-N 0 3 415.509 4.361 50 0 HIAAHN CC(C)[C@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1 ZINC000008003135 568967850 /nfs/dbraw/zinc/96/78/50/568967850.db2.gz GXLVOQKMKJVPGF-FQEVSTJZSA-N 0 3 417.435 4.212 50 0 HIAAHN Cc1oc(-c2ccc(C(=O)NCCN3CCCC3)cc2)nc1COc1ccc(C)cc1 ZINC000015682141 568968468 /nfs/dbraw/zinc/96/84/68/568968468.db2.gz UOSQJPKOCIYWEZ-UHFFFAOYSA-N 0 3 419.525 4.363 50 0 HIAAHN CC1CCN([C@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)c2cccs2)CC1 ZINC000008272184 568986504 /nfs/dbraw/zinc/98/65/04/568986504.db2.gz OFEGJSMBCMYGPL-HXUWFJFHSA-N 0 3 411.571 4.078 50 0 HIAAHN COc1ccc([C@H](CNC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)N(C)C)cc1 ZINC000008345467 568994441 /nfs/dbraw/zinc/99/44/41/568994441.db2.gz XFYTYUXTEZXNGI-OSPHWJPCSA-N 0 3 406.526 4.380 50 0 HIAAHN Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)NCCCN(C)Cc1ccccc1 ZINC000012897955 569020462 /nfs/dbraw/zinc/02/04/62/569020462.db2.gz PJKGIVYSBZHFRM-UHFFFAOYSA-N 0 3 404.558 4.109 50 0 HIAAHN CCOc1ccc(OC[C@@H](O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000016044487 569028243 /nfs/dbraw/zinc/02/82/43/569028243.db2.gz NJKHRSJAFYFJLP-MSOLQXFVSA-N 0 3 412.555 4.314 50 0 HIAAHN CN(C)CCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccccc1C(F)(F)F ZINC000006734904 569041592 /nfs/dbraw/zinc/04/15/92/569041592.db2.gz NBESRZVVBXBNBL-KRWDZBQOSA-N 0 3 403.448 4.387 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@H]3C2=O)c(C)c1 ZINC000245324865 569055793 /nfs/dbraw/zinc/05/57/93/569055793.db2.gz BCOGPEAYQAMWRM-NJDAHSKKSA-N 0 3 404.491 4.416 50 0 HIAAHN CCn1cc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)c2cc(OC)ccc21 ZINC000064669635 569078851 /nfs/dbraw/zinc/07/88/51/569078851.db2.gz DDBHZDUPJVOJND-UHFFFAOYSA-N 0 3 423.532 4.337 50 0 HIAAHN CCN(Cc1ccccc1)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006809611 569133571 /nfs/dbraw/zinc/13/35/71/569133571.db2.gz SUXNLXCDPSSYAD-LEWJYISDSA-N 0 3 406.979 4.452 50 0 HIAAHN Cc1ccc(CN2CCN(C(=O)c3cccc4[nH]cc(CN5CCCC5)c43)CC2)cc1 ZINC000065135805 569184126 /nfs/dbraw/zinc/18/41/26/569184126.db2.gz BJFFZNXJQINBPK-UHFFFAOYSA-N 0 3 416.569 4.030 50 0 HIAAHN Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)Nc1ccc(CN2CCCCC2)cc1 ZINC000065329756 569225004 /nfs/dbraw/zinc/22/50/04/569225004.db2.gz UAYYQHSPOGEEOT-UHFFFAOYSA-N 0 3 422.529 4.192 50 0 HIAAHN O=C(NCCN1CCCC1)c1cc2sc(Br)cc2n1CC1CCC1 ZINC000037587878 569308225 /nfs/dbraw/zinc/30/82/25/569308225.db2.gz CEIDMWCQVBHZRM-UHFFFAOYSA-N 0 3 410.381 4.091 50 0 HIAAHN Fc1cccc(CN2CCC[C@@]3(CCN(Cc4cccn4-c4ncccn4)C3)C2)c1F ZINC000015067665 571134671 /nfs/dbraw/zinc/13/46/71/571134671.db2.gz QFJPLCSOBVFTHL-XMMPIXPASA-N 0 3 423.511 4.034 50 0 HIAAHN COc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2Cl)N2CCCC2)cc1 ZINC000008935327 571163636 /nfs/dbraw/zinc/16/36/36/571163636.db2.gz VPLQXKGEULTZKJ-FQEVSTJZSA-N 0 3 407.341 4.498 50 0 HIAAHN COc1ccc([C@H](CNC(=O)Nc2cccnc2Oc2ccccc2)N(C)C)cc1 ZINC000040121151 571177230 /nfs/dbraw/zinc/17/72/30/571177230.db2.gz ZANIBLZPHQMSEU-NRFANRHFSA-N 0 3 406.486 4.307 50 0 HIAAHN CCOc1cccc2c1OC1(CCN(CC)CC1)N1N=C(c3cccc(O)c3)C[C@@H]21 ZINC000010214568 571297004 /nfs/dbraw/zinc/29/70/04/571297004.db2.gz AIXGBBZVNOKDHN-NRFANRHFSA-N 0 3 407.514 4.146 50 0 HIAAHN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1F)N(CCCN(C)C)C3=O ZINC000010233136 571297487 /nfs/dbraw/zinc/29/74/87/571297487.db2.gz DCOOAGWBCIBRKU-OAQYLSRUSA-N 0 3 408.473 4.046 50 0 HIAAHN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1cccc2ccccc21)N(C)C ZINC000010333818 571300636 /nfs/dbraw/zinc/30/06/36/571300636.db2.gz PBLPBHWJGXWCSI-OAQYLSRUSA-N 0 3 409.917 4.159 50 0 HIAAHN Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N2CCCC2)c(C)c1 ZINC000010334231 571300841 /nfs/dbraw/zinc/30/08/41/571300841.db2.gz SYDPWXZXTXBHDI-XMMPIXPASA-N 0 3 415.537 4.348 50 0 HIAAHN CCc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N2CCCC2)cc1 ZINC000010334106 571300854 /nfs/dbraw/zinc/30/08/54/571300854.db2.gz ONCKQAIUIWDVDU-DEOSSOPVSA-N 0 3 415.537 4.294 50 0 HIAAHN O=C(CC[C@@H]1CCCN(Cc2cccn2-c2cccnc2)C1)NCc1ccccc1F ZINC000011820615 845837111 /nfs/dbraw/zinc/83/71/11/845837111.db2.gz JGLZTFNAPGOMDW-FQEVSTJZSA-N 0 3 420.532 4.320 50 0 HIAAHN O=C(CCC1CCN(Cc2ccc(CO)o2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000011944480 845842793 /nfs/dbraw/zinc/84/27/93/845842793.db2.gz WBUIALIWMMLRMQ-UHFFFAOYSA-N 0 3 424.585 4.245 50 0 HIAAHN Fc1ccc(CN2CCC[C@@H](c3ccnc(SCCN4CCCC4)n3)C2)c(F)c1 ZINC000011982707 845845751 /nfs/dbraw/zinc/84/57/51/845845751.db2.gz PIWSIDGLSKJGQY-GOSISDBHSA-N 0 3 418.557 4.322 50 0 HIAAHN COc1cccc(C[C@@]2(CO)CCCN(CC3=Cc4cc(Cl)ccc4OC3)C2)c1 ZINC000012431034 845870050 /nfs/dbraw/zinc/87/00/50/845870050.db2.gz IMCXVUCDBLNIIV-DEOSSOPVSA-N 0 3 413.945 4.442 50 0 HIAAHN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)CN2CCCCCC2)CC1 ZINC000012456679 845872715 /nfs/dbraw/zinc/87/27/15/845872715.db2.gz PUFRAKIHBHHMNU-UHFFFAOYSA-N 0 3 414.590 4.057 50 0 HIAAHN C[C@@H](c1cccs1)N1C(=O)c2cccc(N3CCN(CC(C)(C)C)CC3)c2C1=O ZINC000014988132 845997036 /nfs/dbraw/zinc/99/70/36/845997036.db2.gz LSJWSRYRUDPJGR-INIZCTEOSA-N 0 3 411.571 4.273 50 0 HIAAHN CC(C)Cc1cc(CN2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n[nH]1 ZINC000015062032 846005453 /nfs/dbraw/zinc/00/54/53/846005453.db2.gz CLTCWPUAJLXGKF-KRWDZBQOSA-N 0 3 418.532 4.195 50 0 HIAAHN O=C(Cc1cccnc1)N1CCC(N2CC3(CCCCC3)[C@H]2c2ccncc2)CC1 ZINC000169786988 853664727 /nfs/dbraw/zinc/66/47/27/853664727.db2.gz QJCFNHZDJKUFSN-XMMPIXPASA-N 0 3 404.558 4.018 50 0 HIAAHN Cc1ccc(CN2CCC3(CC2)C[C@H](Cc2nc(-c4ccncc4)no2)CCO3)o1 ZINC000575544600 948675987 /nfs/dbraw/zinc/67/59/87/948675987.db2.gz GRHZLLGTBZSAQT-SFHVURJKSA-N 0 3 408.502 4.037 50 0 HIAAHN CCOc1cc(CNCCOC)cc(Br)c1OCc1ccccc1C ZINC000040740228 520714982 /nfs/dbraw/zinc/71/49/82/520714982.db2.gz RZQRQKBGJJXXAT-UHFFFAOYSA-N 0 3 408.336 4.471 50 0 HIAAHN COc1cc(CNCCCO)cc(Br)c1OCc1cccc(Cl)c1 ZINC000040743766 522446510 /nfs/dbraw/zinc/44/65/10/522446510.db2.gz JWGHKERBTSNEMU-UHFFFAOYSA-N 0 3 414.727 4.162 50 0 HIAAHN COc1cc(CNCCCN2CCOCC2)cc(Cl)c1OCc1cccc(C)c1 ZINC000040720570 522446993 /nfs/dbraw/zinc/44/69/93/522446993.db2.gz AANBLCBBSWQACR-UHFFFAOYSA-N 0 3 418.965 4.048 50 0 HIAAHN CC[C@@H](CO)NCc1cc(Br)c(OCc2ccccc2C)c(OC)c1 ZINC000040733449 522572705 /nfs/dbraw/zinc/57/27/05/522572705.db2.gz HRTQYNMVHKAUCF-KRWDZBQOSA-N 0 3 408.336 4.206 50 0 HIAAHN COc1ccc(CCNCc2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000040732823 523976385 /nfs/dbraw/zinc/97/63/85/523976385.db2.gz AFGMITFUFTZCDP-UHFFFAOYSA-N 0 3 404.510 4.353 50 0 HIAAHN COc1cccc([C@@H](CNC(=O)/C=C/c2ccc(OC(F)F)cc2)N2CCCC2)c1 ZINC000040160155 524095135 /nfs/dbraw/zinc/09/51/35/524095135.db2.gz XTHXIONLWBXZEE-VZOQVYJPSA-N 0 3 416.468 4.263 50 0 HIAAHN COc1ccc(Cc2nc3ccc(C(=O)NCCN4CCCC[C@H]4C)cc3o2)cc1 ZINC000040451183 524166935 /nfs/dbraw/zinc/16/69/35/524166935.db2.gz BDPLFYGSBOIPDS-QGZVFWFLSA-N 0 3 407.514 4.031 50 0 HIAAHN Fc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccc4ccccc4n3)C2)CC1 ZINC000020540586 526413904 /nfs/dbraw/zinc/41/39/04/526413904.db2.gz BSQJFRIYCJCYDJ-JOCHJYFZSA-N 0 3 404.533 4.161 50 0 HIAAHN COc1ccc(C[C@@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000004981246 536496518 /nfs/dbraw/zinc/49/65/18/536496518.db2.gz SBLKUDGIULXZDL-MRXNPFEDSA-N 0 3 408.464 4.476 50 0 HIAAHN OCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000002845718 557402771 /nfs/dbraw/zinc/40/27/71/557402771.db2.gz ACGFRFTVPHPBAR-UHFFFAOYSA-N 0 3 405.119 4.417 50 0 HIAAHN COCCN(C[C@H]1CN(Cc2cccs2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740519 557444041 /nfs/dbraw/zinc/44/40/41/557444041.db2.gz HTQWRLSEVGPVIZ-DENIHFKCSA-N 0 3 418.578 4.234 50 0 HIAAHN COc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000004657452 557577038 /nfs/dbraw/zinc/57/70/38/557577038.db2.gz XGHDTURFPLBVDB-OAHLLOKOSA-N 0 3 404.938 4.493 50 0 HIAAHN CCOc1cc(CNCCO)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000004670731 557579271 /nfs/dbraw/zinc/57/92/71/557579271.db2.gz RSFJKZMNGBNGFH-UHFFFAOYSA-N 0 3 414.727 4.162 50 0 HIAAHN O=C(NC[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1)c1n[nH]c2ccccc21 ZINC000011663755 558267253 /nfs/dbraw/zinc/26/72/53/558267253.db2.gz MKSSYFOBQTUJBI-MRXNPFEDSA-N 0 3 416.447 4.224 50 0 HIAAHN COc1cccc(-c2cc(CC3(O)CCN(CCCc4ccccc4)CC3)on2)c1 ZINC000011814440 558278872 /nfs/dbraw/zinc/27/88/72/558278872.db2.gz KFNDDWGIEPKIFW-UHFFFAOYSA-N 0 3 406.526 4.352 50 0 HIAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccnc(Cl)c1 ZINC000011815287 558279230 /nfs/dbraw/zinc/27/92/30/558279230.db2.gz SBPWWRPJPSACHJ-LJQANCHMSA-N 0 3 415.965 4.160 50 0 HIAAHN CCOc1cc2c(cc1OCC)[C@@H](c1cccc(I)c1)NCC2 ZINC000019847956 558294917 /nfs/dbraw/zinc/29/49/17/558294917.db2.gz ZNNLLNFVGMVPQG-LJQANCHMSA-N 0 3 423.294 4.324 50 0 HIAAHN CN(C)[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)c1ccccc1 ZINC000011905203 558295726 /nfs/dbraw/zinc/29/57/26/558295726.db2.gz JMJFSVWEOGEPEH-GOSISDBHSA-N 0 3 414.303 4.137 50 0 HIAAHN O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1cccc(F)c1F ZINC000012040732 558312828 /nfs/dbraw/zinc/31/28/28/558312828.db2.gz NDAFQJCALMFBHF-HNNXBMFYSA-N 0 3 422.859 4.018 50 0 HIAAHN CN(Cc1ccc(OCCNC(=O)[C@H]2CCCO2)cc1)Cc1cccc2ccccc21 ZINC000012127218 558331428 /nfs/dbraw/zinc/33/14/28/558331428.db2.gz BEXMNQHIFAJUKP-RUZDIDTESA-N 0 3 418.537 4.146 50 0 HIAAHN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(Cc2cccn2-c2nccs2)C1 ZINC000012303940 558373356 /nfs/dbraw/zinc/37/33/56/558373356.db2.gz YVPAHZZHFUHTJI-HSZRJFAPSA-N 0 3 409.555 4.322 50 0 HIAAHN CN(C(=O)c1cn2cc(Cl)ccc2n1)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000012307200 558375837 /nfs/dbraw/zinc/37/58/37/558375837.db2.gz PMCQLRMCSZXJJM-HXUWFJFHSA-N 0 3 410.949 4.157 50 0 HIAAHN CCn1cc(CN2CCC[C@@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)cn1 ZINC000012373043 558390544 /nfs/dbraw/zinc/39/05/44/558390544.db2.gz UFOGIVCZVRTFGH-OAQYLSRUSA-N 0 3 418.541 4.429 50 0 HIAAHN COc1ccc(C(=O)[C@H]2CCCN(Cc3ccc(-n4cccn4)cc3C)C2)cc1F ZINC000012387239 558396103 /nfs/dbraw/zinc/39/61/03/558396103.db2.gz XNZZRXRYLUGBHM-FQEVSTJZSA-N 0 3 407.489 4.423 50 0 HIAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)C1=C(c2ccccc2)SCCO1 ZINC000020715056 558400853 /nfs/dbraw/zinc/40/08/53/558400853.db2.gz DAGXRJXZTXHGKU-QGZVFWFLSA-N 0 3 400.569 4.133 50 0 HIAAHN CSCc1ccc(C(=O)N(C)CC2CCN(CCc3ccc(F)cc3)CC2)o1 ZINC000012431413 558405997 /nfs/dbraw/zinc/40/59/97/558405997.db2.gz ZNFPMPCTUNXFLW-UHFFFAOYSA-N 0 3 404.551 4.308 50 0 HIAAHN COc1ccc(-n2cc(CNCCOc3cccnc3)c(-c3cccc(F)c3)n2)cc1 ZINC000012436407 558409032 /nfs/dbraw/zinc/40/90/32/558409032.db2.gz LTXWXTGBUCSMHE-UHFFFAOYSA-N 0 3 418.472 4.251 50 0 HIAAHN COc1cc(CNC(C)(C)CO)cc(Br)c1OCc1ccc(C)cc1 ZINC000020873813 558418398 /nfs/dbraw/zinc/41/83/98/558418398.db2.gz QBIDMQGIXVRGGU-UHFFFAOYSA-N 0 3 408.336 4.206 50 0 HIAAHN Clc1cc(Br)ccc1-c1ccc(CNCCCN2CCOCC2)o1 ZINC000020875603 558419083 /nfs/dbraw/zinc/41/90/83/558419083.db2.gz CEVQYOATFGLJCF-UHFFFAOYSA-N 0 3 413.743 4.174 50 0 HIAAHN C[C@@H](COc1ccccc1)N1CCC(Oc2cccc(C(=O)N3CCCC3)c2)CC1 ZINC000012472842 558422241 /nfs/dbraw/zinc/42/22/41/558422241.db2.gz NAELFVMSQQKCIW-FQEVSTJZSA-N 0 3 408.542 4.233 50 0 HIAAHN Cn1cc(CN2CCC(Oc3ccc(F)cc3)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012472198 558422314 /nfs/dbraw/zinc/42/23/14/558422314.db2.gz XEVMPCBNWQHTJO-UHFFFAOYSA-N 0 3 423.488 4.041 50 0 HIAAHN CCCOc1ccc2ccccc2c1CNCCSc1nnnn1-c1ccccc1 ZINC000020930761 558424188 /nfs/dbraw/zinc/42/41/88/558424188.db2.gz DHUCIYRYBIWULO-UHFFFAOYSA-N 0 3 419.554 4.486 50 0 HIAAHN COCc1ccc(CN2CCC[C@@H](CCC(=O)Nc3ccc(OC)cc3C)C2)o1 ZINC000012593989 558436859 /nfs/dbraw/zinc/43/68/59/558436859.db2.gz QXMKKUHRBBNMOG-SFHVURJKSA-N 0 3 400.519 4.374 50 0 HIAAHN COc1ccc(C(=O)NC2CC2)c(OC2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)c1 ZINC000012715735 558455064 /nfs/dbraw/zinc/45/50/64/558455064.db2.gz BNGLFCOREYCGIX-MBSDFSHPSA-N 0 3 424.585 4.423 50 0 HIAAHN Clc1ccc(OCc2ccccc2Cl)c(CNCCCN2CCOCC2)c1 ZINC000022074114 558462178 /nfs/dbraw/zinc/46/21/78/558462178.db2.gz DRLQXBXEJBQJPO-UHFFFAOYSA-N 0 3 409.357 4.384 50 0 HIAAHN C[C@@H](NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc2c(c1)CCCC2 ZINC000012794830 558467870 /nfs/dbraw/zinc/46/78/70/558467870.db2.gz RXLORHZFNLLVSZ-LJQANCHMSA-N 0 3 419.569 4.093 50 0 HIAAHN O=C(CC1C(=O)N(Cc2ccccc2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000023382072 558555561 /nfs/dbraw/zinc/55/55/61/558555561.db2.gz WOZMVGNFBASRSN-NRFANRHFSA-N 0 3 414.440 4.292 50 0 HIAAHN Clc1ccccc1COc1ccc2ccccc2c1CNCCN1CCOCC1 ZINC000023469465 558559251 /nfs/dbraw/zinc/55/92/51/558559251.db2.gz ZIUGSWJRNODYRH-UHFFFAOYSA-N 0 3 410.945 4.494 50 0 HIAAHN CCCc1ccc([C@@H](NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)C(C)C)cc1 ZINC000024748026 558609734 /nfs/dbraw/zinc/60/97/34/558609734.db2.gz QJXOCEDCEYAXDW-DEOSSOPVSA-N 0 3 407.558 4.457 50 0 HIAAHN CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCc1ccc(Cl)s1)C2 ZINC000014537544 558658671 /nfs/dbraw/zinc/65/86/71/558658671.db2.gz HSLCPRAAJUIJPL-OAHLLOKOSA-N 0 3 421.010 4.281 50 0 HIAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2scnc2C)CC1 ZINC000014958802 558683115 /nfs/dbraw/zinc/68/31/15/558683115.db2.gz GVHVTNCAWCQUAW-UHFFFAOYSA-N 0 3 415.603 4.471 50 0 HIAAHN COc1ccc(-c2nn(-c3ccccc3F)cc2CN(C)CCc2cnn(C)c2)cc1 ZINC000014968244 558686610 /nfs/dbraw/zinc/68/66/10/558686610.db2.gz IDCAZKLAZYYARU-UHFFFAOYSA-N 0 3 419.504 4.095 50 0 HIAAHN COc1ccc(C(=O)[C@H]2CCCN(Cc3ccc(-n4cccn4)cc3C)C2)cc1OC ZINC000014971250 558687299 /nfs/dbraw/zinc/68/72/99/558687299.db2.gz RQPIKXYYWCSHOS-NRFANRHFSA-N 0 3 419.525 4.293 50 0 HIAAHN C[C@@H](Cc1ccccn1)N1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000015065510 558708355 /nfs/dbraw/zinc/70/83/55/558708355.db2.gz VLCWFWDHUCJPKU-FQEVSTJZSA-N 0 3 407.558 4.182 50 0 HIAAHN O=C(c1ccc(OC2CCN(C3CSCCSC3)CC2)cc1)N1CCCCC1 ZINC000015073499 558714246 /nfs/dbraw/zinc/71/42/46/558714246.db2.gz XZHINUBRNAETLP-UHFFFAOYSA-N 0 3 420.644 4.005 50 0 HIAAHN CCOc1ccc(NC(=O)c2c(NC(=O)CNCC(C)C)sc3c2CCC3)cc1 ZINC000004553406 558720606 /nfs/dbraw/zinc/72/06/06/558720606.db2.gz MXGCHFFZMQZXQR-UHFFFAOYSA-N 0 3 415.559 4.072 50 0 HIAAHN Cc1ccc(-c2nc(CC(=O)NC3CCN(Cc4ccccc4)CC3)cs2)cc1 ZINC000030057272 558726974 /nfs/dbraw/zinc/72/69/74/558726974.db2.gz BZESJVQVPAZDGH-UHFFFAOYSA-N 0 3 405.567 4.442 50 0 HIAAHN COc1ccc(CNC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c(OC)c1OC ZINC000030910898 558744419 /nfs/dbraw/zinc/74/44/19/558744419.db2.gz CGYSFKDNZXOPLC-SFHVURJKSA-N 0 3 422.928 4.432 50 0 HIAAHN CC(=O)c1ccc(C(=O)NCC2(N(C)Cc3ccccc3)Cc3ccccc3C2)s1 ZINC000019225876 558852561 /nfs/dbraw/zinc/85/25/61/558852561.db2.gz PHICIGXVYHUFIN-UHFFFAOYSA-N 0 3 418.562 4.350 50 0 HIAAHN Brc1cc(CNC[C@@H](c2cccs2)N2CCCC2)cc2c1OCO2 ZINC000058157636 558903469 /nfs/dbraw/zinc/90/34/69/558903469.db2.gz AWLYGSSANCBTIG-HNNXBMFYSA-N 0 3 409.349 4.166 50 0 HIAAHN O=C(NCCN1CCCCC1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260963 558926461 /nfs/dbraw/zinc/92/64/61/558926461.db2.gz CHVNUVPBHJPAKG-UHFFFAOYSA-N 0 3 419.504 4.242 50 0 HIAAHN COC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019592555 558943469 /nfs/dbraw/zinc/94/34/69/558943469.db2.gz JNDMCCLHOOGDFM-UHFFFAOYSA-N 0 3 400.478 4.284 50 0 HIAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC[C@H]2CCO)cc1F ZINC000072463115 558983133 /nfs/dbraw/zinc/98/31/33/558983133.db2.gz FLPQFXLIZIMIOW-FQEVSTJZSA-N 0 3 409.505 4.342 50 0 HIAAHN Cc1ccc(CN2CCC(C(=O)N(C)Cc3nc(-c4cccc(C)c4)no3)CC2)cc1 ZINC000067604333 558988439 /nfs/dbraw/zinc/98/84/39/558988439.db2.gz DVUAMDQUBWKAFI-UHFFFAOYSA-N 0 3 418.541 4.224 50 0 HIAAHN CCOc1c(Br)cc(CN[C@H](CN(C)C)c2ccccc2)cc1OC ZINC000096971411 559015426 /nfs/dbraw/zinc/01/54/26/559015426.db2.gz LOKYHGBDLNFBIK-GOSISDBHSA-N 0 3 407.352 4.249 50 0 HIAAHN O=C(NC[C@H](c1ccccc1)N1CCCCCC1)c1cc(-c2ccc(O)cc2)n[nH]1 ZINC000091997959 559074928 /nfs/dbraw/zinc/07/49/28/559074928.db2.gz SZTLQEIVYGIYIB-HSZRJFAPSA-N 0 3 404.514 4.129 50 0 HIAAHN CCOc1c(Br)cc(CNCCc2nc3ccccc3[nH]2)cc1OC ZINC000113399111 559180503 /nfs/dbraw/zinc/18/05/03/559180503.db2.gz HDXSJOGBAJFTHB-UHFFFAOYSA-N 0 3 404.308 4.065 50 0 HIAAHN COc1ccccc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)CC1 ZINC000061991174 560564702 /nfs/dbraw/zinc/56/47/02/560564702.db2.gz TUGNZPZGRMNXOD-RVAQQJMASA-N 0 3 424.585 4.131 50 0 HIAAHN COc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@@H]43)CC2)c1 ZINC000061997530 560565008 /nfs/dbraw/zinc/56/50/08/560565008.db2.gz DUJXNMSRDCOORC-HLMLHLEXSA-N 0 3 422.569 4.052 50 0 HIAAHN COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@H]34)CC2)c1 ZINC000061997531 560565022 /nfs/dbraw/zinc/56/50/22/560565022.db2.gz DUJXNMSRDCOORC-MWXBQQNOSA-N 0 3 422.569 4.052 50 0 HIAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000102663103 560819365 /nfs/dbraw/zinc/81/93/65/560819365.db2.gz YDFNFNCLYUEFQC-DNVJHFABSA-N 0 3 416.452 4.439 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(F)c4)[C@H]3C2=O)cc1 ZINC000102759020 560825977 /nfs/dbraw/zinc/82/59/77/560825977.db2.gz IDJCVRPNKSOUSB-BHIFYINESA-N 0 3 402.425 4.185 50 0 HIAAHN Cc1cc(C)c(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)c(C)c1 ZINC000103561034 560843255 /nfs/dbraw/zinc/84/32/55/560843255.db2.gz JCBOXEYMRLXMJU-ACIOBRDBSA-N 0 3 413.477 4.058 50 0 HIAAHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@@H]3C2=O)c(C)c1 ZINC000103561034 560843257 /nfs/dbraw/zinc/84/32/57/560843257.db2.gz JCBOXEYMRLXMJU-ACIOBRDBSA-N 0 3 413.477 4.058 50 0 HIAAHN C[C@@H]1C[C@H](C)CN([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)C1 ZINC000103683575 560843863 /nfs/dbraw/zinc/84/38/63/560843863.db2.gz VWIIVWRQISAIDK-LLGFUMIMSA-N 0 3 406.979 4.338 50 0 HIAAHN CCOc1cc(CNCCOCCO)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000010435696 568416266 /nfs/dbraw/zinc/41/62/66/568416266.db2.gz ZGNIBVWZSXAZMH-UHFFFAOYSA-N 0 3 414.329 4.070 50 0 HIAAHN COc1cc(Br)c(CNC2CCN(Cc3ccccc3)CC2)cc1OC ZINC000022771271 568499500 /nfs/dbraw/zinc/49/95/00/568499500.db2.gz YOIOORCYSGOSIS-UHFFFAOYSA-N 0 3 419.363 4.221 50 0 HIAAHN CCc1ccc([C@@H](CNC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)N(C)C)cc1 ZINC000022870586 568500388 /nfs/dbraw/zinc/50/03/88/568500388.db2.gz MNDRABJFMRWTBO-OAQYLSRUSA-N 0 3 424.976 4.488 50 0 HIAAHN CCN1CCC[C@H]1CN(Cc1nnc(Cc2ccccc2C)o1)Cc1ccc(O)cc1 ZINC000095459853 568620043 /nfs/dbraw/zinc/62/00/43/568620043.db2.gz YHMVWKHKFFSNCZ-QFIPXVFZSA-N 0 3 420.557 4.161 50 0 HIAAHN CC1=C2C[C@@H]3[C@H](CN4CCN(C5CCCCC5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000020611812 568637540 /nfs/dbraw/zinc/63/75/40/568637540.db2.gz DAYTVCRITHQGJC-SWXWDQRWSA-N 0 3 400.607 4.395 50 0 HIAAHN CC(C)CC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000020762621 568642701 /nfs/dbraw/zinc/64/27/01/568642701.db2.gz DOFKULVNRMZKAN-UGKGYDQZSA-N 0 3 423.605 4.101 50 0 HIAAHN Cc1ccccc1-n1ncc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)c1C(F)(F)F ZINC000225736695 568669686 /nfs/dbraw/zinc/66/96/86/568669686.db2.gz UVQRWHRWFPOSGO-KRWDZBQOSA-N 0 3 408.468 4.050 50 0 HIAAHN Cc1nn(-c2ccc(Br)cc2)c(C)c1CNc1cc(CN(C)C)ccn1 ZINC000095992274 568677890 /nfs/dbraw/zinc/67/78/90/568677890.db2.gz NZQVOJUXNYHMGE-UHFFFAOYSA-N 0 3 414.351 4.320 50 0 HIAAHN CCC(CC)(C(=O)NCc1ccccc1CN1CC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000096006289 568682574 /nfs/dbraw/zinc/68/25/74/568682574.db2.gz KDUUFKAKKOBAOQ-JOCHJYFZSA-N 0 3 414.977 4.281 50 0 HIAAHN CCOC(=O)c1nc2ccccc2c(NCC2CCN(Cc3ccccc3F)CC2)n1 ZINC000021645255 568728114 /nfs/dbraw/zinc/72/81/14/568728114.db2.gz MYYULQPKYUJMEO-UHFFFAOYSA-N 0 3 422.504 4.270 50 0 HIAAHN Cc1ccc(CN2c3ccccc3OC[C@@H]2CC(=O)NCCN2CCCCCC2)cc1 ZINC000096323073 568731381 /nfs/dbraw/zinc/73/13/81/568731381.db2.gz YICLHKMFRLPSGU-QHCPKHFHSA-N 0 3 421.585 4.145 50 0 HIAAHN OCCCCNCc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000247795187 568745690 /nfs/dbraw/zinc/74/56/90/568745690.db2.gz QSXVWQXVUQTYCQ-UHFFFAOYSA-N 0 3 405.329 4.162 50 0 HIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4C)[C@@H]3C2=O)c1 ZINC000230049510 568804327 /nfs/dbraw/zinc/80/43/27/568804327.db2.gz RDNUDPXUHZXUGP-YTFSRNRJSA-N 0 3 414.461 4.055 50 0 HIAAHN COc1ccc(-c2c(C)oc3cc(OC[C@H](O)CN4CCCCC4)ccc3c2=O)cc1 ZINC000003227712 568864381 /nfs/dbraw/zinc/86/43/81/568864381.db2.gz SMGPONMGGHRGOD-LJQANCHMSA-N 0 3 423.509 4.003 50 0 HIAAHN Cc1cc(C)cc(Oc2coc3cc(OC[C@@H](O)CN4CCCCC4)ccc3c2=O)c1 ZINC000001522234 569016481 /nfs/dbraw/zinc/01/64/81/569016481.db2.gz FLNHCFBECDJGOT-IBGZPJMESA-N 0 3 423.509 4.428 50 0 HIAAHN O[C@H](COc1ccc(Cl)cc1Cl)CN1CCC([C@H](O)c2ccccc2)CC1 ZINC000012892567 569020269 /nfs/dbraw/zinc/02/02/69/569020269.db2.gz PJCRBDSQOQMWGE-GHTZIAJQSA-N 0 3 410.341 4.179 50 0 HIAAHN Cc1ccc(-c2[nH]nc3c2C(C(=O)c2ccc(Br)cc2)CC(=O)N3)cc1 ZINC000035511562 569043052 /nfs/dbraw/zinc/04/30/52/569043052.db2.gz LOJHKJLDWGMGBQ-HNNXBMFYSA-N 0 3 410.271 4.456 50 0 HIAAHN CC(C)N(Cc1ccc(NC(=O)NCC(C)(C)C[C@H](C)O)cc1)C[C@H]1CCCCO1 ZINC000241837544 569054857 /nfs/dbraw/zinc/05/48/57/569054857.db2.gz SKYWECYRVLCIIV-SIKLNZKXSA-N 0 3 419.610 4.385 50 0 HIAAHN COc1cccc(CN(CCC(C)C)C[C@H](O)COc2ccccc2C)c1OC ZINC000036097304 569090348 /nfs/dbraw/zinc/09/03/48/569090348.db2.gz ALYZNTDKURYIGJ-NRFANRHFSA-N 0 3 401.547 4.300 50 0 HIAAHN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc2c(c1)OCO2)NCCN1CCCCC1 ZINC000006704572 569094536 /nfs/dbraw/zinc/09/45/36/569094536.db2.gz HTQTZBLQPJBDLX-HXUWFJFHSA-N 0 3 419.525 4.021 50 0 HIAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@@H](C)O ZINC000036305554 569129510 /nfs/dbraw/zinc/12/95/10/569129510.db2.gz VLTOPQZICCZKLI-GOSISDBHSA-N 0 3 409.530 4.481 50 0 HIAAHN CSc1ccc(Cl)c(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000036389943 569165618 /nfs/dbraw/zinc/16/56/18/569165618.db2.gz OVTRDPWFOIPCMU-NRFANRHFSA-N 0 3 418.006 4.171 50 0 HIAAHN C=Cc1ccc(CN2CCCN(c3ncccc3-c3nc(C4CC4)no3)CC2)cc1 ZINC000065257944 569209902 /nfs/dbraw/zinc/20/99/02/569209902.db2.gz LPHSSBDWMYPOMS-UHFFFAOYSA-N 0 3 401.514 4.364 50 0 HIAAHN CCOc1cc(CNCCc2nc(C)oc2C)ccc1OCC(=O)Nc1ccccc1 ZINC000089990995 569271175 /nfs/dbraw/zinc/27/11/75/569271175.db2.gz FUTWILJCFYFPKB-UHFFFAOYSA-N 0 3 423.513 4.040 50 0 HIAAHN C[C@H]1C[C@@H](NC(=O)COc2ccc(C(F)(F)F)cc2)CCN1Cc1ccccc1 ZINC000170654899 569295463 /nfs/dbraw/zinc/29/54/63/569295463.db2.gz QEGOEQSOVOAAGH-LPHOPBHVSA-N 0 3 406.448 4.254 50 0 HIAAHN CCN(CC)CCNc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCCC3 ZINC000002229846 569317579 /nfs/dbraw/zinc/31/75/79/569317579.db2.gz YJMHNJAFONBEDT-UHFFFAOYSA-N 0 3 414.575 4.122 50 0 HIAAHN CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000002406330 569396158 /nfs/dbraw/zinc/39/61/58/569396158.db2.gz NKFMFZZSSQJCJO-QFIPXVFZSA-N 0 3 404.510 4.413 50 0 HIAAHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@H]3C2=O)c(C)c1 ZINC000245310410 571224106 /nfs/dbraw/zinc/22/41/06/571224106.db2.gz JCBOXEYMRLXMJU-YMPZKCBVSA-N 0 3 413.477 4.058 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(O)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000009332638 571248887 /nfs/dbraw/zinc/24/88/87/571248887.db2.gz YVHMGXOOHASBAF-NJDAHSKKSA-N 0 3 420.852 4.097 50 0 HIAAHN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3cccs3)CC2)c1 ZINC000012716017 845885385 /nfs/dbraw/zinc/88/53/85/845885385.db2.gz XUSAQTJECLCXHC-UHFFFAOYSA-N 0 3 400.544 4.036 50 0 HIAAHN Cc1ccc(CN2CC[C@H](Oc3ccccc3-c3nc(-c4ccncc4)no3)C2)o1 ZINC000575314374 948642078 /nfs/dbraw/zinc/64/20/78/948642078.db2.gz JEJWVPWDXRIPSF-IBGZPJMESA-N 0 3 402.454 4.353 50 0 HIAAHN Cc1ccc(CN2CC[C@@H](Oc3ccccc3-c3nc(C4CCOCC4)no3)C2)o1 ZINC000575314287 948642374 /nfs/dbraw/zinc/64/23/74/948642374.db2.gz JGVIHUAKDPICRQ-LJQANCHMSA-N 0 3 409.486 4.185 50 0 HIAAHN CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(O)cc6)nc5c4)nc3c2)CC1 ZINC000000642589 132229740 /nfs/dbraw/zinc/22/97/40/132229740.db2.gz INAAIJLSXJJHOZ-UHFFFAOYSA-N 0 3 424.508 4.231 50 0 in-vivo HIAAHN CN1CCN(c2ccc3[nH]c(-c4ccc5nc(-c6ccc(O)cc6)[nH]c5c4)nc3c2)CC1 ZINC000000642589 132229742 /nfs/dbraw/zinc/22/97/42/132229742.db2.gz INAAIJLSXJJHOZ-UHFFFAOYSA-N 0 3 424.508 4.231 50 0 in-vivo HIAAHN CN(C)CCNc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 ZINC000002233315 132249983 /nfs/dbraw/zinc/24/99/83/132249983.db2.gz DDHSWYMREYWWRL-UHFFFAOYSA-N 0 3 410.591 4.082 50 0 HIAAHN CC[C@H]1CN(CC(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc2S1 ZINC000033059348 132501808 /nfs/dbraw/zinc/50/18/08/132501808.db2.gz NVKNLBZDMSLTNW-NRFANRHFSA-N 0 3 409.599 4.158 50 0 HIAAHN CC1CCN([C@@H](CNC(=O)c2ccc3c(c2)OCCCO3)c2cccs2)CC1 ZINC000032716670 521034293 /nfs/dbraw/zinc/03/42/93/521034293.db2.gz PSYFDVKTDPDOMT-SFHVURJKSA-N 0 3 400.544 4.112 50 0 HIAAHN COc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1OC1CCCC1 ZINC000045676562 522102258 /nfs/dbraw/zinc/10/22/58/522102258.db2.gz APXLITDZSQAKDD-UHFFFAOYSA-N 0 3 408.542 4.411 50 0 HIAAHN COc1cc(CNC[C@H](c2cccs2)N2CCC(C)CC2)cc2c1OCCO2 ZINC000025361790 522462251 /nfs/dbraw/zinc/46/22/51/522462251.db2.gz FTOZAZFPDIGTIZ-GOSISDBHSA-N 0 3 402.560 4.091 50 0 HIAAHN Cc1ccc(NC(=O)COc2ccc(Cl)cc2CNCCCn2ccnc2)cc1 ZINC000040719840 525068733 /nfs/dbraw/zinc/06/87/33/525068733.db2.gz FWZNYUSSMVPGLR-UHFFFAOYSA-N 0 3 412.921 4.042 50 0 HIAAHN Cc1ccccc1COc1ccc2ccccc2c1CNCCSc1nnnn1C ZINC000040744731 525175561 /nfs/dbraw/zinc/17/55/61/525175561.db2.gz LOGGMZJDNAHHMZ-UHFFFAOYSA-N 0 3 419.554 4.133 50 0 HIAAHN Cc1ccccc1Cn1c(CN2CCC(C(=O)NC3CC3)CC2)cc2ccccc21 ZINC000045301938 525209764 /nfs/dbraw/zinc/20/97/64/525209764.db2.gz ROIFGRRGAUQFGT-UHFFFAOYSA-N 0 3 401.554 4.489 50 0 HIAAHN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCN2CCCCC2)cc1 ZINC000032974913 525839161 /nfs/dbraw/zinc/83/91/61/525839161.db2.gz RWGALOIQHSYVTL-UHFFFAOYSA-N 0 3 416.569 4.382 50 0 HIAAHN CSc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000032622745 526064471 /nfs/dbraw/zinc/06/44/71/526064471.db2.gz QSFPDNQEHQDKEI-HXUWFJFHSA-N 0 3 408.523 4.012 50 0 HIAAHN Clc1cccc(COc2ccc(Cl)cc2CNCCCN2CCOCC2)c1 ZINC000040720682 526977926 /nfs/dbraw/zinc/97/79/26/526977926.db2.gz QIDDSUBNAHKFTM-UHFFFAOYSA-N 0 3 409.357 4.384 50 0 HIAAHN O=C(COc1ccc(Br)cc1)Nc1ccc(CN2CCCCC2)cc1 ZINC000000724919 557072746 /nfs/dbraw/zinc/07/27/46/557072746.db2.gz SRAXIHWXKSTFIF-UHFFFAOYSA-N 0 3 403.320 4.453 50 0 HIAAHN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccccc2F)s1 ZINC000002428826 557346671 /nfs/dbraw/zinc/34/66/71/557346671.db2.gz QUOLPLBYEBRCRH-GOSISDBHSA-N 0 3 421.453 4.404 50 0 HIAAHN O=C(NCc1ccco1)[C@H]1C[C@@H](c2ccccc2)CN(Cc2ccc(F)c(F)c2)C1 ZINC000034711116 557390389 /nfs/dbraw/zinc/39/03/89/557390389.db2.gz TYWRGVINWJOEPF-UXHICEINSA-N 0 3 410.464 4.480 50 0 HIAAHN O=C(NCc1ccco1)[C@@H]1C[C@H](c2ccccc2)CN(Cc2ccc(F)c(F)c2)C1 ZINC000034711119 557390507 /nfs/dbraw/zinc/39/05/07/557390507.db2.gz TYWRGVINWJOEPF-VQTJNVASSA-N 0 3 410.464 4.480 50 0 HIAAHN CC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC[C@@H](O)CN3CCCCC3)cc21 ZINC000002979199 557434668 /nfs/dbraw/zinc/43/46/68/557434668.db2.gz ZWJOSWADMBBFKV-NRFANRHFSA-N 0 3 406.526 4.367 50 0 HIAAHN CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000002890330 557770239 /nfs/dbraw/zinc/77/02/39/557770239.db2.gz WABSAQLJPRHBPM-LJQANCHMSA-N 0 3 414.864 4.082 50 0 HIAAHN CCOc1c(Cl)cc(CNCCSc2nnnn2-c2ccccc2)cc1Cl ZINC000010475414 558258231 /nfs/dbraw/zinc/25/82/31/558258231.db2.gz IJLZTNCMMVBMNL-UHFFFAOYSA-N 0 3 424.357 4.250 50 0 HIAAHN COc1cccc(CCC(=O)N(C)CC2CCN(CCc3ccccc3OC)CC2)c1 ZINC000011699001 558270265 /nfs/dbraw/zinc/27/02/65/558270265.db2.gz ZLJXKFFHSINKMF-UHFFFAOYSA-N 0 3 424.585 4.050 50 0 HIAAHN COc1ccc(CN2CCC3(C[C@H]3C(=O)NCCCc3ccccc3)CC2)cc1OC ZINC000011782282 558274867 /nfs/dbraw/zinc/27/48/67/558274867.db2.gz UFXGDCNBPKOKTK-QFIPXVFZSA-N 0 3 422.569 4.055 50 0 HIAAHN C/C(=C\c1ccccc1)CN1CCC(n2nccc2NC(=O)c2cccnc2)CC1 ZINC000011816636 558280120 /nfs/dbraw/zinc/28/01/20/558280120.db2.gz MBYNPEDFPLCXQT-KNTRCKAVSA-N 0 3 401.514 4.271 50 0 HIAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CCc2ccc(F)cc2)C1 ZINC000011879936 558294462 /nfs/dbraw/zinc/29/44/62/558294462.db2.gz ZXXMAQOPOCLYAZ-OAQYLSRUSA-N 0 3 412.549 4.180 50 0 HIAAHN Cc1cc(C)n(CCNCc2cc3cc4c(cc3nc2-c2ccc(F)cc2)OCO4)n1 ZINC000012048394 558313568 /nfs/dbraw/zinc/31/35/68/558313568.db2.gz GQCXRNZEYAGSGB-UHFFFAOYSA-N 0 3 418.472 4.373 50 0 HIAAHN Cc1ccc(CN2CCC(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)CC2)cc1 ZINC000020102886 558332401 /nfs/dbraw/zinc/33/24/01/558332401.db2.gz AMSNJSJODKOOEF-VMPITWQZSA-N 0 3 417.597 4.065 50 0 HIAAHN Fc1ccc(-n2cccn2)c(CN[C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)c1 ZINC000020202196 558345958 /nfs/dbraw/zinc/34/59/58/558345958.db2.gz IIXBCEDWBSCOIC-GOSISDBHSA-N 0 3 419.426 4.184 50 0 HIAAHN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3cc(C)c(OC)cc3C)C2)CC1 ZINC000020233310 558350455 /nfs/dbraw/zinc/35/04/55/558350455.db2.gz RSMBRCQRAMTPBN-HSZRJFAPSA-N 0 3 423.601 4.107 50 0 HIAAHN COc1ccccc1CCNC(=O)[C@@H]1CC12CCN(Cc1cc(C)cc(C)c1)CC2 ZINC000012211352 558354085 /nfs/dbraw/zinc/35/40/85/558354085.db2.gz AAEVGUYFIUKOIH-QHCPKHFHSA-N 0 3 406.570 4.273 50 0 HIAAHN CSCCCNCc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000012302139 558371757 /nfs/dbraw/zinc/37/17/57/558371757.db2.gz WXGVKYVKPYEINA-UHFFFAOYSA-N 0 3 408.999 4.237 50 0 HIAAHN COc1ccccc1/C=C/CN1CCC[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000012306047 558375006 /nfs/dbraw/zinc/37/50/06/558375006.db2.gz LBNYBVCBFIWGGN-XBGMYJNYSA-N 0 3 416.525 4.449 50 0 HIAAHN COCCNC(=O)c1cccc(OC2CCN(C/C(C)=C/c3ccccc3)CC2)c1 ZINC000012373022 558390671 /nfs/dbraw/zinc/39/06/71/558390671.db2.gz YODKBZPGTCKUJN-LVZFUZTISA-N 0 3 408.542 4.010 50 0 HIAAHN Cc1cccc(C(=O)N(C)CC2CCN(CCc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000012439546 558411088 /nfs/dbraw/zinc/41/10/88/558411088.db2.gz NQQSGISZQBPQHD-UHFFFAOYSA-N 0 3 419.491 4.436 50 0 HIAAHN O=C(c1ccc(OC2CCN(Cc3c[nH]c4ccccc34)CC2)cc1)N1CCCC1 ZINC000012453252 558416335 /nfs/dbraw/zinc/41/63/35/558416335.db2.gz QEGAPPCUUQJEPT-UHFFFAOYSA-N 0 3 403.526 4.447 50 0 HIAAHN O=C(Cc1ccccc1)Nc1ccnn1C1CCN(C/C=C/c2ccccc2)CC1 ZINC000012575317 558430612 /nfs/dbraw/zinc/43/06/12/558430612.db2.gz CMQQSRBELGMVKH-KPKJPENVSA-N 0 3 400.526 4.415 50 0 HIAAHN O=S(=O)(Cc1ccccc1)NC[C@@H]1CCCN(Cc2ccccc2-c2ccco2)C1 ZINC000012748796 558458812 /nfs/dbraw/zinc/45/88/12/558458812.db2.gz VLXFPBKFDJXSQX-NRFANRHFSA-N 0 3 424.566 4.278 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccccc1 ZINC000013511610 558535653 /nfs/dbraw/zinc/53/56/53/558535653.db2.gz UZEJVECWEUQYJT-QHAWAJNXSA-N 0 3 404.853 4.391 50 0 HIAAHN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CNC[C@]1(c2ccccc2)CC1(C)C ZINC000023128617 558536333 /nfs/dbraw/zinc/53/63/33/558536333.db2.gz HACPLZFFGBVWHX-QHCPKHFHSA-N 0 3 410.949 4.147 50 0 HIAAHN CC(=O)c1ccc(C(=O)NCC2(N(C)Cc3ccccc3)Cc3ccccc3C2)cc1 ZINC000023129325 558536944 /nfs/dbraw/zinc/53/69/44/558536944.db2.gz NUZJYCGQBNLFEP-UHFFFAOYSA-N 0 3 412.533 4.289 50 0 HIAAHN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000024928083 558621159 /nfs/dbraw/zinc/62/11/59/558621159.db2.gz HVXAWMUFCZZSCF-FQEVSTJZSA-N 0 3 409.917 4.318 50 0 HIAAHN CN1CCC2(CC1)C[C@H](NC(=O)CCc1nc3ccccc3s1)c1ccccc1O2 ZINC000014240662 558643491 /nfs/dbraw/zinc/64/34/91/558643491.db2.gz AVSKLOQMUWJPJU-IBGZPJMESA-N 0 3 421.566 4.333 50 0 HIAAHN C[C@@H](NCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccs1 ZINC000014242561 558645121 /nfs/dbraw/zinc/64/51/21/558645121.db2.gz AEPLNOSEDSRMRQ-HXUWFJFHSA-N 0 3 419.594 4.333 50 0 HIAAHN CSc1ncc(Cl)c(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N(C)C)n1 ZINC000028290517 558696713 /nfs/dbraw/zinc/69/67/13/558696713.db2.gz JTXKRWUXWHPPII-INIZCTEOSA-N 0 3 406.983 4.182 50 0 HIAAHN CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2ccccc2C)CC1)c1ccccc1 ZINC000015065486 558708347 /nfs/dbraw/zinc/70/83/47/558708347.db2.gz NOMIXZPVTFRSFA-XMMPIXPASA-N 0 3 418.541 4.355 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)CSc3ccc4c(c3)CCC4)c(C)c2)CC1 ZINC000029375533 558714435 /nfs/dbraw/zinc/71/44/35/558714435.db2.gz MLTVRWPQYKBTTI-UHFFFAOYSA-N 0 3 409.599 4.356 50 0 HIAAHN CCN(Cc1ccc(S(C)(=O)=O)c(OC)c1)[C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000072304908 558756688 /nfs/dbraw/zinc/75/66/88/558756688.db2.gz UMDFJSYHTNSUKY-NRFANRHFSA-N 0 3 401.572 4.250 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)c3c4c(nc5ccccc53)CCC4)c(C)c2)CC1 ZINC000032978536 558803522 /nfs/dbraw/zinc/80/35/22/558803522.db2.gz GHUXNCFIKIUWHJ-UHFFFAOYSA-N 0 3 414.553 4.426 50 0 HIAAHN Cc1nccn1CCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2 ZINC000019301053 558866531 /nfs/dbraw/zinc/86/65/31/558866531.db2.gz ZFDCVTKHWPRCNB-RUZDIDTESA-N 0 3 408.590 4.220 50 0 HIAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccnc1Cl ZINC000057541600 558889247 /nfs/dbraw/zinc/88/92/47/558889247.db2.gz LJMKKRFGBYTJTH-UHFFFAOYSA-N 0 3 406.917 4.310 50 0 HIAAHN C[C@]12C(=O)N(c3ccc(F)cc3)C(=O)C1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000004693735 558903972 /nfs/dbraw/zinc/90/39/72/558903972.db2.gz GBTGNQFSCNVAKQ-PQNGQFLHSA-N 0 3 402.425 4.267 50 0 HIAAHN C[C@@](O)(CN1CCC(NC(=O)Nc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000058297881 558917595 /nfs/dbraw/zinc/91/75/95/558917595.db2.gz ITMCSRBCSUKRDP-OAQYLSRUSA-N 0 3 421.463 4.199 50 0 HIAAHN CCN(CC)[C@@H](CNC(=O)Cn1c(CSC)nc2ccccc21)c1ccsc1 ZINC000058954634 558931046 /nfs/dbraw/zinc/93/10/46/558931046.db2.gz MXZNEYFAHIQWCD-IBGZPJMESA-N 0 3 416.616 4.160 50 0 HIAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916011 558972073 /nfs/dbraw/zinc/97/20/73/558972073.db2.gz VRGVPCPFKVXJCS-QFIPXVFZSA-N 0 3 420.557 4.276 50 0 HIAAHN COc1ccc(-n2cc(CN(C)[C@H]3CCN(C)C3)c(-c3ccccc3Cl)n2)cc1 ZINC000072421604 558978442 /nfs/dbraw/zinc/97/84/42/558978442.db2.gz SCJLOJJFXXNAEU-IBGZPJMESA-N 0 3 410.949 4.337 50 0 HIAAHN Cc1c(C(=O)N2CCC[C@@H]2[C@H]2CCCN2Cc2ccccc2)[nH]c2c1C(=O)CCC2 ZINC000065576170 558979623 /nfs/dbraw/zinc/97/96/23/558979623.db2.gz PNZHAWYWOLWYAC-NHCUHLMSSA-N 0 3 405.542 4.111 50 0 HIAAHN COc1ccc(/C=C/CN2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000095352894 559079751 /nfs/dbraw/zinc/07/97/51/559079751.db2.gz KVOKXDREDVNLAG-GGXQVSFTSA-N 0 3 405.586 4.303 50 0 HIAAHN O=C(c1ccc2ncccc2c1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095508589 559083497 /nfs/dbraw/zinc/08/34/97/559083497.db2.gz WTLFGDCNSGLGMJ-QPTUXGOLSA-N 0 3 401.485 4.076 50 0 HIAAHN CCOc1cc(CNCCc2nc3ccccc3[nH]2)cc(Br)c1OCC ZINC000113399146 559180490 /nfs/dbraw/zinc/18/04/90/559180490.db2.gz NJCWQWFKVBKMRH-UHFFFAOYSA-N 0 3 418.335 4.455 50 0 HIAAHN CCN(CC(=O)N[C@@H](C)c1cccs1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000252548777 559278501 /nfs/dbraw/zinc/27/85/01/559278501.db2.gz QKQJGCGHXVYPIF-DLBZAZTESA-N 0 3 409.596 4.037 50 0 HIAAHN CCOC(=O)C1(CCc2ccccc2)CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000012297712 560211503 /nfs/dbraw/zinc/21/15/03/560211503.db2.gz VUXRYYSKTWDPLO-UHFFFAOYSA-N 0 3 408.542 4.423 50 0 in-vitro HIAAHN Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3C2c2ccccn2)no1 ZINC000005323261 560568746 /nfs/dbraw/zinc/56/87/46/560568746.db2.gz YISYHTBDSOMRER-GOSISDBHSA-N 0 3 407.813 4.196 50 0 HIAAHN CC1=C2C[C@@H]3[C@H](CN4CCN(c5ccc(F)cc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000061997009 560568909 /nfs/dbraw/zinc/56/89/09/560568909.db2.gz HVWGZKYGLNJPGC-SWXWDQRWSA-N 0 3 412.549 4.406 50 0 HIAAHN CN(C)CCCn1cnc2c(c1=N)[C@H](c1ccco1)c1ccc3ccccc3c1O2 ZINC000005348929 560571062 /nfs/dbraw/zinc/57/10/62/560571062.db2.gz XKRPATCITJLXKG-FQEVSTJZSA-N 0 3 400.482 4.346 50 0 HIAAHN O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1ccccc1 ZINC000169689619 560765620 /nfs/dbraw/zinc/76/56/20/560765620.db2.gz HBUUSADWLVKENE-GBESFXJTSA-N 0 3 410.882 4.453 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)c(C)c1 ZINC000102708464 560820820 /nfs/dbraw/zinc/82/08/20/560820820.db2.gz LKAMQFQKVLEIFI-RJGXRXQPSA-N 0 3 414.461 4.060 50 0 HIAAHN Cc1nn(-c2ccc(F)cc2F)c2c1C(C(=O)c1ccc(Cl)cc1)CC(=O)N2 ZINC000046057133 568426106 /nfs/dbraw/zinc/42/61/06/568426106.db2.gz PJSFZDGGKLCVKC-AWEZNQCLSA-N 0 3 401.800 4.421 50 0 HIAAHN COc1cccc(OC)c1C(=O)C1CC(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000046057925 568426376 /nfs/dbraw/zinc/42/63/76/568426376.db2.gz MDZWWZDJGDBEKW-CYBMUJFWSA-N 0 3 411.845 4.056 50 0 HIAAHN CCOc1ccc(OCC)c(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c1 ZINC000048355084 568441357 /nfs/dbraw/zinc/44/13/57/568441357.db2.gz SBKJKINXEHTXTR-UHFFFAOYSA-N 0 3 411.546 4.267 50 0 HIAAHN COc1ccc(CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1OC ZINC000030988840 568501669 /nfs/dbraw/zinc/50/16/69/568501669.db2.gz MVVXZWSJDNRDLY-GOSISDBHSA-N 0 3 417.575 4.038 50 0 HIAAHN CC[C@@H]1CN(CC(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc2S1 ZINC000033059347 568510961 /nfs/dbraw/zinc/51/09/61/568510961.db2.gz NVKNLBZDMSLTNW-OAQYLSRUSA-N 0 3 409.599 4.158 50 0 HIAAHN C[C@H](c1ccccc1)N1CCC(NC(=O)COc2ccc(Br)cc2)CC1 ZINC000095397783 568604632 /nfs/dbraw/zinc/60/46/32/568604632.db2.gz STUZMMPVEPMLFH-MRXNPFEDSA-N 0 3 417.347 4.170 50 0 HIAAHN CCC(CC)(CO)NC(=O)Nc1ccc(CN(C[C@H]2CCCCO2)C(C)C)cc1 ZINC000095460777 568620470 /nfs/dbraw/zinc/62/04/70/568620470.db2.gz CRWPOLCDISRXPX-OAQYLSRUSA-N 0 3 405.583 4.139 50 0 HIAAHN C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000095945472 568663552 /nfs/dbraw/zinc/66/35/52/568663552.db2.gz OVCPNPRBEQLVDK-GHTZIAJQSA-N 0 3 402.583 4.028 50 0 HIAAHN C[C@H]1CN(Cc2ccccc2CNCc2cc(Br)cs2)C[C@H](C)O1 ZINC000095951440 568667775 /nfs/dbraw/zinc/66/77/75/568667775.db2.gz OKBCEXKKDKQCEQ-GJZGRUSLSA-N 0 3 409.393 4.410 50 0 HIAAHN C[C@H]1CCCCN1CCNC(=O)CSc1ncnc2c1sc1cccc(F)c12 ZINC000021153448 568672762 /nfs/dbraw/zinc/67/27/62/568672762.db2.gz PWRMGHUYTDUMMX-ZDUSSCGKSA-N 0 3 418.563 4.066 50 0 HIAAHN Cc1ccc(CN2CC[C@H](CNC(=O)Nc3ccc(Br)cc3)C2)cc1 ZINC000021175432 568676960 /nfs/dbraw/zinc/67/69/60/568676960.db2.gz NXXXZUNAABPZSL-QGZVFWFLSA-N 0 3 402.336 4.401 50 0 HIAAHN Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000229882865 568715685 /nfs/dbraw/zinc/71/56/85/568715685.db2.gz JKBFEHQBJALXIB-BHDDXSALSA-N 0 3 402.425 4.185 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000229882865 568715688 /nfs/dbraw/zinc/71/56/88/568715688.db2.gz JKBFEHQBJALXIB-BHDDXSALSA-N 0 3 402.425 4.185 50 0 HIAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)c1 ZINC000229992665 568716596 /nfs/dbraw/zinc/71/65/96/568716596.db2.gz FCFTXJGUUHNPLC-BHDDXSALSA-N 0 3 402.425 4.185 50 0 HIAAHN OCCCCNCc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000247759102 568745564 /nfs/dbraw/zinc/74/55/64/568745564.db2.gz GCPGFNRITKXGFN-UHFFFAOYSA-N 0 3 405.329 4.162 50 0 HIAAHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000056866348 568820005 /nfs/dbraw/zinc/82/00/05/568820005.db2.gz GHBWITJMAJYYHP-HNNXBMFYSA-N 0 3 409.452 4.262 50 0 HIAAHN Clc1ccc(Cn2nc(CNCCCn3ccnc3)c(-c3ccccc3)n2)cc1 ZINC000261492189 568820408 /nfs/dbraw/zinc/82/04/08/568820408.db2.gz UAMFFROCMRDZDF-UHFFFAOYSA-N 0 3 406.921 4.023 50 0 HIAAHN Fc1ccccc1Cn1nc(CNCCCOc2ccccn2)c(-c2ccccc2)n1 ZINC000261492555 568820463 /nfs/dbraw/zinc/82/04/63/568820463.db2.gz IOEYRWZYZLWLKA-UHFFFAOYSA-N 0 3 417.488 4.086 50 0 HIAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1 ZINC000003049140 568849793 /nfs/dbraw/zinc/84/97/93/568849793.db2.gz RNGNAUSXKRUDAO-IBGZPJMESA-N 0 3 411.571 4.319 50 0 HIAAHN CCCCN(C)CCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000003053996 568851632 /nfs/dbraw/zinc/85/16/32/568851632.db2.gz ZAPFGTYMNZGNPR-LTGZKZEYSA-N 0 3 409.555 4.234 50 0 HIAAHN CCN1CCN(Cc2ccc(CNC(=O)/C=C(/C)CCc3ccccc3)cc2)CC1 ZINC000058194027 568898957 /nfs/dbraw/zinc/89/89/57/568898957.db2.gz GSPWLLUUZXGQEL-QOCHGBHMSA-N 0 3 405.586 4.019 50 0 HIAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)c2ccc(CN3CCC(C)CC3)o2)C1 ZINC000670455445 568930666 /nfs/dbraw/zinc/93/06/66/568930666.db2.gz WBVTWGCWNFSJLJ-NRFANRHFSA-N 0 3 409.574 4.039 50 0 HIAAHN O=C(NC[C@@H](c1ccccc1)N1CCCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000670459599 568946196 /nfs/dbraw/zinc/94/61/96/568946196.db2.gz CFGKCZFEZMHNPK-DEOSSOPVSA-N 0 3 402.542 4.279 50 0 HIAAHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1nnc(SCc2cccs2)s1 ZINC000084678432 568955498 /nfs/dbraw/zinc/95/54/98/568955498.db2.gz RCBZXYTZXNYZPC-IINYFYTJSA-N 0 3 405.526 4.059 50 0 HIAAHN CCCCN(CC(=O)NCc1cccc(C(=O)NC2CC2)c1)[C@@H](CC)c1ccccc1 ZINC000084744379 568957916 /nfs/dbraw/zinc/95/79/16/568957916.db2.gz JZXVSBCOXJJPAR-DEOSSOPVSA-N 0 3 421.585 4.448 50 0 HIAAHN Cc1oc(-c2ccc(C(=O)NCCN3CCCC3)cc2)nc1COc1ccccc1 ZINC000015682086 568968564 /nfs/dbraw/zinc/96/85/64/568968564.db2.gz LNYZFAPTHJJSHZ-UHFFFAOYSA-N 0 3 405.498 4.055 50 0 HIAAHN CCc1cccc(-n2nc(C)c3c2NC(=O)CC3C(=O)c2c(OC)cccc2OC)c1 ZINC000035170914 569002164 /nfs/dbraw/zinc/00/21/64/569002164.db2.gz NOVQDMNLYLKISC-QGZVFWFLSA-N 0 3 419.481 4.069 50 0 HIAAHN C[C@@H](N[C@@H](C)c1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012918854 569022745 /nfs/dbraw/zinc/02/27/45/569022745.db2.gz FHHRRKLWAQTGMQ-ZWKOTPCHSA-N 0 3 402.494 4.438 50 0 HIAAHN CCCCCN(CCCCC)C[C@@H](C)NC(=O)CCS(=O)(=O)c1ccccc1 ZINC000006264151 569036159 /nfs/dbraw/zinc/03/61/59/569036159.db2.gz ZTDZZTLCWKCSGX-HXUWFJFHSA-N 0 3 410.624 4.038 50 0 HIAAHN C[C@H]1CCCCN1CCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 ZINC000035560165 569044917 /nfs/dbraw/zinc/04/49/17/569044917.db2.gz PXCPWPGZKSHZBQ-KRWDZBQOSA-N 0 3 410.949 4.342 50 0 HIAAHN Cc1oc2c(c1C(=O)N1CC[C@]3(C1)CCCN(CCc1ccccc1)C3)C(=O)CCC2 ZINC000426368151 569072547 /nfs/dbraw/zinc/07/25/47/569072547.db2.gz BDIBNPNRMUGWMJ-AREMUKBSSA-N 0 3 420.553 4.278 50 0 HIAAHN COc1cc(CN(CCC(C)C)C[C@@H](O)COCc2ccccc2)cc(OC)c1 ZINC000036095133 569089889 /nfs/dbraw/zinc/08/98/89/569089889.db2.gz CRFOXPNYENHTMW-JOCHJYFZSA-N 0 3 401.547 4.130 50 0 HIAAHN CC(C)CC(=O)N(Cc1ccccc1F)C[C@@H]1CC(c2ccc(N(C)C)cc2)=NO1 ZINC000006695641 569091603 /nfs/dbraw/zinc/09/16/03/569091603.db2.gz BITYTUYNHJJVBM-NRFANRHFSA-N 0 3 411.521 4.460 50 0 HIAAHN Cc1ccccc1CN(Cc1ccc2c(c1)OCO2)C[C@H](O)COc1ccccc1 ZINC000036104591 569092561 /nfs/dbraw/zinc/09/25/61/569092561.db2.gz OHYUMLHDTMRCHL-QFIPXVFZSA-N 0 3 405.494 4.166 50 0 HIAAHN CN(CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2c(c1)OCO2)C1CCCCC1 ZINC000036344429 569142673 /nfs/dbraw/zinc/14/26/73/569142673.db2.gz URIWXZIOQSDGQX-JOCHJYFZSA-N 0 3 419.525 4.358 50 0 HIAAHN Cn1cc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)c2cc(Cl)ccc21 ZINC000065060071 569163876 /nfs/dbraw/zinc/16/38/76/569163876.db2.gz ZUSRFWVDCSYYQI-UHFFFAOYSA-N 0 3 413.924 4.499 50 0 HIAAHN CCOC(=O)c1ccc(NC(=O)N2CCC[C@H](CN3CCc4ccccc4C3)C2)cc1 ZINC000006877399 569164269 /nfs/dbraw/zinc/16/42/69/569164269.db2.gz GJCGQHRRHPIOEC-LJQANCHMSA-N 0 3 421.541 4.166 50 0 HIAAHN Cc1c(C)n(C)c2ccc(C(=O)NCCN3CCC(Cc4ccccc4)CC3)cc12 ZINC000006912113 569179031 /nfs/dbraw/zinc/17/90/31/569179031.db2.gz KNBZDIGEYVTVIL-UHFFFAOYSA-N 0 3 403.570 4.480 50 0 HIAAHN CCCN1CCN(c2ccc(NC(=O)c3ccc(OC)cc3F)c(OCC)c2)CC1 ZINC000170606076 569244330 /nfs/dbraw/zinc/24/43/30/569244330.db2.gz NMVNJIHTHDFXSN-UHFFFAOYSA-N 0 3 415.509 4.017 50 0 HIAAHN Cc1cc(N(C)C)ccc1NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000170614577 569247125 /nfs/dbraw/zinc/24/71/25/569247125.db2.gz ZMFPORHBLOOTLD-MOPGFXCFSA-N 0 3 405.464 4.310 50 0 HIAAHN CC(C)N1CC[C@@H](NCCS(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000170616752 569247673 /nfs/dbraw/zinc/24/76/73/569247673.db2.gz LFSRMIGYHJCRRK-RTWAWAEBSA-N 0 3 424.969 4.066 50 0 HIAAHN CC(C)N1CC[C@H](NCCS(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000170616751 569247680 /nfs/dbraw/zinc/24/76/80/569247680.db2.gz LFSRMIGYHJCRRK-SFTDATJTSA-N 0 3 424.969 4.066 50 0 HIAAHN CC(C)N(Cc1nc(-c2ccc(Br)s2)no1)[C@H]1CCCC[C@@H]1O ZINC000089869659 569267612 /nfs/dbraw/zinc/26/76/12/569267612.db2.gz IXSQVEZGBODXMZ-RYUDHWBXSA-N 0 3 400.342 4.075 50 0 HIAAHN CN1CCCN(c2ccc(NC(=O)N3CCC[C@H]3c3ccsc3)cc2F)CC1 ZINC000252452493 569286311 /nfs/dbraw/zinc/28/63/11/569286311.db2.gz LPCNGWRYTYYOKE-IBGZPJMESA-N 0 3 402.539 4.398 50 0 HIAAHN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000195529531 569311979 /nfs/dbraw/zinc/31/19/79/569311979.db2.gz CFBVYNNDKVJNOH-RBSFLKMASA-N 0 3 406.933 4.069 50 0 HIAAHN CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000002234987 569321347 /nfs/dbraw/zinc/32/13/47/569321347.db2.gz XSRQIMOQWLNYJS-QFIPXVFZSA-N 0 3 420.509 4.079 50 0 HIAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@]3(C)C2=O)cc1 ZINC000002311767 569373889 /nfs/dbraw/zinc/37/38/89/569373889.db2.gz RAYDPGXMQUXRBR-HWBMXIPRSA-N 0 3 414.461 4.136 50 0 HIAAHN Cc1ccc(-c2nnc(CCC(=O)NCc3ccccc3CN3CCCCC3)o2)cc1 ZINC000007941530 569401879 /nfs/dbraw/zinc/40/18/79/569401879.db2.gz PAGFOGKTTGIDJD-UHFFFAOYSA-N 0 3 418.541 4.280 50 0 HIAAHN CCCN(CC(=O)Nc1cc(OC)ccc1OC)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000078869637 569420972 /nfs/dbraw/zinc/42/09/72/569420972.db2.gz SVAXMYVZZXPGMK-RTWAWAEBSA-N 0 3 404.551 4.092 50 0 HIAAHN O=C(C1COc2ccccc2O1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 ZINC000008601617 571090271 /nfs/dbraw/zinc/09/02/71/571090271.db2.gz PXGYERILMYEVKU-LJQANCHMSA-N 0 3 421.453 4.204 50 0 HIAAHN COc1ccc([C@@H](CNC(=O)c2cccc(NC(=O)c3cccs3)c2)N(C)C)cc1 ZINC000008748373 571111499 /nfs/dbraw/zinc/11/14/99/571111499.db2.gz HVVQRMVNQIOSBC-HXUWFJFHSA-N 0 3 423.538 4.042 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)c(C)c2)CC1 ZINC000040119555 571175544 /nfs/dbraw/zinc/17/55/44/571175544.db2.gz XKCFDIQPVFYKDK-UHFFFAOYSA-N 0 3 421.570 4.238 50 0 HIAAHN Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N(C)C)cc1Cl ZINC000010333799 571300661 /nfs/dbraw/zinc/30/06/61/571300661.db2.gz JUQDBDDXSZBIDT-OAQYLSRUSA-N 0 3 409.917 4.159 50 0 HIAAHN O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3ccc4c(c3)OCCO4)N3CCC[C@@]123 ZINC000012313870 845867079 /nfs/dbraw/zinc/86/70/79/845867079.db2.gz JOJUGLXKHAXDGC-WXVUKLJWSA-N 0 3 424.928 4.049 50 0 HIAAHN O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCCN(Cc2ccc3nonc3c2)C1 ZINC000015065142 846005682 /nfs/dbraw/zinc/00/56/82/846005682.db2.gz MQSDNDHMYKOEQT-SFHVURJKSA-N 0 3 402.454 4.334 50 0 HIAAHN COCCN1CCC2(CC1)CN(Cc1cc(Cl)ccc1F)Cc1ccccc1O2 ZINC000257185620 854233642 /nfs/dbraw/zinc/23/36/42/854233642.db2.gz JRJLRVMJQQSDTQ-UHFFFAOYSA-N 0 3 418.940 4.355 50 0 HIAAHN c1ccc(-c2noc(C[C@H]3CCOC4(CCN(Cc5cccnc5)CC4)C3)n2)cc1 ZINC000257196397 854235635 /nfs/dbraw/zinc/23/56/35/854235635.db2.gz YDSMCQHYOBLZRD-LJQANCHMSA-N 0 3 404.514 4.136 50 0 HIAAHN Cc1ccc(CN2CCC3(CC2)C[C@@H](Cc2nc(-c4ccncc4)no2)CCO3)o1 ZINC000575544599 948676653 /nfs/dbraw/zinc/67/66/53/948676653.db2.gz GRHZLLGTBZSAQT-GOSISDBHSA-N 0 3 408.502 4.037 50 0 HIAAHN CCc1ccc(CN2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)cc1 ZINC000001179486 132240726 /nfs/dbraw/zinc/24/07/26/132240726.db2.gz SHYDRNFKLCOXBN-UHFFFAOYSA-N 0 3 419.613 4.427 50 0 HIAAHN CC(=O)Nc1ccc2c(CN[C@H](c3ccc4c(c3)OCCO4)C(C)C)cc(=O)oc2c1 ZINC000032759534 519734335 /nfs/dbraw/zinc/73/43/35/519734335.db2.gz YPHJMUCCQOOMKE-DEOSSOPVSA-N 0 3 422.481 4.010 50 0 HIAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000032908709 521892544 /nfs/dbraw/zinc/89/25/44/521892544.db2.gz UWGDGGPLSBLBTO-UHFFFAOYSA-N 0 3 412.489 4.452 50 0 HIAAHN COc1ccc(/C=C/CN2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000020541787 523405015 /nfs/dbraw/zinc/40/50/15/523405015.db2.gz BDDMKBPOKRJURF-UQPVFDRXSA-N 0 3 409.549 4.134 50 0 HIAAHN Cc1nc2scc(-c3ccccc3)c2c(NC[C@H](C(C)C)N2CCN(C)CC2)n1 ZINC000032760682 527207959 /nfs/dbraw/zinc/20/79/59/527207959.db2.gz WHRYQALWSUFTJV-HXUWFJFHSA-N 0 3 409.603 4.351 50 0 HIAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2 ZINC000004908538 535567518 /nfs/dbraw/zinc/56/75/18/535567518.db2.gz PONLLOHPKYCQOD-HXUWFJFHSA-N 0 3 413.562 4.152 50 0 HIAAHN NC(=O)c1ccc(CN2CCC([C@H]3CCCCCN3C(=O)c3ccccc3)CC2)cc1 ZINC000071889324 557294315 /nfs/dbraw/zinc/29/43/15/557294315.db2.gz VLWVJBYLSSDOCO-XMMPIXPASA-N 0 3 419.569 4.083 50 0 HIAAHN CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Cl)c1 ZINC000002419929 557346128 /nfs/dbraw/zinc/34/61/28/557346128.db2.gz KMSHCEISXOGTJK-HXUWFJFHSA-N 0 3 410.901 4.333 50 0 HIAAHN Cc1cccc(CN2CCN(c3nc4ccccc4c4nnc(-c5ccco5)n43)CC2)c1 ZINC000034675384 557363538 /nfs/dbraw/zinc/36/35/38/557363538.db2.gz DNOUDYKDXFRQFT-UHFFFAOYSA-N 0 3 424.508 4.168 50 0 HIAAHN c1coc(-c2nnc3c4ccccc4nc(N4CCN(CC5CCCCC5)CC4)n23)c1 ZINC000034707968 557389179 /nfs/dbraw/zinc/38/91/79/557389179.db2.gz NKLCMJKWKPMYFB-UHFFFAOYSA-N 0 3 416.529 4.240 50 0 HIAAHN COc1cccc([C@H]2CN(Cc3ccncc3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740293 557443848 /nfs/dbraw/zinc/44/38/48/557443848.db2.gz NQCIRBLFTLMGGH-ILBGXUMGSA-N 0 3 423.601 4.446 50 0 HIAAHN C[C@H](CN1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1I ZINC000004664848 557578375 /nfs/dbraw/zinc/57/83/75/557578375.db2.gz GFRXZFCEZIIFSF-HZSPNIEDSA-N 0 3 401.288 4.099 50 0 HIAAHN O=C(COc1ccc(Br)cc1CNC1CCCC1)Nc1ccccc1 ZINC000005065038 557633598 /nfs/dbraw/zinc/63/35/98/557633598.db2.gz HFHQOEKSOSBYHA-UHFFFAOYSA-N 0 3 403.320 4.499 50 0 HIAAHN CCN(CC)[C@@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)c1cccc(OC)c1 ZINC000022701018 557795368 /nfs/dbraw/zinc/79/53/68/557795368.db2.gz PRRMWLISMCHONW-QFIPXVFZSA-N 0 3 421.541 4.482 50 0 HIAAHN c1coc([C@H](CNCc2cn(-c3ccccc3)nc2-c2cccnc2)N2CCCC2)c1 ZINC000022786077 557820396 /nfs/dbraw/zinc/82/03/96/557820396.db2.gz UBAXKYREVXTKQK-QHCPKHFHSA-N 0 3 413.525 4.454 50 0 HIAAHN COCCN(Cc1c(F)cccc1F)CC1CCN(Cc2ccccc2F)CC1 ZINC000011763454 558273581 /nfs/dbraw/zinc/27/35/81/558273581.db2.gz IETMYCRIYJBUPT-UHFFFAOYSA-N 0 3 406.492 4.465 50 0 HIAAHN OCC1(CCOc2ccccc2)CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000011816986 558280429 /nfs/dbraw/zinc/28/04/29/558280429.db2.gz MNICZUNCGPNUTM-UHFFFAOYSA-N 0 3 409.505 4.259 50 0 HIAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1n[nH]c2ccccc21 ZINC000011818915 558282273 /nfs/dbraw/zinc/28/22/73/558282273.db2.gz BIEOHVAIRCKHAW-LJQANCHMSA-N 0 3 408.521 4.119 50 0 HIAAHN CCOC(=O)C1(c2ccccc2)CCN(CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000019925172 558307646 /nfs/dbraw/zinc/30/76/46/558307646.db2.gz LDMPDBIGZOTJHO-UHFFFAOYSA-N 0 3 414.933 4.266 50 0 HIAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1cc(C(C)C)no1 ZINC000012057320 558316396 /nfs/dbraw/zinc/31/63/96/558316396.db2.gz GDHNZENQYKGEIG-LJQANCHMSA-N 0 3 401.526 4.354 50 0 HIAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1cc(C(C)C)no1 ZINC000012057322 558316415 /nfs/dbraw/zinc/31/64/15/558316415.db2.gz GDHNZENQYKGEIG-IBGZPJMESA-N 0 3 401.526 4.354 50 0 HIAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000012072515 558317819 /nfs/dbraw/zinc/31/78/19/558317819.db2.gz WISXFNKAVJJSIP-SFHVURJKSA-N 0 3 423.532 4.342 50 0 HIAAHN COC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000020026853 558322553 /nfs/dbraw/zinc/32/25/53/558322553.db2.gz MBEKPPFVFLZHOP-UHFFFAOYSA-N 0 3 400.478 4.284 50 0 HIAAHN CN(Cc1ccc(OCCNC(=O)[C@@H]2CCCO2)cc1)Cc1cccc2ccccc21 ZINC000012127211 558331274 /nfs/dbraw/zinc/33/12/74/558331274.db2.gz BEXMNQHIFAJUKP-VWLOTQADSA-N 0 3 418.537 4.146 50 0 HIAAHN CC(=O)NC[C@H]1CCC2(CCN(Cc3ccc(-c4cccc(Cl)c4)o3)CC2)O1 ZINC000012126588 558331402 /nfs/dbraw/zinc/33/14/02/558331402.db2.gz GIYLTOOZMOUNFM-LJQANCHMSA-N 0 3 402.922 4.250 50 0 HIAAHN Fc1ccc(-n2cccn2)c(CN[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)c1 ZINC000020202199 558346094 /nfs/dbraw/zinc/34/60/94/558346094.db2.gz IIXBCEDWBSCOIC-SFHVURJKSA-N 0 3 419.426 4.184 50 0 HIAAHN CN(c1ccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)cn1)C1CCN(C)CC1 ZINC000020203629 558346541 /nfs/dbraw/zinc/34/65/41/558346541.db2.gz PUZNYJCFWTVBMJ-NRFANRHFSA-N 0 3 406.574 4.022 50 0 HIAAHN CN1CCC[C@@]2(CCCN(C(=O)c3csc4nc(-c5ccccc5F)cn34)C2)C1 ZINC000012200834 558351223 /nfs/dbraw/zinc/35/12/23/558351223.db2.gz WOZJTQSBCQCZLL-JOCHJYFZSA-N 0 3 412.534 4.150 50 0 HIAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1ccnc(Cl)c1 ZINC000012303439 558373044 /nfs/dbraw/zinc/37/30/44/558373044.db2.gz RFVMNANEWSIVAU-SFHVURJKSA-N 0 3 403.929 4.291 50 0 HIAAHN CCOC(=O)N1CCC(N2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)CC1 ZINC000012314008 558377493 /nfs/dbraw/zinc/37/74/93/558377493.db2.gz VHJLPOZSSNYTRV-HXUWFJFHSA-N 0 3 420.553 4.454 50 0 HIAAHN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3sccc3C)CC2)c1 ZINC000012387209 558396168 /nfs/dbraw/zinc/39/61/68/558396168.db2.gz VPSCZEKNGXSCPW-UHFFFAOYSA-N 0 3 414.571 4.345 50 0 HIAAHN Cc1nnc(-c2cccc(N3CCC(NCc4cncn4CC(C)C)CC3)c2)s1 ZINC000020774455 558411723 /nfs/dbraw/zinc/41/17/23/558411723.db2.gz PGNBICAQGYGGLK-UHFFFAOYSA-N 0 3 410.591 4.125 50 0 HIAAHN Cc1ccc(COc2ccc3ccccc3c2CNCCSc2nnnn2C)cc1 ZINC000020874204 558418533 /nfs/dbraw/zinc/41/85/33/558418533.db2.gz MQWFTLGLUIUNKE-UHFFFAOYSA-N 0 3 419.554 4.133 50 0 HIAAHN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(CCc3ccccc3)CC2)c1 ZINC000012586718 558434070 /nfs/dbraw/zinc/43/40/70/558434070.db2.gz HLHDMSWHKISEOQ-UHFFFAOYSA-N 0 3 408.542 4.017 50 0 HIAAHN CCc1onc(C)c1[C@@H]1CCCN1Cc1cn(CC(=O)OC)c2ccc(OC)cc12 ZINC000021720723 558446679 /nfs/dbraw/zinc/44/66/79/558446679.db2.gz RIMAKPFPAYULGB-FQEVSTJZSA-N 0 3 411.502 4.019 50 0 HIAAHN CCN(CC)CCN(C(=O)c1ccccc1F)c1nc2cc3c(cc2s1)OCO3 ZINC000004359488 558456580 /nfs/dbraw/zinc/45/65/80/558456580.db2.gz ORDGOGDYBVFRPR-UHFFFAOYSA-N 0 3 415.490 4.153 50 0 HIAAHN Cc1cc(C)n(-c2ccc(F)cc2CN2CCC[C@](CO)(Cc3ccccc3)C2)n1 ZINC000012744288 558457659 /nfs/dbraw/zinc/45/76/59/558457659.db2.gz KEJLVQXSBBISOK-VWLOTQADSA-N 0 3 407.533 4.445 50 0 HIAAHN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2ccccc2)CC1 ZINC000012749537 558458858 /nfs/dbraw/zinc/45/88/58/558458858.db2.gz VRDKTUBYZYYGIO-UHFFFAOYSA-N 0 3 405.502 4.373 50 0 HIAAHN Cc1ccc2c(cccc2OCCN2CCN(Cc3cccc4cccnc43)CC2)n1 ZINC000022445253 558489917 /nfs/dbraw/zinc/48/99/17/558489917.db2.gz RMCSKUADBRROSI-UHFFFAOYSA-N 0 3 412.537 4.288 50 0 in-vitro HIAAHN CSCCCNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000013593964 558546628 /nfs/dbraw/zinc/54/66/28/558546628.db2.gz FRTPLUNTPKUTSJ-UHFFFAOYSA-N 0 3 412.599 4.255 50 0 HIAAHN CCOc1cccc(CNCCOCCO)c1OCc1ccc(Cl)cc1Cl ZINC000013717473 558579980 /nfs/dbraw/zinc/57/99/80/558579980.db2.gz VEAUAHMXVDBMGQ-UHFFFAOYSA-N 0 3 414.329 4.070 50 0 HIAAHN COc1cccc(CNCCCN2CCCC2=O)c1OCc1ccc(F)cc1Cl ZINC000013727999 558585454 /nfs/dbraw/zinc/58/54/54/558585454.db2.gz YCIRPGBPSLVSOQ-UHFFFAOYSA-N 0 3 420.912 4.169 50 0 HIAAHN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000024928078 558621207 /nfs/dbraw/zinc/62/12/07/558621207.db2.gz HVXAWMUFCZZSCF-HXUWFJFHSA-N 0 3 409.917 4.318 50 0 HIAAHN COc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)N2CCCCCC2)cc1 ZINC000027580484 558675788 /nfs/dbraw/zinc/67/57/88/558675788.db2.gz AKMMLLPXYFWNDE-JOCHJYFZSA-N 0 3 416.949 4.461 50 0 HIAAHN O=C(COc1ccc(Cl)cc1)N1CCC[C@@H]2CN(Cc3ccsc3)CC[C@H]21 ZINC000014887543 558677789 /nfs/dbraw/zinc/67/77/89/558677789.db2.gz PHLVEHJXMVZKLV-YLJYHZDGSA-N 0 3 404.963 4.293 50 0 HIAAHN COCCNC(=O)c1ccc(OC2CCN(Cc3ccccc3C)CC2)c(Cl)c1 ZINC000014951561 558681254 /nfs/dbraw/zinc/68/12/54/558681254.db2.gz WMISUGUMTCCQOQ-UHFFFAOYSA-N 0 3 416.949 4.068 50 0 HIAAHN Cc1ccccc1CN1C(=O)CC[C@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000014980854 558691430 /nfs/dbraw/zinc/69/14/30/558691430.db2.gz LKZHQRYJMYEMLU-SFHVURJKSA-N 0 3 400.906 4.048 50 0 HIAAHN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(CCCC(F)(F)F)CC2)c1 ZINC000015063553 558706171 /nfs/dbraw/zinc/70/61/71/558706171.db2.gz PNFHOIIBZXDKPV-UHFFFAOYSA-N 0 3 414.468 4.117 50 0 HIAAHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc3cc(OC)ccc3c2)C1 ZINC000015068687 558711198 /nfs/dbraw/zinc/71/11/98/558711198.db2.gz ATYUHABYIADXDK-OAQYLSRUSA-N 0 3 420.557 4.319 50 0 HIAAHN C[C@H](CN1C(=O)CC[C@H]1CCNCc1cc2c(cc1Cl)OCO2)c1ccccc1 ZINC000015070484 558712509 /nfs/dbraw/zinc/71/25/09/558712509.db2.gz SNLCVLMNGCGOKF-APWZRJJASA-N 0 3 414.933 4.343 50 0 HIAAHN CCOCCCNC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000004552819 558720370 /nfs/dbraw/zinc/72/03/70/558720370.db2.gz NHAIRJQYBXHLEI-UHFFFAOYSA-N 0 3 410.558 4.020 50 0 HIAAHN CC1CCN([C@@H](CNC(=O)N2CCN(c3ccccc3)CC2)c2cccs2)CC1 ZINC000017126210 558823397 /nfs/dbraw/zinc/82/33/97/558823397.db2.gz HIOPLALDVZELPB-NRFANRHFSA-N 0 3 412.603 4.053 50 0 HIAAHN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1 ZINC000072314316 558844127 /nfs/dbraw/zinc/84/41/27/558844127.db2.gz JGPYKUJASYKGRL-LJQANCHMSA-N 0 3 422.573 4.343 50 0 HIAAHN CCCC[C@@H]1CN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2ccccc2O1 ZINC000055226052 558876666 /nfs/dbraw/zinc/87/66/66/558876666.db2.gz DHJNDRBXNKSWBP-JOCHJYFZSA-N 0 3 405.542 4.438 50 0 HIAAHN O=C1N[C@]2(CCCN(Cc3ccccc3)C2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000058109282 558899352 /nfs/dbraw/zinc/89/93/52/558899352.db2.gz WGRIOXQVUSWFPC-NRFANRHFSA-N 0 3 418.324 4.080 50 0 HIAAHN CCOc1ncccc1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000058138740 558901284 /nfs/dbraw/zinc/90/12/84/558901284.db2.gz HJFUILAYSBWERZ-UHFFFAOYSA-N 0 3 416.525 4.055 50 0 HIAAHN O=C(CCOc1ccccc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000058160648 558905381 /nfs/dbraw/zinc/90/53/81/558905381.db2.gz YNAQORGUECZHFF-UHFFFAOYSA-N 0 3 415.537 4.416 50 0 HIAAHN O=C(c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)N1CC[C@H](N2CCCC2)C1 ZINC000060374168 558941949 /nfs/dbraw/zinc/94/19/49/558941949.db2.gz ITDUGMZUCKCMPC-SFHVURJKSA-N 0 3 410.905 4.096 50 0 HIAAHN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000067623066 558990106 /nfs/dbraw/zinc/99/01/06/558990106.db2.gz RIEXEMDBCGVXAO-UHFFFAOYSA-N 0 3 424.932 4.261 50 0 HIAAHN COc1ccc(/C=C/CN2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000095352895 559079654 /nfs/dbraw/zinc/07/96/54/559079654.db2.gz KVOKXDREDVNLAG-LNJOJYBOSA-N 0 3 405.586 4.303 50 0 HIAAHN Cc1ccc(-c2ccccc2CN2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)o1 ZINC000095355201 559079883 /nfs/dbraw/zinc/07/98/83/559079883.db2.gz ACTGKZYDJNURCC-DENIHFKCSA-N 0 3 401.510 4.387 50 0 HIAAHN Cc1ccc(C)c([C@H](NC(=O)C2CCN(Cc3ccco3)CC2)c2cccnc2)c1 ZINC000095374952 559080404 /nfs/dbraw/zinc/08/04/04/559080404.db2.gz KTMIXVPZZQRYRH-XMMPIXPASA-N 0 3 403.526 4.409 50 0 HIAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000004905713 559201683 /nfs/dbraw/zinc/20/16/83/559201683.db2.gz ZNCTUOFDDJHXKX-HXUWFJFHSA-N 0 3 405.498 4.159 50 0 HIAAHN Cc1cccc(CN(C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)n1 ZINC000011816856 559260390 /nfs/dbraw/zinc/26/03/90/559260390.db2.gz ZSBJLVRGUGVYKB-DEOSSOPVSA-N 0 3 411.565 4.422 50 0 HIAAHN COc1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCCCCC2)cc1 ZINC000011915586 559267915 /nfs/dbraw/zinc/26/79/15/559267915.db2.gz NRLJHSBCNKXYMW-QFIPXVFZSA-N 0 3 420.509 4.149 50 0 HIAAHN CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc(Br)c3)=NN12 ZINC000005163955 559275744 /nfs/dbraw/zinc/27/57/44/559275744.db2.gz MKCWVJYUQKXREE-LJQANCHMSA-N 0 3 412.331 4.415 50 0 HIAAHN Cc1cccc2sc(N(Cc3ccccn3)C(=O)C3COc4ccccc4O3)nc21 ZINC000005264831 560553355 /nfs/dbraw/zinc/55/33/55/560553355.db2.gz QADSQDJDUICCDM-IBGZPJMESA-N 0 3 417.490 4.373 50 0 HIAAHN CCN(CC(=O)Nc1ccc(OC(F)F)cc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000062582000 560632067 /nfs/dbraw/zinc/63/20/67/560632067.db2.gz VCWORKIBBHLLMB-PXNSSMCTSA-N 0 3 417.500 4.384 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102690657 560819945 /nfs/dbraw/zinc/81/99/45/560819945.db2.gz PQRXXEZTUSVBNK-PCCBWWKXSA-N 0 3 404.853 4.391 50 0 HIAAHN CCCC[C@@H]1[C@H]2C(=O)N(c3ccc(OCCC)cc3)C(=O)C2ON1c1ccccc1 ZINC000102729864 560822252 /nfs/dbraw/zinc/82/22/52/560822252.db2.gz HTHMRCIAPOXXJW-YPAWHYETSA-N 0 3 408.498 4.344 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102729509 560822268 /nfs/dbraw/zinc/82/22/68/560822268.db2.gz ZVNFNZGPNULSLH-RBZQAINGSA-N 0 3 421.456 4.286 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)c(C)c1 ZINC000102731969 560822455 /nfs/dbraw/zinc/82/24/55/560822455.db2.gz BCOGPEAYQAMWRM-PCCBWWKXSA-N 0 3 404.491 4.416 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3F)[C@@H]2C(=O)N1c1cccc(F)c1 ZINC000102767876 560825106 /nfs/dbraw/zinc/82/51/06/560825106.db2.gz NBHWJPUIBACJGY-PCCBWWKXSA-N 0 3 406.388 4.016 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000102861269 560831845 /nfs/dbraw/zinc/83/18/45/560831845.db2.gz JCPFPKCJPGQIBH-SLFFLAALSA-N 0 3 408.841 4.293 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4C)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000102912280 560835359 /nfs/dbraw/zinc/83/53/59/560835359.db2.gz CFPAIWKZMJGJHM-PCCBWWKXSA-N 0 3 404.491 4.416 50 0 HIAAHN Cc1cc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2F)c(C)s1 ZINC000046057253 568426009 /nfs/dbraw/zinc/42/60/09/568426009.db2.gz QBAAITLKSZBGGD-CQSZACIVSA-N 0 3 401.438 4.446 50 0 HIAAHN O=C(NCc1ccccn1)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000000819279 568496818 /nfs/dbraw/zinc/49/68/18/568496818.db2.gz IZVOIGIQIKQQTQ-UHFFFAOYSA-N 0 3 415.537 4.189 50 0 HIAAHN CN(C)[C@@H](CNC(=O)CSc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000005780560 568561210 /nfs/dbraw/zinc/56/12/10/568561210.db2.gz KDTBIQUPKZHJFR-INIZCTEOSA-N 0 3 405.976 4.461 50 0 HIAAHN O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000020108549 568588520 /nfs/dbraw/zinc/58/85/20/568588520.db2.gz RHGCQWPTVAGFDS-QFIPXVFZSA-N 0 3 403.998 4.390 50 0 HIAAHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc(-c3ccco3)nc2C)cc1 ZINC000095456453 568617683 /nfs/dbraw/zinc/61/76/83/568617683.db2.gz DDAXXNRWLZIWBH-JOCHJYFZSA-N 0 3 405.498 4.226 50 0 HIAAHN CC(C)N(Cc1ccc(NC(=O)NCC(C)(C)C[C@@H](C)O)cc1)C[C@@H]1CCCCO1 ZINC000095460780 568620394 /nfs/dbraw/zinc/62/03/94/568620394.db2.gz SKYWECYRVLCIIV-KNQAVFIVSA-N 0 3 419.610 4.385 50 0 HIAAHN CC[C@@H](C)N(CCNC(=O)c1noc2c1COc1ccc(C)cc1-2)Cc1ccco1 ZINC000020510068 568621050 /nfs/dbraw/zinc/62/10/50/568621050.db2.gz HVRRPFJRTGIMME-MRXNPFEDSA-N 0 3 409.486 4.166 50 0 HIAAHN CC1=C2C[C@@H]3[C@H](CN4CCN(Cc5ccccc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000020612435 568637659 /nfs/dbraw/zinc/63/76/59/568637659.db2.gz AZCJOSWXMWVFEY-MWXBQQNOSA-N 0 3 408.586 4.263 50 0 HIAAHN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)CN3CCCC3)cc21 ZINC000021167931 568675097 /nfs/dbraw/zinc/67/50/97/568675097.db2.gz OHAMYOOOPKVYRJ-OAQYLSRUSA-N 0 3 406.526 4.285 50 0 HIAAHN CCC[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000226813319 568697690 /nfs/dbraw/zinc/69/76/90/568697690.db2.gz BGOFGNTZSGJLKH-FGTMMUONSA-N 0 3 405.281 4.472 50 0 HIAAHN CCC[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)C2ON1c1ccccc1 ZINC000226982735 568698889 /nfs/dbraw/zinc/69/88/89/568698889.db2.gz PBLBZXKHIMOEEP-FGTMMUONSA-N 0 3 404.388 4.184 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)c(F)c4)[C@@H]3C2=O)cc1 ZINC000230044127 568804360 /nfs/dbraw/zinc/80/43/60/568804360.db2.gz QUFAJEFNCKOFAQ-BHDDXSALSA-N 0 3 420.415 4.324 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3F)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000230049813 568804389 /nfs/dbraw/zinc/80/43/89/568804389.db2.gz UABRJPJIQRLWQC-PWRODBHTSA-N 0 3 406.388 4.016 50 0 HIAAHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000002798757 568810752 /nfs/dbraw/zinc/81/07/52/568810752.db2.gz GRIYQZILAYJBIT-GFCCVEGCSA-N 0 3 414.399 4.019 50 0 HIAAHN CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccccc1F ZINC000002890324 568815096 /nfs/dbraw/zinc/81/50/96/568815096.db2.gz FHHQNKSSPXALSW-LJQANCHMSA-N 0 3 414.864 4.082 50 0 HIAAHN CCN(CC)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccccc1 ZINC000002890453 568815115 /nfs/dbraw/zinc/81/51/15/568815115.db2.gz CWTSIBTUVNERAR-FQEVSTJZSA-N 0 3 410.901 4.333 50 0 HIAAHN O=C(NCC1(N2CCCCC2)CCCCC1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000012569459 568861374 /nfs/dbraw/zinc/86/13/74/568861374.db2.gz KMOZXECJULRFIE-UHFFFAOYSA-N 0 3 402.922 4.365 50 0 HIAAHN Cc1noc(C)c1COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000012696860 568916761 /nfs/dbraw/zinc/91/67/61/568916761.db2.gz IDDHSSIRUREULL-UHFFFAOYSA-N 0 3 419.525 4.265 50 0 HIAAHN CC(=O)Nc1ccc2nc(CN3CCCN(Cc4ccccc4F)CC3)ccc2c1 ZINC000670450769 568926744 /nfs/dbraw/zinc/92/67/44/568926744.db2.gz HDQXNHMVBVOARM-UHFFFAOYSA-N 0 3 406.505 4.040 50 0 HIAAHN C[C@@H](N[C@@H](C)c1cccc(Br)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000084651614 568954843 /nfs/dbraw/zinc/95/48/43/568954843.db2.gz XFLCKTJQLLSWJB-KGLIPLIRSA-N 0 3 411.365 4.111 50 0 HIAAHN CN1CCCN(c2ncnc3cc(-c4ccc(Br)cc4)sc32)CC1 ZINC000012813778 568987806 /nfs/dbraw/zinc/98/78/06/568987806.db2.gz JTYJFDYEOBIYKZ-UHFFFAOYSA-N 0 3 403.349 4.263 50 0 HIAAHN Cc1cc(O)c([C@H](c2ccncc2)N2CCC(C)CC2)c(=O)n1Cc1ccccc1 ZINC000038545807 568999585 /nfs/dbraw/zinc/99/95/85/568999585.db2.gz LWFIPIXUCMRUKR-DEOSSOPVSA-N 0 3 403.526 4.127 50 0 HIAAHN COc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@@H](O)Cc2ccccc2)cc1 ZINC000036102320 569091794 /nfs/dbraw/zinc/09/17/94/569091794.db2.gz AJNQQLVTZUUXQR-QFIPXVFZSA-N 0 3 405.494 4.030 50 0 HIAAHN COc1cccc(CN(C[C@H]2CC(c3ccc(N(C)C)cc3)=NO2)C(=O)CC(C)C)c1 ZINC000006722555 569099694 /nfs/dbraw/zinc/09/96/94/569099694.db2.gz OBBKPMUAGPPEDU-HSZRJFAPSA-N 0 3 423.557 4.329 50 0 HIAAHN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CCC(C)C)C[C@@H](O)COC ZINC000036249761 569119260 /nfs/dbraw/zinc/11/92/60/569119260.db2.gz ANAKONFSWNVVDB-HXUWFJFHSA-N 0 3 421.557 4.182 50 0 HIAAHN COC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C ZINC000036308093 569130216 /nfs/dbraw/zinc/13/02/16/569130216.db2.gz ASRMMHZKTCHYKI-OAQYLSRUSA-N 0 3 423.557 4.345 50 0 HIAAHN COc1ccc(-c2noc(-c3ccc(N4CCN(C5CCCCC5)CC4)nc3)n2)cc1 ZINC000065097837 569176654 /nfs/dbraw/zinc/17/66/54/569176654.db2.gz NMJDQLUJTIRVDX-UHFFFAOYSA-N 0 3 419.529 4.262 50 0 HIAAHN CCCn1c(-c2cccc(C(=O)NCCN3CCCC[C@H]3C)c2)nc2cccnc21 ZINC000065172874 569189963 /nfs/dbraw/zinc/18/99/63/569189963.db2.gz XGZZCVWYKHOHCH-GOSISDBHSA-N 0 3 405.546 4.113 50 0 HIAAHN Cc1nc(Nc2cccc(C)n2)sc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000065306298 569220551 /nfs/dbraw/zinc/22/05/51/569220551.db2.gz RVERPSJCPIINSM-UHFFFAOYSA-N 0 3 421.570 4.293 50 0 HIAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000014043238 569258395 /nfs/dbraw/zinc/25/83/95/569258395.db2.gz SZSWUKSUYDIXHW-NRFANRHFSA-N 0 3 408.505 4.301 50 0 HIAAHN O=C(Cc1ccccc1Cl)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000089813509 569266446 /nfs/dbraw/zinc/26/64/46/569266446.db2.gz IADZWOSVFSROAR-UHFFFAOYSA-N 0 3 407.341 4.196 50 0 HIAAHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1ccccc1OC(F)F ZINC000089977223 569270428 /nfs/dbraw/zinc/27/04/28/569270428.db2.gz NGAKBUJBRNDUCK-LJQANCHMSA-N 0 3 418.484 4.049 50 0 HIAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1Cn1nnc2ccccc21 ZINC000002100978 569281373 /nfs/dbraw/zinc/28/13/73/569281373.db2.gz RXFOOPNQCJKEGN-DEOSSOPVSA-N 0 3 409.493 4.205 50 0 biogenic HIAAHN C[C@@H]1C[C@H](NC(=O)COc2ccc(C(F)(F)F)cc2)CCN1Cc1ccccc1 ZINC000170654893 569295448 /nfs/dbraw/zinc/29/54/48/569295448.db2.gz QEGOEQSOVOAAGH-VQIMIIECSA-N 0 3 406.448 4.254 50 0 HIAAHN Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2C2CCN(C)CC2)cc1 ZINC000007779299 569309187 /nfs/dbraw/zinc/30/91/87/569309187.db2.gz QEBPAIIHLXZRQL-UHFFFAOYSA-N 0 3 407.543 4.257 50 0 HIAAHN Cc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccccc2F)s1 ZINC000002399670 569394790 /nfs/dbraw/zinc/39/47/90/569394790.db2.gz YKBAESJCVCPQOL-QGZVFWFLSA-N 0 3 407.426 4.150 50 0 HIAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C1=O ZINC000002404513 569396041 /nfs/dbraw/zinc/39/60/41/569396041.db2.gz NDIWNNJWRZVTDL-PCCBWWKXSA-N 0 3 419.868 4.095 50 0 HIAAHN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(CC)CC)cc1 ZINC000002425541 569398485 /nfs/dbraw/zinc/39/84/85/569398485.db2.gz IQJWKVJOGYNSGR-JOCHJYFZSA-N 0 3 420.509 4.079 50 0 HIAAHN CC(C(=O)N[C@H](C)c1ccccc1)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000040106070 571166621 /nfs/dbraw/zinc/16/66/21/571166621.db2.gz HNFKIUSWTJIMQG-OLZOCXBDSA-N 0 3 400.327 4.174 50 0 HIAAHN O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000040121140 571177199 /nfs/dbraw/zinc/17/71/99/571177199.db2.gz AZBREDONCAPHHH-FQEVSTJZSA-N 0 3 406.461 4.409 50 0 HIAAHN CCN1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000009151185 571230259 /nfs/dbraw/zinc/23/02/59/571230259.db2.gz WLFBEKNNWLBILE-UHFFFAOYSA-N 0 3 413.493 4.131 50 0 HIAAHN CCN1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000009151173 571230272 /nfs/dbraw/zinc/23/02/72/571230272.db2.gz JZFJHQQVOWTMMM-UHFFFAOYSA-N 0 3 403.473 4.492 50 0 HIAAHN Cc1c(C)n(CCC[NH+](C)C)c2ncn3nc(-c4ccc5ccccc5c4[O-])nc3c12 ZINC000009184489 571234714 /nfs/dbraw/zinc/23/47/14/571234714.db2.gz GJXXXXTUPFDUAT-UHFFFAOYSA-N 0 3 414.513 4.173 50 0 HIAAHN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1cccc2ccccc21)N(C)C ZINC000010333746 571300674 /nfs/dbraw/zinc/30/06/74/571300674.db2.gz BMZQBEJVNHCWLI-OAQYLSRUSA-N 0 3 409.917 4.159 50 0 HIAAHN c1ccc2c(c1)nc([C@H]1CCCO1)n2C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000011789770 845833345 /nfs/dbraw/zinc/83/33/45/845833345.db2.gz XEBSDNYAZSSWPM-HSZRJFAPSA-N 0 3 419.525 4.496 50 0 HIAAHN O=C(NC[C@H]1CCC2(CCN(Cc3ccccn3)CC2)O1)c1ccc2ccccc2c1 ZINC000011790493 845833795 /nfs/dbraw/zinc/83/37/95/845833795.db2.gz QXNGCQRFTNGPCD-XMMPIXPASA-N 0 3 415.537 4.178 50 0 HIAAHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C)cc54)C3)C2)c1 ZINC000012434161 845870087 /nfs/dbraw/zinc/87/00/87/845870087.db2.gz UYRHFLSOFWRRAY-RUZDIDTESA-N 0 3 418.541 4.008 50 0 HIAAHN CCOc1c(Cl)cc(/C=C/C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000012798773 845890114 /nfs/dbraw/zinc/89/01/14/845890114.db2.gz MSDHGZNDKRMDJW-JBVUFVISSA-N 0 3 414.933 4.151 50 0 HIAAHN C[C@H](c1cccs1)N1C(=O)c2cccc(N3CCN(CC(C)(C)C)CC3)c2C1=O ZINC000014988134 845996690 /nfs/dbraw/zinc/99/66/90/845996690.db2.gz LSJWSRYRUDPJGR-MRXNPFEDSA-N 0 3 411.571 4.273 50 0 HIAAHN COc1cccc(OC)c1CN[C@@H]1CCCN(c2nc(C)c3cc(F)ccc3n2)CC1 ZINC000014990221 845996822 /nfs/dbraw/zinc/99/68/22/845996822.db2.gz CLAZBMSMJCGYOE-GOSISDBHSA-N 0 3 424.520 4.243 50 0 HIAAHN CC(C)Cc1cc(CN2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n[nH]1 ZINC000015062033 846005062 /nfs/dbraw/zinc/00/50/62/846005062.db2.gz CLTCWPUAJLXGKF-QGZVFWFLSA-N 0 3 418.532 4.195 50 0 HIAAHN COc1ccccc1N1CCN([C@@H]2CCCN(C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000020203256 846381226 /nfs/dbraw/zinc/38/12/26/846381226.db2.gz AQHGNHYAFSNFED-FIYNHDKVSA-N 0 3 409.549 4.134 50 0 HIAAHN O=C(/C=C\c1ccc(OCc2ccccn2)cc1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000098006697 852650006 /nfs/dbraw/zinc/65/00/06/852650006.db2.gz LDALBWYMLKPNAA-OVTQYCMBSA-N 0 3 413.521 4.065 50 0 HIAAHN Cc1ccc(CN2CC[C@H](Oc3ccccc3-c3nc(C4CCOCC4)no3)C2)o1 ZINC000575314283 948642187 /nfs/dbraw/zinc/64/21/87/948642187.db2.gz JGVIHUAKDPICRQ-IBGZPJMESA-N 0 3 409.486 4.185 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)COc3c(C)cc(C)cc3Cl)cc2)CC1 ZINC000004998439 132298095 /nfs/dbraw/zinc/29/80/95/132298095.db2.gz JGBDAVOZYSVEQN-UHFFFAOYSA-N 0 3 401.938 4.116 50 0 HIAAHN CC(C)Oc1c(Br)cc(Br)cc1CNCCCCCO ZINC000040730101 519777577 /nfs/dbraw/zinc/77/75/77/519777577.db2.gz VIKISIJVXCYAIM-UHFFFAOYSA-N 0 3 409.162 4.251 50 0 HIAAHN Cc1ccc(NC(=O)COc2cccc(CNCc3ccc4c(c3)OCO4)c2)cc1 ZINC000040739107 525071179 /nfs/dbraw/zinc/07/11/79/525071179.db2.gz QCIRNTPFABZITR-UHFFFAOYSA-N 0 3 404.466 4.031 50 0 HIAAHN CSc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000032622743 526077264 /nfs/dbraw/zinc/07/72/64/526077264.db2.gz QSFPDNQEHQDKEI-FQEVSTJZSA-N 0 3 408.523 4.012 50 0 HIAAHN NC(=O)c1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2ccccc21 ZINC000032809992 527029849 /nfs/dbraw/zinc/02/98/49/527029849.db2.gz KNSUVEUDTBGVES-UHFFFAOYSA-N 0 3 422.532 4.245 50 0 HIAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000000934778 557120128 /nfs/dbraw/zinc/12/01/28/557120128.db2.gz HWUDVBHHSWCXAL-IBGZPJMESA-N 0 3 412.331 4.415 50 0 HIAAHN CCCc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cnn1-c1ccccc1 ZINC000001031181 557147200 /nfs/dbraw/zinc/14/72/00/557147200.db2.gz VFNCEEJPGNSZGB-UHFFFAOYSA-N 0 3 402.542 4.219 50 0 HIAAHN CC(C)CN1CCC(N(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000034683703 557386888 /nfs/dbraw/zinc/38/68/88/557386888.db2.gz BTQQBUOVHADNLD-UHFFFAOYSA-N 0 3 408.514 4.281 50 0 HIAAHN COCCN(C[C@@H]1CN(Cc2cccs2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740518 557443981 /nfs/dbraw/zinc/44/39/81/557443981.db2.gz HTQWRLSEVGPVIZ-SIKLNZKXSA-N 0 3 418.578 4.234 50 0 HIAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)COc2cccc3ccccc32)cc1 ZINC000004666463 557578623 /nfs/dbraw/zinc/57/86/23/557578623.db2.gz ZYLXKAOIMUAELK-UHFFFAOYSA-N 0 3 420.509 4.356 50 0 HIAAHN O=C(c1cccc2ccccc21)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000004700732 557583628 /nfs/dbraw/zinc/58/36/28/557583628.db2.gz UEDMULSDAFVLEL-UHFFFAOYSA-N 0 3 413.565 4.262 50 0 HIAAHN CCc1ccc2nc(N3CCC(C(=O)NCCN4CCCCCC4)CC3)sc2c1 ZINC000004757397 557594575 /nfs/dbraw/zinc/59/45/75/557594575.db2.gz AOSGKMKLQRYSQH-UHFFFAOYSA-N 0 3 414.619 4.067 50 0 HIAAHN Clc1ccc(-c2ccc(CNCCSc3nnnn3-c3ccccc3)o2)cc1 ZINC000006746691 557718885 /nfs/dbraw/zinc/71/88/85/557718885.db2.gz KNDFILOFIZERPW-UHFFFAOYSA-N 0 3 411.918 4.458 50 0 HIAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)c2ccc(OC)c(C)c2)cc1 ZINC000011771144 558274307 /nfs/dbraw/zinc/27/43/07/558274307.db2.gz GJSWKGYGAWSCDO-UHFFFAOYSA-N 0 3 410.558 4.039 50 0 HIAAHN CCOC(=O)C1(CCOc2ccccc2)CCN([C@H](C)Cc2ccc(O)cc2)CC1 ZINC000011840275 558286499 /nfs/dbraw/zinc/28/64/99/558286499.db2.gz BWELBBDNTSLNFM-HXUWFJFHSA-N 0 3 411.542 4.438 50 0 HIAAHN CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C3CCN(Cc4ccccn4)CC3)C2)c1 ZINC000011844485 558289350 /nfs/dbraw/zinc/28/93/50/558289350.db2.gz MLVJVBPVGNBVNB-QFIPXVFZSA-N 0 3 421.585 4.428 50 0 HIAAHN Cc1cccc(CN2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)n1 ZINC000011936996 558300745 /nfs/dbraw/zinc/30/07/45/558300745.db2.gz VDPXFYDCFDINBZ-LJQANCHMSA-N 0 3 402.498 4.428 50 0 HIAAHN Cc1ccc(-n2ncc3c2CCC[C@H]3NCc2ccc(N3CCNC3=O)cc2)cc1C ZINC000011950117 558302726 /nfs/dbraw/zinc/30/27/26/558302726.db2.gz CNLZRKPRZFMFGY-HSZRJFAPSA-N 0 3 415.541 4.186 50 0 HIAAHN COc1ccc(CN2CCC3(C[C@H]3C(=O)Nc3cccc(F)c3)CC2)c(OC)c1C ZINC000011970523 558304672 /nfs/dbraw/zinc/30/46/72/558304672.db2.gz NAMKRNMTLLAGIK-FQEVSTJZSA-N 0 3 412.505 4.392 50 0 HIAAHN O=C1CC[C@H](CCNCc2ccccc2F)N1Cc1cccc(OC(F)(F)F)c1 ZINC000011976730 558305597 /nfs/dbraw/zinc/30/55/97/558305597.db2.gz MPBIHJRXKHMYEU-QGZVFWFLSA-N 0 3 410.411 4.395 50 0 HIAAHN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000012058198 558316671 /nfs/dbraw/zinc/31/66/71/558316671.db2.gz CGTZNVWMKTXKKG-UHFFFAOYSA-N 0 3 424.541 4.259 50 0 HIAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC[C@@H]2CCO)c(F)c1 ZINC000012093381 558324815 /nfs/dbraw/zinc/32/48/15/558324815.db2.gz NHZWHJJWQIXQKW-LJQANCHMSA-N 0 3 409.505 4.424 50 0 HIAAHN CN(C(=O)CCc1c[nH]c2ccccc12)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012297323 558367346 /nfs/dbraw/zinc/36/73/46/558367346.db2.gz QXGQIIHHFLDWPF-JOCHJYFZSA-N 0 3 401.554 4.191 50 0 HIAAHN CN(C(=O)CCc1c[nH]c2ccccc12)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012297324 558367401 /nfs/dbraw/zinc/36/74/01/558367401.db2.gz QXGQIIHHFLDWPF-QFIPXVFZSA-N 0 3 401.554 4.191 50 0 HIAAHN CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)c1cnc2ccccc2c1 ZINC000012300032 558370122 /nfs/dbraw/zinc/37/01/22/558370122.db2.gz LDYKXVPEFCWKOC-UHFFFAOYSA-N 0 3 405.517 4.401 50 0 HIAAHN COc1ccc(CN2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OCc1ccccc1 ZINC000012363300 558387417 /nfs/dbraw/zinc/38/74/17/558387417.db2.gz WIDPDFCJYLWUFS-OYRHEFFESA-N 0 3 424.585 4.348 50 0 HIAAHN COc1ccccc1CN1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1 ZINC000012373060 558390626 /nfs/dbraw/zinc/39/06/26/558390626.db2.gz HKXVPMJSONJXAJ-UHFFFAOYSA-N 0 3 408.477 4.120 50 0 HIAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CNCCCc1ccccc1 ZINC000012445425 558413680 /nfs/dbraw/zinc/41/36/80/558413680.db2.gz DHSBQALEGADBLS-UHFFFAOYSA-N 0 3 404.558 4.381 50 0 HIAAHN COc1ccc(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3OC)C2)cc1C ZINC000012746328 558458006 /nfs/dbraw/zinc/45/80/06/558458006.db2.gz LBZZCVRIHQEBFL-HXUWFJFHSA-N 0 3 410.558 4.039 50 0 HIAAHN CC(C)[C@H](NCC(=O)N[C@H]1CCCc2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000012794537 558467715 /nfs/dbraw/zinc/46/77/15/558467715.db2.gz FKAUAKAPAYJVPS-OFVILXPXSA-N 0 3 408.542 4.328 50 0 HIAAHN CCN(CC)[C@@H](CNC(=O)c1ccc(OCc2cccnc2)cc1)c1ccccc1 ZINC000023114203 558534822 /nfs/dbraw/zinc/53/48/22/558534822.db2.gz NOCTXTYLNWYUMK-DEOSSOPVSA-N 0 3 403.526 4.474 50 0 HIAAHN COc1cc(CN[C@H](C)c2ccccc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717745 558580291 /nfs/dbraw/zinc/58/02/91/558580291.db2.gz LTSGTJOCVVTLNN-QGZVFWFLSA-N 0 3 401.470 4.314 50 0 HIAAHN c1nc2ccccc2n1-c1ccc(CNC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000023908824 558581344 /nfs/dbraw/zinc/58/13/44/558581344.db2.gz HABSEDLBDJHLNA-XMMPIXPASA-N 0 3 412.537 4.016 50 0 HIAAHN CC(C)Sc1nc2c3c(sc2c2nnc(SCCN(C)C)n21)CCCC3 ZINC000013736159 558588550 /nfs/dbraw/zinc/58/85/50/558588550.db2.gz MLVXZMUPLSBUEV-UHFFFAOYSA-N 0 3 407.634 4.372 50 0 HIAAHN CCOc1cccc(CNCCCN2CCOCC2)c1OCc1ccc(Cl)cc1 ZINC000013736677 558588805 /nfs/dbraw/zinc/58/88/05/558588805.db2.gz HBXPCRRIFJPOOZ-UHFFFAOYSA-N 0 3 418.965 4.130 50 0 HIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000014200514 558636185 /nfs/dbraw/zinc/63/61/85/558636185.db2.gz CHIRBGOTXNWBAH-UHFFFAOYSA-N 0 3 400.526 4.144 50 0 HIAAHN CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCc1ccc(C)c(F)c1)C2 ZINC000014534444 558657578 /nfs/dbraw/zinc/65/75/78/558657578.db2.gz VAMZBWYXFGQKTL-IBGZPJMESA-N 0 3 412.553 4.014 50 0 HIAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2cc(C)nc(C)n2)CC1 ZINC000014950248 558680778 /nfs/dbraw/zinc/68/07/78/558680778.db2.gz KZSDQGHOESZZTP-UHFFFAOYSA-N 0 3 424.589 4.112 50 0 HIAAHN COc1ccc2c(c1)C=C(CN1CCC(CO)(Cc3ccccc3Cl)CC1)CO2 ZINC000014951077 558680968 /nfs/dbraw/zinc/68/09/68/558680968.db2.gz VSMKWOIFYDZBNO-UHFFFAOYSA-N 0 3 413.945 4.442 50 0 HIAAHN Cc1cccc(-n2cc(CN(C[C@H]3CCC(=O)N3)C(C)C)c(-c3cccc(F)c3)n2)c1 ZINC000014974721 558688832 /nfs/dbraw/zinc/68/88/32/558688832.db2.gz HNGLTBBVRDPYAL-JOCHJYFZSA-N 0 3 420.532 4.476 50 0 HIAAHN COc1cc(CN2CCC[C@@H](C)C2)ccc1OCCCNC(=O)c1cccs1 ZINC000014990356 558694152 /nfs/dbraw/zinc/69/41/52/558694152.db2.gz WCOKROSCDJIRSM-QGZVFWFLSA-N 0 3 402.560 4.188 50 0 HIAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2cccnc2C)CC1 ZINC000015066084 558709188 /nfs/dbraw/zinc/70/91/88/558709188.db2.gz ZQFSARKAOAUMJJ-UHFFFAOYSA-N 0 3 409.574 4.409 50 0 HIAAHN COc1cccc(CN2C[C@@H]3C[C@@H](c4cccc5cccnc54)N4CCC[C@@]34C2=O)c1 ZINC000015076958 558716907 /nfs/dbraw/zinc/71/69/07/558716907.db2.gz BPVSAWGOFLSTQX-CHZKFRDHSA-N 0 3 413.521 4.181 50 0 HIAAHN CC(C)CNCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1F)CC[C@H](C)C2 ZINC000004554474 558722160 /nfs/dbraw/zinc/72/21/60/558722160.db2.gz BROBFOHYQCOUCZ-AWEZNQCLSA-N 0 3 417.550 4.448 50 0 HIAAHN CCN(Cc1ccc(S(C)(=O)=O)c(OC)c1)[C@H](Cc1ccc(C)cc1)C1CC1 ZINC000072304909 558756706 /nfs/dbraw/zinc/75/67/06/558756706.db2.gz UMDFJSYHTNSUKY-OAQYLSRUSA-N 0 3 401.572 4.250 50 0 HIAAHN CCOc1cc(CN2CCCCC[C@H]2c2cccc(F)c2)ccc1OCC(N)=O ZINC000033087237 558760723 /nfs/dbraw/zinc/76/07/23/558760723.db2.gz SWBPSFDZVGMFOA-FQEVSTJZSA-N 0 3 400.494 4.206 50 0 HIAAHN CC1(C)C[C@]1(CNCc1c(C(=O)N2CCCC2)nc2ccccn21)c1ccccc1 ZINC000055154016 558874498 /nfs/dbraw/zinc/87/44/98/558874498.db2.gz RGKIAPXDZYLYNI-VWLOTQADSA-N 0 3 402.542 4.028 50 0 HIAAHN COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000055529341 558881757 /nfs/dbraw/zinc/88/17/57/558881757.db2.gz DRURQEURDWWXKK-UHFFFAOYSA-N 0 3 401.510 4.270 50 0 HIAAHN O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC000060470596 558886179 /nfs/dbraw/zinc/88/61/79/558886179.db2.gz JUHHRNPTLBWVSN-OAHLLOKOSA-N 0 3 419.294 4.347 50 0 HIAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cnc2ccccc2n1 ZINC000058143229 558901734 /nfs/dbraw/zinc/90/17/34/558901734.db2.gz DVYUPDDVMLCEFR-UHFFFAOYSA-N 0 3 423.520 4.204 50 0 HIAAHN C[C@@H](NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1cccc2ccccc21 ZINC000058169311 558907927 /nfs/dbraw/zinc/90/79/27/558907927.db2.gz LKSDQROBRMTZIX-CQSZACIVSA-N 0 3 407.539 4.168 50 0 HIAAHN COc1ccc([C@@H](C)NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1F ZINC000058434989 558927151 /nfs/dbraw/zinc/92/71/51/558927151.db2.gz PLDMDBHJGXCTHW-VFNWGFHPSA-N 0 3 424.438 4.466 50 0 HIAAHN O=C(c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)N1CC[C@@H](N2CCCC2)C1 ZINC000060374169 558941871 /nfs/dbraw/zinc/94/18/71/558941871.db2.gz ITDUGMZUCKCMPC-GOSISDBHSA-N 0 3 410.905 4.096 50 0 HIAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916006 558972130 /nfs/dbraw/zinc/97/21/30/558972130.db2.gz VRGVPCPFKVXJCS-JOCHJYFZSA-N 0 3 420.557 4.276 50 0 HIAAHN O=C(CCC1CCN(Cc2cnc(-c3ccccc3)s2)CC1)NC[C@H]1CCCO1 ZINC000067755062 558992236 /nfs/dbraw/zinc/99/22/36/558992236.db2.gz CQBJNKZNHJWMIC-HXUWFJFHSA-N 0 3 413.587 4.098 50 0 HIAAHN Cc1cccc(CCN2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n1 ZINC000095498286 559081813 /nfs/dbraw/zinc/08/18/13/559081813.db2.gz VGCOVEAYFMKBLU-SFHVURJKSA-N 0 3 401.501 4.019 50 0 HIAAHN CCCOc1c(Br)cc(CNCCc2nc3ccccc3[nH]2)cc1OC ZINC000113399137 559180542 /nfs/dbraw/zinc/18/05/42/559180542.db2.gz KDBWJOFYJDOUAF-UHFFFAOYSA-N 0 3 418.335 4.455 50 0 HIAAHN Cc1cc(O)c([C@@H](c2cccc(F)c2)N2CCC(C)CC2)c(=O)n1Cc1ccccn1 ZINC000024023066 559187807 /nfs/dbraw/zinc/18/78/07/559187807.db2.gz PTPJPFHCUFPKNJ-XMMPIXPASA-N 0 3 421.516 4.266 50 0 HIAAHN COc1ccc2nc3sc(C(=O)NCCN(C)Cc4ccccc4)cc3cc2c1 ZINC000004901186 559199637 /nfs/dbraw/zinc/19/96/37/559199637.db2.gz BJGOETFTEQYSRR-UHFFFAOYSA-N 0 3 405.523 4.320 50 0 HIAAHN COCCN(C[C@H]1CN(Cc2cccs2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248154669 559265718 /nfs/dbraw/zinc/26/57/18/559265718.db2.gz HTQWRLSEVGPVIZ-KNQAVFIVSA-N 0 3 418.578 4.234 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)c3ccccc3C(=O)c3ccccc3)cc2)CC1 ZINC000005247219 560550786 /nfs/dbraw/zinc/55/07/86/560550786.db2.gz SJTYRCYYJQHBQU-UHFFFAOYSA-N 0 3 413.521 4.312 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000017921318 560730720 /nfs/dbraw/zinc/73/07/20/560730720.db2.gz ZVNFNZGPNULSLH-TZRRMPRUSA-N 0 3 421.456 4.286 50 0 HIAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4C)[C@@H](c4cccs4)[C@H]3C2=O)c1 ZINC000101264424 560789698 /nfs/dbraw/zinc/78/96/98/560789698.db2.gz LTLGWXSSEIRPKA-QHAWAJNXSA-N 0 3 404.491 4.416 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000102728204 560822009 /nfs/dbraw/zinc/82/20/09/560822009.db2.gz GUSRRSRXMWIWQD-RBZQAINGSA-N 0 3 421.456 4.286 50 0 HIAAHN Cc1ncc(CNCc2ccccc2)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc21 ZINC000095473614 568628920 /nfs/dbraw/zinc/62/89/20/568628920.db2.gz SIZYYTSXLGTUDA-UHFFFAOYSA-N 0 3 414.461 4.428 50 0 HIAAHN Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000095480917 568633717 /nfs/dbraw/zinc/63/37/17/568633717.db2.gz GPELFFLRZOQZJN-UHFFFAOYSA-N 0 3 422.960 4.362 50 0 HIAAHN O=C(NCC1CCN(Cc2cccc(F)c2)CC1)c1cccc2c1SCCC2=O ZINC000021103237 568666732 /nfs/dbraw/zinc/66/67/32/568666732.db2.gz AMUPEWJMLYFZNN-UHFFFAOYSA-N 0 3 412.530 4.146 50 0 HIAAHN C[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)N1C[C@H](C)C[C@@H](C)C1 ZINC000227156222 568699576 /nfs/dbraw/zinc/69/95/76/568699576.db2.gz TXXYCCYHVIPQLF-KFWWJZLASA-N 0 3 420.351 4.200 50 0 HIAAHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2C1=O ZINC000229994234 568716685 /nfs/dbraw/zinc/71/66/85/568716685.db2.gz BGMVTEUMGWDEOV-MDNUFGMLSA-N 0 3 416.452 4.494 50 0 HIAAHN Cc1ccc(-c2nocc2CCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000096386657 568743225 /nfs/dbraw/zinc/74/32/25/568743225.db2.gz IYGNBCCJIIGOLT-UHFFFAOYSA-N 0 3 403.526 4.363 50 0 HIAAHN Cc1noc(C)c1CCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057291569 568825939 /nfs/dbraw/zinc/82/59/39/568825939.db2.gz DHGNTNIVQUYNEV-UHFFFAOYSA-N 0 3 418.541 4.185 50 0 HIAAHN Cn1nc(-c2ccccc2)c(CNc2cccc(CN3CCC(O)CC3)c2)c1Cl ZINC000084303403 568945593 /nfs/dbraw/zinc/94/55/93/568945593.db2.gz ACYHMJMCOUDKCE-UHFFFAOYSA-N 0 3 410.949 4.309 50 0 HIAAHN Cc1cccc2sc(N(Cc3cccnc3)C(=O)C3COc4ccccc4O3)nc21 ZINC000004273227 568957647 /nfs/dbraw/zinc/95/76/47/568957647.db2.gz DOKDSFOEXQZMGM-IBGZPJMESA-N 0 3 417.490 4.373 50 0 HIAAHN CCOC(=O)c1ccccc1NC(=O)N(Cc1cccs1)C1CCN(CC)CC1 ZINC000015679750 568966820 /nfs/dbraw/zinc/96/68/20/568966820.db2.gz PIYCIDVZNIHISQ-UHFFFAOYSA-N 0 3 415.559 4.443 50 0 HIAAHN COc1cccc2cc(C(=O)NC[C@H](c3csc4ccccc43)N(C)C)c(=O)oc21 ZINC000575621721 569039018 /nfs/dbraw/zinc/03/90/18/569039018.db2.gz RUIZFDPGARLXJF-GOSISDBHSA-N 0 3 422.506 4.049 50 0 HIAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 ZINC000035560162 569044910 /nfs/dbraw/zinc/04/49/10/569044910.db2.gz PXCPWPGZKSHZBQ-QGZVFWFLSA-N 0 3 410.949 4.342 50 0 HIAAHN C[C@H]1CCCCN1CCNC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000035559914 569044940 /nfs/dbraw/zinc/04/49/40/569044940.db2.gz JTQIMXIRPCYUGB-KRWDZBQOSA-N 0 3 410.949 4.342 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1Cl ZINC000239306134 569054144 /nfs/dbraw/zinc/05/41/44/569054144.db2.gz GLUBGJJHSQFDME-NJDAHSKKSA-N 0 3 404.853 4.391 50 0 HIAAHN Cc1cc(C)cc(Oc2coc3cc(OC[C@@H](O)CN4CCCC4)ccc3c2=O)c1 ZINC000001810974 569056139 /nfs/dbraw/zinc/05/61/39/569056139.db2.gz UHWQDSFQLWQRHL-SFHVURJKSA-N 0 3 409.482 4.038 50 0 HIAAHN COC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036301596 569128025 /nfs/dbraw/zinc/12/80/25/569128025.db2.gz XAUYJQZGQUGYLQ-FQEVSTJZSA-N 0 3 409.530 4.097 50 0 HIAAHN Cc1cc2sc(N3CCC[C@H](C(=O)NCCN4CCCC[C@@H]4C)C3)nc2c(C)c1 ZINC000006821477 569140538 /nfs/dbraw/zinc/14/05/38/569140538.db2.gz WSCQJELSEOAECD-OALUTQOASA-N 0 3 414.619 4.120 50 0 HIAAHN CN(C)CCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000006834576 569148696 /nfs/dbraw/zinc/14/86/96/569148696.db2.gz ZXUBQRIYTBTJLJ-SFHVURJKSA-N 0 3 403.448 4.387 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)c3sc4nc(C)nc(C)c4c3C)cc2C)CC1 ZINC000036391623 569167171 /nfs/dbraw/zinc/16/71/71/569167171.db2.gz MATRXLMFNBOSIL-UHFFFAOYSA-N 0 3 423.586 4.319 50 0 HIAAHN Cc1ccc(N2CCN(C(=O)c3cccc4[nH]cc(CN5CCCC5)c43)CC2)cc1 ZINC000065135820 569184123 /nfs/dbraw/zinc/18/41/23/569184123.db2.gz FFAYSPOOJSMFSG-UHFFFAOYSA-N 0 3 402.542 4.035 50 0 HIAAHN CSc1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000006938189 569185306 /nfs/dbraw/zinc/18/53/06/569185306.db2.gz DKSCPICDRKYLTM-UHFFFAOYSA-N 0 3 418.566 4.260 50 0 HIAAHN O=C(Nc1cccc(F)c1)c1ccc(N2CC[C@@H](NCc3ccc(Cl)cc3)C2)nc1 ZINC000065257022 569208566 /nfs/dbraw/zinc/20/85/66/569208566.db2.gz AJKPKASUTTWREU-OAQYLSRUSA-N 0 3 424.907 4.495 50 0 HIAAHN COc1ccc([C@@H]2CC(c3ccccc3O)=NC3(CCN(C(C)C)CC3)N2)cc1OC ZINC000065298560 569219414 /nfs/dbraw/zinc/21/94/14/569219414.db2.gz PVUHSVJCOWYSNG-FQEVSTJZSA-N 0 3 423.557 4.134 50 0 HIAAHN Cc1ccc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)o1 ZINC000252508161 569291419 /nfs/dbraw/zinc/29/14/19/569291419.db2.gz XETMIDHBGUIGHO-UHFFFAOYSA-N 0 3 407.480 4.393 50 0 HIAAHN C[C@@H]1C[C@@H](NC(=O)COc2ccc(C(F)(F)F)cc2)CCN1Cc1ccccc1 ZINC000170654897 569295474 /nfs/dbraw/zinc/29/54/74/569295474.db2.gz QEGOEQSOVOAAGH-APWZRJJASA-N 0 3 406.448 4.254 50 0 HIAAHN CCN1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1cccc(Cl)c1 ZINC000002693633 569322286 /nfs/dbraw/zinc/32/22/86/569322286.db2.gz LQZKNWMBADXYCZ-UHFFFAOYSA-N 0 3 411.958 4.425 50 0 HIAAHN CC(C)Cc1nc2sc3c(ncnc3NCCN(C)C)c2c2c1COC(C)(C)C2 ZINC000002292286 569369417 /nfs/dbraw/zinc/36/94/17/569369417.db2.gz ZVKIHHOMMMVRTJ-UHFFFAOYSA-N 0 3 413.591 4.263 50 0 HIAAHN C[C@H](C(=O)N1CCc2[nH]c3ccccc3c2C1)N1CCC(Cc2ccccc2)CC1 ZINC000002318616 569374332 /nfs/dbraw/zinc/37/43/32/569374332.db2.gz BVAMEPRVGYJSFP-LJQANCHMSA-N 0 3 401.554 4.396 50 0 HIAAHN Cc1cc(-n2c(C)cc(/C=C/C(=O)NC3CCN(Cc4ccccc4)CC3)c2C)no1 ZINC000012979807 569405794 /nfs/dbraw/zinc/40/57/94/569405794.db2.gz GGPMTDNDEULYGN-MDZDMXLPSA-N 0 3 418.541 4.185 50 0 HIAAHN CCN1CCc2c(sc(-n3cccc3)c2CNC(=O)NCc2ccc(C)cc2)C1 ZINC000009151128 571230300 /nfs/dbraw/zinc/23/03/00/571230300.db2.gz HDUKWIFDQXTRFJ-UHFFFAOYSA-N 0 3 408.571 4.225 50 0 HIAAHN CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000010213882 571296700 /nfs/dbraw/zinc/29/67/00/571296700.db2.gz FFAAIEWCXYAZIE-SFHVURJKSA-N 0 3 411.889 4.034 50 0 HIAAHN CN(C)CCN(Cc1cc2cc3c(cc2nc1N(C)C)CCC3)C(=O)C1CCCCC1 ZINC000012131906 845856320 /nfs/dbraw/zinc/85/63/20/845856320.db2.gz MJFSPCCZJQQUPS-UHFFFAOYSA-N 0 3 422.617 4.260 50 0 HIAAHN CCOc1ccc(CN2CCC3(C[C@@H]3C(=O)NCCc3ccccc3OC)CC2)cc1 ZINC000012191976 845858660 /nfs/dbraw/zinc/85/86/60/845858660.db2.gz TVDMINIAUNURBV-HSZRJFAPSA-N 0 3 422.569 4.055 50 0 HIAAHN Cc1cc(CN2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)oc1C ZINC000012431826 845870263 /nfs/dbraw/zinc/87/02/63/845870263.db2.gz VUBQILGVBXLZGK-DEOSSOPVSA-N 0 3 423.601 4.233 50 0 HIAAHN COc1cccc(C[C@]2(CO)CCCN(CC3=Cc4cc(Cl)ccc4OC3)C2)c1 ZINC000012431035 845870587 /nfs/dbraw/zinc/87/05/87/845870587.db2.gz IMCXVUCDBLNIIV-XMMPIXPASA-N 0 3 413.945 4.442 50 0 HIAAHN COc1ccc([C@H](CNC(=O)/C=C\c2ccc3cc(OC)ccc3c2)N(C)C)cc1 ZINC000096904523 852557332 /nfs/dbraw/zinc/55/73/32/852557332.db2.gz RJHOJJMRZQFZEO-GWAASNHPSA-N 0 3 404.510 4.289 50 0 HIAAHN Cn1cccc1CN1CC[C@@H](Oc2ccccc2-c2nc(-c3ccccc3)no2)C1 ZINC000575314389 948642004 /nfs/dbraw/zinc/64/20/04/948642004.db2.gz JFEHPYYOBRNYRI-HXUWFJFHSA-N 0 3 400.482 4.395 50 0 HIAAHN CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2 ZINC000004908547 132293218 /nfs/dbraw/zinc/29/32/18/132293218.db2.gz PONLLOHPKYCQOD-FQEVSTJZSA-N 0 3 413.562 4.152 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)cc2)CC1 ZINC000011947678 132352566 /nfs/dbraw/zinc/35/25/66/132352566.db2.gz WYXGRNJEWHHNMV-UHFFFAOYSA-N 0 3 423.488 4.392 50 0 HIAAHN CCOC(=O)N1CCC(N[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)CC1 ZINC000040161201 520932571 /nfs/dbraw/zinc/93/25/71/520932571.db2.gz YETWNSPERBGSEE-QFIPXVFZSA-N 0 3 409.530 4.194 50 0 HIAAHN CCN(CC)c1nnc(-n2cccc2CNCc2cccc(Br)c2)s1 ZINC000020576657 520936033 /nfs/dbraw/zinc/93/60/33/520936033.db2.gz GEFALXTWNOWXNF-UHFFFAOYSA-N 0 3 420.380 4.227 50 0 HIAAHN CCN(Cc1cccc(F)c1)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000032802484 521346347 /nfs/dbraw/zinc/34/63/47/521346347.db2.gz NVFRJHRAPIOKOF-JOCHJYFZSA-N 0 3 401.526 4.449 50 0 HIAAHN COc1cc(CNCCCN2CCCC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000040742416 522447105 /nfs/dbraw/zinc/44/71/05/522447105.db2.gz QSOCGWLWGFTYBW-UHFFFAOYSA-N 0 3 416.949 4.338 50 0 HIAAHN COc1cc(CNCCn2ccnc2)cc(Br)c1OCc1ccccc1 ZINC000025359705 522456693 /nfs/dbraw/zinc/45/66/93/522456693.db2.gz DZEMKLQHCKYFMU-UHFFFAOYSA-N 0 3 416.319 4.023 50 0 HIAAHN COc1ccc([C@H](CNC(=O)c2cnn(-c3ccccc3C)c2C2CC2)N(C)C)cc1 ZINC000032203910 525359137 /nfs/dbraw/zinc/35/91/37/525359137.db2.gz XUSUFJVFCHKNQL-QHCPKHFHSA-N 0 3 418.541 4.099 50 0 HIAAHN C[C@H](O)CNCc1cc(Br)ccc1OCc1c(F)cccc1Cl ZINC000040744039 525781853 /nfs/dbraw/zinc/78/18/53/525781853.db2.gz VIWKLRBLKGELIH-NSHDSACASA-N 0 3 402.691 4.291 50 0 HIAAHN CSc1ccccc1CN1CCC(CNS(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000043959490 526157341 /nfs/dbraw/zinc/15/73/41/526157341.db2.gz KABCDXKFJYPXLD-DTQAZKPQSA-N 0 3 416.612 4.211 50 0 HIAAHN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccccc2F)s1 ZINC000002428825 557346712 /nfs/dbraw/zinc/34/67/12/557346712.db2.gz QUOLPLBYEBRCRH-SFHVURJKSA-N 0 3 421.453 4.404 50 0 HIAAHN O=C(COc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1)CC2)NC1CC1 ZINC000034671496 557362947 /nfs/dbraw/zinc/36/29/47/557362947.db2.gz FWCIXZXWMBAFOM-MHZLTWQESA-N 0 3 412.533 4.492 50 0 HIAAHN Cc1ccc(CN2CCCN(c3ccc(NC(=O)Cc4ccccc4)cn3)CC2)cc1 ZINC000034681752 557383615 /nfs/dbraw/zinc/38/36/15/557383615.db2.gz TTWBIAYWAHFUKQ-UHFFFAOYSA-N 0 3 414.553 4.284 50 0 HIAAHN Fc1ccccc1-c1ccc(CNCCCSc2nnnn2-c2ccccc2)o1 ZINC000009249997 557832637 /nfs/dbraw/zinc/83/26/37/557832637.db2.gz WLWHGLQYYOZZRC-UHFFFAOYSA-N 0 3 409.490 4.333 50 0 HIAAHN Cc1ccc(C)c(-c2n[nH]cc2CN2CCC[C@@H](CNC(=O)c3cccs3)C2)c1 ZINC000011661150 558265045 /nfs/dbraw/zinc/26/50/45/558265045.db2.gz PRMIRESXIUKQTI-SFHVURJKSA-N 0 3 408.571 4.397 50 0 HIAAHN O=C(NCc1cccnc1)c1cccc(OC2CCN(Cc3ccccc3)CC2)c1 ZINC000011668114 558269769 /nfs/dbraw/zinc/26/97/69/558269769.db2.gz IWLGVNNYBBCJON-UHFFFAOYSA-N 0 3 401.510 4.055 50 0 HIAAHN Cc1c([C@H](C)NC2CCN(Cc3ccccn3)CC2)cnn1-c1ccc(F)cc1F ZINC000011668181 558270007 /nfs/dbraw/zinc/27/00/07/558270007.db2.gz FPUZFZQRFMKRNP-INIZCTEOSA-N 0 3 411.500 4.169 50 0 HIAAHN CC(C)OCCCNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000011839770 558286243 /nfs/dbraw/zinc/28/62/43/558286243.db2.gz LYLLKIVEJRZAFN-UHFFFAOYSA-N 0 3 424.585 4.317 50 0 HIAAHN Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CCCN(CCc4ccccc4)C3)[nH]n2)s1 ZINC000011934605 558298930 /nfs/dbraw/zinc/29/89/30/558298930.db2.gz MLDJTVXLEOOJPF-IBGZPJMESA-N 0 3 408.571 4.226 50 0 HIAAHN Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCCN(CCc4ccccc4)C3)[nH]n2)s1 ZINC000011934604 558298955 /nfs/dbraw/zinc/29/89/55/558298955.db2.gz MLDJTVXLEOOJPF-LJQANCHMSA-N 0 3 408.571 4.226 50 0 HIAAHN O=C(c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)N1CCN2CCC[C@@H]2C1 ZINC000011935619 558299822 /nfs/dbraw/zinc/29/98/22/558299822.db2.gz JFKPMOMFTREORO-OAHLLOKOSA-N 0 3 420.460 4.002 50 0 HIAAHN COc1ccc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cc1C ZINC000011999041 558307708 /nfs/dbraw/zinc/30/77/08/558307708.db2.gz HEPOMBJWPYSWJQ-UHFFFAOYSA-N 0 3 422.504 4.429 50 0 HIAAHN O=C(NC[C@H]1CCC2(CCN(Cc3ccc(F)cc3)CC2)O1)c1cccc(F)c1F ZINC000012054867 558315390 /nfs/dbraw/zinc/31/53/90/558315390.db2.gz ORTSCYPRVAFWPF-GOSISDBHSA-N 0 3 418.459 4.048 50 0 HIAAHN CCCCc1nc(CN2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c[nH]1 ZINC000020138444 558338221 /nfs/dbraw/zinc/33/82/21/558338221.db2.gz GJBIYNRDQTUSEQ-JOCHJYFZSA-N 0 3 416.013 4.192 50 0 HIAAHN CCCCc1ncc(CN2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)[nH]1 ZINC000020138444 558338224 /nfs/dbraw/zinc/33/82/24/558338224.db2.gz GJBIYNRDQTUSEQ-JOCHJYFZSA-N 0 3 416.013 4.192 50 0 HIAAHN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2cccc3nonc32)CC1 ZINC000012203792 558352010 /nfs/dbraw/zinc/35/20/10/558352010.db2.gz RKSUEYKGQTUXGH-UHFFFAOYSA-N 0 3 413.905 4.264 50 0 HIAAHN CC(=O)c1cccc(CN2CCC[C@@H](C(=O)Nc3ccc(-n4ccnc4C)cc3)C2)c1 ZINC000012206878 558353097 /nfs/dbraw/zinc/35/30/97/558353097.db2.gz BPFZJKQSGWDIEV-JOCHJYFZSA-N 0 3 416.525 4.234 50 0 HIAAHN CN(CCc1ccccn1)[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000012300425 558370380 /nfs/dbraw/zinc/37/03/80/558370380.db2.gz IURMVSXIHAUGCJ-QGZVFWFLSA-N 0 3 406.452 4.271 50 0 HIAAHN COc1cccc(NC(=O)CCC2CCN(Cc3ccc(F)c(OC)c3)CC2)c1 ZINC000012314634 558378056 /nfs/dbraw/zinc/37/80/56/558378056.db2.gz IZVFWLFIBAACOM-UHFFFAOYSA-N 0 3 400.494 4.474 50 0 HIAAHN OC[C@@]1(CCOc2ccccc2)CCCN(Cc2cc(F)ccc2-n2cccn2)C1 ZINC000012386483 558395310 /nfs/dbraw/zinc/39/53/10/558395310.db2.gz BRWACGBABGOOBO-XMMPIXPASA-N 0 3 409.505 4.055 50 0 HIAAHN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccc4ccccc4n3)C2)CC1 ZINC000020780580 558412582 /nfs/dbraw/zinc/41/25/82/558412582.db2.gz HWSRVXMADSQESV-HSZRJFAPSA-N 0 3 416.569 4.030 50 0 HIAAHN CCCOc1c(Br)cc(CNC[C@@H](O)c2ccccc2)cc1OCC ZINC000020932478 558424067 /nfs/dbraw/zinc/42/40/67/558424067.db2.gz RPISRWPEQLDSNT-GOSISDBHSA-N 0 3 408.336 4.460 50 0 HIAAHN COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(Cc3cc4ccccc4o3)C2)c1 ZINC000012592122 558436095 /nfs/dbraw/zinc/43/60/95/558436095.db2.gz BQLNBHVKRBHMAX-QGZVFWFLSA-N 0 3 408.498 4.092 50 0 HIAAHN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000013069460 558511035 /nfs/dbraw/zinc/51/10/35/558511035.db2.gz LFCMDTGUBDFYED-FGTMMUONSA-N 0 3 409.530 4.252 50 0 HIAAHN CC(C)(CO)NCc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730630 558586416 /nfs/dbraw/zinc/58/64/16/558586416.db2.gz ZKFJIUJWAMDTIN-UHFFFAOYSA-N 0 3 403.114 4.332 50 0 HIAAHN C[C@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc2ccccc2c1 ZINC000014123961 558622713 /nfs/dbraw/zinc/62/27/13/558622713.db2.gz BYDXFJNVLOKYTQ-HNNXBMFYSA-N 0 3 405.889 4.363 50 0 HIAAHN Cc1nc(COc2ccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)cc2)cs1 ZINC000014140240 558624809 /nfs/dbraw/zinc/62/48/09/558624809.db2.gz ALBSXEXDZNXWRR-FQEVSTJZSA-N 0 3 407.539 4.035 50 0 HIAAHN CC(C)CN1C(=O)N(Cc2ccccc2)C2(CCN(CCc3ccccc3)CC2)C1=O ZINC000014536550 558658467 /nfs/dbraw/zinc/65/84/67/558658467.db2.gz JYQFCVSZLKYZNW-UHFFFAOYSA-N 0 3 419.569 4.184 50 0 HIAAHN COc1cc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc(OC)c1OC ZINC000027662533 558678417 /nfs/dbraw/zinc/67/84/17/558678417.db2.gz DQXBDAVGCFFOMF-QGZVFWFLSA-N 0 3 418.559 4.121 50 0 HIAAHN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C2CSCCSC2)C1 ZINC000014959264 558683419 /nfs/dbraw/zinc/68/34/19/558683419.db2.gz ROLSIBISDSOXEZ-HXUWFJFHSA-N 0 3 415.571 4.001 50 0 HIAAHN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3ccc(C)s3)CC2)c1 ZINC000014970073 558687140 /nfs/dbraw/zinc/68/71/40/558687140.db2.gz FROFKYIMRFKVNR-UHFFFAOYSA-N 0 3 414.571 4.345 50 0 HIAAHN Cc1ccc(F)cc1CN1C(=O)CC[C@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000014998118 558696797 /nfs/dbraw/zinc/69/67/97/558696797.db2.gz UIEGXHSOCTVUIA-SFHVURJKSA-N 0 3 418.896 4.187 50 0 HIAAHN CN(C)c1ncc(CN2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)s1 ZINC000015061904 558705173 /nfs/dbraw/zinc/70/51/73/558705173.db2.gz JQYLWLUNGVTBPY-UHFFFAOYSA-N 0 3 421.010 4.171 50 0 HIAAHN O=C(CC[C@H]1CCCN(Cc2ccsc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000015064660 558707534 /nfs/dbraw/zinc/70/75/34/558707534.db2.gz NWGUWXVIWIMIOX-JOCHJYFZSA-N 0 3 411.615 4.085 50 0 HIAAHN CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NCc2ccc(N3CCNC3=O)cc2)C1 ZINC000015066450 558709351 /nfs/dbraw/zinc/70/93/51/558709351.db2.gz FCMWGWFVFZACIG-JOCHJYFZSA-N 0 3 415.541 4.205 50 0 HIAAHN CCc1c(C(=O)N[C@H]2CCCc3ccccc32)c(=O)cc(C)n1CCN1CCCCC1 ZINC000015069605 558711841 /nfs/dbraw/zinc/71/18/41/558711841.db2.gz HZZHRSSGQIXXFY-QFIPXVFZSA-N 0 3 421.585 4.012 50 0 HIAAHN CCCCNC(=O)C1CCN(Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000004552827 558720451 /nfs/dbraw/zinc/72/04/51/558720451.db2.gz RRIBYMLLCYBDDJ-UHFFFAOYSA-N 0 3 410.558 4.403 50 0 HIAAHN COc1ccc(CN[C@H](C)c2ccc(-n3cncn3)cc2)cc1OCc1cccnc1 ZINC000030545452 558732343 /nfs/dbraw/zinc/73/23/43/558732343.db2.gz DXFCEKZFZBYONI-GOSISDBHSA-N 0 3 415.497 4.101 50 0 HIAAHN CC(C)[C@H](N[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C(C)(C)C)cc1 ZINC000011096405 558762390 /nfs/dbraw/zinc/76/23/90/558762390.db2.gz QLYYYJBKOQHTKP-VFNWGFHPSA-N 0 3 408.546 4.468 50 0 HIAAHN O=C(NCCN1CCCCCC1)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033010657 558830020 /nfs/dbraw/zinc/83/00/20/558830020.db2.gz OUQKGPGOKGXNNA-UHFFFAOYSA-N 0 3 415.541 4.493 50 0 HIAAHN Cc1c(CN2CCC(c3nc4ccccc4s3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000033034115 558858298 /nfs/dbraw/zinc/85/82/98/558858298.db2.gz KDXXTZILYOQLAX-UHFFFAOYSA-N 0 3 418.566 4.474 50 0 HIAAHN CCCN1CCN(c2ncnc3sc(C(=O)Nc4ccc(CC)cc4)c(C)c32)CC1 ZINC000033048395 558885592 /nfs/dbraw/zinc/88/55/92/558885592.db2.gz NNBIBIBPYITIJY-UHFFFAOYSA-N 0 3 423.586 4.346 50 0 HIAAHN O=C(c1cn2ccccc2n1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000058081157 558898082 /nfs/dbraw/zinc/89/80/82/558898082.db2.gz NNEUHUHCZNJKQE-UHFFFAOYSA-N 0 3 417.340 4.379 50 0 HIAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000004687516 558898146 /nfs/dbraw/zinc/89/81/46/558898146.db2.gz QDBQYHHHPMSIHH-JVDNRXPZSA-N 0 3 421.566 4.376 50 0 HIAAHN Cc1c(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cnn1-c1cccc(Cl)c1 ZINC000058130800 558900382 /nfs/dbraw/zinc/90/03/82/558900382.db2.gz SYVMXEJQABWLPM-HXUWFJFHSA-N 0 3 422.960 4.476 50 0 HIAAHN CC1CCN(CCNC(=O)c2ccc(Nc3ccc(-c4ccccc4)nn3)cc2)CC1 ZINC000033257033 558923965 /nfs/dbraw/zinc/92/39/65/558923965.db2.gz HWUINBLGWFGJGZ-UHFFFAOYSA-N 0 3 415.541 4.349 50 0 HIAAHN CCN(CC)[C@H](CNC(=O)Cn1c(CSC)nc2ccccc21)c1ccsc1 ZINC000058954635 558930992 /nfs/dbraw/zinc/93/09/92/558930992.db2.gz MXZNEYFAHIQWCD-LJQANCHMSA-N 0 3 416.616 4.160 50 0 HIAAHN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C2CSCCSC2)CC1 ZINC000059434679 558936367 /nfs/dbraw/zinc/93/63/67/558936367.db2.gz LNWDLINPEWPOII-UHFFFAOYSA-N 0 3 414.036 4.376 50 0 HIAAHN CC(C)(CNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CCCCC1 ZINC000011594769 559112840 /nfs/dbraw/zinc/11/28/40/559112840.db2.gz UJFFDWKPOXZBFC-UHFFFAOYSA-N 0 3 404.514 4.398 50 0 HIAAHN Cc1cc(C)c(CN2CCN(c3cc(-c4ccccc4)nc4ncnn43)CC2)c(C)c1 ZINC000023447699 559175545 /nfs/dbraw/zinc/17/55/45/559175545.db2.gz VZTPICIRKWFJFZ-UHFFFAOYSA-N 0 3 412.541 4.039 50 0 HIAAHN COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CCN(C(C)C)CC2)c1 ZINC000005092063 559243877 /nfs/dbraw/zinc/24/38/77/559243877.db2.gz MYQZDOWJGANELZ-QFIPXVFZSA-N 0 3 421.541 4.448 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000136627681 559277827 /nfs/dbraw/zinc/27/78/27/559277827.db2.gz KLLBZQNNBYKXME-PWRODBHTSA-N 0 3 404.853 4.391 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000137391201 559280057 /nfs/dbraw/zinc/28/00/57/559280057.db2.gz AKDBBUXGUHMDLV-PCCBWWKXSA-N 0 3 420.852 4.097 50 0 HIAAHN CCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccc(Cl)c(Cl)c1 ZINC000143587685 560542715 /nfs/dbraw/zinc/54/27/15/560542715.db2.gz XOGPKSZIPVZNBU-FGTMMUONSA-N 0 3 405.281 4.472 50 0 HIAAHN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N(C)C2CCN(C)CC2)cc1 ZINC000002659942 560587336 /nfs/dbraw/zinc/58/73/36/560587336.db2.gz AZNARUPWEAANGY-BUHFOSPRSA-N 0 3 414.553 4.414 50 0 HIAAHN CCN1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000101214061 560790097 /nfs/dbraw/zinc/79/00/97/560790097.db2.gz JHAJKFXBYGVRCK-UHFFFAOYSA-N 0 3 421.010 4.160 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)cc1C ZINC000102663071 560819305 /nfs/dbraw/zinc/81/93/05/560819305.db2.gz AOEICVJWOJBSDO-DNVJHFABSA-N 0 3 416.452 4.494 50 0 HIAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1=O ZINC000102757986 560825991 /nfs/dbraw/zinc/82/59/91/560825991.db2.gz NSWXOHWQFKYLJZ-RJGXRXQPSA-N 0 3 414.461 4.136 50 0 HIAAHN CN(C[C@@H](O)COCc1ccc2c(c1)OCO2)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000104805806 560855084 /nfs/dbraw/zinc/85/50/84/560855084.db2.gz IDPPVBCRAKJMDN-RCZVLFRGSA-N 0 3 423.484 4.153 50 0 HIAAHN CCc1cccc(-n2nc(C)c3c2NC(=O)CC3C(=O)c2cc(OC)ccc2OC)c1 ZINC000046057369 568426222 /nfs/dbraw/zinc/42/62/22/568426222.db2.gz VCARGOZXNBWZEQ-LJQANCHMSA-N 0 3 419.481 4.069 50 0 HIAAHN COc1c(Br)cc(Br)cc1CNC[C@@H](O)c1ccccc1 ZINC000022074806 568473940 /nfs/dbraw/zinc/47/39/40/568473940.db2.gz ZHZITHYDQFFLFH-OAHLLOKOSA-N 0 3 415.125 4.043 50 0 HIAAHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)C1 ZINC000222058417 568513932 /nfs/dbraw/zinc/51/39/32/568513932.db2.gz ITDHDBLCBYQMEP-JXFKEZNVSA-N 0 3 414.937 4.262 50 0 HIAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)CC4=CCCCC4)C3)C2)c1OC ZINC000014980959 568581501 /nfs/dbraw/zinc/58/15/01/568581501.db2.gz KSHGIPCEWZZJPB-VWLOTQADSA-N 0 3 412.574 4.409 50 0 HIAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3C=C12 ZINC000020111193 568588422 /nfs/dbraw/zinc/58/84/22/568588422.db2.gz YPMLFSMYZFGFFZ-ZSNBAVAXSA-N 0 3 408.586 4.118 50 0 HIAAHN CCC1=Nc2cc(C(=O)NCCCN3CCN(C)CC3)ccc2Sc2ccccc21 ZINC000020178838 568593140 /nfs/dbraw/zinc/59/31/40/568593140.db2.gz RRAMVFRSFGWWME-UHFFFAOYSA-N 0 3 422.598 4.049 50 0 HIAAHN CN1CCN(CCCNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)CC1 ZINC000020436387 568607218 /nfs/dbraw/zinc/60/72/18/568607218.db2.gz XQBQSUSUIVHSIQ-UHFFFAOYSA-N 0 3 422.019 4.042 50 0 HIAAHN CN1CCN(CCc2cccc(NC(=O)[C@H]3C[C@H]3c3ccc4ccccc4c3)c2)CC1 ZINC000095457786 568618580 /nfs/dbraw/zinc/61/85/80/568618580.db2.gz XWTDBUHFUKATNV-UIOOFZCWSA-N 0 3 413.565 4.372 50 0 HIAAHN Cc1cc(C)nc(Nc2cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2)n1 ZINC000095474743 568629526 /nfs/dbraw/zinc/62/95/26/568629526.db2.gz VARXLACQHUJTAI-UHFFFAOYSA-N 0 3 415.541 4.231 50 0 HIAAHN Cc1cccc(-n2ncc(C(=O)N3CCN(C4CCCCC4)CC3)c2-n2cccc2)c1 ZINC000020979834 568654593 /nfs/dbraw/zinc/65/45/93/568654593.db2.gz AMWGERXNNXDMQH-UHFFFAOYSA-N 0 3 417.557 4.062 50 0 HIAAHN Cc1cccc(-c2nc(CC(=O)N[C@@H]3CN(Cc4ccccc4)C[C@@H]3C)cs2)c1 ZINC000095943232 568662639 /nfs/dbraw/zinc/66/26/39/568662639.db2.gz QPBUBGNWRFKWKO-PGRDOPGGSA-N 0 3 405.567 4.298 50 0 HIAAHN Cc1ccc(CN2CCC(CNC(=O)c3cccc4c3SCCC4=O)CC2)cc1 ZINC000021103193 568666628 /nfs/dbraw/zinc/66/66/28/568666628.db2.gz VRANCDRRJFQLMT-UHFFFAOYSA-N 0 3 408.567 4.316 50 0 HIAAHN Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)C2ON1c1ccccc1 ZINC000226830229 568698002 /nfs/dbraw/zinc/69/80/02/568698002.db2.gz ILPVRDSCXQFLTK-BHDDXSALSA-N 0 3 402.425 4.185 50 0 HIAAHN CCN1CCC[C@H]1CNCc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000261492001 568820383 /nfs/dbraw/zinc/82/03/83/568820383.db2.gz PAGHGLYUUOVXKT-FQEVSTJZSA-N 0 3 409.965 4.221 50 0 HIAAHN Cc1cccc(-c2nc(CC(=O)N[C@H]3CN(Cc4ccccc4)C[C@H]3C)cs2)c1 ZINC000230250232 568856813 /nfs/dbraw/zinc/85/68/13/568856813.db2.gz QPBUBGNWRFKWKO-GCJKJVERSA-N 0 3 405.567 4.298 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)NCc3cccc(C(F)(F)F)c3)cc2C)CC1 ZINC000057866360 568864398 /nfs/dbraw/zinc/86/43/98/568864398.db2.gz QLAQRLHNLIRDID-UHFFFAOYSA-N 0 3 420.479 4.477 50 0 HIAAHN COc1cccc(-n2c(SC)nnc2C2CCN(Cc3cccs3)CC2)c1 ZINC000299776579 568874838 /nfs/dbraw/zinc/87/48/38/568874838.db2.gz DGKSGABFRJEPBW-UHFFFAOYSA-N 0 3 400.573 4.439 50 0 HIAAHN O=C(N[C@H]1CCN(C2CC2)C1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC000084419147 568948889 /nfs/dbraw/zinc/94/88/89/568948889.db2.gz JUHHRNPTLBWVSN-HNNXBMFYSA-N 0 3 419.294 4.347 50 0 HIAAHN Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccccc1CN1CCCCC1 ZINC000012819644 568991381 /nfs/dbraw/zinc/99/13/81/568991381.db2.gz SIWZTPJDLPUXTI-UHFFFAOYSA-N 0 3 403.526 4.495 50 0 HIAAHN Cc1ccc(CN2CCC(CNC(=O)c3[nH]nc4c3CCc3ccccc3-4)CC2)cc1 ZINC000015772814 568998818 /nfs/dbraw/zinc/99/88/18/568998818.db2.gz DBTUQLCLEDAOHH-UHFFFAOYSA-N 0 3 414.553 4.126 50 0 HIAAHN CC(C)[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccccc1 ZINC000012877664 569013945 /nfs/dbraw/zinc/01/39/45/569013945.db2.gz MQJFIJWKYSWBOQ-RXVVDRJESA-N 0 3 419.447 4.280 50 0 HIAAHN CC(C)[C@@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccccc1 ZINC000012877657 569013995 /nfs/dbraw/zinc/01/39/95/569013995.db2.gz MQJFIJWKYSWBOQ-GHTZIAJQSA-N 0 3 419.447 4.280 50 0 HIAAHN C[C@@H](N[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 ZINC000012918866 569022719 /nfs/dbraw/zinc/02/27/19/569022719.db2.gz FHHRRKLWAQTGMQ-MSOLQXFVSA-N 0 3 402.494 4.438 50 0 HIAAHN Cc1ccc(OCCN(C)Cc2cc(=O)oc3cc(Br)ccc23)cc1 ZINC000012926378 569023806 /nfs/dbraw/zinc/02/38/06/569023806.db2.gz ABEMAEBBYXLODN-UHFFFAOYSA-N 0 3 402.288 4.375 50 0 HIAAHN CCN(CC)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000012927693 569023967 /nfs/dbraw/zinc/02/39/67/569023967.db2.gz JXWJDGDNNAEWFI-GGAORHGYSA-N 0 3 422.573 4.130 50 0 HIAAHN CN(C)[C@@H](CNC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1csc2ccccc21 ZINC000575621542 569039074 /nfs/dbraw/zinc/03/90/74/569039074.db2.gz PMCXSQIPDBAAIU-NRFANRHFSA-N 0 3 422.529 4.474 50 0 HIAAHN Cc1ccc2c(CN(C)CCOc3ccc(Br)cc3)cc(=O)oc2c1 ZINC000013013587 569050909 /nfs/dbraw/zinc/05/09/09/569050909.db2.gz LKDSDUYKCQHYRP-UHFFFAOYSA-N 0 3 402.288 4.375 50 0 HIAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000135841899 569053616 /nfs/dbraw/zinc/05/36/16/569053616.db2.gz YDFNFNCLYUEFQC-RJGXRXQPSA-N 0 3 416.452 4.439 50 0 HIAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000135950181 569053688 /nfs/dbraw/zinc/05/36/88/569053688.db2.gz RUFOYNQSJVCYMU-RJGXRXQPSA-N 0 3 414.461 4.006 50 0 HIAAHN Cc1ccc(-c2nc(CS(=O)(=O)C(C)C(=O)N[C@@H]3CCCC[C@H]3C)cs2)cc1 ZINC000239527621 569054488 /nfs/dbraw/zinc/05/44/88/569054488.db2.gz ATLXIDZNSBJQFW-GPMSIDNRSA-N 0 3 420.600 4.117 50 0 HIAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4C)[C@H]3C2=O)cc1 ZINC000245309707 569055730 /nfs/dbraw/zinc/05/57/30/569055730.db2.gz FSJBFYBIIHAIFO-DNVJHFABSA-N 0 3 414.461 4.055 50 0 HIAAHN Cc1oc2c(c1C(=O)N1CC[C@@]3(C1)CCCN(CCc1ccccc1)C3)C(=O)CCC2 ZINC000426368154 569072541 /nfs/dbraw/zinc/07/25/41/569072541.db2.gz BDIBNPNRMUGWMJ-SANMLTNESA-N 0 3 420.553 4.278 50 0 HIAAHN CCn1cc([C@@H](CC(=O)NCCN2CCCC2)c2cccc(OC)c2)c2ccccc21 ZINC000006712306 569097312 /nfs/dbraw/zinc/09/73/12/569097312.db2.gz YWNQUHORTAUEOK-QHCPKHFHSA-N 0 3 419.569 4.404 50 0 HIAAHN O[C@@H](Cc1ccccc1)CN(Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146231 569098613 /nfs/dbraw/zinc/09/86/13/569098613.db2.gz HJZYRRJFNFLEPM-GOTSBHOMSA-N 0 3 418.512 4.425 50 0 HIAAHN COC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C ZINC000036308090 569130177 /nfs/dbraw/zinc/13/01/77/569130177.db2.gz ASRMMHZKTCHYKI-NRFANRHFSA-N 0 3 423.557 4.345 50 0 HIAAHN CC[C@@H](C)N(CCNC(=O)c1nn(C)c2c1CSc1ccccc1-2)Cc1ccco1 ZINC000006817722 569138762 /nfs/dbraw/zinc/13/87/62/569138762.db2.gz AJDYIALKZCPRRB-MRXNPFEDSA-N 0 3 424.570 4.316 50 0 HIAAHN CN(C)CCNC(=O)C[C@@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000006834578 569148677 /nfs/dbraw/zinc/14/86/77/569148677.db2.gz ZXUBQRIYTBTJLJ-GOSISDBHSA-N 0 3 403.448 4.387 50 0 HIAAHN CC(C)c1nc(-n2cccc2)sc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000065118585 569182109 /nfs/dbraw/zinc/18/21/09/569182109.db2.gz OQGSDZCQYSXOIG-UHFFFAOYSA-N 0 3 408.571 4.452 50 0 HIAAHN Cc1ccc(-c2ncc(C(=O)NCCN3CCCCCC3)c(-c3ccncc3)n2)cc1 ZINC000065153908 569187653 /nfs/dbraw/zinc/18/76/53/569187653.db2.gz ADEPDVRRVDNISV-UHFFFAOYSA-N 0 3 415.541 4.120 50 0 HIAAHN O=C(Nc1ccccc1)c1ccc(N2CC[C@@H](NCc3ccc(Cl)cc3)C2)nc1 ZINC000065256974 569208549 /nfs/dbraw/zinc/20/85/49/569208549.db2.gz RECNOCWUXUGHHK-OAQYLSRUSA-N 0 3 406.917 4.356 50 0 HIAAHN Cc1cccc(CN2CCC(NC(=O)COc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000089669485 569262202 /nfs/dbraw/zinc/26/22/02/569262202.db2.gz NAJMVFKHOVBFFS-UHFFFAOYSA-N 0 3 406.448 4.173 50 0 HIAAHN COc1cccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCCCC2)c1 ZINC000016993922 569270888 /nfs/dbraw/zinc/27/08/88/569270888.db2.gz CYYVXLKZTDFAMN-QHCPKHFHSA-N 0 3 408.498 4.088 50 0 HIAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(Cn2nc(C)cc2C)c1 ZINC000002126366 569286213 /nfs/dbraw/zinc/28/62/13/569286213.db2.gz KOTONNGISRFNAM-XMMPIXPASA-N 0 3 416.525 4.282 50 0 biogenic HIAAHN C[C@H]1C[C@H](NC(=O)COc2ccc(C(F)(F)F)cc2)CCN1Cc1ccccc1 ZINC000170654895 569295368 /nfs/dbraw/zinc/29/53/68/569295368.db2.gz QEGOEQSOVOAAGH-QFBILLFUSA-N 0 3 406.448 4.254 50 0 HIAAHN OCCN1CCN(CC/C=C2\c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000195751173 569314163 /nfs/dbraw/zinc/31/41/63/569314163.db2.gz JLEXAIZTZXJDTI-AERZKKPOSA-N 0 3 415.002 4.377 50 0 HIAAHN CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(CC)CC)c1 ZINC000002235097 569321298 /nfs/dbraw/zinc/32/12/98/569321298.db2.gz CVUFXTDUEOOAER-JOCHJYFZSA-N 0 3 420.509 4.079 50 0 HIAAHN CCc1ccc([C@@H](CNC(=O)c2cccc(OCc3cscn3)c2)N(C)C)cc1 ZINC000027597535 569375783 /nfs/dbraw/zinc/37/57/83/569375783.db2.gz JEWGQECZGRXFMR-JOCHJYFZSA-N 0 3 409.555 4.317 50 0 HIAAHN COc1cc(CNCCc2c[nH]cn2)cc(Br)c1OCc1ccccc1 ZINC000078869794 569420994 /nfs/dbraw/zinc/42/09/94/569420994.db2.gz QCKPCHKTHBWWBN-UHFFFAOYSA-N 0 3 416.319 4.092 50 0 HIAAHN CCN(C(=O)Nc1ccc(NC(C)=O)c(OC)c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000079067723 569426579 /nfs/dbraw/zinc/42/65/79/569426579.db2.gz JVNZEMYXBWEJSX-UWJYYQICSA-N 0 3 424.545 4.343 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)cc2)CC1 ZINC000040087400 571157915 /nfs/dbraw/zinc/15/79/15/571157915.db2.gz GNEGTXCWPIHQJV-UHFFFAOYSA-N 0 3 410.905 4.389 50 0 HIAAHN CN(C)[C@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)Cc1ccccc1 ZINC000009377857 571253122 /nfs/dbraw/zinc/25/31/22/571253122.db2.gz PORUETWUMUILJZ-NRFANRHFSA-N 0 3 410.521 4.200 50 0 HIAAHN Fc1ccc(CN2CCC[C@]3(CCN(Cc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000011842657 845838089 /nfs/dbraw/zinc/83/80/89/845838089.db2.gz UZQVVBJWSJYGHH-DEOSSOPVSA-N 0 3 406.505 4.364 50 0 HIAAHN COc1ccccc1CN1C[C@@H]2C[C@@H](/C=C/c3ccc(F)cc3)N3CCC[C@@]23C1=O ZINC000012373126 845868548 /nfs/dbraw/zinc/86/85/48/845868548.db2.gz DVOVXGZQPXRHEP-PLMJGLBUSA-N 0 3 406.501 4.113 50 0 HIAAHN CCN(CCN(C)C)C(=O)c1sc2ncnc(N[C@@H](C)c3cccs3)c2c1C ZINC000015071175 846004947 /nfs/dbraw/zinc/00/49/47/846004947.db2.gz ORAZKSACRWDMSE-AWEZNQCLSA-N 0 3 417.604 4.258 50 0 HIAAHN COC(=O)Cn1cc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)c2ccccc21 ZINC000015074418 846006500 /nfs/dbraw/zinc/00/65/00/846006500.db2.gz YERWZNGDSMWYSZ-QGZVFWFLSA-N 0 3 402.498 4.159 50 0 HIAAHN CCCC(CCC)C(=O)N1CCC2(CC1)NCCCN=C2Nc1cccc(F)c1 ZINC000409419925 855484212 /nfs/dbraw/zinc/48/42/12/855484212.db2.gz DRZQUOFZSOYOQS-UHFFFAOYSA-N 0 3 402.558 4.207 50 0 HIAAHN CSc1nc2c3c4c(c(CC(C)C)nc3sc2c(N2CCNCC2)n1)CCC4 ZINC000005156794 132303476 /nfs/dbraw/zinc/30/34/76/132303476.db2.gz LUBXWZLTWIOIGL-UHFFFAOYSA-N 0 3 413.616 4.058 50 0 HIAAHN CCOc1cc(CNCCCO)cc(Br)c1OCc1ccccc1C ZINC000040743802 520712795 /nfs/dbraw/zinc/71/27/95/520712795.db2.gz RPPHESWIXJQIRI-UHFFFAOYSA-N 0 3 408.336 4.207 50 0 HIAAHN COc1ccc(/C=C/CN2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000020541785 523406358 /nfs/dbraw/zinc/40/63/58/523406358.db2.gz BDDMKBPOKRJURF-JWZSXRADSA-N 0 3 409.549 4.134 50 0 HIAAHN CN(Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1=S)C1CCN(C)CC1 ZINC000023968076 523618404 /nfs/dbraw/zinc/61/84/04/523618404.db2.gz DUCZZSUFUGGUEM-UHFFFAOYSA-N 0 3 411.550 4.193 50 0 HIAAHN Cc1cccc(N2CCN(CCCCNC(=O)CCc3ccccc3Cl)CC2)c1 ZINC000032066405 524554692 /nfs/dbraw/zinc/55/46/92/524554692.db2.gz ARHDFSGNEUJDGO-UHFFFAOYSA-N 0 3 413.993 4.300 50 0 HIAAHN COc1ccc2[nH]c(CN3CCC[C@@H](N4CCN(c5ccccc5)CC4)C3)c(C)c2c1 ZINC000020600340 525480448 /nfs/dbraw/zinc/48/04/48/525480448.db2.gz QRGVVBSBURSORU-JOCHJYFZSA-N 0 3 418.585 4.272 50 0 HIAAHN C[C@@H](O)CNCc1cc(Br)ccc1OCc1c(F)cccc1Cl ZINC000040744040 525804680 /nfs/dbraw/zinc/80/46/80/525804680.db2.gz VIWKLRBLKGELIH-LLVKDONJSA-N 0 3 402.691 4.291 50 0 HIAAHN C[C@H](OC[C@H](O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000032865539 525911015 /nfs/dbraw/zinc/91/10/15/525911015.db2.gz VMOKLPZUULCAMG-LRXVAGHRSA-N 0 3 416.949 4.129 50 0 HIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2c3c(ccc2Cl)OCCn13 ZINC000020559970 527531669 /nfs/dbraw/zinc/53/16/69/527531669.db2.gz DWINVLRNQYTFOJ-UHFFFAOYSA-N 0 3 409.917 4.082 50 0 HIAAHN Cc1nn(-c2ncccn2)c2c1C(C(=O)c1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000032094196 527573016 /nfs/dbraw/zinc/57/30/16/527573016.db2.gz ZWRLHAPJEPAPBC-LLVKDONJSA-N 0 3 402.241 4.236 50 0 HIAAHN CCCOc1c(Br)cc(Br)cc1CNC[C@@H]1CCCO1 ZINC000020929664 558423867 /nfs/dbraw/zinc/42/38/67/558423867.db2.gz HFDFVBWLXGABNI-ZDUSSCGKSA-N 0 3 407.146 4.269 50 0 HIAAHN NC(=O)c1ccc(CN2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)cc1 ZINC000071889325 557294278 /nfs/dbraw/zinc/29/42/78/557294278.db2.gz VLWVJBYLSSDOCO-DEOSSOPVSA-N 0 3 419.569 4.083 50 0 HIAAHN COCCN(C[C@@H]1CN(Cc2ccc(C)o2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740523 557444052 /nfs/dbraw/zinc/44/40/52/557444052.db2.gz XMJZRTUJAVPONG-REWPJTCUSA-N 0 3 416.537 4.074 50 0 HIAAHN CCN(CC)CCSCC(=O)Nc1c(=O)c2ccccc2oc1-c1ccccc1 ZINC000003126977 557448960 /nfs/dbraw/zinc/44/89/60/557448960.db2.gz JFONCCGSMVXRRU-UHFFFAOYSA-N 0 3 410.539 4.474 50 0 HIAAHN CCCN1CCC(N(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C2CC2)CC1 ZINC000004241104 557531443 /nfs/dbraw/zinc/53/14/43/557531443.db2.gz VAGGXQINFJWBRW-UHFFFAOYSA-N 0 3 405.542 4.418 50 0 HIAAHN COc1ccc2c(c1)oc1c(c2=O)C(c2ccccc2F)N(c2nccs2)C1=O ZINC000006660587 557712716 /nfs/dbraw/zinc/71/27/16/557712716.db2.gz RPLPMSLBLUBRRX-QGZVFWFLSA-N 0 3 408.410 4.147 50 0 HIAAHN Cc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000010233134 557857703 /nfs/dbraw/zinc/85/77/03/557857703.db2.gz ITGOUOWZRDRLNF-QFIPXVFZSA-N 0 3 404.510 4.215 50 0 HIAAHN CCN1CCC[C@@H]1CN[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000022921893 558263816 /nfs/dbraw/zinc/26/38/16/558263816.db2.gz BGJMXTWCMLLLQP-WIYYLYMNSA-N 0 3 401.938 4.102 50 0 HIAAHN Cc1ccnc(C[C@H](C)N2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)c1 ZINC000011821541 558284774 /nfs/dbraw/zinc/28/47/74/558284774.db2.gz MOVNOGBYUIQVEO-NRFANRHFSA-N 0 3 421.585 4.491 50 0 HIAAHN Cc1nc2ccc(C(=O)N(C)[C@@H]3CCCN(CCCc4ccccc4)C3)cc2nc1C ZINC000011840744 558286692 /nfs/dbraw/zinc/28/66/92/558286692.db2.gz ZVBAXDBJOVXJDM-HSZRJFAPSA-N 0 3 416.569 4.416 50 0 HIAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)CCc2cn[nH]c2)cc1F ZINC000012021578 558309459 /nfs/dbraw/zinc/30/94/59/558309459.db2.gz MHJFQEFDYPHILX-UHFFFAOYSA-N 0 3 419.504 4.393 50 0 HIAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)Cc1ccc(OC)cc1 ZINC000012049542 558313636 /nfs/dbraw/zinc/31/36/36/558313636.db2.gz XIXOQFJULKQCDT-QFIPXVFZSA-N 0 3 412.549 4.180 50 0 HIAAHN c1nn(-c2ccccc2)c2ncnc(N3CCN(Cc4cccc5ccccc54)CC3)c12 ZINC000020133570 558337478 /nfs/dbraw/zinc/33/74/78/558337478.db2.gz PFAGRFREANDRQI-UHFFFAOYSA-N 0 3 420.520 4.291 50 0 HIAAHN COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(Cc4cnn(C)c4C)C3)cc2)c1 ZINC000012203660 558351981 /nfs/dbraw/zinc/35/19/81/558351981.db2.gz WXBVOUWKWNJERR-NRFANRHFSA-N 0 3 418.541 4.255 50 0 HIAAHN CC(C)CN(C)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21 ZINC000012300176 558370138 /nfs/dbraw/zinc/37/01/38/558370138.db2.gz WNTSKWXHHZPLHQ-UHFFFAOYSA-N 0 3 410.949 4.274 50 0 HIAAHN CN(C(=O)c1cn2cc(Cl)ccc2n1)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000012307201 558375945 /nfs/dbraw/zinc/37/59/45/558375945.db2.gz PMCQLRMCSZXJJM-FQEVSTJZSA-N 0 3 410.949 4.157 50 0 HIAAHN CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccncc1 ZINC000012432140 558406367 /nfs/dbraw/zinc/40/63/67/558406367.db2.gz BSGYYQAIENSRQU-UHFFFAOYSA-N 0 3 405.464 4.127 50 0 HIAAHN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3[nH]c4ccccc4c3C)C2)CC1 ZINC000020919135 558423430 /nfs/dbraw/zinc/42/34/30/558423430.db2.gz PSWSZLNEMPJBJV-OAQYLSRUSA-N 0 3 418.585 4.272 50 0 HIAAHN CC(=O)NC[C@H]1CCCN(Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000012571605 558429489 /nfs/dbraw/zinc/42/94/89/558429489.db2.gz NDLFSCBWJCBHOS-HXUWFJFHSA-N 0 3 420.532 4.335 50 0 HIAAHN COc1cc(C(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)ccc1OC1CCN(C)CC1 ZINC000012591065 558435716 /nfs/dbraw/zinc/43/57/16/558435716.db2.gz GFSOVYSSEPTVTF-FPOVZHCZSA-N 0 3 412.574 4.281 50 0 HIAAHN CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(Cc2ccc(NC(C)=O)cc2)C1 ZINC000012710485 558452070 /nfs/dbraw/zinc/45/20/70/558452070.db2.gz FAQOKGTXTODEAO-RUZDIDTESA-N 0 3 408.542 4.341 50 0 HIAAHN Cc1cc(C)n(-c2ccc(F)cc2CN2CCC[C@@](CO)(Cc3ccccc3)C2)n1 ZINC000012744284 558457561 /nfs/dbraw/zinc/45/75/61/558457561.db2.gz KEJLVQXSBBISOK-RUZDIDTESA-N 0 3 407.533 4.445 50 0 HIAAHN C[C@H](NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc2c(c1)CCCC2 ZINC000012794833 558467952 /nfs/dbraw/zinc/46/79/52/558467952.db2.gz RXLORHZFNLLVSZ-IBGZPJMESA-N 0 3 419.569 4.093 50 0 HIAAHN COc1ccc(CCN2CCC[C@@H](CN(C)Cc3csc(C(C)=O)c3)C2)cc1 ZINC000012835405 558477775 /nfs/dbraw/zinc/47/77/75/558477775.db2.gz HOYLVKNZWUGEJS-FQEVSTJZSA-N 0 3 400.588 4.346 50 0 HIAAHN Cc1ccccc1OCCN(C)Cc1cc(=O)oc2cc(Br)ccc12 ZINC000012998148 558499481 /nfs/dbraw/zinc/49/94/81/558499481.db2.gz ZXRWNSLHDICSNI-UHFFFAOYSA-N 0 3 402.288 4.375 50 0 HIAAHN Cc1sc2nc(-c3cccs3)nc(NCC(C)(C)N3CCN(C)CC3)c2c1C ZINC000022930254 558523960 /nfs/dbraw/zinc/52/39/60/558523960.db2.gz PNOWADNPAWQYCM-UHFFFAOYSA-N 0 3 415.632 4.475 50 0 HIAAHN COc1ccccc1CCNC(=O)[C@H]1CC12CCN(Cc1cc3ccccc3o1)CC2 ZINC000014889101 558678052 /nfs/dbraw/zinc/67/80/52/558678052.db2.gz OTIGQFVRELXAFA-JOCHJYFZSA-N 0 3 418.537 4.402 50 0 HIAAHN Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccccc3CN3CCCCC3)c12 ZINC000014899752 558678461 /nfs/dbraw/zinc/67/84/61/558678461.db2.gz YJASVIOSMSOSBI-UHFFFAOYSA-N 0 3 417.557 4.070 50 0 HIAAHN Cc1ccc(CN2C(=O)CC[C@@H]2CCNCc2cc3c(cc2Cl)OCO3)cc1F ZINC000014952185 558681168 /nfs/dbraw/zinc/68/11/68/558681168.db2.gz SLJJMBMGYZQEMJ-QGZVFWFLSA-N 0 3 418.896 4.187 50 0 HIAAHN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C2CSCCSC2)C1 ZINC000014959270 558683331 /nfs/dbraw/zinc/68/33/31/558683331.db2.gz ROLSIBISDSOXEZ-FQEVSTJZSA-N 0 3 415.571 4.001 50 0 HIAAHN COc1cc(CN2CCC[C@H](C)C2)ccc1OCCCNC(=O)c1cccs1 ZINC000014990358 558694027 /nfs/dbraw/zinc/69/40/27/558694027.db2.gz WCOKROSCDJIRSM-KRWDZBQOSA-N 0 3 402.560 4.188 50 0 HIAAHN CCN(CC)[C@H](CNC(=O)Nc1cccc(N2CCCCC2=O)c1)c1ccsc1 ZINC000072281254 558706922 /nfs/dbraw/zinc/70/69/22/558706922.db2.gz QUKXTKXIQWPJEJ-HXUWFJFHSA-N 0 3 414.575 4.470 50 0 HIAAHN COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3cnc(N(C)C)s3)C2)c(C)c1 ZINC000015068034 558710611 /nfs/dbraw/zinc/71/06/11/558710611.db2.gz QFHZQBJTRJMALG-QGZVFWFLSA-N 0 3 416.591 4.157 50 0 HIAAHN Cc1ccccc1CN1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000015075478 558716134 /nfs/dbraw/zinc/71/61/34/558716134.db2.gz SSAHYAUFYKIPQK-UHFFFAOYSA-N 0 3 418.497 4.010 50 0 HIAAHN COc1ccc(CN[C@@H](C)c2ccc(-n3cncn3)cc2)cc1OCc1cccnc1 ZINC000030545450 558732400 /nfs/dbraw/zinc/73/24/00/558732400.db2.gz DXFCEKZFZBYONI-SFHVURJKSA-N 0 3 415.497 4.101 50 0 HIAAHN CCOc1ccc(NC(=O)CCN2CCC[C@@H]2Cc2ccccc2Cl)cc1CO ZINC000072304025 558756669 /nfs/dbraw/zinc/75/66/69/558756669.db2.gz ACGDNJQSNUFERE-HXUWFJFHSA-N 0 3 416.949 4.267 50 0 HIAAHN CCOc1ccc(NC(=O)CCN2CCC[C@H]2Cc2ccccc2Cl)cc1CO ZINC000072304026 558756753 /nfs/dbraw/zinc/75/67/53/558756753.db2.gz ACGDNJQSNUFERE-FQEVSTJZSA-N 0 3 416.949 4.267 50 0 HIAAHN CCN(CC)CCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000004585313 558776013 /nfs/dbraw/zinc/77/60/13/558776013.db2.gz OVRHNOZBFXODPJ-UHFFFAOYSA-N 0 3 411.527 4.056 50 0 HIAAHN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000072328165 558863145 /nfs/dbraw/zinc/86/31/45/558863145.db2.gz MAGMOWVUYKVSGY-INIZCTEOSA-N 0 3 400.544 4.288 50 0 HIAAHN O[C@H](Cn1c2ccccc2c2ccccc21)CN1CCN(CCc2ccccc2)CC1 ZINC000019360088 558876040 /nfs/dbraw/zinc/87/60/40/558876040.db2.gz ANKIBSSXGRNMRX-QHCPKHFHSA-N 0 3 413.565 4.016 50 0 HIAAHN O=C(NCc1ccccn1)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000004675686 558888403 /nfs/dbraw/zinc/88/84/03/558888403.db2.gz MGJBFAQJRAXZML-UHFFFAOYSA-N 0 3 415.537 4.189 50 0 HIAAHN CCOC(=O)C1C(CNC(C)(C)CC(C)(C)C)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000004689223 558899246 /nfs/dbraw/zinc/89/92/46/558899246.db2.gz VPEHNWSWTAQEKI-HXUWFJFHSA-N 0 3 415.578 4.279 50 0 HIAAHN CCOC(=O)C1=C(CNC(C)(C)CC(C)(C)C)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000004689223 558899247 /nfs/dbraw/zinc/89/92/47/558899247.db2.gz VPEHNWSWTAQEKI-HXUWFJFHSA-N 0 3 415.578 4.279 50 0 HIAAHN Cc1csc(-c2cc(S(=O)(=O)NCCCN3CCCCCC3)c(C)s2)n1 ZINC000033169456 558902795 /nfs/dbraw/zinc/90/27/95/558902795.db2.gz LLXAHCGFGOFXLB-UHFFFAOYSA-N 0 3 413.634 4.033 50 0 HIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000033254316 558918197 /nfs/dbraw/zinc/91/81/97/558918197.db2.gz PACFSGXXSHJBTL-UHFFFAOYSA-N 0 3 402.498 4.008 50 0 HIAAHN COc1ccc(-n2cc(CN(C)CCc3cn[nH]c3)c(-c3cccc(F)c3)n2)cc1 ZINC000019595621 558946060 /nfs/dbraw/zinc/94/60/60/558946060.db2.gz WUGWZYQEZDDQNV-UHFFFAOYSA-N 0 3 405.477 4.085 50 0 HIAAHN Cc1ccc(C)c([C@@H](NC(=O)C2CCN(Cc3ccco3)CC2)c2cccnc2)c1 ZINC000095374953 559080417 /nfs/dbraw/zinc/08/04/17/559080417.db2.gz KTMIXVPZZQRYRH-DEOSSOPVSA-N 0 3 403.526 4.409 50 0 HIAAHN c1nn2cc(-c3ccc(N4CCNCC4)cc3)cnc2c1-c1cccc2ncccc21 ZINC000096173500 559101095 /nfs/dbraw/zinc/10/10/95/559101095.db2.gz BBDGBGOVJPEFBT-UHFFFAOYSA-N 0 3 406.493 4.021 50 0 in-vitro HIAAHN CS(=O)(=O)N[C@@H](c1ccccc1)[C@@H](NCCCc1ccccc1)c1ccccc1 ZINC000098074327 559126781 /nfs/dbraw/zinc/12/67/81/559126781.db2.gz FYFQWMUFYKBVCE-ZEQRLZLVSA-N 0 3 408.567 4.241 50 0 HIAAHN CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Br)s3)=NN12 ZINC000004863080 559193325 /nfs/dbraw/zinc/19/33/25/559193325.db2.gz OBUYOBUCXVACGO-OAHLLOKOSA-N 0 3 418.360 4.476 50 0 HIAAHN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccccc4)C(=O)[C@@]32C)cc1 ZINC000004899249 559199185 /nfs/dbraw/zinc/19/91/85/559199185.db2.gz GBDLERWZMUYQPR-SGIRGMQISA-N 0 3 414.461 4.136 50 0 HIAAHN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccccc4)C(=O)[C@]32C)cc1 ZINC000004899250 559199191 /nfs/dbraw/zinc/19/91/91/559199191.db2.gz GBDLERWZMUYQPR-FBLLAGFSSA-N 0 3 414.461 4.136 50 0 HIAAHN CCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccco3)=NN12 ZINC000005091577 559243784 /nfs/dbraw/zinc/24/37/84/559243784.db2.gz IJZHINJXZWCPJF-KRWDZBQOSA-N 0 3 416.319 4.398 50 0 HIAAHN CCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000005093785 559244472 /nfs/dbraw/zinc/24/44/72/559244472.db2.gz LOIDELWTKCBCMX-OAQYLSRUSA-N 0 3 407.514 4.059 50 0 HIAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4C)[C@@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000101264423 560789579 /nfs/dbraw/zinc/78/95/79/560789579.db2.gz LTLGWXSSEIRPKA-PCCBWWKXSA-N 0 3 404.491 4.416 50 0 HIAAHN CCC[C@@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)C2ON1c1ccccc1 ZINC000102726777 560821840 /nfs/dbraw/zinc/82/18/40/560821840.db2.gz OAEOLBCEEPGHDO-JFIYKMOQSA-N 0 3 405.281 4.472 50 0 HIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@@H]3C2=O)c1 ZINC000102716028 560823329 /nfs/dbraw/zinc/82/33/29/560823329.db2.gz PJHSNMLQMDNNBY-RJGXRXQPSA-N 0 3 414.461 4.055 50 0 HIAAHN CCN(C(=O)Nc1ccc(NC(C)=O)c(OC)c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000107076438 560895238 /nfs/dbraw/zinc/89/52/38/560895238.db2.gz JVNZEMYXBWEJSX-UTKZUKDTSA-N 0 3 424.545 4.343 50 0 HIAAHN O=C(c1cccc(N[C@H]2CCCN(Cc3ccccc3)C2)c1)N1CCCC[C@H]1CCO ZINC000108157416 560898151 /nfs/dbraw/zinc/89/81/51/560898151.db2.gz OHEWWTSYTUCAFM-DQEYMECFSA-N 0 3 421.585 4.140 50 0 HIAAHN CC(C)N(Cc1ccc(NC(=O)[C@H](C)OCC(F)(F)F)cc1)C[C@@H]1CCCCO1 ZINC000095461571 568620886 /nfs/dbraw/zinc/62/08/86/568620886.db2.gz JTRPZPKVTGCZQP-LPHOPBHVSA-N 0 3 416.484 4.372 50 0 HIAAHN CCN(C(=O)Nc1cc(OC)ccc1OC(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000095942613 568662420 /nfs/dbraw/zinc/66/24/20/568662420.db2.gz MARUBFGRXUGEOV-QGZVFWFLSA-N 0 3 419.472 4.425 50 0 HIAAHN CCCN(CC(=O)Nc1cc(OC)ccc1OC)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000229746838 568715238 /nfs/dbraw/zinc/71/52/38/568715238.db2.gz SVAXMYVZZXPGMK-LEWJYISDSA-N 0 3 404.551 4.092 50 0 HIAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000229930131 568716067 /nfs/dbraw/zinc/71/60/67/568716067.db2.gz AXIORQHCBDQORL-BHDDXSALSA-N 0 3 418.449 4.120 50 0 HIAAHN COCCCNCc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000247846108 568745848 /nfs/dbraw/zinc/74/58/48/568745848.db2.gz MSDJIIDZGLBKDN-UHFFFAOYSA-N 0 3 405.329 4.426 50 0 HIAAHN O=C(NCC1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2cccc(O)c2n1 ZINC000021717229 568749952 /nfs/dbraw/zinc/74/99/52/568749952.db2.gz KPURRWHXYPWABA-UHFFFAOYSA-N 0 3 409.917 4.236 50 0 HIAAHN Cc1cccc(NC(=O)C2CCN(CCc3cccc(OC(F)(F)F)c3)CC2)n1 ZINC000097020417 568766313 /nfs/dbraw/zinc/76/63/13/568766313.db2.gz FQGWOZMACQGXFA-UHFFFAOYSA-N 0 3 407.436 4.182 50 0 HIAAHN CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccccc1F ZINC000002890323 568815124 /nfs/dbraw/zinc/81/51/24/568815124.db2.gz FHHQNKSSPXALSW-IBGZPJMESA-N 0 3 414.864 4.082 50 0 HIAAHN CCN1CCC[C@H]1CNCc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000261491654 568820141 /nfs/dbraw/zinc/82/01/41/568820141.db2.gz BIESIXOYFYFWOF-NRFANRHFSA-N 0 3 409.965 4.221 50 0 HIAAHN CCN(CC)[C@H](CNC(=O)COc1ccc(Oc2ccccn2)cc1)c1ccccc1 ZINC000012546151 568850623 /nfs/dbraw/zinc/85/06/23/568850623.db2.gz IHNZYUDJVJJLKU-HSZRJFAPSA-N 0 3 419.525 4.452 50 0 HIAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1n[nH]c2ccccc21 ZINC000057673490 568857984 /nfs/dbraw/zinc/85/79/84/568857984.db2.gz CALQRRMQJAPQRF-UHFFFAOYSA-N 0 3 411.509 4.137 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)N[C@H](C)c3ccc(OC)c(F)c3)cc2C)CC1 ZINC000058099414 568885594 /nfs/dbraw/zinc/88/55/94/568885594.db2.gz ZTLODAJJPZGBHY-QGZVFWFLSA-N 0 3 414.525 4.167 50 0 HIAAHN CC(C)c1ccc([C@H](NCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(C)C)cc1 ZINC000084625063 568953473 /nfs/dbraw/zinc/95/34/73/568953473.db2.gz QWEWYNXLTAPPOO-JOCHJYFZSA-N 0 3 420.550 4.278 50 0 HIAAHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1nnc(SCc2cccs2)s1 ZINC000084678436 568955488 /nfs/dbraw/zinc/95/54/88/568955488.db2.gz RCBZXYTZXNYZPC-YGRLFVJLSA-N 0 3 405.526 4.059 50 0 HIAAHN COc1ccc([C@H](CNC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)N(C)C)cc1 ZINC000008345464 568994483 /nfs/dbraw/zinc/99/44/83/568994483.db2.gz XFYTYUXTEZXNGI-XDHUDOTRSA-N 0 3 406.526 4.380 50 0 HIAAHN CC(C)[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccccc1 ZINC000012877650 569013967 /nfs/dbraw/zinc/01/39/67/569013967.db2.gz MQJFIJWKYSWBOQ-NQIIRXRSSA-N 0 3 419.447 4.280 50 0 HIAAHN O[C@@H](c1ccccc1)C1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000012892553 569020165 /nfs/dbraw/zinc/02/01/65/569020165.db2.gz PJCRBDSQOQMWGE-RXVVDRJESA-N 0 3 410.341 4.179 50 0 HIAAHN CC(=O)c1cccc(S(=O)(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)c1 ZINC000012897288 569020365 /nfs/dbraw/zinc/02/03/65/569020365.db2.gz CCDYNTCBFCDFSP-UHFFFAOYSA-N 0 3 422.550 4.096 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000226933449 569039928 /nfs/dbraw/zinc/03/99/28/569039928.db2.gz ZVNFNZGPNULSLH-KMDXXIMOSA-N 0 3 421.456 4.286 50 0 HIAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000238950465 569053936 /nfs/dbraw/zinc/05/39/36/569053936.db2.gz YDFNFNCLYUEFQC-XPWALMASSA-N 0 3 416.452 4.439 50 0 HIAAHN CC(C)N(Cc1ccc(NC(=O)[C@H](C)OCC(F)(F)F)cc1)C[C@H]1CCCCO1 ZINC000241144858 569054703 /nfs/dbraw/zinc/05/47/03/569054703.db2.gz JTRPZPKVTGCZQP-QFBILLFUSA-N 0 3 416.484 4.372 50 0 HIAAHN CC[C@H](C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@H]12 ZINC000035871491 569064078 /nfs/dbraw/zinc/06/40/78/569064078.db2.gz MXXYEPYUERUDMJ-NYSBEXSLSA-N 0 3 423.523 4.226 50 0 HIAAHN COc1ccc(CN(Cc2ccccc2)C[C@@H](O)COCc2ccccc2)cc1OC ZINC000036095758 569090101 /nfs/dbraw/zinc/09/01/01/569090101.db2.gz JDTYBGMLYBSYNJ-XMMPIXPASA-N 0 3 421.537 4.284 50 0 HIAAHN COc1cccc(CN(CCC(C)C)C[C@@H](O)COc2ccccc2C)c1OC ZINC000036097302 569090311 /nfs/dbraw/zinc/09/03/11/569090311.db2.gz ALYZNTDKURYIGJ-OAQYLSRUSA-N 0 3 401.547 4.300 50 0 HIAAHN CCOC[C@@H](O)CN(CCC(C)C)Cc1c(-c2ccccc2)noc1N(C)C(C)C ZINC000036249912 569119145 /nfs/dbraw/zinc/11/91/45/569119145.db2.gz IOPSWJJAAVNASF-NRFANRHFSA-N 0 3 417.594 4.432 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@@H]3C2=O)cc1Cl ZINC000169679758 569126891 /nfs/dbraw/zinc/12/68/91/569126891.db2.gz ARLOYYNQWRYBCI-PCCBWWKXSA-N 0 3 419.868 4.095 50 0 HIAAHN O=C(CCc1ccccc1)NC1CCN(CCOc2cccc3ccccc32)CC1 ZINC000064952541 569133293 /nfs/dbraw/zinc/13/32/93/569133293.db2.gz NZIVXHDGEKSPBL-UHFFFAOYSA-N 0 3 402.538 4.432 50 0 HIAAHN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000036432714 569182405 /nfs/dbraw/zinc/18/24/05/569182405.db2.gz LFCMDTGUBDFYED-BZSNNMDCSA-N 0 3 409.530 4.252 50 0 HIAAHN CN1CCC(NC(=O)c2cc(-c3ccccc3)nc3onc(-c4ccccc4)c32)CC1 ZINC000036618490 569210125 /nfs/dbraw/zinc/21/01/25/569210125.db2.gz XPSRZTNHSMTAKW-UHFFFAOYSA-N 0 3 412.493 4.381 50 0 HIAAHN Cc1cc(N(C)C)ccc1NC(=O)[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000252517092 569292254 /nfs/dbraw/zinc/29/22/54/569292254.db2.gz ZMFPORHBLOOTLD-RBUKOAKNSA-N 0 3 405.464 4.310 50 0 HIAAHN CN(Cc1ccc(Br)cc1)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027295599 569293031 /nfs/dbraw/zinc/29/30/31/569293031.db2.gz CZVJFJUCFFCURW-UHFFFAOYSA-N 0 3 415.253 4.373 50 0 HIAAHN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCC(Cc2ccccc2)CC1)CC3 ZINC000002304862 569372280 /nfs/dbraw/zinc/37/22/80/569372280.db2.gz BSDJWOQBHCGSAB-UHFFFAOYSA-N 0 3 401.554 4.316 50 0 HIAAHN CC(C)Sc1nc2sc3c(c2c2nnc(SCCN(C)C)n21)CCCC3 ZINC000002404771 569395992 /nfs/dbraw/zinc/39/59/92/569395992.db2.gz MSEZUYBIBCCWSC-UHFFFAOYSA-N 0 3 407.634 4.372 50 0 HIAAHN Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(Br)cc2)cc1F ZINC000078698500 569417543 /nfs/dbraw/zinc/41/75/43/569417543.db2.gz NBWJOXDVMNWZCZ-UHFFFAOYSA-N 0 3 408.315 4.492 50 0 HIAAHN CCC[C@H]1CN(Cc2cccc(NC(C)=O)c2)CCN1Cc1cccc(NC(C)=O)c1 ZINC000079058946 569426182 /nfs/dbraw/zinc/42/61/82/569426182.db2.gz NTBZHLWTPXRUHV-VWLOTQADSA-N 0 3 422.573 4.090 50 0 HIAAHN Cc1cc(C)c2c(N)c(C(=O)N3CCN(C4C5CC6CC(C5)CC4C6)CC3)sc2n1 ZINC000039231653 571122837 /nfs/dbraw/zinc/12/28/37/571122837.db2.gz KYNBPQYCEWNPMN-UHFFFAOYSA-N 0 3 424.614 4.078 50 0 HIAAHN CCN1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(OC)cc2)C1 ZINC000009151113 571230245 /nfs/dbraw/zinc/23/02/45/571230245.db2.gz CHGIGZCILCCERS-UHFFFAOYSA-N 0 3 410.543 4.247 50 0 HIAAHN CCOc1cccc2c1OC1(CCN(CC)CC1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 ZINC000010214329 571296803 /nfs/dbraw/zinc/29/68/03/571296803.db2.gz JIJTUQIKVSUPFK-QFIPXVFZSA-N 0 3 421.541 4.449 50 0 HIAAHN COc1cc2c(Cc3ccc4c(c3)OCO4)ncc([C@@H]3CCCN3C)c2cc1OC ZINC000005140820 845084164 /nfs/dbraw/zinc/08/41/64/845084164.db2.gz XISGRFQSYRKPNQ-FQEVSTJZSA-N 0 3 406.482 4.338 50 0 HIAAHN Fc1ccc(CN2CCC[C@@]3(CCN(Cc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000011842658 845838252 /nfs/dbraw/zinc/83/82/52/845838252.db2.gz UZQVVBJWSJYGHH-XMMPIXPASA-N 0 3 406.505 4.364 50 0 HIAAHN CCOc1ccc(CN2CCC3(C[C@H]3C(=O)NCCc3ccccc3OC)CC2)cc1 ZINC000012191981 845858704 /nfs/dbraw/zinc/85/87/04/845858704.db2.gz TVDMINIAUNURBV-QHCPKHFHSA-N 0 3 422.569 4.055 50 0 HIAAHN COCCOC1CCN(Cc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)CC1 ZINC000012718629 845886147 /nfs/dbraw/zinc/88/61/47/845886147.db2.gz HCZJJOQNPSYVMJ-UHFFFAOYSA-N 0 3 413.493 4.207 50 0 HIAAHN O=C1CCN(Cc2ccc3ncccc3c2)CCN1Cc1ccccc1C(F)(F)F ZINC000020601019 846384410 /nfs/dbraw/zinc/38/44/10/846384410.db2.gz GPAMJUDDSQSVOD-UHFFFAOYSA-N 0 3 413.443 4.488 50 0 HIAAHN CCOc1ccc2nc(N3CCC(NCc4nc(C)c(C)s4)CC3)nc(C)c2c1 ZINC000299787991 854282128 /nfs/dbraw/zinc/28/21/28/854282128.db2.gz VHFCTPONMAASHQ-UHFFFAOYSA-N 0 3 411.575 4.169 50 0 HIAAHN Cc1oc(-c2cccc(C)c2)nc1CN1CC[C@@H](c2nc(-c3cccn3C)no2)C1 ZINC000575551710 948676597 /nfs/dbraw/zinc/67/65/97/948676597.db2.gz FTLLJAMCYMPCKA-GOSISDBHSA-N 0 3 403.486 4.336 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)cc2)CC1 ZINC000011872696 132351650 /nfs/dbraw/zinc/35/16/50/132351650.db2.gz YPNBRLVEHTUEGR-UHFFFAOYSA-N 0 3 402.542 4.441 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)CCc3nc4ccccc4s3)c(C)c2)CC1 ZINC000012608551 132365233 /nfs/dbraw/zinc/36/52/33/132365233.db2.gz RCGBITVTVGCBSL-UHFFFAOYSA-N 0 3 408.571 4.318 50 0 HIAAHN CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)no2)cc1 ZINC000032622787 520805024 /nfs/dbraw/zinc/80/50/24/520805024.db2.gz AXMQPJLIUGPHQV-QFIPXVFZSA-N 0 3 405.498 4.307 50 0 HIAAHN COc1cccc([C@H](CNC(=O)/C=C/c2ccc(OC(F)F)cc2)N2CCCC2)c1 ZINC000040160156 524158914 /nfs/dbraw/zinc/15/89/14/524158914.db2.gz XTHXIONLWBXZEE-ZRFOIIEFSA-N 0 3 416.468 4.263 50 0 HIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2cc(Br)ccc2[nH]1 ZINC000032770816 527531267 /nfs/dbraw/zinc/53/12/67/527531267.db2.gz NIXOFKJDYFRDBI-UHFFFAOYSA-N 0 3 412.331 4.325 50 0 HIAAHN CCc1ccc2nc(N3CCC(C(=O)NCCN4CCCC[C@H]4C)CC3)sc2c1 ZINC000004757408 557594933 /nfs/dbraw/zinc/59/49/33/557594933.db2.gz HRWVGFQJQXCGDO-QGZVFWFLSA-N 0 3 414.619 4.066 50 0 HIAAHN Cc1c(C)n(CCC[NH+](C)C)c2ncn3nc(-c4cc5ccccc5cc4[O-])nc3c12 ZINC000006719970 557717071 /nfs/dbraw/zinc/71/70/71/557717071.db2.gz OVAVDQURQKMZQO-UHFFFAOYSA-N 0 3 414.513 4.173 50 0 HIAAHN CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2cc(C)c(O)c(C)c2)CC1 ZINC000011874030 558291613 /nfs/dbraw/zinc/29/16/13/558291613.db2.gz ZUTUGDJDAOFDPO-UHFFFAOYSA-N 0 3 411.542 4.406 50 0 HIAAHN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(Cc4ccc(CO)o4)C3)cc2)c1 ZINC000011878964 558293273 /nfs/dbraw/zinc/29/32/73/558293273.db2.gz FULXUEOVMWMBQT-HXUWFJFHSA-N 0 3 420.509 4.298 50 0 HIAAHN COc1ccc(C(=O)N(CC(C)C)CC2CCN(Cc3ccccc3OC)CC2)o1 ZINC000011933417 558298138 /nfs/dbraw/zinc/29/81/38/558298138.db2.gz OBIHIPOTYNKMPE-UHFFFAOYSA-N 0 3 414.546 4.307 50 0 HIAAHN CCOC(=O)C1(CCOC)CCN([C@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012030991 558311081 /nfs/dbraw/zinc/31/10/81/558311081.db2.gz FOIAGZJGJOYZDI-MRXNPFEDSA-N 0 3 401.469 4.318 50 0 HIAAHN O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1ccc(F)cc1F ZINC000012037830 558312145 /nfs/dbraw/zinc/31/21/45/558312145.db2.gz YAEMTQWHWARAOW-MRXNPFEDSA-N 0 3 422.859 4.018 50 0 HIAAHN O=C1CC[C@H](CCNCc2ccccc2F)N1Cc1ccc(OC(F)(F)F)cc1 ZINC000012041629 558313142 /nfs/dbraw/zinc/31/31/42/558313142.db2.gz ZYWISEVIIYCQCS-QGZVFWFLSA-N 0 3 410.411 4.395 50 0 HIAAHN CCN(CC)CCN1Cc2c(C)c(C)sc2N(C(=O)c2ccc(OC)cc2)C1 ZINC000020218813 558348323 /nfs/dbraw/zinc/34/83/23/558348323.db2.gz JBGWRFIXWVWLAE-UHFFFAOYSA-N 0 3 401.576 4.135 50 0 HIAAHN O=C(CCC1CCN(Cc2c[nH]nc2C2CCCCC2)CC1)NCc1cccnc1 ZINC000012196393 558349521 /nfs/dbraw/zinc/34/95/21/558349521.db2.gz RNZZYVWZXWYZHM-UHFFFAOYSA-N 0 3 409.578 4.161 50 0 HIAAHN CC(C)N(Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)C[C@H]1CCC(=O)N1 ZINC000012209843 558353790 /nfs/dbraw/zinc/35/37/90/558353790.db2.gz BLNKQMHOOIWTBF-OAQYLSRUSA-N 0 3 418.541 4.368 50 0 HIAAHN CN1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2cc(-c3ccccc3)no2)C1 ZINC000012303756 558373087 /nfs/dbraw/zinc/37/30/87/558373087.db2.gz RNWXKQJMVLUZJO-OAQYLSRUSA-N 0 3 403.526 4.368 50 0 HIAAHN CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000012317561 558380777 /nfs/dbraw/zinc/38/07/77/558380777.db2.gz BBGQYRXGWFQZOH-UHFFFAOYSA-N 0 3 406.534 4.095 50 0 HIAAHN Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN[C@@H](CC(C)C)C(N)=O ZINC000012373340 558390763 /nfs/dbraw/zinc/39/07/63/558390763.db2.gz ZROQAMNQFRFAFE-FQEVSTJZSA-N 0 3 412.484 4.116 50 0 HIAAHN O=C(CC[C@@H]1CCCN(Cc2ccc(CO)o2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012387488 558396355 /nfs/dbraw/zinc/39/63/55/558396355.db2.gz VNSHOZIZKFPSPS-HNNXBMFYSA-N 0 3 410.436 4.422 50 0 HIAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)CCn2ccnc2C)c(F)c1 ZINC000012429432 558404190 /nfs/dbraw/zinc/40/41/90/558404190.db2.gz MQXXXYUMVMZQMF-UHFFFAOYSA-N 0 3 419.504 4.324 50 0 HIAAHN CN(C[C@H]1CCCN(CCc2ccc(F)cc2)C1)C(=O)c1cn(C)c2ccccc12 ZINC000012434623 558408626 /nfs/dbraw/zinc/40/86/26/558408626.db2.gz MOELUZHLPAJFFC-HXUWFJFHSA-N 0 3 407.533 4.344 50 0 HIAAHN c1cncc([C@@H]2CCCCN2CCc2nc3c4c5c(sc4ncn3n2)CCCC5)c1 ZINC000020841377 558417356 /nfs/dbraw/zinc/41/73/56/558417356.db2.gz NRESCKSPZJRFBF-SFHVURJKSA-N 0 3 418.570 4.383 50 0 HIAAHN Clc1ccccc1-c1ccc(CNCCSc2nnnn2-c2ccccc2)o1 ZINC000020876090 558419170 /nfs/dbraw/zinc/41/91/70/558419170.db2.gz WODFQTKASZQNTD-UHFFFAOYSA-N 0 3 411.918 4.458 50 0 HIAAHN CN(C(=O)c1cc(-c2ccccc2)on1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012476814 558422842 /nfs/dbraw/zinc/42/28/42/558422842.db2.gz OBAZFKGFCJDEJY-OAQYLSRUSA-N 0 3 401.510 4.045 50 0 HIAAHN CC(C)Oc1ccc(CN2CCC(CO)(Cc3ccccc3Cl)CC2)cc1CO ZINC000012593281 558436304 /nfs/dbraw/zinc/43/63/04/558436304.db2.gz BEKQEEIHMMLXBY-UHFFFAOYSA-N 0 3 417.977 4.437 50 0 HIAAHN COc1ccccc1/C=C/[C@@H]1C[C@H]2CN(Cc3ccccc3C)C(=O)[C@]23CCCN13 ZINC000012613178 558439128 /nfs/dbraw/zinc/43/91/28/558439128.db2.gz SSKWTPCHHBIALR-KRGVZGDRSA-N 0 3 402.538 4.282 50 0 HIAAHN COc1ccc(C(=O)NCc2cc(F)ccc2C)cc1OC1CCN(C(C)C)CC1 ZINC000012703408 558448516 /nfs/dbraw/zinc/44/85/16/558448516.db2.gz LMLODXVLIHVABQ-UHFFFAOYSA-N 0 3 414.521 4.324 50 0 HIAAHN O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCCN(Cc2cccc(OCCO)c2)C1 ZINC000012712102 558453360 /nfs/dbraw/zinc/45/33/60/558453360.db2.gz KEZBBIXDDVKHRC-QFIPXVFZSA-N 0 3 415.533 4.404 50 0 HIAAHN COC(=O)c1ccc(CN2CCC(CCC(=O)Nc3cccc(OC)c3)CC2)cc1 ZINC000012713225 558453849 /nfs/dbraw/zinc/45/38/49/558453849.db2.gz ZBJGCTYJRFUPGG-UHFFFAOYSA-N 0 3 410.514 4.113 50 0 HIAAHN Cn1c2c(c3c1CCN(C)[C@@H]3c1ccc(F)cc1)[C@@H](c1ccc(F)cc1)N(C)CC2 ZINC000013110723 558515410 /nfs/dbraw/zinc/51/54/10/558515410.db2.gz AWJNVDVMXBWHKB-JWQCQUIFSA-N 0 3 407.508 4.458 50 0 HIAAHN CCN1CCN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022860260 558517459 /nfs/dbraw/zinc/51/74/59/558517459.db2.gz DCAZNNZZFVUJFM-OAQYLSRUSA-N 0 3 423.384 4.098 50 0 HIAAHN O=C(CCC1CCN(Cc2ccc3nonc3c2)CC1)NCc1cccc(Cl)c1 ZINC000023128747 558536634 /nfs/dbraw/zinc/53/66/34/558536634.db2.gz CRICJTXBUFYNRP-UHFFFAOYSA-N 0 3 412.921 4.185 50 0 HIAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccs3)=NN12 ZINC000004424503 558544021 /nfs/dbraw/zinc/54/40/21/558544021.db2.gz CBVZFLUXVZOPFP-INIZCTEOSA-N 0 3 418.360 4.476 50 0 HIAAHN O=C(c1nc2sccn2c1CN1CC[C@@H](C2CCCCC2)C1)N1CCCCC1 ZINC000023338313 558549970 /nfs/dbraw/zinc/54/99/70/558549970.db2.gz ARWCCCZXYDWAAA-GOSISDBHSA-N 0 3 400.592 4.424 50 0 HIAAHN O=C(CC1C(=O)N(Cc2ccccc2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000023382070 558555494 /nfs/dbraw/zinc/55/54/94/558555494.db2.gz WOZMVGNFBASRSN-OAQYLSRUSA-N 0 3 414.440 4.292 50 0 HIAAHN CCOc1cccc(CNCCCN2CCCC2=O)c1OCc1ccc(Cl)cc1 ZINC000013728105 558585332 /nfs/dbraw/zinc/58/53/32/558585332.db2.gz KYZPPCJWTFCOCA-UHFFFAOYSA-N 0 3 416.949 4.420 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)c(F)c3)[C@H]2C(=O)N1c1ccccc1 ZINC000013811229 558595736 /nfs/dbraw/zinc/59/57/36/558595736.db2.gz SCLQDEBYMGJAFU-NJDAHSKKSA-N 0 3 406.388 4.016 50 0 HIAAHN CCc1ccc(CN2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)o1 ZINC000014949973 558680748 /nfs/dbraw/zinc/68/07/48/558680748.db2.gz LBJJSPIKWQBZRZ-GOSISDBHSA-N 0 3 414.546 4.168 50 0 HIAAHN CCN(Cc1ccccc1)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000014951553 558681322 /nfs/dbraw/zinc/68/13/22/558681322.db2.gz PAMDDSIINGTGJC-XMMPIXPASA-N 0 3 415.537 4.204 50 0 HIAAHN CSC[C@H](C)N1CCC(Oc2cccc(C(=O)NCCc3ccccc3)c2)CC1 ZINC000014971294 558687274 /nfs/dbraw/zinc/68/72/74/558687274.db2.gz JCSJEDAPJBUNSG-IBGZPJMESA-N 0 3 412.599 4.254 50 0 HIAAHN Cc1cccc(-n2cc(CN(C[C@@H]3CCC(=O)N3)C(C)C)c(-c3cccc(F)c3)n2)c1 ZINC000014974718 558688758 /nfs/dbraw/zinc/68/87/58/558688758.db2.gz HNGLTBBVRDPYAL-QFIPXVFZSA-N 0 3 420.532 4.476 50 0 HIAAHN COc1ccccc1OCC(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCCC1 ZINC000028288719 558695517 /nfs/dbraw/zinc/69/55/17/558695517.db2.gz OVCZRMBIIQYWTC-NRFANRHFSA-N 0 3 410.558 4.325 50 0 HIAAHN Cc1cc(C)n(-c2cccc(C(=O)N(C)[C@@H]3CCCN(CCc4ccccc4)C3)c2)n1 ZINC000015063769 558706465 /nfs/dbraw/zinc/70/64/65/558706465.db2.gz NKUARYVOLNUZFH-RUZDIDTESA-N 0 3 416.569 4.268 50 0 HIAAHN CCC(CC)CN1CCN(c2cccc3c2C(=O)N(Cc2ccccc2F)C3=O)CC1 ZINC000015072097 558713516 /nfs/dbraw/zinc/71/35/16/558713516.db2.gz VJTUOEMXDASJAU-UHFFFAOYSA-N 0 3 423.532 4.180 50 0 HIAAHN Clc1cccc(-c2noc(CN3CCC(N4CCc5ccccc5C4)CC3)n2)c1 ZINC000015073894 558714790 /nfs/dbraw/zinc/71/47/90/558714790.db2.gz SCRKPVQRMHCKLG-UHFFFAOYSA-N 0 3 408.933 4.413 50 0 HIAAHN CCCNCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1F)CC[C@@H](C)C2 ZINC000004554475 558722117 /nfs/dbraw/zinc/72/21/17/558722117.db2.gz UJDIRCFXVYKQCU-CYBMUJFWSA-N 0 3 403.523 4.202 50 0 HIAAHN Cc1ccc(-c2nnc(-c3ccc(C(=O)NC4CCN(C5CC5)CC4)cc3)o2)cc1 ZINC000032891431 558732153 /nfs/dbraw/zinc/73/21/53/558732153.db2.gz MUSQOWODBIXLLE-UHFFFAOYSA-N 0 3 402.498 4.069 50 0 HIAAHN CC(C)[C@H](N[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C(C)(C)C)cc1 ZINC000011096399 558762375 /nfs/dbraw/zinc/76/23/75/558762375.db2.gz QLYYYJBKOQHTKP-BTYIYWSLSA-N 0 3 408.546 4.468 50 0 HIAAHN S=C(Nc1ccc(Br)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000015952088 558763904 /nfs/dbraw/zinc/76/39/04/558763904.db2.gz KADBDPLNZVMZIZ-UHFFFAOYSA-N 0 3 404.377 4.400 50 0 HIAAHN COc1ccc(-c2cc(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)no2)cc1 ZINC000017092764 558821279 /nfs/dbraw/zinc/82/12/79/558821279.db2.gz KLDMGYLAHWPZAY-UHFFFAOYSA-N 0 3 421.541 4.077 50 0 HIAAHN COc1ccc(CN2CCN(Cc3cccc4ccccc43)CC2)c(OC)c1OC ZINC000019361462 558876421 /nfs/dbraw/zinc/87/64/21/558876421.db2.gz RSZSZWNPFHPPCJ-UHFFFAOYSA-N 0 3 406.526 4.183 50 0 HIAAHN CCCN1CCN(c2ncnc3sc(C(=O)Nc4ccccc4CC)c(C)c32)CC1 ZINC000033048415 558885735 /nfs/dbraw/zinc/88/57/35/558885735.db2.gz CMXUXFKLWKRDIU-UHFFFAOYSA-N 0 3 423.586 4.346 50 0 HIAAHN O=C(COc1ccccc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057428740 558888597 /nfs/dbraw/zinc/88/85/97/558888597.db2.gz ARDSVWSUILGFLD-UHFFFAOYSA-N 0 3 401.510 4.026 50 0 HIAAHN C[C@H](CNC(=O)CCc1nc2ccccc2n1-c1ccccc1)N1CCC(C)CC1 ZINC000058209353 558911885 /nfs/dbraw/zinc/91/18/85/558911885.db2.gz HNEWPUWMBHUGTG-HXUWFJFHSA-N 0 3 404.558 4.195 50 0 HIAAHN O=C(CN1CCC(c2n[nH]c(C3CC3)n2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000058218190 558912849 /nfs/dbraw/zinc/91/28/49/558912849.db2.gz KSGSTDFKGIIYBM-UHFFFAOYSA-N 0 3 415.541 4.095 50 0 HIAAHN O=C(CN1CCC(c2nc(C3CC3)n[nH]2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000058218190 558912850 /nfs/dbraw/zinc/91/28/50/558912850.db2.gz KSGSTDFKGIIYBM-UHFFFAOYSA-N 0 3 415.541 4.095 50 0 HIAAHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)C[C@H](C)O1 ZINC000058224453 558913372 /nfs/dbraw/zinc/91/33/72/558913372.db2.gz ANWUSQFGMAREHE-BGYRXZFFSA-N 0 3 408.542 4.440 50 0 HIAAHN CCCCCCOc1ccc(N2C(=O)C[C@@H](NCCc3ccc(OC)cc3)C2=O)cc1 ZINC000004719676 558919034 /nfs/dbraw/zinc/91/90/34/558919034.db2.gz WTZUJLFJNJUKSX-HSZRJFAPSA-N 0 3 424.541 4.119 50 0 HIAAHN O=C(N[C@H]1CCOc2ccc(Br)cc21)c1cccc(CN2CCCC2)c1 ZINC000058393477 558923761 /nfs/dbraw/zinc/92/37/61/558923761.db2.gz FJQFKNKGXKJIRX-IBGZPJMESA-N 0 3 415.331 4.299 50 0 HIAAHN COc1ccc([C@@H](C)NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1F ZINC000058434998 558927156 /nfs/dbraw/zinc/92/71/56/558927156.db2.gz PLDMDBHJGXCTHW-QVKFZJNVSA-N 0 3 424.438 4.466 50 0 HIAAHN Fc1ccccc1N1CCN([C@@H]2CCCN(Cc3cccc4cccnc43)C2)CC1 ZINC000019637751 558947373 /nfs/dbraw/zinc/94/73/73/558947373.db2.gz WKHLIIHWSNWVII-JOCHJYFZSA-N 0 3 404.533 4.161 50 0 HIAAHN Cc1cccc(-c2nc3cc4c(cc3cc2CN2CCC[C@@](O)(CO)C2)CCC4)c1 ZINC000072433849 558979612 /nfs/dbraw/zinc/97/96/12/558979612.db2.gz DDTLDTHHJNJSFJ-SANMLTNESA-N 0 3 402.538 4.018 50 0 HIAAHN C[C@@H]1CN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CCN1C ZINC000072454121 558982923 /nfs/dbraw/zinc/98/29/23/558982923.db2.gz UUCVOCBKPDJKKM-LJQANCHMSA-N 0 3 400.526 4.481 50 0 HIAAHN Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)NCCCN1CCCC1 ZINC000033290161 559047207 /nfs/dbraw/zinc/04/72/07/559047207.db2.gz SQVWEUMFJIPLEP-UHFFFAOYSA-N 0 3 413.634 4.068 50 0 HIAAHN CCCOc1c(CNCCCOc2ccccn2)cc(Br)cc1OC ZINC000113396725 559180072 /nfs/dbraw/zinc/18/00/72/559180072.db2.gz IMHCFYWGVLLTTK-UHFFFAOYSA-N 0 3 409.324 4.200 50 0 HIAAHN CCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccco3)=NN12 ZINC000005091580 559243850 /nfs/dbraw/zinc/24/38/50/559243850.db2.gz IJZHINJXZWCPJF-QGZVFWFLSA-N 0 3 416.319 4.398 50 0 HIAAHN CCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000005093784 559244398 /nfs/dbraw/zinc/24/43/98/559244398.db2.gz LOIDELWTKCBCMX-NRFANRHFSA-N 0 3 407.514 4.059 50 0 HIAAHN O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc(CN2CCCCC2)cc1 ZINC000011752211 559257475 /nfs/dbraw/zinc/25/74/75/559257475.db2.gz NLAULZISEHDFMM-UHFFFAOYSA-N 0 3 409.511 4.306 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000135632684 559276263 /nfs/dbraw/zinc/27/62/63/559276263.db2.gz TYJWFNFJWIQGNP-PCCBWWKXSA-N 0 3 406.388 4.016 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)c(F)c3)[C@@H]2C(=O)N1c1ccccc1 ZINC000137958400 559281435 /nfs/dbraw/zinc/28/14/35/559281435.db2.gz SCLQDEBYMGJAFU-PCCBWWKXSA-N 0 3 406.388 4.016 50 0 HIAAHN Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3C2c2ccccn2)no1 ZINC000005323264 560568767 /nfs/dbraw/zinc/56/87/67/560568767.db2.gz YISYHTBDSOMRER-SFHVURJKSA-N 0 3 407.813 4.196 50 0 HIAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C1=O ZINC000102724374 560821720 /nfs/dbraw/zinc/82/17/20/560821720.db2.gz PDRWURHQLPIHQI-PCCBWWKXSA-N 0 3 420.490 4.198 50 0 HIAAHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C1=O ZINC000102733298 560822689 /nfs/dbraw/zinc/82/26/89/560822689.db2.gz BGMVTEUMGWDEOV-YMPZKCBVSA-N 0 3 416.452 4.494 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)c(F)c4)[C@H]3C2=O)cc1 ZINC000102763466 560824976 /nfs/dbraw/zinc/82/49/76/560824976.db2.gz QUFAJEFNCKOFAQ-BHIFYINESA-N 0 3 420.415 4.324 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)c(F)c3)[C@@H]2C(=O)N1c1ccccc1 ZINC000102767330 560825139 /nfs/dbraw/zinc/82/51/39/560825139.db2.gz SCLQDEBYMGJAFU-PWRODBHTSA-N 0 3 406.388 4.016 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000102861273 560831885 /nfs/dbraw/zinc/83/18/85/560831885.db2.gz JCPFPKCJPGQIBH-HSALFYBXSA-N 0 3 408.841 4.293 50 0 HIAAHN COCCN(C[C@H]1CN(Cc2ccc(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000105050408 560860846 /nfs/dbraw/zinc/86/08/46/560860846.db2.gz XMJZRTUJAVPONG-NFBKMPQASA-N 0 3 416.537 4.074 50 0 HIAAHN CN1CCCN(c2ccc(NC(=O)N3CCC[C@@H]3c3ccsc3)cc2F)CC1 ZINC000047561389 560892256 /nfs/dbraw/zinc/89/22/56/560892256.db2.gz LPCNGWRYTYYOKE-LJQANCHMSA-N 0 3 402.539 4.398 50 0 HIAAHN CCOc1c(Br)cc(Br)cc1CNC[C@@H]1CCCN1CC ZINC000022935893 568500867 /nfs/dbraw/zinc/50/08/67/568500867.db2.gz RIVHPPXPQQGEDK-AWEZNQCLSA-N 0 3 420.189 4.184 50 0 HIAAHN CN1CCN(CCc2cccc(NC(=O)CCSc3ccc(Cl)cc3)c2)CC1 ZINC000095457791 568618757 /nfs/dbraw/zinc/61/87/57/568618757.db2.gz HUAGSVQOJTZBOC-UHFFFAOYSA-N 0 3 418.006 4.251 50 0 HIAAHN Cc1ccc2c(c1)-c1onc(C(=O)NCCN(Cc3ccco3)C3CCCC3)c1CO2 ZINC000020510074 568621041 /nfs/dbraw/zinc/62/10/41/568621041.db2.gz GIAFSYMPMKUZTK-UHFFFAOYSA-N 0 3 421.497 4.310 50 0 HIAAHN FC(F)(F)c1cccc([C@@H](NCCc2nnc3n2CCCCC3)c2ccncc2)c1 ZINC000095466828 568624198 /nfs/dbraw/zinc/62/41/98/568624198.db2.gz LAGPQNCFGNIGHB-NRFANRHFSA-N 0 3 415.463 4.340 50 0 HIAAHN COc1cc(OC)c(NC(=O)NC[C@H]2CCN(Cc3ccc(C)cc3)C2)cc1Cl ZINC000020889893 568647647 /nfs/dbraw/zinc/64/76/47/568647647.db2.gz FMUNXLUQSCLFIJ-QGZVFWFLSA-N 0 3 417.937 4.309 50 0 HIAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)NC4CC4)CC3)cc3ccccc32)cc1 ZINC000021116245 568669143 /nfs/dbraw/zinc/66/91/43/568669143.db2.gz DLXQLTWOHLREML-UHFFFAOYSA-N 0 3 401.554 4.489 50 0 HIAAHN CCN(CC)CCn1c2ccccc2n(C[C@H](O)c2ccc(Cl)c(Cl)c2)c1=N ZINC000000858790 568713355 /nfs/dbraw/zinc/71/33/55/568713355.db2.gz YTILIDHNOSRDBJ-FQEVSTJZSA-N 0 3 421.372 4.304 50 0 HIAAHN CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)cc1 ZINC000229885594 568715785 /nfs/dbraw/zinc/71/57/85/568715785.db2.gz ZPZGLGQNLNPWBX-PWRODBHTSA-N 0 3 420.490 4.198 50 0 HIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000229885594 568715789 /nfs/dbraw/zinc/71/57/89/568715789.db2.gz ZPZGLGQNLNPWBX-PWRODBHTSA-N 0 3 420.490 4.198 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000238900542 568727352 /nfs/dbraw/zinc/72/73/52/568727352.db2.gz JKBFEHQBJALXIB-YPAWHYETSA-N 0 3 402.425 4.185 50 0 HIAAHN O=C(Cc1ccc(Br)cc1)N1CCC(N2CCc3sccc3C2)CC1 ZINC000225689304 568779051 /nfs/dbraw/zinc/77/90/51/568779051.db2.gz ZNPXXTUQCBXHAY-UHFFFAOYSA-N 0 3 419.388 4.102 50 0 HIAAHN CC1CCN(CCNC(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)CC1 ZINC000057992220 568873031 /nfs/dbraw/zinc/87/30/31/568873031.db2.gz QJAQVBFGROTJLO-UHFFFAOYSA-N 0 3 404.530 4.198 50 0 HIAAHN COc1ccc2nc3oc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3cc2c1 ZINC000004057450 568936709 /nfs/dbraw/zinc/93/67/09/568936709.db2.gz OEZSBPDYCNVGAX-UHFFFAOYSA-N 0 3 415.493 4.384 50 0 HIAAHN O=C(NC[C@H](c1ccccc1)N1CCCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000670459600 568946144 /nfs/dbraw/zinc/94/61/44/568946144.db2.gz CFGKCZFEZMHNPK-XMMPIXPASA-N 0 3 402.542 4.279 50 0 HIAAHN C[C@H](N[C@@H](C)c1cccc(Br)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000084651613 568954786 /nfs/dbraw/zinc/95/47/86/568954786.db2.gz XFLCKTJQLLSWJB-KBPBESRZSA-N 0 3 411.365 4.111 50 0 HIAAHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1nnc(SCc2cccs2)s1 ZINC000084678430 568955475 /nfs/dbraw/zinc/95/54/75/568955475.db2.gz RCBZXYTZXNYZPC-QMTHXVAHSA-N 0 3 405.526 4.059 50 0 HIAAHN Cc1ccc(-n2ncc(C(=O)N3CCN(C4CCCCC4)CC3)c2-n2cccc2)cc1 ZINC000015681367 568967954 /nfs/dbraw/zinc/96/79/54/568967954.db2.gz FRCSOOPGWZZPCI-UHFFFAOYSA-N 0 3 417.557 4.062 50 0 HIAAHN CCOc1c(Br)cc(CN[C@@H](C)[C@H]2CCCO2)cc1Br ZINC000035273769 569016754 /nfs/dbraw/zinc/01/67/54/569016754.db2.gz OUWLEZKNMITPMX-IINYFYTJSA-N 0 3 407.146 4.267 50 0 HIAAHN O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000012892545 569020199 /nfs/dbraw/zinc/02/01/99/569020199.db2.gz PJCRBDSQOQMWGE-NQIIRXRSSA-N 0 3 410.341 4.179 50 0 HIAAHN COc1ccc(OCCN[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000016047199 569028290 /nfs/dbraw/zinc/02/82/90/569028290.db2.gz BPLIUYUPSGGOIT-UONOGXRCSA-N 0 3 411.329 4.236 50 0 HIAAHN CCS[C@@H]1CC[C@@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000229333089 569040461 /nfs/dbraw/zinc/04/04/61/569040461.db2.gz GLIYGQSVFUSNAY-ZHALLVOQSA-N 0 3 400.510 4.231 50 0 HIAAHN Cc1cccc(OCc2nc(CN(CCN(C)C)C(=O)C3CCCC3)cs2)c1 ZINC000036106601 569093209 /nfs/dbraw/zinc/09/32/09/569093209.db2.gz POMATOUKWQGOEW-UHFFFAOYSA-N 0 3 401.576 4.111 50 0 HIAAHN Cc1ccc(-c2noc(CCN(Cc3ccco3)C[C@H](O)Cc3ccccc3)n2)cc1 ZINC000036147362 569098587 /nfs/dbraw/zinc/09/85/87/569098587.db2.gz DEDDODFMWLIOAP-JOCHJYFZSA-N 0 3 417.509 4.286 50 0 HIAAHN CCc1cc(=O)oc2c1ccc1c2CN(C2CCN(Cc3ccccc3)CC2)CO1 ZINC000006760503 569113490 /nfs/dbraw/zinc/11/34/90/569113490.db2.gz SDNQHHCJQWDTCG-UHFFFAOYSA-N 0 3 404.510 4.172 50 0 HIAAHN CCN(CC)c1onc(-c2ccccc2)c1CN(CCN(C)C)C(=O)CC(C)C ZINC000036249509 569118526 /nfs/dbraw/zinc/11/85/26/569118526.db2.gz BBJLTPYIMGMTAG-UHFFFAOYSA-N 0 3 400.567 4.124 50 0 HIAAHN CCOC[C@H](O)CN(CCC(C)C)Cc1c(-c2ccccc2)noc1N(C)C(C)C ZINC000036249911 569119240 /nfs/dbraw/zinc/11/92/40/569119240.db2.gz IOPSWJJAAVNASF-OAQYLSRUSA-N 0 3 417.594 4.432 50 0 HIAAHN C[C@@H]1C[C@@H](C)CN([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)C1 ZINC000006809551 569133560 /nfs/dbraw/zinc/13/35/60/569133560.db2.gz VWIIVWRQISAIDK-LZJOCLMNSA-N 0 3 406.979 4.338 50 0 HIAAHN C[C@H](Cc1ccco1)NC(=O)C1CCN(Cc2cn(C)c3ccc(Cl)cc23)CC1 ZINC000065060082 569163882 /nfs/dbraw/zinc/16/38/82/569163882.db2.gz LIEZIOXGWWBZRN-MRXNPFEDSA-N 0 3 413.949 4.384 50 0 HIAAHN Cc1ccc2c(cc(NC(=O)C(C)C)cc2C(=O)N2CCN(C3CCCCC3)CC2)n1 ZINC000065136035 569183350 /nfs/dbraw/zinc/18/33/50/569183350.db2.gz RYRNZFSNSBLRSQ-UHFFFAOYSA-N 0 3 422.573 4.228 50 0 HIAAHN COCCn1c2ncccc2nc1[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000065285377 569216752 /nfs/dbraw/zinc/21/67/52/569216752.db2.gz IULISINVXLJUSK-INIZCTEOSA-N 0 3 404.436 4.086 50 0 HIAAHN CCN(CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1ccccc1 ZINC000007263607 569230810 /nfs/dbraw/zinc/23/08/10/569230810.db2.gz QCZJPPXKIDBUSR-JOCHJYFZSA-N 0 3 404.510 4.297 50 0 HIAAHN Cc1cc(O)c([C@H](c2ccccc2)N2CCC(C)CC2)c(=O)n1Cc1ccccn1 ZINC000016993725 569270828 /nfs/dbraw/zinc/27/08/28/569270828.db2.gz GJQDGZIWGKJUKK-DEOSSOPVSA-N 0 3 403.526 4.127 50 0 HIAAHN Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccn3)c2=O)N2CCCCC2)cc1 ZINC000017041120 569272229 /nfs/dbraw/zinc/27/22/29/569272229.db2.gz VSSNFSSMJUEYSV-DEOSSOPVSA-N 0 3 403.526 4.189 50 0 HIAAHN COc1cc(C(=O)NCc2ccccc2CN2CCCCC2)cc(Cl)c1OC ZINC000007850496 569314659 /nfs/dbraw/zinc/31/46/59/569314659.db2.gz GNUBFGOWEFFDDW-UHFFFAOYSA-N 0 3 402.922 4.273 50 0 HIAAHN CCN(CC)CCn1c2ccccc2n(CC(=O)c2ccc(C(F)(F)F)cc2)c1=N ZINC000253470665 569381097 /nfs/dbraw/zinc/38/10/97/569381097.db2.gz WWZBPOGINUQJRS-UHFFFAOYSA-N 0 3 418.463 4.166 50 0 HIAAHN CCCc1nc2sc3c(nc(SC)nc3NCCN(C)C)c2c2c1CCC2 ZINC000002410907 569396852 /nfs/dbraw/zinc/39/68/52/569396852.db2.gz JAGOVYXPYNEPIJ-UHFFFAOYSA-N 0 3 401.605 4.376 50 0 HIAAHN c1ccc(-c2nnn3c2nc(N2CCN(C4CCCCC4)CC2)c2ccccc23)cc1 ZINC000067263316 571061755 /nfs/dbraw/zinc/06/17/55/571061755.db2.gz QQNPZCFWIKTGLL-UHFFFAOYSA-N 0 3 412.541 4.399 50 0 HIAAHN COc1ccc([C@@H](CNC(=O)NCCc2ccc(Cl)cc2)N2CCCC2)cc1 ZINC000040001139 571137630 /nfs/dbraw/zinc/13/76/30/571137630.db2.gz KSCKXBCGOYTECU-OAQYLSRUSA-N 0 3 401.938 4.027 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)NCC3(c4ccccc4)CCC3)c(C)c2)CC1 ZINC000040103845 571164521 /nfs/dbraw/zinc/16/45/21/571164521.db2.gz WLROZAWUQOUKJD-UHFFFAOYSA-N 0 3 406.574 4.380 50 0 HIAAHN CC(C(=O)NC[C@H](C)c1ccccc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000040121866 571177850 /nfs/dbraw/zinc/17/78/50/571177850.db2.gz NKATZLRQYCMKDP-UONOGXRCSA-N 0 3 414.354 4.217 50 0 HIAAHN O=C(Nc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1)c1cccs1 ZINC000009950745 571291434 /nfs/dbraw/zinc/29/14/34/571291434.db2.gz VRSAXOSAOXEJOF-HXUWFJFHSA-N 0 3 405.523 4.005 50 0 HIAAHN C[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)[nH]c1=O)c1cccc2ccccc21 ZINC000011839491 845838149 /nfs/dbraw/zinc/83/81/49/845838149.db2.gz PKTFGFQDWCCSGK-SFHVURJKSA-N 0 3 403.526 4.251 50 0 HIAAHN COc1cccc([C@@H]2CCCN2Cc2cn(C)nc2-c2ccc3c(c2)OCCO3)c1 ZINC000011879904 845838984 /nfs/dbraw/zinc/83/89/84/845838984.db2.gz IEKSRBAXETWDOO-NRFANRHFSA-N 0 3 405.498 4.204 50 0 HIAAHN CCCC[C@@H]1CN(CCC(=O)NCCCc2scnc2C)Cc2ccccc2O1 ZINC000011964826 845843983 /nfs/dbraw/zinc/84/39/83/845843983.db2.gz VMXUMIIFHCDACC-HXUWFJFHSA-N 0 3 415.603 4.344 50 0 HIAAHN COc1ccccc1NC(=O)[C@@H]1CC12CCN(Cc1cccn1-c1cccnc1)CC2 ZINC000012122518 845855201 /nfs/dbraw/zinc/85/52/01/845855201.db2.gz BAYYKANEMSJKTO-NRFANRHFSA-N 0 3 416.525 4.122 50 0 HIAAHN Clc1ccc(-n2cccc2CN2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)nc1 ZINC000012434880 845870970 /nfs/dbraw/zinc/87/09/70/845870970.db2.gz JNHMFHBDSASAEW-LJQANCHMSA-N 0 3 424.932 4.373 50 0 HIAAHN COc1cc2nc(N(C)C)c(CN[C@H]3CCCc4ccccc43)cc2c(OC)c1OC ZINC000014958001 845994771 /nfs/dbraw/zinc/99/47/71/845994771.db2.gz FPXVQEKCZPMINO-FQEVSTJZSA-N 0 3 421.541 4.494 50 0 HIAAHN COc1cc2nc(N(C)C)c(CN[C@@H]3CCCc4ccccc43)cc2c(OC)c1OC ZINC000014957997 845994831 /nfs/dbraw/zinc/99/48/31/845994831.db2.gz FPXVQEKCZPMINO-HXUWFJFHSA-N 0 3 421.541 4.494 50 0 HIAAHN CSCc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3)o1 ZINC000015065594 846004880 /nfs/dbraw/zinc/00/48/80/846004880.db2.gz PKIOTSXPXJPKGN-QFIPXVFZSA-N 0 3 402.535 4.410 50 0 HIAAHN O=C(c1cn([C@H]2CCCN(Cc3ccc(-c4ccccc4)cc3)C2)nn1)N1CCCC1 ZINC000020256665 846382683 /nfs/dbraw/zinc/38/26/83/846382683.db2.gz JRCCVCJUBMCWHG-QHCPKHFHSA-N 0 3 415.541 4.018 50 0 HIAAHN COc1cccc([C@@H](CNC(=O)/C=C\c2ccc(OC(F)F)cc2)N2CCCC2)c1 ZINC000097985905 852646861 /nfs/dbraw/zinc/64/68/61/852646861.db2.gz XTHXIONLWBXZEE-ZDKIGPTLSA-N 0 3 416.468 4.263 50 0 HIAAHN O=C(/C=C\c1ccc(OCc2ccccn2)cc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000229891409 853893483 /nfs/dbraw/zinc/89/34/83/853893483.db2.gz LDALBWYMLKPNAA-LKAWRWRFSA-N 0 3 413.521 4.065 50 0 HIAAHN CC(C)N1CCc2nc[nH]c2[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000409419683 855483391 /nfs/dbraw/zinc/48/33/91/855483391.db2.gz FQPDGGUABVRMPL-HXUWFJFHSA-N 0 3 420.479 4.289 50 0 HIAAHN CCOc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1cccc(C)c1 ZINC000040720847 520714837 /nfs/dbraw/zinc/71/48/37/520714837.db2.gz KUCRFOKCIGLKFU-UHFFFAOYSA-N 0 3 418.965 4.048 50 0 HIAAHN CN(C)Cc1ccc(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1 ZINC000032930990 521908578 /nfs/dbraw/zinc/90/85/78/521908578.db2.gz QLFGSALNDCACIV-INIZCTEOSA-N 0 3 406.452 4.017 50 0 HIAAHN COc1cc(CNC[C@H](C)O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000040743977 522461442 /nfs/dbraw/zinc/46/14/42/522461442.db2.gz OCOOZECPSLWIEH-LBPRGKRZSA-N 0 3 414.727 4.161 50 0 HIAAHN Cc1ccc(NC(=O)COc2ccc3ccccc3c2CNC[C@@H]2CCCO2)cc1 ZINC000040736274 525071599 /nfs/dbraw/zinc/07/15/99/525071599.db2.gz BJGIXAQKEGPJIN-NRFANRHFSA-N 0 3 404.510 4.434 50 0 HIAAHN CSc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000032594009 526064985 /nfs/dbraw/zinc/06/49/85/526064985.db2.gz HEUORGNBNJZVBU-OAQYLSRUSA-N 0 3 422.550 4.320 50 0 HIAAHN CSc1ccccc1CN1CCC(CNC(=O)NCc2ccc(F)cc2)CC1 ZINC000043991690 526157400 /nfs/dbraw/zinc/15/74/00/526157400.db2.gz KOESVRVZOVMAJM-UHFFFAOYSA-N 0 3 401.551 4.259 50 0 HIAAHN Clc1ccc(COc2ccccc2CNCCCN2CCOCC2)cc1Cl ZINC000040719915 526951206 /nfs/dbraw/zinc/95/12/06/526951206.db2.gz IMOBFBJQIIIGFY-UHFFFAOYSA-N 0 3 409.357 4.384 50 0 HIAAHN OCCOCCNCc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040743478 527556684 /nfs/dbraw/zinc/55/66/84/527556684.db2.gz JQTLJARMLRVLAI-UHFFFAOYSA-N 0 3 404.721 4.324 50 0 HIAAHN Cc1ccc(CN2CCCN(c3ccc(NC(=O)c4ccc(F)cc4)cn3)CC2)cc1 ZINC000034681648 557383349 /nfs/dbraw/zinc/38/33/49/557383349.db2.gz DKFGGFUNBDOYEN-UHFFFAOYSA-N 0 3 418.516 4.494 50 0 HIAAHN O=C(Nc1ccc(N2CCCN(Cc3ccccc3)CC2)nc1)c1ccc(F)cc1 ZINC000034681662 557383380 /nfs/dbraw/zinc/38/33/80/557383380.db2.gz VSQOZNSQEUQRTI-UHFFFAOYSA-N 0 3 404.489 4.185 50 0 HIAAHN Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCCN(C)Cc4ccccc4)sc3c2c1 ZINC000004953612 557616824 /nfs/dbraw/zinc/61/68/24/557616824.db2.gz ZXZMGNTZGFSYNO-UHFFFAOYSA-N 0 3 419.550 4.303 50 0 HIAAHN Clc1cccc(-c2ccc(CNCCSc3nnnn3-c3ccccc3)o2)c1 ZINC000006767728 557720585 /nfs/dbraw/zinc/72/05/85/557720585.db2.gz PANRZVYBSKABQV-UHFFFAOYSA-N 0 3 411.918 4.458 50 0 HIAAHN Cc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3nc4ccccc4nc3C)C2)o1 ZINC000019742119 558262520 /nfs/dbraw/zinc/26/25/20/558262520.db2.gz MYGMLJKBKSJWKW-LJQANCHMSA-N 0 3 406.530 4.148 50 0 HIAAHN COc1ccc(C(=O)NCc2ccc(F)cc2)cc1OC1CCN(C(C)C)CC1 ZINC000011661091 558265022 /nfs/dbraw/zinc/26/50/22/558265022.db2.gz SAMPSPTXRSHQLS-UHFFFAOYSA-N 0 3 400.494 4.016 50 0 HIAAHN Cc1oc(-c2cccs2)nc1CN1CCN(CC2CCCCC2)[C@@H](CCO)C1 ZINC000019770449 558279458 /nfs/dbraw/zinc/27/94/58/558279458.db2.gz HVNAHHKBCKYEDB-IBGZPJMESA-N 0 3 403.592 4.160 50 0 HIAAHN COc1cc(OC)c(OC)cc1CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000019781960 558281340 /nfs/dbraw/zinc/28/13/40/558281340.db2.gz SAVKFIMIEUIRHH-UHFFFAOYSA-N 0 3 406.526 4.183 50 0 HIAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CNCC[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000011819237 558282516 /nfs/dbraw/zinc/28/25/16/558282516.db2.gz CPXKRHXNAAXSIZ-QHAWAJNXSA-N 0 3 406.574 4.351 50 0 HIAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1ccc(C)cc1 ZINC000011840565 558286759 /nfs/dbraw/zinc/28/67/59/558286759.db2.gz IADLMRVCHLJDPT-UHFFFAOYSA-N 0 3 410.558 4.004 50 0 HIAAHN CN(C(=O)c1ccc(-c2ncc[nH]2)s1)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000011936749 558300809 /nfs/dbraw/zinc/30/08/09/558300809.db2.gz FEQKHYHHVFAVJU-IBGZPJMESA-N 0 3 408.571 4.307 50 0 HIAAHN O=C(NCCc1ccccc1)c1cccc(OC2CCN([C@H]3CCSC3)CC2)c1 ZINC000011945788 558302161 /nfs/dbraw/zinc/30/21/61/558302161.db2.gz ZSKCFYXKWINUOR-NRFANRHFSA-N 0 3 410.583 4.008 50 0 HIAAHN COc1ccc(C(=O)N2CCC[C@@H]3CN(C/C=C/c4ccccc4)CC[C@H]32)c(OC)c1 ZINC000011981639 558306020 /nfs/dbraw/zinc/30/60/20/558306020.db2.gz UFMGSPFAFZFTSW-WUIXQLRJSA-N 0 3 420.553 4.344 50 0 HIAAHN CCOC(=O)C1(c2ccccc2)CCN(CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000019925174 558307603 /nfs/dbraw/zinc/30/76/03/558307603.db2.gz XDAUJKLXDKALEH-UHFFFAOYSA-N 0 3 414.933 4.266 50 0 HIAAHN Cc1ccc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)s1 ZINC000012003844 558308623 /nfs/dbraw/zinc/30/86/23/558308623.db2.gz UKJXDIPOMCHQSY-UHFFFAOYSA-N 0 3 424.526 4.071 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000012017406 558309261 /nfs/dbraw/zinc/30/92/61/558309261.db2.gz RVEWCUFWWOMOPX-CEXWTWQISA-N 0 3 410.882 4.453 50 0 HIAAHN O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1ccc(F)cc1F ZINC000012037835 558312053 /nfs/dbraw/zinc/31/20/53/558312053.db2.gz YAEMTQWHWARAOW-INIZCTEOSA-N 0 3 422.859 4.018 50 0 HIAAHN CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)CCc4cnccn4)C3)C2)cc1 ZINC000012052722 558314666 /nfs/dbraw/zinc/31/46/66/558314666.db2.gz QSOPSUBRLFQWCY-VWLOTQADSA-N 0 3 406.574 4.047 50 0 HIAAHN O=C(NC[C@@H]1CCC2(CCN(Cc3ccc(F)cc3)CC2)O1)c1cccc(F)c1F ZINC000012054864 558315435 /nfs/dbraw/zinc/31/54/35/558315435.db2.gz ORTSCYPRVAFWPF-SFHVURJKSA-N 0 3 418.459 4.048 50 0 HIAAHN Cc1cc(-c2nn(-c3ccccc3F)cc2CN[C@H]2CCCCNC2=O)c(C)s1 ZINC000012073908 558318668 /nfs/dbraw/zinc/31/86/68/558318668.db2.gz JNQPXCRXNGNCGC-IBGZPJMESA-N 0 3 412.534 4.115 50 0 HIAAHN Cc1ccc(NC(=O)CC2C(=O)N(Cc3ccco3)c3nc4ccccc4n32)cc1 ZINC000020103471 558332464 /nfs/dbraw/zinc/33/24/64/558332464.db2.gz QEJTZVNRGOUZHF-HXUWFJFHSA-N 0 3 400.438 4.054 50 0 HIAAHN COc1ccc(-c2n[nH]cc2CN2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000012196564 558349844 /nfs/dbraw/zinc/34/98/44/558349844.db2.gz JCAYFPQDTGTLFQ-DEOSSOPVSA-N 0 3 409.505 4.042 50 0 HIAAHN COc1cc(CNCc2ccc(C)cc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000020367340 558358491 /nfs/dbraw/zinc/35/84/91/558358491.db2.gz KXHOPXQLXPSXLI-UHFFFAOYSA-N 0 3 401.470 4.061 50 0 HIAAHN Cc1ccc(C)c(CN2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)c1 ZINC000012241957 558360591 /nfs/dbraw/zinc/36/05/91/558360591.db2.gz QCKFBFNESUEUHX-UGKGYDQZSA-N 0 3 422.598 4.440 50 0 HIAAHN CCOC(=O)N1CCC(N2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)CC1 ZINC000012314009 558377487 /nfs/dbraw/zinc/37/74/87/558377487.db2.gz VHJLPOZSSNYTRV-FQEVSTJZSA-N 0 3 420.553 4.454 50 0 HIAAHN CSCc1ccc(C(=O)N(C)CC2CCN(CCc3ccccc3F)CC2)o1 ZINC000012438450 558410092 /nfs/dbraw/zinc/41/00/92/558410092.db2.gz IKGAWMVYIBMIOJ-UHFFFAOYSA-N 0 3 404.551 4.308 50 0 HIAAHN O=C(NC[C@@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2)C1)c1cccnc1 ZINC000012441804 558412342 /nfs/dbraw/zinc/41/23/42/558412342.db2.gz POGRSJPRGRDKRR-QHCPKHFHSA-N 0 3 415.537 4.303 50 0 HIAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000012446037 558414102 /nfs/dbraw/zinc/41/41/02/558414102.db2.gz KUPDQQUXBBHHOQ-UHFFFAOYSA-N 0 3 420.532 4.038 50 0 HIAAHN CCCOc1c(Br)cc(Br)cc1CNCCCCCO ZINC000020929974 558424096 /nfs/dbraw/zinc/42/40/96/558424096.db2.gz BYGYTHBMZAAKDI-UHFFFAOYSA-N 0 3 409.162 4.253 50 0 HIAAHN CCCc1nc(-n2cccc2)sc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000020946469 558424913 /nfs/dbraw/zinc/42/49/13/558424913.db2.gz JNKLNNXUQVEBTN-UHFFFAOYSA-N 0 3 408.571 4.281 50 0 HIAAHN Cc1cccc(CN2C(=O)C(CC(=O)Nc3ccccc3)n3c4ccccc4nc32)c1 ZINC000021005929 558428887 /nfs/dbraw/zinc/42/88/87/558428887.db2.gz XTVCGPUTXPHIMS-JOCHJYFZSA-N 0 3 410.477 4.461 50 0 HIAAHN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3cc(C)c(C)o3)C2)c(OC)c1 ZINC000012577655 558431558 /nfs/dbraw/zinc/43/15/58/558431558.db2.gz GELCWNDADJTUIZ-LJQANCHMSA-N 0 3 414.546 4.222 50 0 HIAAHN O=C(Nc1ccnn1C1CCN(Cc2cccc(OC3CCCC3)c2)CC1)C1CC1 ZINC000012718442 558455963 /nfs/dbraw/zinc/45/59/63/558455963.db2.gz FEICNSKQSVBTMV-UHFFFAOYSA-N 0 3 408.546 4.390 50 0 HIAAHN Cc1cccc(OCCN(C)Cc2cc(=O)oc3cc(Br)ccc23)c1 ZINC000012999572 558499889 /nfs/dbraw/zinc/49/98/89/558499889.db2.gz JSYPOUKDMNHJSM-UHFFFAOYSA-N 0 3 402.288 4.375 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(O)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013511262 558535590 /nfs/dbraw/zinc/53/55/90/558535590.db2.gz YVHMGXOOHASBAF-QHAWAJNXSA-N 0 3 420.852 4.097 50 0 HIAAHN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010905063 558551091 /nfs/dbraw/zinc/55/10/91/558551091.db2.gz BQJXMQSHWBZJQP-UHFFFAOYSA-N 0 3 416.569 4.464 50 0 HIAAHN Cc1ccc(NC(=O)CC2C(=O)N(Cc3ccccc3)c3nc4ccccc4n32)cc1 ZINC000023382064 558555439 /nfs/dbraw/zinc/55/54/39/558555439.db2.gz BTSDVNFLTMPHOG-JOCHJYFZSA-N 0 3 410.477 4.461 50 0 HIAAHN CSc1nc2c3c(sc2c2nnc(SCCN4CCCC4)n21)CCCC3 ZINC000013656386 558559064 /nfs/dbraw/zinc/55/90/64/558559064.db2.gz FEPKGDQNWFLUAQ-UHFFFAOYSA-N 0 3 405.618 4.128 50 0 HIAAHN Cc1ccc(C)c(OCCCN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000014022941 558614586 /nfs/dbraw/zinc/61/45/86/558614586.db2.gz AJSDCHVTKIXJMF-UHFFFAOYSA-N 0 3 410.514 4.152 50 0 HIAAHN CN1CCC(N(Cc2ccco2)C(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1 ZINC000024838769 558616451 /nfs/dbraw/zinc/61/64/51/558616451.db2.gz PKCBKXAWVJXTAJ-UHFFFAOYSA-N 0 3 422.525 4.406 50 0 HIAAHN CN1CCC2(CC1)C[C@H](NC(=O)Nc1nc3ccccc3s1)c1ccccc1O2 ZINC000027345436 558672229 /nfs/dbraw/zinc/67/22/29/558672229.db2.gz YDYZZWWDJWFRTP-KRWDZBQOSA-N 0 3 408.527 4.406 50 0 HIAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)Cc1ccccc1Cl ZINC000014976047 558689265 /nfs/dbraw/zinc/68/92/65/558689265.db2.gz XQHXAUXGTXJZEC-UHFFFAOYSA-N 0 3 402.941 4.435 50 0 HIAAHN COc1ccc(NC(=O)N(C)C[C@H]2CCCN(CCc3ccccc3OC)C2)cc1 ZINC000015063888 558706418 /nfs/dbraw/zinc/70/64/18/558706418.db2.gz YUGDNLDRJVRAPJ-LJQANCHMSA-N 0 3 411.546 4.122 50 0 HIAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2ccc3cc(OC)ccc3c2)C1 ZINC000015068689 558711279 /nfs/dbraw/zinc/71/12/79/558711279.db2.gz ATYUHABYIADXDK-NRFANRHFSA-N 0 3 420.557 4.319 50 0 HIAAHN O=C(COc1ccc(Oc2ccccn2)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000029562970 558716768 /nfs/dbraw/zinc/71/67/68/558716768.db2.gz XIZPURKTORJNHL-UHFFFAOYSA-N 0 3 417.509 4.034 50 0 HIAAHN Cc1cc(CN2CCN(c3cc(C)nc4ccc(OC(F)(F)F)cc43)CC2)no1 ZINC000072286168 558717065 /nfs/dbraw/zinc/71/70/65/558717065.db2.gz JRFLIWHBSWPCIF-UHFFFAOYSA-N 0 3 406.408 4.060 50 0 HIAAHN COc1cc(CN(C)C(=O)CN([C@@H](C)C2CC2)C2CC2)ccc1OCc1ccccc1 ZINC000029725478 558719203 /nfs/dbraw/zinc/71/92/03/558719203.db2.gz ZTQIWKUZELCGLF-IBGZPJMESA-N 0 3 422.569 4.496 50 0 HIAAHN CC(C)CNCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1F)CC[C@@H](C)C2 ZINC000004554473 558722136 /nfs/dbraw/zinc/72/21/36/558722136.db2.gz BROBFOHYQCOUCZ-CQSZACIVSA-N 0 3 417.550 4.448 50 0 HIAAHN CCCNCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1F)CC[C@H](C)C2 ZINC000004554476 558722214 /nfs/dbraw/zinc/72/22/14/558722214.db2.gz UJDIRCFXVYKQCU-ZDUSSCGKSA-N 0 3 403.523 4.202 50 0 HIAAHN CN(CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C1CCCCC1 ZINC000015376743 558736295 /nfs/dbraw/zinc/73/62/95/558736295.db2.gz MYDAFEAKPLCCJM-UHFFFAOYSA-N 0 3 420.601 4.212 50 0 HIAAHN COc1ccccc1-c1cc2nc(C)cc(N3CCN(C4CCCCC4)CC3)n2n1 ZINC000015670910 558748304 /nfs/dbraw/zinc/74/83/04/558748304.db2.gz DMAPPNWMOFOULH-UHFFFAOYSA-N 0 3 405.546 4.168 50 0 HIAAHN COc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1Cl ZINC000011094065 558759840 /nfs/dbraw/zinc/75/98/40/558759840.db2.gz PFMVTGZMBUMYRX-SPLOXXLWSA-N 0 3 418.921 4.434 50 0 HIAAHN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CCN(C)C)C(=O)CC(C)C ZINC000036249317 558798774 /nfs/dbraw/zinc/79/87/74/558798774.db2.gz OHEUXGAXKCZVJM-UHFFFAOYSA-N 0 3 418.557 4.263 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000004693740 558903960 /nfs/dbraw/zinc/90/39/60/558903960.db2.gz TYJWFNFJWIQGNP-QHAWAJNXSA-N 0 3 406.388 4.016 50 0 HIAAHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000058292141 558916867 /nfs/dbraw/zinc/91/68/67/558916867.db2.gz HMAUDJBMDXAXTR-FYYLOGMGSA-N 0 3 413.537 4.067 50 0 HIAAHN COc1ccc(/C=C/c2c(-c3ccccc3)ncn2CCN2CCC(O)CC2)cc1 ZINC000065493130 558978204 /nfs/dbraw/zinc/97/82/04/558978204.db2.gz REQYGSKYDRTLJP-FMIVXFBMSA-N 0 3 403.526 4.186 50 0 HIAAHN Cc1cccc(CN2CCC(C(=O)N(C)Cc3nc(-c4ccccc4C)no3)CC2)c1 ZINC000067613212 558989195 /nfs/dbraw/zinc/98/91/95/558989195.db2.gz VCRHTQMHSNHWCD-UHFFFAOYSA-N 0 3 418.541 4.224 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000100722355 559138465 /nfs/dbraw/zinc/13/84/65/559138465.db2.gz JKBFEHQBJALXIB-FDFHNCONSA-N 0 3 402.425 4.185 50 0 HIAAHN CCN1CCC[C@H]1CNC(=O)CSCc1nc(-c2ccc(SC)cc2)oc1C ZINC000005057550 559237954 /nfs/dbraw/zinc/23/79/54/559237954.db2.gz IYMNYAHVBPYLNV-KRWDZBQOSA-N 0 3 419.616 4.206 50 0 HIAAHN CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(OC)cc3OC)=NN12 ZINC000005092634 559244022 /nfs/dbraw/zinc/24/40/22/559244022.db2.gz XNMQVBDVPHHCNR-NRFANRHFSA-N 0 3 407.514 4.059 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)NCc3ccccc3OC(F)F)cc2C)CC1 ZINC000062581475 559273786 /nfs/dbraw/zinc/27/37/86/559273786.db2.gz AAIYOUZAGOCWJZ-UHFFFAOYSA-N 0 3 418.488 4.060 50 0 HIAAHN Oc1c2onc(-c3ccc(Cl)cc3Cl)c2c(O)n1-c1ccc2ccccc2c1 ZINC000101080730 560772379 /nfs/dbraw/zinc/77/23/79/560772379.db2.gz IQKUNDRVXZTMDX-MJGOQNOKSA-N 0 3 411.244 4.439 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102709937 560820937 /nfs/dbraw/zinc/82/09/37/560820937.db2.gz FSDUJCWLMIKSOR-PWRODBHTSA-N 0 3 420.852 4.097 50 0 HIAAHN Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)cc1Cl ZINC000103561098 560843294 /nfs/dbraw/zinc/84/32/94/560843294.db2.gz ARLOYYNQWRYBCI-PWRODBHTSA-N 0 3 419.868 4.095 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@@H]3C2=O)cc1Cl ZINC000103561098 560843295 /nfs/dbraw/zinc/84/32/95/560843295.db2.gz ARLOYYNQWRYBCI-PWRODBHTSA-N 0 3 419.868 4.095 50 0 HIAAHN CCN(CC(=O)Nc1ccc(OC(F)F)cc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000106160287 560884807 /nfs/dbraw/zinc/88/48/07/560884807.db2.gz VCWORKIBBHLLMB-YLJYHZDGSA-N 0 3 417.500 4.384 50 0 HIAAHN CC(C)N(Cc1nc(-c2ccc(Br)s2)no1)[C@@H]1CCCC[C@H]1O ZINC000107538059 560896607 /nfs/dbraw/zinc/89/66/07/560896607.db2.gz IXSQVEZGBODXMZ-VXGBXAGGSA-N 0 3 400.342 4.075 50 0 HIAAHN CCN1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccc(C)c(C)c2)CC1 ZINC000020107752 568588309 /nfs/dbraw/zinc/58/83/09/568588309.db2.gz YCRKEYXNFHZTAX-UHFFFAOYSA-N 0 3 414.619 4.123 50 0 HIAAHN CN1CCN(CCc2cccc(NC(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)c2)CC1 ZINC000095457783 568618744 /nfs/dbraw/zinc/61/87/44/568618744.db2.gz XWTDBUHFUKATNV-CLJLJLNGSA-N 0 3 413.565 4.372 50 0 HIAAHN CC[C@H](C)N(CCNC(=O)c1noc2c1COc1ccc(C)cc1-2)Cc1ccco1 ZINC000020510071 568621053 /nfs/dbraw/zinc/62/10/53/568621053.db2.gz HVRRPFJRTGIMME-INIZCTEOSA-N 0 3 409.486 4.166 50 0 HIAAHN COc1ccc(F)c2[nH]c(C(=O)Nc3ccc(CCN4CCSCC4)cc3)cc21 ZINC000225418356 568635982 /nfs/dbraw/zinc/63/59/82/568635982.db2.gz RZWJMLGTBPTCJP-UHFFFAOYSA-N 0 3 413.518 4.159 50 0 HIAAHN CCN1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccccc2OC)C1 ZINC000020927424 568651558 /nfs/dbraw/zinc/65/15/58/568651558.db2.gz NHULGWCGVVQXSR-UHFFFAOYSA-N 0 3 410.543 4.247 50 0 HIAAHN CCCC[C@@H]1[C@@H]2C(=O)N(c3ccc(OCCC)cc3)C(=O)C2ON1c1ccccc1 ZINC000226987267 568698788 /nfs/dbraw/zinc/69/87/88/568698788.db2.gz HTHMRCIAPOXXJW-BHIFYINESA-N 0 3 408.498 4.344 50 0 HIAAHN CCC[C@@H]1[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)C2ON1c1ccccc1 ZINC000226984791 568698878 /nfs/dbraw/zinc/69/88/78/568698878.db2.gz OAEOLBCEEPGHDO-SOLBZPMBSA-N 0 3 405.281 4.472 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000229947913 568715933 /nfs/dbraw/zinc/71/59/33/568715933.db2.gz GLUBGJJHSQFDME-PWRODBHTSA-N 0 3 404.853 4.391 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000229951026 568716001 /nfs/dbraw/zinc/71/60/01/568716001.db2.gz GRRKMZLJNJMNDH-PWRODBHTSA-N 0 3 404.853 4.391 50 0 HIAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4C)[C@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000229969095 568716335 /nfs/dbraw/zinc/71/63/35/568716335.db2.gz NBDBZMFKTUEVEG-PWRODBHTSA-N 0 3 420.490 4.116 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@@H]3C2=O)c(C)c1 ZINC000229992027 568716630 /nfs/dbraw/zinc/71/66/30/568716630.db2.gz BCOGPEAYQAMWRM-PWRODBHTSA-N 0 3 404.491 4.416 50 0 HIAAHN CC(C)c1ccc(NC(=O)[C@H]2C[C@H]3CCCN3[C@]23c2ccccc2N(C)C3=O)cc1 ZINC000096286776 568719305 /nfs/dbraw/zinc/71/93/05/568719305.db2.gz QYJAPSHWSKIMAH-DZRGJMJISA-N 0 3 403.526 4.105 50 0 HIAAHN CNC(=O)c1ccnc(N2CC[C@]3(C2)CCCN(Cc2ccc(C(C)C)cc2)C3)c1 ZINC000426641623 568724039 /nfs/dbraw/zinc/72/40/39/568724039.db2.gz YAAWLRQZAGVMFP-RUZDIDTESA-N 0 3 406.574 4.057 50 0 HIAAHN Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000002890322 568815069 /nfs/dbraw/zinc/81/50/69/568815069.db2.gz WMGBHQRLJYYYMU-HXUWFJFHSA-N 0 3 410.901 4.252 50 0 HIAAHN CCN1CCC[C@@H]1CNCc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000261491780 568820099 /nfs/dbraw/zinc/82/00/99/568820099.db2.gz JBZYDFRNAJZENY-OAQYLSRUSA-N 0 3 409.965 4.221 50 0 HIAAHN CCN1CCC[C@H]1CNCc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000261491779 568820208 /nfs/dbraw/zinc/82/02/08/568820208.db2.gz JBZYDFRNAJZENY-NRFANRHFSA-N 0 3 409.965 4.221 50 0 HIAAHN COc1ccc(C[C@@H](NCC(=O)N2CCc3ccccc32)c2ccc(OC)cc2)cc1 ZINC000057292101 568826226 /nfs/dbraw/zinc/82/62/26/568826226.db2.gz BDYCLPYMSRRQRP-XMMPIXPASA-N 0 3 416.521 4.167 50 0 HIAAHN COc1ccc(CNC[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)cc1OC ZINC000005936009 568830538 /nfs/dbraw/zinc/83/05/38/568830538.db2.gz PNUUMSFMETUGDF-ATIYNZHBSA-N 0 3 421.537 4.269 50 0 HIAAHN CC(C)N(Cc1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)cc1)C[C@H]1CCCCO1 ZINC000230215460 568855179 /nfs/dbraw/zinc/85/51/79/568855179.db2.gz JTRPZPKVTGCZQP-VQIMIIECSA-N 0 3 416.484 4.372 50 0 HIAAHN CCN(CC)[C@@H](CNC(=O)/C=C/c1c(C)nc2sc(C)cn12)c1ccsc1 ZINC000058954575 568934699 /nfs/dbraw/zinc/93/46/99/568934699.db2.gz LDXMHBLERWMAHX-DVBCCOPCSA-N 0 3 402.589 4.287 50 0 HIAAHN CCOC(=O)c1c2c(sc1NC(=O)c1cccc(F)c1)C(C)(C)NC(C)(C)C2 ZINC000004275290 568962354 /nfs/dbraw/zinc/96/23/54/568962354.db2.gz VNRPWNFJQIQVOM-UHFFFAOYSA-N 0 3 404.507 4.476 50 0 HIAAHN CCOC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1CC(C)(C)NC2(C)C ZINC000004275291 568962444 /nfs/dbraw/zinc/96/24/44/568962444.db2.gz WKPRHROXKVCVOB-UHFFFAOYSA-N 0 3 416.543 4.345 50 0 HIAAHN CCN1CCC(N(Cc2cccs2)C(=O)Nc2cc(OC)cc(OC)c2)CC1 ZINC000015679770 568966834 /nfs/dbraw/zinc/96/68/34/568966834.db2.gz GESHPUHGBVJZQW-UHFFFAOYSA-N 0 3 403.548 4.284 50 0 HIAAHN CN(CCC(=O)Nc1ccnn1C1CCCC1)Cc1ccccc1OC(F)(F)F ZINC000012790933 568967809 /nfs/dbraw/zinc/96/78/09/568967809.db2.gz OXNMWEYKMCSJAY-UHFFFAOYSA-N 0 3 410.440 4.357 50 0 HIAAHN CCOC(=O)c1c(C)oc2nc(C)nc(NCCN(Cc3ccco3)[C@H](C)CC)c21 ZINC000015727455 568978355 /nfs/dbraw/zinc/97/83/55/568978355.db2.gz YVXTYUNEAPOEEK-CQSZACIVSA-N 0 3 414.506 4.322 50 0 HIAAHN Cc1cc(CSc2ncccc2C(=O)NC2CCN(Cc3ccccc3)CC2)no1 ZINC000008316202 568990308 /nfs/dbraw/zinc/99/03/08/568990308.db2.gz PBBOACTVBJZFQL-UHFFFAOYSA-N 0 3 422.554 4.065 50 0 HIAAHN CCOc1ccc(OC[C@H](O)CN2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000006086921 568997948 /nfs/dbraw/zinc/99/79/48/568997948.db2.gz NJKHRSJAFYFJLP-ZWKOTPCHSA-N 0 3 412.555 4.314 50 0 HIAAHN CCOC(=O)c1ccc(NC(=O)CN[C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000012849691 569010372 /nfs/dbraw/zinc/01/03/72/569010372.db2.gz GDOFOINTBMDLGH-QHCPKHFHSA-N 0 3 402.494 4.375 50 0 HIAAHN COc1cc2cc(C(=O)NCc3ccccc3CN3CCCCC3)[nH]c2c(OC)c1 ZINC000012911990 569021827 /nfs/dbraw/zinc/02/18/27/569021827.db2.gz WIPYSXKMOZXESE-UHFFFAOYSA-N 0 3 407.514 4.101 50 0 HIAAHN Cc1ccc(-c2[nH]nc3c2C(C(=O)c2ccc(Br)cc2)CC(=O)N3)cc1 ZINC000035511563 569043089 /nfs/dbraw/zinc/04/30/89/569043089.db2.gz LOJHKJLDWGMGBQ-OAHLLOKOSA-N 0 3 410.271 4.456 50 0 HIAAHN O=C(/C=C/c1ccc(OCc2ccccn2)cc1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000036397303 569048044 /nfs/dbraw/zinc/04/80/44/569048044.db2.gz LDALBWYMLKPNAA-UDFXALJUSA-N 0 3 413.521 4.065 50 0 HIAAHN COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCCC(C)=C5C[C@H]34)CC2)c1 ZINC000245310110 569055687 /nfs/dbraw/zinc/05/56/87/569055687.db2.gz HWHLLITUISOPCT-APAYAGTCSA-N 0 3 424.585 4.276 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000245327711 569055976 /nfs/dbraw/zinc/05/59/76/569055976.db2.gz PQRXXEZTUSVBNK-NJDAHSKKSA-N 0 3 404.853 4.391 50 0 HIAAHN Cc1cccc(N2CCN(CCCCNC(=O)c3ccc(Cl)cc3F)CC2)c1 ZINC000026957909 569061589 /nfs/dbraw/zinc/06/15/89/569061589.db2.gz BXEHRHCXFNKIEX-UHFFFAOYSA-N 0 3 403.929 4.120 50 0 HIAAHN COc1ccc(CN(CCC(C)C)C[C@@H](O)COc2ccccc2C)cc1OC ZINC000036096137 569089610 /nfs/dbraw/zinc/08/96/10/569089610.db2.gz AJBCWJOBJFYYIJ-OAQYLSRUSA-N 0 3 401.547 4.300 50 0 HIAAHN C[C@@H]1C[C@H](C)CN([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)C1 ZINC000006809549 569133532 /nfs/dbraw/zinc/13/35/32/569133532.db2.gz VWIIVWRQISAIDK-FVJLSDCUSA-N 0 3 406.979 4.338 50 0 HIAAHN O=C(NCCN1CCCCCC1)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025598 569156462 /nfs/dbraw/zinc/15/64/62/569156462.db2.gz YFRRKVNSZCXPCY-UHFFFAOYSA-N 0 3 421.589 4.494 50 0 HIAAHN O=C(Nc1cccc(F)c1)c1ccc(N2CC[C@H](NCc3ccc(Cl)cc3)C2)nc1 ZINC000065257021 569208505 /nfs/dbraw/zinc/20/85/05/569208505.db2.gz AJKPKASUTTWREU-NRFANRHFSA-N 0 3 424.907 4.495 50 0 HIAAHN CCOc1ccccc1CN[C@@H]1CCN(c2ccc(C(=O)Nc3ccccc3)cn2)C1 ZINC000065257037 569208616 /nfs/dbraw/zinc/20/86/16/569208616.db2.gz LQJIOTVXUUOAFW-JOCHJYFZSA-N 0 3 416.525 4.101 50 0 HIAAHN COc1ccc([C@H]2CC(c3ccccc3O)=NC3(CCN(C(C)C)CC3)N2)cc1OC ZINC000065298562 569219377 /nfs/dbraw/zinc/21/93/77/569219377.db2.gz PVUHSVJCOWYSNG-HXUWFJFHSA-N 0 3 423.557 4.134 50 0 HIAAHN Cc1nc2c(n1[C@@H]1CCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)C1)CCCC2 ZINC000170616698 569247550 /nfs/dbraw/zinc/24/75/50/569247550.db2.gz FBPQUYHVPWLHRL-GOSISDBHSA-N 0 3 422.554 4.370 50 0 HIAAHN COc1ccc(CCN(C(=O)c2ccccc2)C2=C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000000759556 569276778 /nfs/dbraw/zinc/27/67/78/569276778.db2.gz LWQRWVCCOBVUNU-RTWAWAEBSA-N 0 3 406.526 4.139 50 0 HIAAHN CC(C)N1CC[C@@H](NCCS(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252515541 569292154 /nfs/dbraw/zinc/29/21/54/569292154.db2.gz LFSRMIGYHJCRRK-NHCUHLMSSA-N 0 3 424.969 4.066 50 0 HIAAHN COc1ccc(C)cc1NC(=O)CNC(=O)CN([C@@H](C)c1ccccc1)C1CCCC1 ZINC000253427363 569368426 /nfs/dbraw/zinc/36/84/26/569368426.db2.gz FJKSQLYGGBXSHJ-IBGZPJMESA-N 0 3 423.557 4.064 50 0 HIAAHN O[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1CCc2ccccc2C1 ZINC000008693809 571102318 /nfs/dbraw/zinc/10/23/18/571102318.db2.gz CYHBKMMUFASPIH-DEOSSOPVSA-N 0 3 409.476 4.490 50 0 HIAAHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(Cn2cccn2)cc1 ZINC000040142749 571193507 /nfs/dbraw/zinc/19/35/07/571193507.db2.gz HIJJVJCJIWDQGB-DEOSSOPVSA-N 0 3 416.569 4.134 50 0 HIAAHN CN1CCCN(c2ccc(NC(=O)CCc3nc4ccccc4s3)cc2F)CC1 ZINC000040145544 571195682 /nfs/dbraw/zinc/19/56/82/571195682.db2.gz PVUWRLDUBUFYHO-UHFFFAOYSA-N 0 3 412.534 4.149 50 0 HIAAHN O=C(CNC(=O)Cc1cccc2ccccc21)Nc1cccc(CN2CCCCC2)c1 ZINC000069923757 571250004 /nfs/dbraw/zinc/25/00/04/571250004.db2.gz BVXJYJLLSMYVQW-UHFFFAOYSA-N 0 3 415.537 4.123 50 0 HIAAHN CN(C)[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)Cc1ccccc1 ZINC000009377858 571253128 /nfs/dbraw/zinc/25/31/28/571253128.db2.gz PORUETWUMUILJZ-OAQYLSRUSA-N 0 3 410.521 4.200 50 0 HIAAHN CCOc1cccc2c1OC1(CCN(CC)CC1)N1N=C(c3cccc(O)c3)C[C@H]21 ZINC000010214571 571296983 /nfs/dbraw/zinc/29/69/83/571296983.db2.gz AIXGBBZVNOKDHN-OAQYLSRUSA-N 0 3 407.514 4.146 50 0 HIAAHN COc1cc(OC)cc(C(=O)NC[C@H](c2cccc3ccccc32)N2CCCC2)c1 ZINC000010330533 571300457 /nfs/dbraw/zinc/30/04/57/571300457.db2.gz GDYMJTNUQPYGHM-XMMPIXPASA-N 0 3 404.510 4.424 50 0 HIAAHN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N2CCCC2)cc1 ZINC000010333912 571300612 /nfs/dbraw/zinc/30/06/12/571300612.db2.gz NMGHZTZONHPRHK-QHCPKHFHSA-N 0 3 401.510 4.040 50 0 HIAAHN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1cccc2ccccc21)N(C)C ZINC000010333813 571300693 /nfs/dbraw/zinc/30/06/93/571300693.db2.gz PBLPBHWJGXWCSI-NRFANRHFSA-N 0 3 409.917 4.159 50 0 HIAAHN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N(C)C)cc1Cl ZINC000010333795 571300724 /nfs/dbraw/zinc/30/07/24/571300724.db2.gz JUQDBDDXSZBIDT-NRFANRHFSA-N 0 3 409.917 4.159 50 0 HIAAHN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N2CCCC2)cc1C ZINC000010334214 571300783 /nfs/dbraw/zinc/30/07/83/571300783.db2.gz JWWHIOPOWYCWKQ-DEOSSOPVSA-N 0 3 415.537 4.348 50 0 HIAAHN O=C(Nc1nc2ccccc2n1CCN1CCCCC1)c1ccc(Br)o1 ZINC000028305489 571307518 /nfs/dbraw/zinc/30/75/18/571307518.db2.gz FUGUCDIEKORUPD-UHFFFAOYSA-N 0 3 417.307 4.130 50 0 HIAAHN CCc1ccc(CN2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)o1 ZINC000011843864 845837904 /nfs/dbraw/zinc/83/79/04/845837904.db2.gz GWMHITXUWTZADL-QHCPKHFHSA-N 0 3 423.601 4.179 50 0 HIAAHN CCCC[C@H]1CN(CCC(=O)NCCCc2scnc2C)Cc2ccccc2O1 ZINC000011964830 845843913 /nfs/dbraw/zinc/84/39/13/845843913.db2.gz VMXUMIIFHCDACC-FQEVSTJZSA-N 0 3 415.603 4.344 50 0 HIAAHN CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)c2csc(-c3cccs3)n2)C1 ZINC000012448139 845871241 /nfs/dbraw/zinc/87/12/41/845871241.db2.gz SPRRXNFYVBTYJA-QGZVFWFLSA-N 0 3 412.584 4.393 50 0 HIAAHN O=C1N(C2CCCC2)C[C@@H]2C[C@@H](c3c[nH]nc3-c3ccc(Cl)cc3)N3CCC[C@@]123 ZINC000013594826 845917247 /nfs/dbraw/zinc/91/72/47/845917247.db2.gz SLXWGUUHYCRUHN-GRWTVWFQSA-N 0 3 410.949 4.411 50 0 HIAAHN CCOc1c(Cl)cc(/C=C\C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000096585380 852551488 /nfs/dbraw/zinc/55/14/88/852551488.db2.gz MSDHGZNDKRMDJW-ZBTAVZRMSA-N 0 3 414.933 4.151 50 0 HIAAHN CC(C)N1CCc2nc[nH]c2[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000409419682 855483379 /nfs/dbraw/zinc/48/33/79/855483379.db2.gz FQPDGGUABVRMPL-FQEVSTJZSA-N 0 3 420.479 4.289 50 0 HIAAHN Cn1cccc1CN1CC[C@H](Oc2ccc(-c3noc(-c4ccccc4)n3)cc2)C1 ZINC000575313743 948642581 /nfs/dbraw/zinc/64/25/81/948642581.db2.gz NZAVJNCZURCHEK-QFIPXVFZSA-N 0 3 400.482 4.395 50 0 HIAAHN O=C(CN1CCCCCC1)N1CCC(Cc2ccc(COc3ccncc3)cc2)CC1 ZINC000575551783 948676544 /nfs/dbraw/zinc/67/65/44/948676544.db2.gz HDBDFMJPSVFEHP-UHFFFAOYSA-N 0 3 421.585 4.318 50 0 HIAAHN CCOc1cc(CNC[C@@H](C)O)cc(Br)c1OCc1cccc(C)c1 ZINC000040744047 520717756 /nfs/dbraw/zinc/71/77/56/520717756.db2.gz HCKDRNUZWRLBIP-OAHLLOKOSA-N 0 3 408.336 4.206 50 0 HIAAHN CCN1CCN(Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)CC1 ZINC000072476577 521688990 /nfs/dbraw/zinc/68/89/90/521688990.db2.gz SABRIKYJZDUXDK-UHFFFAOYSA-N 0 3 408.521 4.133 50 0 HIAAHN Fc1cccc(Cl)c1COc1ccc(Cl)cc1CNCCN1CCOCC1 ZINC000040720895 526390857 /nfs/dbraw/zinc/39/08/57/526390857.db2.gz OBQOHUFLYDJOFS-UHFFFAOYSA-N 0 3 413.320 4.133 50 0 HIAAHN O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCN(CCc2ccccc2)CC1 ZINC000004324612 557541528 /nfs/dbraw/zinc/54/15/28/557541528.db2.gz YBERAEMRXSFROV-UHFFFAOYSA-N 0 3 407.436 4.368 50 0 HIAAHN COc1cccc(CN2CCN([C@@H](C)CCc3c[nH]c4ccccc34)CCC2=O)c1 ZINC000011783797 558275443 /nfs/dbraw/zinc/27/54/43/558275443.db2.gz SJAYSYNPFYWTAJ-IBGZPJMESA-N 0 3 405.542 4.232 50 0 HIAAHN O=C(NCc1cccs1)[C@@H]1CC12CCN(Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000011788086 558276657 /nfs/dbraw/zinc/27/66/57/558276657.db2.gz FUYAUAADASYHGD-FQEVSTJZSA-N 0 3 406.555 4.057 50 0 HIAAHN Cn1cc(CN2CCC3(CC[C@H](CNC(=O)c4ccccc4)O3)CC2)c2ccccc21 ZINC000011790592 558277540 /nfs/dbraw/zinc/27/75/40/558277540.db2.gz QHEJTNVDUSPHDM-JOCHJYFZSA-N 0 3 417.553 4.122 50 0 HIAAHN COc1ccc(CCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000019811887 558286971 /nfs/dbraw/zinc/28/69/71/558286971.db2.gz SVGHECGBMSXHRN-UHFFFAOYSA-N 0 3 400.522 4.226 50 0 HIAAHN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC([C@H](C)N2CCOCC2)CC1 ZINC000011873357 558291199 /nfs/dbraw/zinc/29/11/99/558291199.db2.gz WKYMHFKKLVLEIC-INIZCTEOSA-N 0 3 403.954 4.236 50 0 HIAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1cccc(-n2cccn2)c1 ZINC000011873305 558291287 /nfs/dbraw/zinc/29/12/87/558291287.db2.gz VXFGKUKTSYPLNB-UHFFFAOYSA-N 0 3 420.532 4.038 50 0 HIAAHN Fc1ccc(COc2ccc3ccccc3c2CNCCCN2CCOCC2)cc1 ZINC000019871698 558299762 /nfs/dbraw/zinc/29/97/62/558299762.db2.gz APDYLMVUISTGEZ-UHFFFAOYSA-N 0 3 408.517 4.370 50 0 HIAAHN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](NC5CCCC5)C4=O)cc3)sc2c1 ZINC000019890046 558302747 /nfs/dbraw/zinc/30/27/47/558302747.db2.gz DOWUFSWXDXXYON-IBGZPJMESA-N 0 3 405.523 4.436 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000012017410 558309191 /nfs/dbraw/zinc/30/91/91/558309191.db2.gz RHXGJHVZAGXKTP-CEXWTWQISA-N 0 3 410.882 4.453 50 0 HIAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)Cc1ccc(OC)cc1 ZINC000012049538 558313517 /nfs/dbraw/zinc/31/35/17/558313517.db2.gz XIXOQFJULKQCDT-JOCHJYFZSA-N 0 3 412.549 4.180 50 0 HIAAHN O=C(NCCCOc1ccc(CN2CC=C(c3ccccc3)CC2)cc1)[C@@H]1CCCO1 ZINC000012149829 558338554 /nfs/dbraw/zinc/33/85/54/558338554.db2.gz HFDJGLBSFMFEEA-VWLOTQADSA-N 0 3 420.553 4.040 50 0 HIAAHN Cc1ccc2cc(CN[C@H]3CCS(=O)(=O)C3)c(-c3cccc(Cl)c3)nc2c1 ZINC000012191163 558347592 /nfs/dbraw/zinc/34/75/92/558347592.db2.gz RVLDHCKATAQWPL-IBGZPJMESA-N 0 3 400.931 4.140 50 0 HIAAHN COc1ccccc1CCNC(=O)[C@H]1CC12CCN(Cc1cc(C)cc(C)c1)CC2 ZINC000012211357 558354139 /nfs/dbraw/zinc/35/41/39/558354139.db2.gz AAEVGUYFIUKOIH-HSZRJFAPSA-N 0 3 406.570 4.273 50 0 HIAAHN COc1ccc(CNC(=O)COc2ccc(-c3ccccc3)cc2CN(C)C)cc1 ZINC000012281867 558365375 /nfs/dbraw/zinc/36/53/75/558365375.db2.gz WJFHSOIPIPBHLD-UHFFFAOYSA-N 0 3 404.510 4.119 50 0 HIAAHN O=C(Nc1ccnn1C1CCN(C/C=C/c2ccc(F)cc2)CC1)c1cccnc1 ZINC000012471464 558422080 /nfs/dbraw/zinc/42/20/80/558422080.db2.gz RHANNHBNTUQPGR-NSCUHMNNSA-N 0 3 405.477 4.020 50 0 HIAAHN C[C@H](COc1ccccc1)N1CCC(Oc2cccc(C(=O)N3CCCC3)c2)CC1 ZINC000012472848 558422381 /nfs/dbraw/zinc/42/23/81/558422381.db2.gz NAELFVMSQQKCIW-HXUWFJFHSA-N 0 3 408.542 4.233 50 0 HIAAHN CCOC(=O)C1(CCOc2ccccc2)CCN([C@@H](C)Cn2nc(C)cc2C)CC1 ZINC000012572915 558429741 /nfs/dbraw/zinc/42/97/41/558429741.db2.gz OSXCKNYUGLWMJL-NRFANRHFSA-N 0 3 413.562 4.003 50 0 HIAAHN O=C(Nc1cccc(-c2cscn2)c1)C1CCN(Cc2ccc3nonc3c2)CC1 ZINC000012587019 558434404 /nfs/dbraw/zinc/43/44/04/558434404.db2.gz FRPUIPAYGFUHCP-UHFFFAOYSA-N 0 3 419.510 4.197 50 0 HIAAHN CN(Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@H]1CCCCO1 ZINC000012589320 558435017 /nfs/dbraw/zinc/43/50/17/558435017.db2.gz RKYODAQITQCKCD-OAQYLSRUSA-N 0 3 405.498 4.269 50 0 HIAAHN COc1ccc(C(=O)NC2(c3ccccc3)CC2)cc1OC1CCN(C(C)C)CC1 ZINC000012589143 558435135 /nfs/dbraw/zinc/43/51/35/558435135.db2.gz UIPOSLCDOVPWNO-UHFFFAOYSA-N 0 3 408.542 4.366 50 0 HIAAHN Clc1ccc(COc2ccc(Cl)cc2CNCCCN2CCOCC2)cc1 ZINC000022074112 558462140 /nfs/dbraw/zinc/46/21/40/558462140.db2.gz DMXJAGGYBYMCLJ-UHFFFAOYSA-N 0 3 409.357 4.384 50 0 HIAAHN Cc1ccc(NC(=O)CC2C(=O)N(Cc3ccccc3)c3nc4ccccc4n32)cc1 ZINC000023382067 558555447 /nfs/dbraw/zinc/55/54/47/558555447.db2.gz BTSDVNFLTMPHOG-QFIPXVFZSA-N 0 3 410.477 4.461 50 0 HIAAHN Cc1ccc(CN2C(=O)C(CC(=O)Nc3ccccc3)n3c4ccccc4nc32)cc1 ZINC000023382081 558555478 /nfs/dbraw/zinc/55/54/78/558555478.db2.gz AKEWHHJXVJTEBF-QFIPXVFZSA-N 0 3 410.477 4.461 50 0 HIAAHN CCOc1cccc(CNCCCN2CCOCC2)c1OCc1ccccc1Cl ZINC000013736679 558588833 /nfs/dbraw/zinc/58/88/33/558588833.db2.gz NQVZHIHQCVOIEN-UHFFFAOYSA-N 0 3 418.965 4.130 50 0 HIAAHN O=C(NC1CCCC1)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccccc2)C1 ZINC000014537293 558658791 /nfs/dbraw/zinc/65/87/91/558658791.db2.gz CMNWEUGLOXRTCR-LEWJYISDSA-N 0 3 410.533 4.402 50 0 HIAAHN C[C@H](COc1ccccc1)N1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000014948067 558679941 /nfs/dbraw/zinc/67/99/41/558679941.db2.gz AWKWTSKRVARGSD-HXUWFJFHSA-N 0 3 408.542 4.233 50 0 HIAAHN Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(Cc2cccc(OCCO)c2)C1 ZINC000014948372 558680356 /nfs/dbraw/zinc/68/03/56/558680356.db2.gz OURBPVDLSMVQQP-IBGZPJMESA-N 0 3 414.521 4.136 50 0 HIAAHN O=C(CCC1CCN(Cc2ccc3nsnc3c2)CC1)NCc1ccc(F)cc1 ZINC000014959139 558683282 /nfs/dbraw/zinc/68/32/82/558683282.db2.gz XSRIUYDFDQIBLJ-UHFFFAOYSA-N 0 3 412.534 4.139 50 0 HIAAHN COc1cccc(CN2CCN([C@@H](C)Cc3cccc(C(F)(F)F)c3)CCC2=O)c1 ZINC000014961783 558684282 /nfs/dbraw/zinc/68/42/82/558684282.db2.gz KFLPMHHUZYJGKF-KRWDZBQOSA-N 0 3 420.475 4.380 50 0 HIAAHN Cc1ncoc1C(=O)N(C)C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 ZINC000014963111 558684801 /nfs/dbraw/zinc/68/48/01/558684801.db2.gz VJLUANJOYHOHCP-QGZVFWFLSA-N 0 3 409.452 4.029 50 0 HIAAHN CN(Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@H]1CCCCO1 ZINC000014972531 558688177 /nfs/dbraw/zinc/68/81/77/558688177.db2.gz ILXLHNJEVVYJAK-JOCHJYFZSA-N 0 3 419.525 4.328 50 0 HIAAHN O=C1CCN(Cc2cccc3ccccc32)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000015003679 558698528 /nfs/dbraw/zinc/69/85/28/558698528.db2.gz GTVXKOWTGMMHJQ-UHFFFAOYSA-N 0 3 422.912 4.456 50 0 HIAAHN CCS[C@@H]1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000072303491 558755983 /nfs/dbraw/zinc/75/59/83/558755983.db2.gz GLIYGQSVFUSNAY-SCTDSRPQSA-N 0 3 400.510 4.231 50 0 HIAAHN COc1cc(CNC[C@@H]2CCCO2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016195517 558778066 /nfs/dbraw/zinc/77/80/66/558778066.db2.gz WCANVNYOHRNYQH-KRWDZBQOSA-N 0 3 424.310 4.444 50 0 HIAAHN COc1cc(CNC[C@H]2CCCO2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016195519 558778101 /nfs/dbraw/zinc/77/81/01/558778101.db2.gz WCANVNYOHRNYQH-QGZVFWFLSA-N 0 3 424.310 4.444 50 0 HIAAHN c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1CN1CCC(CN2CCOCC2)CC1 ZINC000019223746 558852385 /nfs/dbraw/zinc/85/23/85/558852385.db2.gz NTDMIKRMDXESID-UHFFFAOYSA-N 0 3 416.569 4.288 50 0 HIAAHN CCOc1ccc(-c2n[nH]cc2C(=O)N2CCN(C3CCCCC3)CC2)cc1Cl ZINC000072328712 558864296 /nfs/dbraw/zinc/86/42/96/558864296.db2.gz OXVQLOQZYPFQAW-UHFFFAOYSA-N 0 3 416.953 4.219 50 0 HIAAHN O=C(NCCN1CCCCCC1)c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1 ZINC000033129623 558885495 /nfs/dbraw/zinc/88/54/95/558885495.db2.gz FEUVZWXEAUGWLK-UHFFFAOYSA-N 0 3 408.477 4.149 50 0 HIAAHN C[C@H](NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1cccc2ccccc21 ZINC000058169309 558907831 /nfs/dbraw/zinc/90/78/31/558907831.db2.gz LKSDQROBRMTZIX-AWEZNQCLSA-N 0 3 407.539 4.168 50 0 HIAAHN Cc1cccc(-c2cc(Nc3cccc(C(=O)NCCN4CCCCC4)c3)ncn2)c1 ZINC000033260923 558926466 /nfs/dbraw/zinc/92/64/66/558926466.db2.gz QBEXEZAJSUUHDX-UHFFFAOYSA-N 0 3 415.541 4.411 50 0 HIAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCN(C)[C@H](C)C2)cc1F ZINC000072424787 558978910 /nfs/dbraw/zinc/97/89/10/558978910.db2.gz RBEQYYQQGJVPBQ-GOSISDBHSA-N 0 3 408.521 4.131 50 0 HIAAHN CCOc1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)cc1OCC ZINC000023128065 559016307 /nfs/dbraw/zinc/01/63/07/559016307.db2.gz HMFIRBJZTZXMJH-UHFFFAOYSA-N 0 3 402.560 4.188 50 0 HIAAHN O=C(c1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCN(C2CCCCC2)CC1 ZINC000033278883 559042257 /nfs/dbraw/zinc/04/22/57/559042257.db2.gz CIYBTWXMPWIHHZ-UHFFFAOYSA-N 0 3 416.525 4.494 50 0 HIAAHN CS(=O)(=O)N[C@H](c1ccccc1)[C@H](NCCCc1ccccc1)c1ccccc1 ZINC000098074326 559126829 /nfs/dbraw/zinc/12/68/29/559126829.db2.gz FYFQWMUFYKBVCE-DNQXCXABSA-N 0 3 408.567 4.241 50 0 HIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000100706145 559138137 /nfs/dbraw/zinc/13/81/37/559138137.db2.gz ZPZGLGQNLNPWBX-PCCBWWKXSA-N 0 3 420.490 4.198 50 0 HIAAHN CCOc1cc(CNCCOc2ccccn2)cc(Br)c1OC(C)C ZINC000113395671 559179847 /nfs/dbraw/zinc/17/98/47/559179847.db2.gz OODIIAUEFWGDPZ-UHFFFAOYSA-N 0 3 409.324 4.199 50 0 HIAAHN CCCOc1c(CNCCc2nc3ccccc3[nH]2)cc(Br)cc1OC ZINC000113399175 559180548 /nfs/dbraw/zinc/18/05/48/559180548.db2.gz HJHQJOTYAYBXEU-UHFFFAOYSA-N 0 3 418.335 4.455 50 0 HIAAHN O=C(c1cc(-c2cccs2)n[n-]1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257199195 559189902 /nfs/dbraw/zinc/18/99/02/559189902.db2.gz WDHMIBFAAGQCCY-VTAPXXACSA-N 0 3 408.571 4.173 50 0 HIAAHN O=C(c1cc(-c2cccs2)n[n-]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257199195 559189903 /nfs/dbraw/zinc/18/99/03/559189903.db2.gz WDHMIBFAAGQCCY-VTAPXXACSA-N 0 3 408.571 4.173 50 0 HIAAHN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(C(C)C)CC2)c(OC)c1 ZINC000004888790 559197762 /nfs/dbraw/zinc/19/77/62/559197762.db2.gz QPAYQFBORIQOID-QFIPXVFZSA-N 0 3 421.541 4.448 50 0 HIAAHN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(C(C)C)CC2)cc1OC ZINC000004936134 559210733 /nfs/dbraw/zinc/21/07/33/559210733.db2.gz PMVQUGKEPMRLPK-NRFANRHFSA-N 0 3 421.541 4.448 50 0 HIAAHN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCN(C(C)C)CC2)cc1 ZINC000005092280 559244054 /nfs/dbraw/zinc/24/40/54/559244054.db2.gz BQKLTGSNVSKETD-JOCHJYFZSA-N 0 3 421.541 4.448 50 0 HIAAHN COc1cccc(-c2nc3nc(-c4ccccc4)oc3c(N3CCCN(C)CC3)n2)c1 ZINC000061997357 560564967 /nfs/dbraw/zinc/56/49/67/560564967.db2.gz CIZAOGIXICOIBR-UHFFFAOYSA-N 0 3 415.497 4.102 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1C ZINC000102663072 560819300 /nfs/dbraw/zinc/81/93/00/560819300.db2.gz AOEICVJWOJBSDO-XPWALMASSA-N 0 3 416.452 4.494 50 0 HIAAHN CCC[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000102701753 560820381 /nfs/dbraw/zinc/82/03/81/560820381.db2.gz BGOFGNTZSGJLKH-KZNAEPCWSA-N 0 3 405.281 4.472 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)c(F)c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102765984 560825117 /nfs/dbraw/zinc/82/51/17/560825117.db2.gz RLIPVQWPVHWTJF-PCCBWWKXSA-N 0 3 424.378 4.155 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4C)[C@@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000102912283 560835356 /nfs/dbraw/zinc/83/53/56/560835356.db2.gz CFPAIWKZMJGJHM-QHAWAJNXSA-N 0 3 404.491 4.416 50 0 HIAAHN Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)cc1Cl ZINC000103561104 560843228 /nfs/dbraw/zinc/84/32/28/560843228.db2.gz ARLOYYNQWRYBCI-NJDAHSKKSA-N 0 3 419.868 4.095 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@H]3C2=O)cc1Cl ZINC000103561104 560843230 /nfs/dbraw/zinc/84/32/30/560843230.db2.gz ARLOYYNQWRYBCI-NJDAHSKKSA-N 0 3 419.868 4.095 50 0 HIAAHN COc1cccc(OC)c1C(=O)C1CC(=O)Nc2c1c(C)nn2-c1cccc(C)c1C ZINC000046057302 568426244 /nfs/dbraw/zinc/42/62/44/568426244.db2.gz PYVYTXOHILUAAA-INIZCTEOSA-N 0 3 419.481 4.123 50 0 HIAAHN Cc1cc(C)n(-c2ccc(CN3CCC(NC(=O)Nc4ccc(F)cc4)CC3)cc2)n1 ZINC000048277608 568435698 /nfs/dbraw/zinc/43/56/98/568435698.db2.gz VRVLZYDAOMRRDN-UHFFFAOYSA-N 0 3 421.520 4.414 50 0 HIAAHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000048341248 568440363 /nfs/dbraw/zinc/44/03/63/568440363.db2.gz MNNOYICWPVJMDY-MGPQQGTHSA-N 0 3 424.916 4.385 50 0 HIAAHN C[C@@H](c1ccccc1)N1CCC(NC(=O)COc2ccc(Br)cc2)CC1 ZINC000095397782 568604605 /nfs/dbraw/zinc/60/46/05/568604605.db2.gz STUZMMPVEPMLFH-INIZCTEOSA-N 0 3 417.347 4.170 50 0 HIAAHN Cn1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2c1-c1ccccc1SC2 ZINC000020485150 568612934 /nfs/dbraw/zinc/61/29/34/568612934.db2.gz BNAWLWVUWUFKPI-UHFFFAOYSA-N 0 3 418.566 4.087 50 0 HIAAHN CN1CCN(CCc2cccc(NC(=O)[C@@H]3C[C@H]3c3ccc4ccccc4c3)c2)CC1 ZINC000095457785 568618667 /nfs/dbraw/zinc/61/86/67/568618667.db2.gz XWTDBUHFUKATNV-IZZNHLLZSA-N 0 3 413.565 4.372 50 0 HIAAHN O=C1[C@@H](NC2CCN(Cc3cccc(F)c3)CC2)CCCN1c1ccccc1Cl ZINC000095968506 568670695 /nfs/dbraw/zinc/67/06/95/568670695.db2.gz IBKDXQCPXPALGQ-NRFANRHFSA-N 0 3 415.940 4.229 50 0 HIAAHN CCN(CC)CCn1c2ccccc2n(C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1=N ZINC000000858791 568713488 /nfs/dbraw/zinc/71/34/88/568713488.db2.gz YTILIDHNOSRDBJ-HXUWFJFHSA-N 0 3 421.372 4.304 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000229929917 568716061 /nfs/dbraw/zinc/71/60/61/568716061.db2.gz PQRXXEZTUSVBNK-PWRODBHTSA-N 0 3 404.853 4.391 50 0 HIAAHN COc1ccc(F)c(CN2CCC[C@@]3(CCN(Cc4nc5ccccc5[nH]4)C3)C2)c1 ZINC000012445144 568726068 /nfs/dbraw/zinc/72/60/68/568726068.db2.gz HBSDGYCMKJUUGD-XMMPIXPASA-N 0 3 408.521 4.199 50 0 HIAAHN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1cn2cc(Cl)cc(Cl)c2n1 ZINC000241231090 568730851 /nfs/dbraw/zinc/73/08/51/568730851.db2.gz KRVZTXPWPJALAL-LRDDRELGSA-N 0 3 413.349 4.376 50 0 HIAAHN Cc1ccc(CN2C[C@@H]3C[C@@H](c4cc(C)ccc4-n4cccn4)N4CCC[C@@]34C2=O)o1 ZINC000015072802 568749169 /nfs/dbraw/zinc/74/91/69/568749169.db2.gz KNCCXEGHVLBMFK-QXWFJRNPSA-N 0 3 416.525 4.020 50 0 HIAAHN CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)C2(CCN(Cc3ccccc3)CC2)OC1=O ZINC000021868291 568755874 /nfs/dbraw/zinc/75/58/74/568755874.db2.gz VYSKRSPFIIDBKP-UHFFFAOYSA-N 0 3 424.928 4.495 50 0 HIAAHN O=C(NCCCN1CCc2ccccc2C1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021934625 568761851 /nfs/dbraw/zinc/76/18/51/568761851.db2.gz FGDUPIUSZKVEEE-UHFFFAOYSA-N 0 3 422.532 4.475 50 0 HIAAHN COc1ccc([C@@H](CNC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)N(C)C)cc1 ZINC000022621345 568772124 /nfs/dbraw/zinc/77/21/24/568772124.db2.gz DIIJJIDKXVRHAV-JOCHJYFZSA-N 0 3 421.541 4.319 50 0 HIAAHN COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2C)cc1 ZINC000230038747 568803354 /nfs/dbraw/zinc/80/33/54/568803354.db2.gz FSJBFYBIIHAIFO-YTFSRNRJSA-N 0 3 414.461 4.055 50 0 HIAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4C)[C@@H]3C2=O)cc1 ZINC000230038747 568803357 /nfs/dbraw/zinc/80/33/57/568803357.db2.gz FSJBFYBIIHAIFO-YTFSRNRJSA-N 0 3 414.461 4.055 50 0 HIAAHN Cc1oc(NC(=O)CN[C@@H](c2ccc(C(C)C)cc2)C(C)C)c2c1c(C)n[nH]c2=O ZINC000057688712 568858441 /nfs/dbraw/zinc/85/84/41/568858441.db2.gz PXOUPSLIHBTPOL-OAQYLSRUSA-N 0 3 410.518 4.182 50 0 HIAAHN CCOC(=O)c1c2cc(OC[C@H](O)CN3CCCC3)ccc2oc1-c1ccccc1 ZINC000003293343 568874086 /nfs/dbraw/zinc/87/40/86/568874086.db2.gz HBKLGWGZJNHKCX-GOSISDBHSA-N 0 3 409.482 4.112 50 0 HIAAHN O=C(c1ccc(N2CCCC2=O)cc1)N1CCC[C@@H]2CN(Cc3cccs3)CC[C@H]21 ZINC000299776113 568874805 /nfs/dbraw/zinc/87/48/05/568874805.db2.gz KFGLWXVEUQDLFM-DENIHFKCSA-N 0 3 423.582 4.002 50 0 HIAAHN COc1ccc(C)cc1NC(=O)c1cc2cc3c4c(c2oc1=N)CCCN4CCC3 ZINC000004193153 568950649 /nfs/dbraw/zinc/95/06/49/568950649.db2.gz YIDDKICFEPVAKN-UHFFFAOYSA-N 0 3 403.482 4.180 50 0 HIAAHN CC(C)CN(CCN(C)C)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000084544218 568950948 /nfs/dbraw/zinc/95/09/48/568950948.db2.gz VHNZVEAEOVPZPC-UHFFFAOYSA-N 0 3 410.587 4.286 50 0 HIAAHN CC(C)c1ccc([C@@H](NCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(C)C)cc1 ZINC000084625065 568953631 /nfs/dbraw/zinc/95/36/31/568953631.db2.gz QWEWYNXLTAPPOO-QFIPXVFZSA-N 0 3 420.550 4.278 50 0 HIAAHN CCCc1ccc([C@H](NCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(C)C)cc1 ZINC000084758989 568958289 /nfs/dbraw/zinc/95/82/89/568958289.db2.gz PXJVYENODMEHAZ-JOCHJYFZSA-N 0 3 420.550 4.107 50 0 HIAAHN Cc1ccc(N2CCN(C[C@@H](O)Cn3c4ccccc4c4c3CCCC4)CC2)cc1 ZINC000019823950 569007953 /nfs/dbraw/zinc/00/79/53/569007953.db2.gz FRJDIJHVPUNNDD-JOCHJYFZSA-N 0 3 403.570 4.012 50 0 HIAAHN CCN(CCC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000012859929 569011541 /nfs/dbraw/zinc/01/15/41/569011541.db2.gz IQBOCSPNFSEFAP-CQSZACIVSA-N 0 3 409.313 4.484 50 0 HIAAHN CC(C)[C@@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccccc1 ZINC000012877644 569013958 /nfs/dbraw/zinc/01/39/58/569013958.db2.gz MQJFIJWKYSWBOQ-WIYYLYMNSA-N 0 3 419.447 4.280 50 0 HIAAHN CCOc1c(Br)cc(CN[C@H](C)[C@@H]2CCCO2)cc1Br ZINC000035273766 569016752 /nfs/dbraw/zinc/01/67/52/569016752.db2.gz OUWLEZKNMITPMX-YGRLFVJLSA-N 0 3 407.146 4.267 50 0 HIAAHN C[C@@H](N[C@H](C)c1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012918862 569022779 /nfs/dbraw/zinc/02/27/79/569022779.db2.gz FHHRRKLWAQTGMQ-QZTJIDSGSA-N 0 3 402.494 4.438 50 0 HIAAHN COc1ccc(NC(=O)[C@@H]2C[C@@H](CC(C)C)N[C@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000015972279 569025241 /nfs/dbraw/zinc/02/52/41/569025241.db2.gz CLFJDEZIXUJXCH-DHTSOJEISA-N 0 3 421.541 4.122 50 0 HIAAHN Cc1cccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(CN4CCCCC4)cc3)C2)c1 ZINC000035447461 569037366 /nfs/dbraw/zinc/03/73/66/569037366.db2.gz PZDZDVCXDKALOA-QHCPKHFHSA-N 0 3 419.569 4.472 50 0 HIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@H]3C2=O)c1 ZINC000245311637 569055685 /nfs/dbraw/zinc/05/56/85/569055685.db2.gz PJHSNMLQMDNNBY-DNVJHFABSA-N 0 3 414.461 4.055 50 0 HIAAHN COc1ccc2c(c1)c(CN1CCC(C(=O)NCc3ccccc3C)CC1)cn2C ZINC000064669689 569078836 /nfs/dbraw/zinc/07/88/36/569078836.db2.gz RZLPSZYQYCHENK-UHFFFAOYSA-N 0 3 405.542 4.024 50 0 HIAAHN COc1ccc(CN(CCC(C)C)C[C@H](O)COCc2ccccc2)cc1OC ZINC000036096107 569089689 /nfs/dbraw/zinc/08/96/89/569089689.db2.gz TWRUNRIDYLVZSQ-QFIPXVFZSA-N 0 3 401.547 4.130 50 0 HIAAHN COc1ccc(OC[C@@H](O)CN(Cc2ccccc2)Cc2cccc(OC)c2)cc1 ZINC000036098278 569090742 /nfs/dbraw/zinc/09/07/42/569090742.db2.gz MXLCNCKRBULVJW-QFIPXVFZSA-N 0 3 407.510 4.146 50 0 HIAAHN CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(N(C)C)cc2)=NO1 ZINC000006708632 569095524 /nfs/dbraw/zinc/09/55/24/569095524.db2.gz HCASHCBXZXDSKV-QFIPXVFZSA-N 0 3 411.521 4.460 50 0 HIAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](C)O ZINC000036305908 569129602 /nfs/dbraw/zinc/12/96/02/569129602.db2.gz OXGGICMHJMKDEE-SFHVURJKSA-N 0 3 409.530 4.481 50 0 HIAAHN CN(C)CCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1cccs1 ZINC000036312422 569132796 /nfs/dbraw/zinc/13/27/96/569132796.db2.gz LJHUIOIKSXLJSO-UHFFFAOYSA-N 0 3 424.570 4.207 50 0 HIAAHN CC(C)C(=O)N(CCN(C)C)Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C ZINC000036312837 569133111 /nfs/dbraw/zinc/13/31/11/569133111.db2.gz UPXSXHDTKXGABJ-IBGZPJMESA-N 0 3 412.578 4.267 50 0 HIAAHN CCOc1ccccc1CN[C@H]1CCN(c2ccc(C(=O)Nc3ccccc3)cn2)C1 ZINC000065257038 569208635 /nfs/dbraw/zinc/20/86/35/569208635.db2.gz LQJIOTVXUUOAFW-QFIPXVFZSA-N 0 3 416.525 4.101 50 0 HIAAHN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000170591392 569240605 /nfs/dbraw/zinc/24/06/05/569240605.db2.gz QEVSHIVXWQYQLO-AEFFLSMTSA-N 0 3 411.587 4.011 50 0 HIAAHN C[C@@H](NC(=O)Cc1cccc(OCCN(C)C)c1)c1ccc(-c2cccnc2)cc1 ZINC000170600280 569242961 /nfs/dbraw/zinc/24/29/61/569242961.db2.gz CHNSLNYLBPTMAW-LJQANCHMSA-N 0 3 403.526 4.109 50 0 HIAAHN COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000170617360 569248068 /nfs/dbraw/zinc/24/80/68/569248068.db2.gz MRPFMBBSAIMKSG-UHFFFAOYSA-N 0 3 417.531 4.042 50 0 HIAAHN Cc1cccc(-c2nc(CC(=O)N[C@@H]3CN(Cc4ccccc4)C[C@H]3C)cs2)c1 ZINC000252512440 569291965 /nfs/dbraw/zinc/29/19/65/569291965.db2.gz QPBUBGNWRFKWKO-XMSQKQJNSA-N 0 3 405.567 4.298 50 0 HIAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccnc3)[C@@H]2C1=O ZINC000002376243 569389512 /nfs/dbraw/zinc/38/95/12/569389512.db2.gz TXGUTMNUCUJRAZ-PCCBWWKXSA-N 0 3 419.868 4.095 50 0 HIAAHN CCC[C@@H]1CN(Cc2cccc(NC(C)=O)c2)CCN1Cc1cccc(NC(C)=O)c1 ZINC000079058940 569426198 /nfs/dbraw/zinc/42/61/98/569426198.db2.gz NTBZHLWTPXRUHV-RUZDIDTESA-N 0 3 422.573 4.090 50 0 HIAAHN COc1ccc(CN(C)[C@H]2CCCN(Cc3ccccc3F)C2)cc1Cn1cccn1 ZINC000019791241 569429843 /nfs/dbraw/zinc/42/98/43/569429843.db2.gz FHZOYSNBQPKFCS-QHCPKHFHSA-N 0 3 422.548 4.176 50 0 HIAAHN CN1CCCN(c2nc(CN3CCCCC3)nc3scc(-c4ccccc4)c32)CC1 ZINC000008485661 571055538 /nfs/dbraw/zinc/05/55/38/571055538.db2.gz XNGKNEOQLKZYRP-UHFFFAOYSA-N 0 3 421.614 4.486 50 0 HIAAHN Cc1ccc(CN2CCCN(C(=O)CCSCc3cn4ccccc4n3)CC2)cc1 ZINC000040087009 571157596 /nfs/dbraw/zinc/15/75/96/571157596.db2.gz GRJIBRXIYMFUSL-UHFFFAOYSA-N 0 3 422.598 4.001 50 0 HIAAHN Cc1cccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N2CCCC2)c1C ZINC000010334160 571300817 /nfs/dbraw/zinc/30/08/17/571300817.db2.gz BLCUJSWQKZXPPY-DEOSSOPVSA-N 0 3 415.537 4.348 50 0 HIAAHN COc1cc2c(Cc3ccc4c(c3)OCO4)ncc([C@H]3CCCN3C)c2cc1OC ZINC000013372467 845915373 /nfs/dbraw/zinc/91/53/73/845915373.db2.gz XISGRFQSYRKPNQ-HXUWFJFHSA-N 0 3 406.482 4.338 50 0 HIAAHN COc1cccc(OC)c1CN[C@H]1CCCN(c2nc(C)c3cc(F)ccc3n2)CC1 ZINC000014990223 845997026 /nfs/dbraw/zinc/99/70/26/845997026.db2.gz CLAZBMSMJCGYOE-SFHVURJKSA-N 0 3 424.520 4.243 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)/C=C\c3ccc(OC(F)F)cc3)cc2C)CC1 ZINC000098001095 852648976 /nfs/dbraw/zinc/64/89/76/852648976.db2.gz DPOFJUXJGIDOKD-WDZFZDKYSA-N 0 3 415.484 4.390 50 0 HIAAHN O=C(NC1CC1)c1ccccc1OC[C@H]1CCCN(CC2=Cc3ccccc3OC2)C1 ZINC000169774384 853662118 /nfs/dbraw/zinc/66/21/18/853662118.db2.gz FWPOFLKSEZANJD-IBGZPJMESA-N 0 3 418.537 4.146 50 0 HIAAHN CCCN1CCN(c2ncnc3sc(C(=O)Nc4cccc(C)c4)c(C)c32)CC1 ZINC000021926806 132474029 /nfs/dbraw/zinc/47/40/29/132474029.db2.gz UZKSQKZCTSEUHS-UHFFFAOYSA-N 0 3 409.559 4.092 50 0 HIAAHN CCOc1cc(CNCCCO)cc(Br)c1OCc1cccc(C)c1 ZINC000040743801 520712449 /nfs/dbraw/zinc/71/24/49/520712449.db2.gz CVOAKWNYTHQNRX-UHFFFAOYSA-N 0 3 408.336 4.207 50 0 HIAAHN CCOc1cc(CNCCCO)cc(Br)c1OCc1ccc(C)cc1 ZINC000040743668 520712619 /nfs/dbraw/zinc/71/26/19/520712619.db2.gz MRHQPCBUYJMTKJ-UHFFFAOYSA-N 0 3 408.336 4.207 50 0 HIAAHN CCOc1cc(CNCCOC)cc(Br)c1OCc1cccc(C)c1 ZINC000040740100 520714546 /nfs/dbraw/zinc/71/45/46/520714546.db2.gz SGMLAVOPUGLQCA-UHFFFAOYSA-N 0 3 408.336 4.471 50 0 HIAAHN Cc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000032814831 524752870 /nfs/dbraw/zinc/75/28/70/524752870.db2.gz XGDMKWCYIKCRML-INIZCTEOSA-N 0 3 401.938 4.044 50 0 HIAAHN Cc1ccc(NC(=O)COc2ccc(CNCc3ccc4c(c3)OCO4)cc2)cc1 ZINC000040733066 525067891 /nfs/dbraw/zinc/06/78/91/525067891.db2.gz UIQBNZXOYCTKSM-UHFFFAOYSA-N 0 3 404.466 4.031 50 0 HIAAHN CCN1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)cc2C)CC1 ZINC000012520726 535748870 /nfs/dbraw/zinc/74/88/70/535748870.db2.gz RUEAUTZSAPGZHY-INIZCTEOSA-N 0 3 418.944 4.369 50 0 HIAAHN CCc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)cc1 ZINC000012607334 536162681 /nfs/dbraw/zinc/16/26/81/536162681.db2.gz AKSIZIUGBXEERF-UHFFFAOYSA-N 0 3 407.558 4.301 50 0 HIAAHN COc1cccc(C(=O)[C@H]2CCCN(C3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000012449037 537088501 /nfs/dbraw/zinc/08/85/01/537088501.db2.gz OBKWHCDMAKAUTN-FQEVSTJZSA-N 0 3 408.542 4.268 50 0 HIAAHN O=C(Nc1ccc(N2CCCN(Cc3ccccc3)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034681926 557384015 /nfs/dbraw/zinc/38/40/15/557384015.db2.gz SXMGPUNVWMWJPT-UHFFFAOYSA-N 0 3 422.479 4.324 50 0 HIAAHN COCCN(C[C@H]1CN(Cc2ccc(C)o2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740522 557444199 /nfs/dbraw/zinc/44/41/99/557444199.db2.gz XMJZRTUJAVPONG-OFNKIYASSA-N 0 3 416.537 4.074 50 0 HIAAHN O=C(Nc1ccc(Cl)cc1)Nc1ccc(OC[C@H](O)CN2CCCCC2)cc1 ZINC000004299546 557537333 /nfs/dbraw/zinc/53/73/33/557537333.db2.gz QFXJMJMXMCEUKU-LJQANCHMSA-N 0 3 403.910 4.210 50 0 HIAAHN CCc1ccc2nc(N3CCC(C(=O)NCCN4CCCC[C@@H]4C)CC3)sc2c1 ZINC000004757407 557594844 /nfs/dbraw/zinc/59/48/44/557594844.db2.gz HRWVGFQJQXCGDO-KRWDZBQOSA-N 0 3 414.619 4.066 50 0 HIAAHN CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000002890328 557770332 /nfs/dbraw/zinc/77/03/32/557770332.db2.gz WABSAQLJPRHBPM-IBGZPJMESA-N 0 3 414.864 4.082 50 0 HIAAHN COc1cc(CNC[C@@H](C)O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000008535046 557794049 /nfs/dbraw/zinc/79/40/49/557794049.db2.gz XESRSMMHLQHIMM-GFCCVEGCSA-N 0 3 414.727 4.161 50 0 HIAAHN COc1ccc(CNC(=O)CC[C@H]2CCCN(C/C=C/c3ccco3)C2)c(OC)c1 ZINC000011754187 558272811 /nfs/dbraw/zinc/27/28/11/558272811.db2.gz KSUDMZGJPFSLNX-ZLHKHBAESA-N 0 3 412.530 4.119 50 0 HIAAHN Cn1cc(CN2CCC3(CC[C@@H](CNC(=O)c4ccccc4)O3)CC2)c2ccccc21 ZINC000011790591 558277507 /nfs/dbraw/zinc/27/75/07/558277507.db2.gz QHEJTNVDUSPHDM-QFIPXVFZSA-N 0 3 417.553 4.122 50 0 HIAAHN Cc1ccc(-n2ncc3c2CCC[C@@H]3NCc2ccc(N3CCNC3=O)cc2)cc1C ZINC000011950112 558302737 /nfs/dbraw/zinc/30/27/37/558302737.db2.gz CNLZRKPRZFMFGY-QHCPKHFHSA-N 0 3 415.541 4.186 50 0 HIAAHN CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(Cc2ccc(COC)o2)C1 ZINC000012029105 558310752 /nfs/dbraw/zinc/31/07/52/558310752.db2.gz MUHPIYCLCRTNJM-HSZRJFAPSA-N 0 3 401.503 4.040 50 0 HIAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccc(C)s1 ZINC000012090658 558323995 /nfs/dbraw/zinc/32/39/95/558323995.db2.gz UTWGJIZTKRZUBK-HXUWFJFHSA-N 0 3 400.588 4.482 50 0 HIAAHN CCN(Cc1nc2ccccc2n1C)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000020211463 558347426 /nfs/dbraw/zinc/34/74/26/558347426.db2.gz XENOWXUDZOEDRO-OAQYLSRUSA-N 0 3 408.565 4.489 50 0 HIAAHN Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CCC(C(N)=O)CC2)c(C)s1 ZINC000012194353 558348858 /nfs/dbraw/zinc/34/88/58/558348858.db2.gz XZDJJIUQYPKECG-UHFFFAOYSA-N 0 3 412.534 4.054 50 0 HIAAHN COC(=O)CC[C@H](C)N1CCC(Oc2ccc(Cl)cc2C(=O)NC(C)(C)C)CC1 ZINC000012200729 558351272 /nfs/dbraw/zinc/35/12/72/558351272.db2.gz STYYZSGGFZPSHJ-HNNXBMFYSA-N 0 3 424.969 4.053 50 0 HIAAHN COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(Cc3ccc(SC)cc3)C2)c1 ZINC000012300516 558370441 /nfs/dbraw/zinc/37/04/41/558370441.db2.gz FKSQJOMFWRWWNS-GOSISDBHSA-N 0 3 414.571 4.068 50 0 HIAAHN COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NCc2cccc(OCCO)c2)cc1 ZINC000012314418 558377700 /nfs/dbraw/zinc/37/77/00/558377700.db2.gz GDCHLBZCALNXJG-QHCPKHFHSA-N 0 3 421.541 4.055 50 0 HIAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)c1ccc2ncccc2c1 ZINC000012315806 558379127 /nfs/dbraw/zinc/37/91/27/558379127.db2.gz LKJWCFJIIYKHBR-UHFFFAOYSA-N 0 3 405.517 4.401 50 0 HIAAHN CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(Cc2c(C)nn(CC)c2C)C1 ZINC000012387104 558395812 /nfs/dbraw/zinc/39/58/12/558395812.db2.gz ZSVFQVZHQZOHGJ-XMMPIXPASA-N 0 3 413.562 4.134 50 0 HIAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)C1=C(c2ccccc2)SCCO1 ZINC000020715060 558400950 /nfs/dbraw/zinc/40/09/50/558400950.db2.gz DAGXRJXZTXHGKU-KRWDZBQOSA-N 0 3 400.569 4.133 50 0 HIAAHN O=C(NC[C@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2)C1)c1cccnc1 ZINC000012441806 558412415 /nfs/dbraw/zinc/41/24/15/558412415.db2.gz POGRSJPRGRDKRR-HSZRJFAPSA-N 0 3 415.537 4.303 50 0 HIAAHN CN(C[C@H]1CCCN(CCc2ccc(F)cc2)C1)C(=O)c1cc2ccccc2cn1 ZINC000012472567 558422325 /nfs/dbraw/zinc/42/23/25/558422325.db2.gz VPJKJGUDHNQASZ-HXUWFJFHSA-N 0 3 405.517 4.401 50 0 HIAAHN CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)CCc1ccc(F)c(F)c1 ZINC000012570578 558428639 /nfs/dbraw/zinc/42/86/39/558428639.db2.gz WFKAXZLBRWQXDU-LJQANCHMSA-N 0 3 418.503 4.450 50 0 HIAAHN CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(Cc2ccc(NC(C)=O)cc2)C1 ZINC000012595268 558437364 /nfs/dbraw/zinc/43/73/64/558437364.db2.gz UZDDLQFOEXOJAP-RUZDIDTESA-N 0 3 424.541 4.259 50 0 HIAAHN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)NCc1ccccc1CN1CCOCC1 ZINC000021702688 558446016 /nfs/dbraw/zinc/44/60/16/558446016.db2.gz HYWBGLHMOCPVLO-UXHICEINSA-N 0 3 409.574 4.149 50 0 HIAAHN O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(Cc2ccccc2)CC1 ZINC000012761144 558461121 /nfs/dbraw/zinc/46/11/21/558461121.db2.gz BNRDTGLIEWVDKS-UHFFFAOYSA-N 0 3 404.514 4.128 50 0 HIAAHN COc1ccc(CCN(C)[C@@H]2CCCN(Cc3csc(C(C)=O)c3)C2)cc1OC ZINC000022852977 558517095 /nfs/dbraw/zinc/51/70/95/558517095.db2.gz IEIMSHHMVFEYFA-HXUWFJFHSA-N 0 3 416.587 4.107 50 0 HIAAHN COc1ccc(CCN(C)[C@H]2CCCN(Cc3csc(C(C)=O)c3)C2)cc1OC ZINC000022852975 558517225 /nfs/dbraw/zinc/51/72/25/558517225.db2.gz IEIMSHHMVFEYFA-FQEVSTJZSA-N 0 3 416.587 4.107 50 0 HIAAHN c1ccc2c(c1)nc(-c1cccnc1)nc2NCC1(N2CCOCC2)CCCCC1 ZINC000023883471 558580424 /nfs/dbraw/zinc/58/04/24/558580424.db2.gz AKPBGEVRJHJHHG-UHFFFAOYSA-N 0 3 403.530 4.139 50 0 HIAAHN O=C1CCCN1CCCNCc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000013727984 558585459 /nfs/dbraw/zinc/58/54/59/558585459.db2.gz WHQUQTCRNBYHFB-UHFFFAOYSA-N 0 3 411.727 4.465 50 0 HIAAHN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc2c(c1)CCCC2 ZINC000014086791 558618913 /nfs/dbraw/zinc/61/89/13/558618913.db2.gz PCVIPCVOOOAEAP-OAHLLOKOSA-N 0 3 409.921 4.089 50 0 HIAAHN CCN(CCC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1COc2ccccc2O1 ZINC000026922173 558667138 /nfs/dbraw/zinc/66/71/38/558667138.db2.gz FAWGBSGUTQJLDH-HNNXBMFYSA-N 0 3 409.313 4.484 50 0 HIAAHN C[C@@H](c1cc2ccccc2o1)N(C)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000026925068 558667288 /nfs/dbraw/zinc/66/72/88/558667288.db2.gz QSEBPUJSBXPXEI-SFHVURJKSA-N 0 3 409.505 4.304 50 0 HIAAHN CN(CCn1cccn1)Cc1cc2ccc(Cl)cc2n(CCc2ccccc2)c1=O ZINC000014879962 558675654 /nfs/dbraw/zinc/67/56/54/558675654.db2.gz AWPYXJQKAJMOLM-UHFFFAOYSA-N 0 3 420.944 4.226 50 0 HIAAHN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1CN(C)C ZINC000028029073 558689862 /nfs/dbraw/zinc/68/98/62/558689862.db2.gz XSXOSWKNRCWJFX-UHFFFAOYSA-N 0 3 401.869 4.434 50 0 HIAAHN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(CCCc3ccccc3)CC2)c1 ZINC000014981113 558691536 /nfs/dbraw/zinc/69/15/36/558691536.db2.gz NRBALJUUPFKCNR-UHFFFAOYSA-N 0 3 422.569 4.407 50 0 HIAAHN O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000015063462 558706256 /nfs/dbraw/zinc/70/62/56/558706256.db2.gz ASKPMQJPZPRQJD-NRFANRHFSA-N 0 3 405.567 4.176 50 0 HIAAHN O=C(CC[C@@H]1CCCN(Cc2ccsc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000015064659 558707484 /nfs/dbraw/zinc/70/74/84/558707484.db2.gz NWGUWXVIWIMIOX-QFIPXVFZSA-N 0 3 411.615 4.085 50 0 HIAAHN CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(Cc2ccc(OC)c(O)c2)C1 ZINC000015065904 558708898 /nfs/dbraw/zinc/70/88/98/558708898.db2.gz URMIJFLANRKXHR-XMMPIXPASA-N 0 3 413.514 4.015 50 0 HIAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1sc2nc(C)cc(C)c2c1N ZINC000015107175 558723216 /nfs/dbraw/zinc/72/32/16/558723216.db2.gz PIVDIKKSTPKCDY-FUHWJXTLSA-N 0 3 406.555 4.252 50 0 HIAAHN O=C(Cc1csc(-c2ccc(F)cc2)n1)NC1CCN(Cc2ccccc2)CC1 ZINC000030057244 558727014 /nfs/dbraw/zinc/72/70/14/558727014.db2.gz LHLDPHNVOVLTOU-UHFFFAOYSA-N 0 3 409.530 4.273 50 0 HIAAHN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(CCCC)CC2)n1 ZINC000035924685 558795963 /nfs/dbraw/zinc/79/59/63/558795963.db2.gz DUEBSLLFNSYWLB-UHFFFAOYSA-N 0 3 406.578 4.389 50 0 HIAAHN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(CCCN(C)C)C3=O ZINC000016750943 558804682 /nfs/dbraw/zinc/80/46/82/558804682.db2.gz SXEXBWAUAJTLCO-FQEVSTJZSA-N 0 3 410.901 4.252 50 0 HIAAHN Cc1oc(-c2cccs2)nc1CN1CCN(CC2CCCCC2)[C@H](CCO)C1 ZINC000039466477 558821447 /nfs/dbraw/zinc/82/14/47/558821447.db2.gz HVNAHHKBCKYEDB-LJQANCHMSA-N 0 3 403.592 4.160 50 0 HIAAHN O=C(NCCN(Cc1ccco1)C1CCCC1)c1noc2c1COc1ccccc1-2 ZINC000033028853 558852527 /nfs/dbraw/zinc/85/25/27/558852527.db2.gz UHMZYEGEQRNUQO-UHFFFAOYSA-N 0 3 407.470 4.002 50 0 HIAAHN CN(Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)Cc1cccc2ncccc12 ZINC000055099970 558872359 /nfs/dbraw/zinc/87/23/59/558872359.db2.gz PZHXHZYDODJADN-UHFFFAOYSA-N 0 3 400.482 4.039 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)c3cc(C(C)C)n(C(C)(C)C)n3)cc2C)CC1 ZINC000057984672 558892199 /nfs/dbraw/zinc/89/21/99/558892199.db2.gz LYTNASORILTLNW-UHFFFAOYSA-N 0 3 411.594 4.464 50 0 HIAAHN CC(C)c1ccc(CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000004700291 558907778 /nfs/dbraw/zinc/90/77/78/558907778.db2.gz MOFMAJJBWQMPMW-UHFFFAOYSA-N 0 3 419.613 4.366 50 0 HIAAHN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1cccc2ccccc21 ZINC000058170332 558907890 /nfs/dbraw/zinc/90/78/90/558907890.db2.gz IATAOAMFOAPWLJ-OAHLLOKOSA-N 0 3 405.889 4.363 50 0 HIAAHN Cc1cccc2c(C(=O)N(C)C3CCN(C)CC3)cc(-c3cnn(C(C)C)c3)nc12 ZINC000063834237 558959259 /nfs/dbraw/zinc/95/92/59/558959259.db2.gz HGSRKDNEWRWLMM-UHFFFAOYSA-N 0 3 405.546 4.154 50 0 HIAAHN Cc1ccc(CN2CCC(C(=O)N(C)Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC000067602215 558988020 /nfs/dbraw/zinc/98/80/20/558988020.db2.gz MUYMDCDBUZLCTE-UHFFFAOYSA-N 0 3 418.541 4.224 50 0 HIAAHN COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CC[NH+](C)CC3)cc2)cc1C(C)C ZINC000067603576 558988121 /nfs/dbraw/zinc/98/81/21/558988121.db2.gz UYVPGPMZBFBVDO-UHFFFAOYSA-N 0 3 418.559 4.092 50 0 HIAAHN O=C1CCC2(CCN(Cc3ccc4occc4c3)CC2)CN1CCc1ccccn1 ZINC000095370031 559080218 /nfs/dbraw/zinc/08/02/18/559080218.db2.gz BKBAVJOQAXIUTD-UHFFFAOYSA-N 0 3 403.526 4.275 50 0 HIAAHN Cn1cc(CNCc2ccc(OC(F)(F)F)cc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000011661493 559127147 /nfs/dbraw/zinc/12/71/47/559127147.db2.gz OWSYJJCJMYBFDY-UHFFFAOYSA-N 0 3 419.403 4.047 50 0 HIAAHN CCOc1c(CNCCc2nc3ccccc3[nH]2)cc(Br)cc1OC ZINC000113398635 559180418 /nfs/dbraw/zinc/18/04/18/559180418.db2.gz VWCHQVVXEPEDPY-UHFFFAOYSA-N 0 3 404.308 4.065 50 0 HIAAHN COc1cc(CNCCc2nc3ccccc3[nH]2)cc(Br)c1OC(C)C ZINC000113401177 559180728 /nfs/dbraw/zinc/18/07/28/559180728.db2.gz QOMUHNZFPYOPPF-UHFFFAOYSA-N 0 3 418.335 4.454 50 0 HIAAHN Cc1cc2c(cc(C(=O)NCCN3CCCCC3)n2CCCOc2ccccc2)o1 ZINC000035838380 559187974 /nfs/dbraw/zinc/18/79/74/559187974.db2.gz VTXPDSRCYADMNI-UHFFFAOYSA-N 0 3 409.530 4.228 50 0 HIAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000004900288 559199330 /nfs/dbraw/zinc/19/93/30/559199330.db2.gz LMBOWJVWXGSASV-OAQYLSRUSA-N 0 3 419.525 4.202 50 0 HIAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(OC)cc3OC)=NN12 ZINC000004954893 559216505 /nfs/dbraw/zinc/21/65/05/559216505.db2.gz IPMGNYYKOOGGAS-JOCHJYFZSA-N 0 3 421.541 4.449 50 0 HIAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(F)cc5)CC4)[C@H]3C=C12 ZINC000061992871 560568809 /nfs/dbraw/zinc/56/88/09/560568809.db2.gz VHKAGAPLPOVTCQ-XFLMGFCPSA-N 0 3 412.549 4.262 50 0 HIAAHN CCN(CC)CCn1cnc2c(c1=N)[C@@H](c1ccc(C)cc1)c1ccc(O)cc1O2 ZINC000005345859 560570102 /nfs/dbraw/zinc/57/01/02/560570102.db2.gz CDTUJNOHEAJHKQ-NRFANRHFSA-N 0 3 404.514 4.004 50 0 HIAAHN COc1cc(CCNC(=O)c2ccc(CN3CCCCC3)cc2)ccc1OC(F)F ZINC000018205093 560784269 /nfs/dbraw/zinc/78/42/69/560784269.db2.gz YTUXJGJBCHHKSR-UHFFFAOYSA-N 0 3 418.484 4.255 50 0 HIAAHN Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)C2ON1c1ccccc1 ZINC000101166048 560787326 /nfs/dbraw/zinc/78/73/26/560787326.db2.gz ILPVRDSCXQFLTK-BDTNDASRSA-N 0 3 402.425 4.185 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1Cl ZINC000102702508 560820337 /nfs/dbraw/zinc/82/03/37/560820337.db2.gz GLUBGJJHSQFDME-QHAWAJNXSA-N 0 3 404.853 4.391 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000102702504 560820387 /nfs/dbraw/zinc/82/03/87/560820387.db2.gz GLUBGJJHSQFDME-PCCBWWKXSA-N 0 3 404.853 4.391 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)cc1C ZINC000102707109 560820601 /nfs/dbraw/zinc/82/06/01/560820601.db2.gz QVIBHYIQLLOPTC-DNVJHFABSA-N 0 3 414.461 4.060 50 0 HIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@H]3C2=O)c1 ZINC000102716031 560823267 /nfs/dbraw/zinc/82/32/67/560823267.db2.gz PJHSNMLQMDNNBY-XPWALMASSA-N 0 3 414.461 4.055 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4F)[C@@H]3C2=O)c(C)c1 ZINC000102765900 560825064 /nfs/dbraw/zinc/82/50/64/560825064.db2.gz BEHNWZBSIRATNN-RJGXRXQPSA-N 0 3 416.452 4.494 50 0 HIAAHN Cc1nn(-c2ccc(F)cc2F)c2c1C(C(=O)c1cccc(Cl)c1)CC(=O)N2 ZINC000046057155 568426119 /nfs/dbraw/zinc/42/61/19/568426119.db2.gz HLLMZNOIJAGLPZ-CQSZACIVSA-N 0 3 401.800 4.421 50 0 HIAAHN COc1cccc(OC)c1C(=O)C1CC(=O)Nc2c1c(C)nn2-c1cc(C)cc(C)c1 ZINC000046057770 568426370 /nfs/dbraw/zinc/42/63/70/568426370.db2.gz QXWZNQXVIZDPFW-KRWDZBQOSA-N 0 3 419.481 4.123 50 0 HIAAHN CCN(CC)[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1ccsc1 ZINC000048332231 568439987 /nfs/dbraw/zinc/43/99/87/568439987.db2.gz OPCZHKOLCNRFFK-FQEVSTJZSA-N 0 3 414.575 4.189 50 0 HIAAHN CN(C)Cc1ccc(CNC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000048344595 568440885 /nfs/dbraw/zinc/44/08/85/568440885.db2.gz QMBIXNGPJKKKLF-UHFFFAOYSA-N 0 3 408.527 4.384 50 0 HIAAHN CC(=O)Nc1ccc(NC(=O)NCc2ccc(CN(C)C)cc2)c(C(F)(F)F)c1 ZINC000048374939 568442324 /nfs/dbraw/zinc/44/23/24/568442324.db2.gz VVUORSGMSZQEPR-UHFFFAOYSA-N 0 3 408.424 4.047 50 0 HIAAHN CCN1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)N(CC)C(=O)c1ccccc1S2 ZINC000020900710 568649867 /nfs/dbraw/zinc/64/98/67/568649867.db2.gz FPDXLLYCZPGWAL-QGZVFWFLSA-N 0 3 424.570 4.424 50 0 HIAAHN CN1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cc(F)ccc2F)C1 ZINC000020927329 568651547 /nfs/dbraw/zinc/65/15/47/568651547.db2.gz OKPHPIJTOCYSCZ-UHFFFAOYSA-N 0 3 402.470 4.127 50 0 HIAAHN COC[C@H](c1cccc(C(F)(F)F)c1)N(C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000225770742 568673067 /nfs/dbraw/zinc/67/30/67/568673067.db2.gz IHRBAUWKEGMRHW-LAUBAEHRSA-N 0 3 420.475 4.487 50 0 HIAAHN Cc1ccccc1C(=O)Nc1ccc(N2CCCN(Cc3ccsc3)CC2)nc1 ZINC000096281049 568718574 /nfs/dbraw/zinc/71/85/74/568718574.db2.gz VOQDEOZRTCNWSO-UHFFFAOYSA-N 0 3 406.555 4.416 50 0 HIAAHN O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3cccs3)[C@@H]2C(=O)N1c1ccccc1 ZINC000238899720 568727022 /nfs/dbraw/zinc/72/70/22/568727022.db2.gz HBUUSADWLVKENE-IPMKNSEASA-N 0 3 410.882 4.453 50 0 HIAAHN Fc1cc(F)cc(-c2noc3ncnc(NCCCN4CCc5ccccc5C4)c32)c1 ZINC000021714764 568748830 /nfs/dbraw/zinc/74/88/30/568748830.db2.gz AZWGUVJZWPKKNH-UHFFFAOYSA-N 0 3 421.451 4.423 50 0 HIAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccco3)=NN12 ZINC000000934789 568751705 /nfs/dbraw/zinc/75/17/05/568751705.db2.gz YQZPUSXTOASAFJ-MRXNPFEDSA-N 0 3 402.292 4.008 50 0 HIAAHN CN(C)[C@@H](CNC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000002648733 568795714 /nfs/dbraw/zinc/79/57/14/568795714.db2.gz HQXPVMXSXNSMMW-DEOSSOPVSA-N 0 3 404.510 4.064 50 0 HIAAHN CC(C)[C@H](NCC(=O)Nc1ccccc1N1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000012594940 568868833 /nfs/dbraw/zinc/86/88/33/568868833.db2.gz HQSGBOQFUQLBNY-VWLOTQADSA-N 0 3 423.557 4.374 50 0 HIAAHN COCc1ccc(CN2CC[C@]3(C2)CCCN(Cc2cc(OC)ccc2F)C3)o1 ZINC000012717700 568917921 /nfs/dbraw/zinc/91/79/21/568917921.db2.gz QXCIKMVXTWVPKI-HSZRJFAPSA-N 0 3 402.510 4.062 50 0 HIAAHN Cc1ccc(S(C)(=O)=O)cc1NC(=O)CN[C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC000084185757 568943803 /nfs/dbraw/zinc/94/38/03/568943803.db2.gz BXLBMDFAYLQFDS-HSZRJFAPSA-N 0 3 416.587 4.447 50 0 HIAAHN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3ccc4nonc4c3)C2)c(C)c1 ZINC000012760196 568944100 /nfs/dbraw/zinc/94/41/00/568944100.db2.gz GDRQHPCBMUDHEG-KRWDZBQOSA-N 0 3 408.502 4.171 50 0 HIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(COc2ccc(F)cc2)o1 ZINC000012783737 568959252 /nfs/dbraw/zinc/95/92/52/568959252.db2.gz VZZQNAQGWXTMRD-UHFFFAOYSA-N 0 3 408.473 4.392 50 0 HIAAHN CCN1CCC2(CC1)N=C(c1ccc(F)cc1)C(=S)N2C(=O)c1ccc(C)cc1 ZINC000004315480 568961782 /nfs/dbraw/zinc/96/17/82/568961782.db2.gz BGOIPOYQWLDBBM-UHFFFAOYSA-N 0 3 409.530 4.219 50 0 HIAAHN CCOC(=O)c1ccc(NC(=O)CN[C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000012849697 569010359 /nfs/dbraw/zinc/01/03/59/569010359.db2.gz GDOFOINTBMDLGH-HSZRJFAPSA-N 0 3 402.494 4.375 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(OC(F)F)cc3)cc2C)CC1 ZINC000016299853 569031101 /nfs/dbraw/zinc/03/11/01/569031101.db2.gz DPOFJUXJGIDOKD-IZZDOVSWSA-N 0 3 415.484 4.390 50 0 HIAAHN CC[C@@H]1Cn2c(C(=O)NC3CCN(Cc4ccccc4)CC3)cc3cccc(c32)O1 ZINC000035373621 569034215 /nfs/dbraw/zinc/03/42/15/569034215.db2.gz OAIOAETXWUDWGN-OAQYLSRUSA-N 0 3 403.526 4.207 50 0 HIAAHN O=C(CCc1ncc(-c2ccc(F)cc2)o1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000013003217 569049335 /nfs/dbraw/zinc/04/93/35/569049335.db2.gz CMZJVVGEKGXBPC-OAQYLSRUSA-N 0 3 407.489 4.367 50 0 HIAAHN CCN(CC)[C@@H](CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000013012458 569050623 /nfs/dbraw/zinc/05/06/23/569050623.db2.gz SWIYCIBSZDCDBS-QHCPKHFHSA-N 0 3 422.573 4.130 50 0 HIAAHN CCOc1ccc(Cl)c(C(=O)OC[C@@H]2CCCN(C)[C@H]2c2ccc(OC)cc2)n1 ZINC000241644463 569054909 /nfs/dbraw/zinc/05/49/09/569054909.db2.gz PQYVLJAMOZKEMH-KKSFZXQISA-N 0 3 418.921 4.382 50 0 HIAAHN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccccc4)C(=O)[C@@]32C)cc1 ZINC000248183478 569057691 /nfs/dbraw/zinc/05/76/91/569057691.db2.gz GBDLERWZMUYQPR-WRALFONMSA-N 0 3 414.461 4.136 50 0 HIAAHN Cc1ccccc1CN(Cc1nc(C(=O)NCCN(C)C)co1)[C@H](C)c1ccccc1 ZINC000036073531 569086919 /nfs/dbraw/zinc/08/69/19/569086919.db2.gz IKHMXISKQGONBG-HXUWFJFHSA-N 0 3 420.557 4.038 50 0 HIAAHN CCN(CC)c1onc(-c2ccccc2)c1CN(CCC(C)C)C[C@H](O)COC ZINC000036248935 569117968 /nfs/dbraw/zinc/11/79/68/569117968.db2.gz RIEURNYUTOLULU-FQEVSTJZSA-N 0 3 403.567 4.043 50 0 HIAAHN CCN(CC)c1onc(-c2ccccc2)c1CN(CCN(C)C)C(=O)c1ccccc1 ZINC000036249511 569118521 /nfs/dbraw/zinc/11/85/21/569118521.db2.gz FTKWEORNINOENW-UHFFFAOYSA-N 0 3 420.557 4.392 50 0 HIAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000170599316 569242725 /nfs/dbraw/zinc/24/27/25/569242725.db2.gz NBISRCSIMOAJRK-QHCPKHFHSA-N 0 3 420.532 4.269 50 0 HIAAHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)Cc1cccc(Cl)c1 ZINC000089702556 569262836 /nfs/dbraw/zinc/26/28/36/569262836.db2.gz VASBXQLMHLENJR-OAQYLSRUSA-N 0 3 408.933 4.473 50 0 HIAAHN Cc1cc(O)c([C@H](c2ccc(F)cc2)N2CCC(C)CC2)c(=O)n1Cc1ccccn1 ZINC000016993694 569270837 /nfs/dbraw/zinc/27/08/37/569270837.db2.gz PFAYJGHDETZCAQ-DEOSSOPVSA-N 0 3 421.516 4.266 50 0 HIAAHN CCN1C[C@@H](CN(C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)CC1=O ZINC000012055367 569365149 /nfs/dbraw/zinc/36/51/49/569365149.db2.gz MPTLJRKEEAKIRR-LJQANCHMSA-N 0 3 420.532 4.287 50 0 HIAAHN Brc1ccc2[nH]c3c(ncnc3N3CCN(C4CCCCC4)CC3)c2c1 ZINC000002302281 569372218 /nfs/dbraw/zinc/37/22/18/569372218.db2.gz KGIGHECWVIBXCC-UHFFFAOYSA-N 0 3 414.351 4.328 50 0 HIAAHN O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2ccccc2F)N1c1nncs1 ZINC000002400779 569395463 /nfs/dbraw/zinc/39/54/63/569395463.db2.gz NNOHKZQZNGTWEV-OAHLLOKOSA-N 0 3 413.817 4.187 50 0 HIAAHN CCN(C(=O)Nc1ccc(NC(C)=O)c(OC)c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000079067714 569426550 /nfs/dbraw/zinc/42/65/50/569426550.db2.gz JVNZEMYXBWEJSX-LAUBAEHRSA-N 0 3 424.545 4.343 50 0 HIAAHN O=C(c1cnc2ccc(F)cc2c1N1CCN(C2CCCCC2)CC1)N1CCCC1 ZINC000067287963 571065872 /nfs/dbraw/zinc/06/58/72/571065872.db2.gz LQSIQPXCJSUGOP-UHFFFAOYSA-N 0 3 410.537 4.065 50 0 HIAAHN Cc1cc2oc(=O)c(CC(=O)NCCN(C)C)c(C)c2c2occ(-c3ccccc3)c21 ZINC000008764637 571114990 /nfs/dbraw/zinc/11/49/90/571114990.db2.gz SCGZHLOJBVFJJB-UHFFFAOYSA-N 0 3 418.493 4.043 50 0 HIAAHN CC(C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000040106069 571166725 /nfs/dbraw/zinc/16/67/25/571166725.db2.gz HNFKIUSWTJIMQG-STQMWFEESA-N 0 3 400.327 4.174 50 0 HIAAHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(Cn2cccn2)cc1 ZINC000040142748 571193577 /nfs/dbraw/zinc/19/35/77/571193577.db2.gz HIJJVJCJIWDQGB-XMMPIXPASA-N 0 3 416.569 4.134 50 0 HIAAHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000245225095 571217543 /nfs/dbraw/zinc/21/75/43/571217543.db2.gz MNNOYICWPVJMDY-MCIONIFRSA-N 0 3 424.916 4.385 50 0 HIAAHN Cc1cccc(NC(=O)N2CCC[C@H](CCC(=O)NCCN3CCCC[C@H]3C)C2)c1 ZINC000245281364 571222661 /nfs/dbraw/zinc/22/26/61/571222661.db2.gz XQZVPFJRKSLDTP-NHCUHLMSSA-N 0 3 414.594 4.010 50 0 HIAAHN Cc1c2cc(Br)ccc2oc1C(=O)NCc1ccccc1CN(C)C ZINC000009916987 571290166 /nfs/dbraw/zinc/29/01/66/571290166.db2.gz LCGRWGMFXFWOPD-UHFFFAOYSA-N 0 3 401.304 4.495 50 0 HIAAHN CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000010213884 571296739 /nfs/dbraw/zinc/29/67/39/571296739.db2.gz FFAAIEWCXYAZIE-GOSISDBHSA-N 0 3 411.889 4.034 50 0 HIAAHN CCOc1cccc2c1OC1(CCN(CC)CC1)N1N=C(c3ccc(OC)cc3)C[C@H]21 ZINC000010214332 571296785 /nfs/dbraw/zinc/29/67/85/571296785.db2.gz JIJTUQIKVSUPFK-JOCHJYFZSA-N 0 3 421.541 4.449 50 0 HIAAHN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(F)c1)N(CCCN(C)C)C3=O ZINC000010233137 571297503 /nfs/dbraw/zinc/29/75/03/571297503.db2.gz NHWPEZPDTUEYCI-NRFANRHFSA-N 0 3 408.473 4.046 50 0 HIAAHN CCc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N2CCCC2)cc1 ZINC000010334111 571300803 /nfs/dbraw/zinc/30/08/03/571300803.db2.gz ONCKQAIUIWDVDU-XMMPIXPASA-N 0 3 415.537 4.294 50 0 HIAAHN Cc1nc(N2CCC[C@H](N3CCOc4ccccc4C3)CC2)nc2ccc(F)cc12 ZINC000012054197 845851428 /nfs/dbraw/zinc/85/14/28/845851428.db2.gz LIPAJVMBFIUJKO-FQEVSTJZSA-N 0 3 406.505 4.331 50 0 HIAAHN OC[C@]1(CCOc2ccccc2)CCCN(Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000012298228 845866074 /nfs/dbraw/zinc/86/60/74/845866074.db2.gz FYZYOQQOWHXROR-VWLOTQADSA-N 0 3 419.525 4.313 50 0 HIAAHN COc1ccccc1/C=C/CN1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1 ZINC000012449470 845871053 /nfs/dbraw/zinc/87/10/53/845871053.db2.gz NKWHYJLVQMDWEO-NJTIBFSMSA-N 0 3 421.585 4.297 50 0 HIAAHN O=C(NCCc1ccccc1)N(C1CCOCC1)C1CCN(Cc2ccccc2)CC1 ZINC000169760594 853657610 /nfs/dbraw/zinc/65/76/10/853657610.db2.gz YJGSIEACRYZLPK-UHFFFAOYSA-N 0 3 421.585 4.084 50 0 HIAAHN COc1cccc(CN2CCC[C@@H](c3nc(CCOc4cccc(C)c4)no3)C2)c1 ZINC000257193295 854234918 /nfs/dbraw/zinc/23/49/18/854234918.db2.gz XXDCWAMGWIOIFW-HXUWFJFHSA-N 0 3 407.514 4.388 50 0 HIAAHN COc1cc(CNCCN(C)C)cc(Cl)c1OCc1c(F)cccc1Cl ZINC000040720599 522449585 /nfs/dbraw/zinc/44/95/85/522449585.db2.gz ZNDFDGQTDZETRS-UHFFFAOYSA-N 0 3 401.309 4.371 50 0 HIAAHN COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(Cc3cnc(C)[nH]3)C2)cc1 ZINC000042917346 523139222 /nfs/dbraw/zinc/13/92/22/523139222.db2.gz KFEVVEDGULOEOQ-IBGZPJMESA-N 0 3 404.514 4.244 50 0 HIAAHN COc1ccc2[nH]c(CN3CCC[C@H](N4CCN(c5ccccc5)CC4)C3)c(C)c2c1 ZINC000020600341 525481751 /nfs/dbraw/zinc/48/17/51/525481751.db2.gz QRGVVBSBURSORU-QFIPXVFZSA-N 0 3 418.585 4.272 50 0 HIAAHN COc1cccc(CNCCc2ccccc2F)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734654 526017016 /nfs/dbraw/zinc/01/70/16/526017016.db2.gz OUHPNDHCDZOBLV-UHFFFAOYSA-N 0 3 422.500 4.493 50 0 HIAAHN Fc1ccccc1N1CCN([C@@H]2CCCN(Cc3c[nH]nc3-c3ccccc3)C2)CC1 ZINC000020599543 526413299 /nfs/dbraw/zinc/41/32/99/526413299.db2.gz QXFHZAWDESGMHL-JOCHJYFZSA-N 0 3 419.548 4.002 50 0 HIAAHN Fc1ccccc1N1CCN([C@H]2CCCN(Cc3ccc4ccccc4n3)C2)CC1 ZINC000020540588 526413325 /nfs/dbraw/zinc/41/33/25/526413325.db2.gz BSQJFRIYCJCYDJ-QFIPXVFZSA-N 0 3 404.533 4.161 50 0 HIAAHN CCN1CCc2ccc(OCC(=O)NCc3ccccc3)cc2[C@@H]1c1ccccc1 ZINC000034667411 557360989 /nfs/dbraw/zinc/36/09/89/557360989.db2.gz LILDPIDCFWXUFF-SANMLTNESA-N 0 3 400.522 4.349 50 0 HIAAHN COc1ccc2c(c1)oc1c(c2=O)C(c2ccccc2F)N(c2nccs2)C1=O ZINC000006660586 557712791 /nfs/dbraw/zinc/71/27/91/557712791.db2.gz RPLPMSLBLUBRRX-KRWDZBQOSA-N 0 3 408.410 4.147 50 0 HIAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4C)[C@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000008741697 557803969 /nfs/dbraw/zinc/80/39/69/557803969.db2.gz NBDBZMFKTUEVEG-NJDAHSKKSA-N 0 3 420.490 4.116 50 0 HIAAHN CCN1CCC[C@H]1CN[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000022875303 557843664 /nfs/dbraw/zinc/84/36/64/557843664.db2.gz BGJMXTWCMLLLQP-RXVVDRJESA-N 0 3 401.938 4.102 50 0 HIAAHN Brc1ccc(OCc2ccccc2)c(CNCCCn2ccnc2)c1 ZINC000010314016 557859395 /nfs/dbraw/zinc/85/93/95/557859395.db2.gz RWZFNDVNTLYNQU-UHFFFAOYSA-N 0 3 400.320 4.405 50 0 HIAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC[C@@H](CO)C2)cc1F ZINC000011705687 558270873 /nfs/dbraw/zinc/27/08/73/558270873.db2.gz UBMVCJHPPFJHIB-GOSISDBHSA-N 0 3 409.505 4.200 50 0 HIAAHN C/C=C(\C)CN1CCc2nnc([C@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000011782273 558274939 /nfs/dbraw/zinc/27/49/39/558274939.db2.gz CGLNVWWRSCOJHW-BLJICVJPSA-N 0 3 423.605 4.236 50 0 HIAAHN Cn1cc(CN2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)c2ccccc21 ZINC000011821228 558284455 /nfs/dbraw/zinc/28/44/55/558284455.db2.gz JJHICAPVZYYSKV-UHFFFAOYSA-N 0 3 417.553 4.458 50 0 HIAAHN Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000019852012 558295878 /nfs/dbraw/zinc/29/58/78/558295878.db2.gz VWFKWGKJSFSIBW-HSZRJFAPSA-N 0 3 413.585 4.007 50 0 HIAAHN Cc1ccc(CN2C(=O)CC[C@@H]2CCNCc2cc3c(cc2Cl)OCO3)cc1 ZINC000011909672 558296327 /nfs/dbraw/zinc/29/63/27/558296327.db2.gz POWVMSOBTGIKIS-GOSISDBHSA-N 0 3 400.906 4.048 50 0 HIAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)CCc2cccnc2)CC1 ZINC000011937884 558301302 /nfs/dbraw/zinc/30/13/02/558301302.db2.gz WFJLUYJDQWVMSI-UHFFFAOYSA-N 0 3 423.601 4.420 50 0 HIAAHN COc1ccccc1C(=O)Nc1ccnn1C1CCN(C/C=C/c2ccccc2)CC1 ZINC000011949142 558302541 /nfs/dbraw/zinc/30/25/41/558302541.db2.gz PPRCIIWOFYPZPE-JXMROGBWSA-N 0 3 416.525 4.494 50 0 HIAAHN CCOc1cc(CN2CCC3(C[C@H]3C(=O)NCCc3ccccc3)CC2)ccc1OC ZINC000011978339 558305778 /nfs/dbraw/zinc/30/57/78/558305778.db2.gz YTCGFGCZKBSRRM-QFIPXVFZSA-N 0 3 422.569 4.055 50 0 HIAAHN CCOc1ccc(CN2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)cc1CO ZINC000012072346 558317809 /nfs/dbraw/zinc/31/78/09/558317809.db2.gz TXOKYCADAWGOHO-GOSISDBHSA-N 0 3 414.521 4.348 50 0 HIAAHN Brc1cccc(CN2CCC(N3CCN(c4ccccc4)CC3)CC2)c1 ZINC000020082167 558330843 /nfs/dbraw/zinc/33/08/43/558330843.db2.gz AKSXTKYVCFPRDI-UHFFFAOYSA-N 0 3 414.391 4.236 50 0 HIAAHN O=C(CC1C(=O)N(C2CCCCC2)c2nc3ccccc3n21)Nc1cccc(F)c1 ZINC000020103505 558332596 /nfs/dbraw/zinc/33/25/96/558332596.db2.gz XDJJKIWOAWKRIO-HXUWFJFHSA-N 0 3 406.461 4.425 50 0 HIAAHN Cc1ccc2cc(CN[C@@H]3CCS(=O)(=O)C3)c(-c3cccc(Cl)c3)nc2c1 ZINC000012191162 558347612 /nfs/dbraw/zinc/34/76/12/558347612.db2.gz RVLDHCKATAQWPL-LJQANCHMSA-N 0 3 400.931 4.140 50 0 HIAAHN COc1ccccc1CNC(=O)COc1ccc(-c2ccccc2)cc1CN(C)C ZINC000012244453 558361170 /nfs/dbraw/zinc/36/11/70/558361170.db2.gz UXTHGEQDILNFJD-UHFFFAOYSA-N 0 3 404.510 4.119 50 0 HIAAHN c1[nH]nc(C2CCCCC2)c1CN1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020449649 558364859 /nfs/dbraw/zinc/36/48/59/558364859.db2.gz ZFHKXAXHLIVYKM-XMMPIXPASA-N 0 3 407.606 4.244 50 0 HIAAHN CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000012303665 558372988 /nfs/dbraw/zinc/37/29/88/558372988.db2.gz ULQPNNZXZGXABL-UHFFFAOYSA-N 0 3 417.553 4.475 50 0 HIAAHN O=C(c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)N1CCN2CCC[C@H]2C1 ZINC000012317695 558381149 /nfs/dbraw/zinc/38/11/49/558381149.db2.gz RSLWFKNNYAWWIT-HNNXBMFYSA-N 0 3 420.460 4.002 50 0 HIAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)C2(c3ccccc3)CC2)cc1 ZINC000012373094 558390607 /nfs/dbraw/zinc/39/06/07/558390607.db2.gz WYHNPMCJSRSOJM-UHFFFAOYSA-N 0 3 406.570 4.140 50 0 HIAAHN O=C(Nc1ccnn1C1CCN(Cc2ccc(-n3cccn3)cc2)CC1)C1CCCC1 ZINC000012385980 558394817 /nfs/dbraw/zinc/39/48/17/558394817.db2.gz SHWPLSLSEHXBDA-UHFFFAOYSA-N 0 3 418.545 4.035 50 0 HIAAHN COc1ccc(-n2ccnc2CN(C)CC2CCN(Cc3ccc(C)o3)CC2)cc1 ZINC000012429512 558404498 /nfs/dbraw/zinc/40/44/98/558404498.db2.gz MDMUWRNGXBQQHN-UHFFFAOYSA-N 0 3 408.546 4.126 50 0 HIAAHN CC[C@@H](CO)NCc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020873826 558418298 /nfs/dbraw/zinc/41/82/98/558418298.db2.gz HKXYEMWPZLNGNK-KRWDZBQOSA-N 0 3 408.336 4.206 50 0 HIAAHN CCCOc1c(Br)cc(Br)cc1CNC[C@H]1CCCO1 ZINC000020929669 558423947 /nfs/dbraw/zinc/42/39/47/558423947.db2.gz HFDFVBWLXGABNI-CYBMUJFWSA-N 0 3 407.146 4.269 50 0 HIAAHN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3cccs3)C2)c(OC)c1 ZINC000012570360 558428717 /nfs/dbraw/zinc/42/87/17/558428717.db2.gz RUUBNFSRHMOYGM-QGZVFWFLSA-N 0 3 402.560 4.074 50 0 HIAAHN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2ccc(NC(C)=O)cc2)C1 ZINC000012581006 558432665 /nfs/dbraw/zinc/43/26/65/558432665.db2.gz ZMBRTCHVTKLOFF-RUZDIDTESA-N 0 3 424.541 4.042 50 0 HIAAHN Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CCC[C@@H](C(N)=O)C2)c(C)s1 ZINC000012596702 558438022 /nfs/dbraw/zinc/43/80/22/558438022.db2.gz NDXSFRJWHHXSJV-MRXNPFEDSA-N 0 3 412.534 4.054 50 0 HIAAHN CCCC(=O)OC[C@H](O)CN(CCC(C)C)Cc1cccn1Cc1ccccc1 ZINC000004354254 558439868 /nfs/dbraw/zinc/43/98/68/558439868.db2.gz VXRZYVOKODTIHC-HSZRJFAPSA-N 0 3 400.563 4.089 50 0 HIAAHN O=C1NCCCC[C@@H]1NCc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000012756965 558460364 /nfs/dbraw/zinc/46/03/64/558460364.db2.gz LJNUYTMCKPDAIB-FQEVSTJZSA-N 0 3 412.896 4.090 50 0 HIAAHN CC(C)[C@H](NCC(=O)N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000012794531 558467645 /nfs/dbraw/zinc/46/76/45/558467645.db2.gz FKAUAKAPAYJVPS-BWKNWUBXSA-N 0 3 408.542 4.328 50 0 HIAAHN CC(=O)c1ccc(S(=O)(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)cc1 ZINC000024445276 558597803 /nfs/dbraw/zinc/59/78/03/558597803.db2.gz RXZNWALBRZQEGT-UHFFFAOYSA-N 0 3 422.550 4.096 50 0 HIAAHN Cc1ccc(-c2nc(CC(=O)N[C@H]3CCN(Cc4ccccc4)C3)cs2)c(C)c1 ZINC000024836932 558616210 /nfs/dbraw/zinc/61/62/10/558616210.db2.gz DNXYMLSENASXKH-FQEVSTJZSA-N 0 3 405.567 4.360 50 0 HIAAHN CN1CCC2(CC1)C[C@@H](NC(=O)Nc1nc3ccccc3s1)c1ccccc1O2 ZINC000027345430 558672317 /nfs/dbraw/zinc/67/23/17/558672317.db2.gz YDYZZWWDJWFRTP-QGZVFWFLSA-N 0 3 408.527 4.406 50 0 HIAAHN CNc1cc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccc(C(C)C)cc2)C3)ccn1 ZINC000014959744 558683541 /nfs/dbraw/zinc/68/35/41/558683541.db2.gz VKBDDVIWDUNUGM-VWLOTQADSA-N 0 3 406.574 4.375 50 0 HIAAHN Cc1ccc([C@H](CNC(=O)COc2ccc(Br)cc2)N2CCCC2)cc1 ZINC000027989312 558687856 /nfs/dbraw/zinc/68/78/56/558687856.db2.gz NJFLDTXRRUMFSG-FQEVSTJZSA-N 0 3 417.347 4.090 50 0 HIAAHN COC(=O)c1ccc(-c2nc(CN3CCCC[C@H]3CCn3cccn3)c(C)o2)cc1 ZINC000014980737 558691110 /nfs/dbraw/zinc/69/11/10/558691110.db2.gz WSQQSOQXVGPWHW-FQEVSTJZSA-N 0 3 408.502 4.078 50 0 HIAAHN COc1ccc(-n2cc(CNCCn3cccn3)c(-c3ccccc3Cl)n2)cc1 ZINC000015063568 558706188 /nfs/dbraw/zinc/70/61/88/558706188.db2.gz DCJAQZCZOLEDQG-UHFFFAOYSA-N 0 3 407.905 4.188 50 0 HIAAHN O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1CCCc1ccccc1 ZINC000015070269 558712282 /nfs/dbraw/zinc/71/22/82/558712282.db2.gz HUDISAJDDNCJBL-LJQANCHMSA-N 0 3 414.933 4.172 50 0 HIAAHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccccc1C(F)(F)F ZINC000030937581 558744847 /nfs/dbraw/zinc/74/48/47/558744847.db2.gz USASSEANDCNFJU-KRWDZBQOSA-N 0 3 414.387 4.134 50 0 HIAAHN Cc1cccc(OCC(=O)N(C[C@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000072304628 558757281 /nfs/dbraw/zinc/75/72/81/558757281.db2.gz YFNNSMIYHZKLCP-FQEVSTJZSA-N 0 3 420.475 4.287 50 0 HIAAHN CCOc1cc(CN2CCCCC[C@H]2c2ccc(OC)cc2)ccc1OCC(N)=O ZINC000033087229 558760689 /nfs/dbraw/zinc/76/06/89/558760689.db2.gz TYZVUHCQOHOJPD-NRFANRHFSA-N 0 3 412.530 4.075 50 0 HIAAHN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(CCCN(C)C)C3=O ZINC000016750946 558804656 /nfs/dbraw/zinc/80/46/56/558804656.db2.gz SXEXBWAUAJTLCO-HXUWFJFHSA-N 0 3 410.901 4.252 50 0 HIAAHN Cc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3=O)c2c1 ZINC000018088241 558830998 /nfs/dbraw/zinc/83/09/98/558830998.db2.gz TZBCLDYCSCWGIC-LJQANCHMSA-N 0 3 416.308 4.247 50 0 HIAAHN CN1CCN(CCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000019338440 558870893 /nfs/dbraw/zinc/87/08/93/558870893.db2.gz DOUQJBPSTIKRPH-UHFFFAOYSA-N 0 3 421.488 4.472 50 0 in-man HIAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)CCn2ccnc2)cc1F ZINC000055182613 558875043 /nfs/dbraw/zinc/87/50/43/558875043.db2.gz GEWLMYPXFCPOGO-UHFFFAOYSA-N 0 3 419.504 4.324 50 0 HIAAHN CCOC(=O)C1C(CNC(C)(C)CC(C)(C)C)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000004689224 558899232 /nfs/dbraw/zinc/89/92/32/558899232.db2.gz VPEHNWSWTAQEKI-FQEVSTJZSA-N 0 3 415.578 4.279 50 0 HIAAHN CCOC(=O)C1=C(CNC(C)(C)CC(C)(C)C)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000004689224 558899234 /nfs/dbraw/zinc/89/92/34/558899234.db2.gz VPEHNWSWTAQEKI-FQEVSTJZSA-N 0 3 415.578 4.279 50 0 HIAAHN Cc1nc(C)c(C(=O)NCC2(N(C)Cc3ccccc3)Cc3ccccc3C2)s1 ZINC000019608124 558946616 /nfs/dbraw/zinc/94/66/16/558946616.db2.gz QBKZBORLBBTTQK-UHFFFAOYSA-N 0 3 405.567 4.159 50 0 HIAAHN C[C@H]1CN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CCN1C ZINC000072453566 558982865 /nfs/dbraw/zinc/98/28/65/558982865.db2.gz ISKUQQUIRCNTKA-HNNXBMFYSA-N 0 3 409.917 4.420 50 0 HIAAHN Cn1ncc(CN2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)c1C1CC1 ZINC000072479641 558984069 /nfs/dbraw/zinc/98/40/69/558984069.db2.gz ZROIHKLYSGUYEE-UHFFFAOYSA-N 0 3 419.495 4.346 50 0 HIAAHN CC(C)[C@@](C)(N)C(=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067712679 558991731 /nfs/dbraw/zinc/99/17/31/558991731.db2.gz SGQFRVMIPCTHBZ-RUZDIDTESA-N 0 3 403.526 4.113 50 0 HIAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CNCCc2cscn2)c(F)c1 ZINC000082039425 559036026 /nfs/dbraw/zinc/03/60/26/559036026.db2.gz NBITZEVFJUPOIX-UHFFFAOYSA-N 0 3 408.502 4.476 50 0 HIAAHN CC1CCN(CCNC(=O)c2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)CC1 ZINC000033278979 559042384 /nfs/dbraw/zinc/04/23/84/559042384.db2.gz SYDWRXJDFKNRQE-UHFFFAOYSA-N 0 3 408.477 4.004 50 0 HIAAHN Cc1ccc([C@H](C(=O)NCC(C)(C)N2CCCCC2)N2Cc3ccccc3C2=O)cc1 ZINC000033313875 559055222 /nfs/dbraw/zinc/05/52/22/559055222.db2.gz AIFZLIWCWBIDQH-HSZRJFAPSA-N 0 3 419.569 4.073 50 0 HIAAHN CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000011614683 559114592 /nfs/dbraw/zinc/11/45/92/559114592.db2.gz SSJPLKLEIAIENB-IBGZPJMESA-N 0 3 414.864 4.082 50 0 HIAAHN Cc1cccc2cc(CN3CCN(C)[C@@H](CCO)C3)c(-c3cccc(Cl)c3)nc12 ZINC000107016430 559164317 /nfs/dbraw/zinc/16/43/17/559164317.db2.gz IZPKBHYCBIMNRY-QFIPXVFZSA-N 0 3 409.961 4.362 50 0 HIAAHN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000023737725 559179529 /nfs/dbraw/zinc/17/95/29/559179529.db2.gz OTHAQESBWNKBOP-HXUWFJFHSA-N 0 3 408.933 4.401 50 0 HIAAHN CN(C)c1ncc(CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)s1 ZINC000011753802 559257547 /nfs/dbraw/zinc/25/75/47/559257547.db2.gz KLWKQEYQRUJOAT-UHFFFAOYSA-N 0 3 406.983 4.493 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccnc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000017991480 560733193 /nfs/dbraw/zinc/73/31/93/560733193.db2.gz XAMWYDMNVIRRQK-TZRRMPRUSA-N 0 3 421.456 4.286 50 0 HIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@@H]3C2=O)c1 ZINC000102765567 560825120 /nfs/dbraw/zinc/82/51/20/560825120.db2.gz RDNUDPXUHZXUGP-RJGXRXQPSA-N 0 3 414.461 4.055 50 0 HIAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000102861322 560831864 /nfs/dbraw/zinc/83/18/64/560831864.db2.gz YIUVGXMAJGCVAH-YTFSRNRJSA-N 0 3 414.461 4.055 50 0 HIAAHN CCN(CC(=O)Nc1ccc(OC(F)F)cc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000106160291 560884855 /nfs/dbraw/zinc/88/48/55/560884855.db2.gz VCWORKIBBHLLMB-XLIONFOSSA-N 0 3 417.500 4.384 50 0 HIAAHN O=C(c1ccc(OC(F)F)cc1)C(C(=S)[N-]Cc1ccco1)[n+]1ccccc1 ZINC000003293885 560887013 /nfs/dbraw/zinc/88/70/13/560887013.db2.gz JNLJOMBJCQGVNI-UHFFFAOYSA-O 0 3 403.430 4.170 50 0 HIAAHN CCn1c(C)cc(O)c([C@@H](c2ccccn2)N2CCC(Cc3ccccc3)CC2)c1=O ZINC000022697399 568415495 /nfs/dbraw/zinc/41/54/95/568415495.db2.gz LOYKXRPFYRASQW-RUZDIDTESA-N 0 3 417.553 4.321 50 0 HIAAHN COc1cccc(OC)c1C(=O)C1CC(=O)Nc2c1c(C)nn2-c1cc(C)cc(C)c1 ZINC000046057767 568426340 /nfs/dbraw/zinc/42/63/40/568426340.db2.gz QXWZNQXVIZDPFW-QGZVFWFLSA-N 0 3 419.481 4.123 50 0 HIAAHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000095408035 568606332 /nfs/dbraw/zinc/60/63/32/568606332.db2.gz XVCGPRDEXSZEKB-JXFKEZNVSA-N 0 3 406.448 4.111 50 0 HIAAHN Cc1ccccc1C(=O)N1C(=S)C(c2ccccc2)=NC12CCN(C(C)C)CC2 ZINC000020436146 568607203 /nfs/dbraw/zinc/60/72/03/568607203.db2.gz JXFFRXOTBSXWOC-UHFFFAOYSA-N 0 3 405.567 4.468 50 0 HIAAHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)C1 ZINC000095452797 568615292 /nfs/dbraw/zinc/61/52/92/568615292.db2.gz ITDHDBLCBYQMEP-OXQOHEQNSA-N 0 3 414.937 4.262 50 0 HIAAHN Cc1ccc(-c2noc([C@@H](C)N(C)C3CCN(CCc4ccncc4)CC3)n2)cc1F ZINC000095459785 568619859 /nfs/dbraw/zinc/61/98/59/568619859.db2.gz GZPXTFRVZBIGNH-GOSISDBHSA-N 0 3 423.536 4.279 50 0 HIAAHN COc1cccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCC(C)CC2)c1 ZINC000020604710 568636189 /nfs/dbraw/zinc/63/61/89/568636189.db2.gz XTABJDZAJQWELJ-XMMPIXPASA-N 0 3 422.525 4.334 50 0 aggregator HIAAHN COc1cccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCC(C)CC2)c1 ZINC000020604712 568636233 /nfs/dbraw/zinc/63/62/33/568636233.db2.gz XTABJDZAJQWELJ-DEOSSOPVSA-N 0 3 422.525 4.334 50 0 aggregator HIAAHN C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000095945470 568663597 /nfs/dbraw/zinc/66/35/97/568663597.db2.gz OVCPNPRBEQLVDK-RXVVDRJESA-N 0 3 402.583 4.028 50 0 HIAAHN CCN(CC)CCN(C(=O)CCc1c(C)nn(C)c1C)c1cccc(C(F)(F)F)c1 ZINC000095986345 568676546 /nfs/dbraw/zinc/67/65/46/568676546.db2.gz YFFYFEYKBIZONT-UHFFFAOYSA-N 0 3 424.511 4.363 50 0 HIAAHN O=C(CCc1conc1-c1ccc(F)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000096386678 568743433 /nfs/dbraw/zinc/74/34/33/568743433.db2.gz WZVNXQCGLVOYHU-UHFFFAOYSA-N 0 3 407.489 4.194 50 0 HIAAHN CCc1ccccc1NC(=O)C1=C(C)C(=O)OC12CCN(Cc1ccccc1)CC2 ZINC000021868356 568756079 /nfs/dbraw/zinc/75/60/79/568756079.db2.gz NQOLWNFUDLHVAR-UHFFFAOYSA-N 0 3 404.510 4.096 50 0 HIAAHN Cc1ccccc1Cn1nc(CNCCCOc2ccccn2)c(-c2ccccc2)n1 ZINC000261492432 568820459 /nfs/dbraw/zinc/82/04/59/568820459.db2.gz ANTDQXCNMFMKKT-UHFFFAOYSA-N 0 3 413.525 4.256 50 0 HIAAHN CN(C)CCN(CCCc1ccccc1)C(=O)Cc1csc(-c2ccsc2)n1 ZINC000058158913 568893782 /nfs/dbraw/zinc/89/37/82/568893782.db2.gz XLOLBVXXQVEAEZ-UHFFFAOYSA-N 0 3 413.612 4.437 50 0 HIAAHN Cn1c2c(c3c1CCN(C)[C@H]3c1ccc(F)cc1)[C@H](c1ccc(F)cc1)N(C)CC2 ZINC000001244293 568908460 /nfs/dbraw/zinc/90/84/60/568908460.db2.gz AWJNVDVMXBWHKB-DQEYMECFSA-N 0 3 407.508 4.458 50 0 HIAAHN O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012737408 568925220 /nfs/dbraw/zinc/92/52/20/568925220.db2.gz DEWGEAJQZHERMI-SFHVURJKSA-N 0 3 409.917 4.318 50 0 HIAAHN COc1ccc([C@H](CNC(=O)COc2ccc3oc4ccccc4c3c2)N(C)C)cc1 ZINC000012736360 568925486 /nfs/dbraw/zinc/92/54/86/568925486.db2.gz BTIHZNHRFAAPMH-QFIPXVFZSA-N 0 3 418.493 4.393 50 0 HIAAHN CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC(C)(C)NC3(C)C)cc1 ZINC000004275283 568962358 /nfs/dbraw/zinc/96/23/58/568962358.db2.gz IGWHJDOUOMICIV-UHFFFAOYSA-N 0 3 416.543 4.345 50 0 HIAAHN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000007988888 568966090 /nfs/dbraw/zinc/96/60/90/568966090.db2.gz JNOMEPBJGGLQFX-UHFFFAOYSA-N 0 3 416.569 4.203 50 0 HIAAHN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000007989527 568966480 /nfs/dbraw/zinc/96/64/80/568966480.db2.gz KBEVXMSISOXWSI-NRFANRHFSA-N 0 3 424.976 4.104 50 0 HIAAHN Cc1cc(SCC(=O)NC2CCN(Cc3ccccc3)CC2)nc2ccccc12 ZINC000007990016 568966702 /nfs/dbraw/zinc/96/67/02/568966702.db2.gz OTJSSCNXSUNNJP-UHFFFAOYSA-N 0 3 405.567 4.416 50 0 HIAAHN CC1CCN([C@@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)c2cccs2)CC1 ZINC000008272176 568986410 /nfs/dbraw/zinc/98/64/10/568986410.db2.gz OFEGJSMBCMYGPL-FQEVSTJZSA-N 0 3 411.571 4.078 50 0 HIAAHN O=C(/C=C/c1ccc(OCc2ccccn2)cc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000036397304 569048056 /nfs/dbraw/zinc/04/80/56/569048056.db2.gz LDALBWYMLKPNAA-RBNVVWFDSA-N 0 3 413.521 4.065 50 0 HIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4C)[C@H]3C2=O)c1 ZINC000245311970 569055779 /nfs/dbraw/zinc/05/57/79/569055779.db2.gz RDNUDPXUHZXUGP-DNVJHFABSA-N 0 3 414.461 4.055 50 0 HIAAHN CN(C)CCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669381 569078669 /nfs/dbraw/zinc/07/86/69/569078669.db2.gz CVJFKNYOKWKXDW-UHFFFAOYSA-N 0 3 410.493 4.356 50 0 HIAAHN CCOc1cccc(CNC(=O)C2CCN(Cc3cn(C)c4ccccc34)CC2)c1 ZINC000064669620 569078824 /nfs/dbraw/zinc/07/88/24/569078824.db2.gz OGPZRPNUGHVVDV-UHFFFAOYSA-N 0 3 405.542 4.105 50 0 HIAAHN Cc1ccc(CN(C[C@H](O)COc2ccc(Cl)cc2)C[C@H]2CCCO2)c(C)c1 ZINC000036031374 569080962 /nfs/dbraw/zinc/08/09/62/569080962.db2.gz KMJNBVKULZSWQF-JTHBVZDNSA-N 0 3 403.950 4.378 50 0 HIAAHN Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccccc2)cc1 ZINC000036101902 569091733 /nfs/dbraw/zinc/09/17/33/569091733.db2.gz DLJARRHVTMIKML-DEOSSOPVSA-N 0 3 419.521 4.304 50 0 HIAAHN COc1ccc(CN(Cc2ccccc2)C[C@H](O)COc2ccc(OC)cc2)cc1 ZINC000036102170 569091789 /nfs/dbraw/zinc/09/17/89/569091789.db2.gz DANDMDXSEGBKJN-QFIPXVFZSA-N 0 3 407.510 4.146 50 0 HIAAHN COc1cccc(Oc2c(CN(C[C@@H](C)O)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305448 569129568 /nfs/dbraw/zinc/12/95/68/569129568.db2.gz FYSCYPSUZWJGJB-GOSISDBHSA-N 0 3 409.530 4.479 50 0 HIAAHN CCN(Cc1ccccc1)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006809612 569133581 /nfs/dbraw/zinc/13/35/81/569133581.db2.gz SUXNLXCDPSSYAD-SFTDATJTSA-N 0 3 406.979 4.452 50 0 HIAAHN Cc1ccc(CNC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)CN(C)CC3)cc1 ZINC000006877425 569164280 /nfs/dbraw/zinc/16/42/80/569164280.db2.gz XHKLLDVLRDWMHV-QGZVFWFLSA-N 0 3 408.571 4.396 50 0 HIAAHN CCN1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000006877681 569164632 /nfs/dbraw/zinc/16/46/32/569164632.db2.gz ZETSJTFABQARET-UHFFFAOYSA-N 0 3 413.493 4.115 50 0 HIAAHN O=C(NCc1ccccc1CN1CCC[C@H]1CO)Nc1ccc(-c2nccs2)cc1 ZINC000170593781 569241295 /nfs/dbraw/zinc/24/12/95/569241295.db2.gz IJJYTMSWFRMWLT-NRFANRHFSA-N 0 3 422.554 4.089 50 0 HIAAHN CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000002405599 569396046 /nfs/dbraw/zinc/39/60/46/569396046.db2.gz ZMMCDIKLSSWXRG-JOCHJYFZSA-N 0 3 420.509 4.079 50 0 HIAAHN CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000002406331 569396083 /nfs/dbraw/zinc/39/60/83/569396083.db2.gz NKFMFZZSSQJCJO-JOCHJYFZSA-N 0 3 404.510 4.413 50 0 HIAAHN O=C(Nc1nnc(C2CC2)s1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000078954337 569422002 /nfs/dbraw/zinc/42/20/02/569422002.db2.gz VLBSETJJLBSKQX-UHFFFAOYSA-N 0 3 411.575 4.468 50 0 HIAAHN CCN1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(Cl)c2C)C1=O ZINC000019881296 569433069 /nfs/dbraw/zinc/43/30/69/569433069.db2.gz VTZVLLJQXUYARX-FABDANFUSA-N 0 3 423.944 4.250 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)c3cc4cc(OC)ccc4nc3C)c(C)c2)CC1 ZINC000040024180 571139737 /nfs/dbraw/zinc/13/97/37/571139737.db2.gz ODTYQQWZKMAWQK-UHFFFAOYSA-N 0 3 418.541 4.254 50 0 HIAAHN Cc1c(=O)c2cccc(C(=O)NCCCN3CCCCC3)c2oc1-c1ccccc1 ZINC000010086772 571294852 /nfs/dbraw/zinc/29/48/52/571294852.db2.gz RIXDSOSZMUTZMB-UHFFFAOYSA-N 0 3 404.510 4.374 50 0 HIAAHN COc1ccccc1C(=O)Nc1ccc(N2CCCN(Cc3cccs3)CC2)nc1 ZINC000034681827 571316387 /nfs/dbraw/zinc/31/63/87/571316387.db2.gz DITYSZFJMRFHKC-UHFFFAOYSA-N 0 3 422.554 4.116 50 0 HIAAHN CN1CCCN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000003382668 845015405 /nfs/dbraw/zinc/01/54/05/845015405.db2.gz IXRQNOGXPHZFSO-JLHYYAGUSA-N 0 3 420.944 4.370 50 0 HIAAHN COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3ccc(CO)o3)C2)cc1Cl ZINC000011661390 845822977 /nfs/dbraw/zinc/82/29/77/845822977.db2.gz CGTIOFLRJCELMF-OAHLLOKOSA-N 0 3 406.910 4.065 50 0 HIAAHN O=C(NC[C@@H]1CCC2(CCN(Cc3ccccn3)CC2)O1)c1ccc2ccccc2c1 ZINC000011790492 845833500 /nfs/dbraw/zinc/83/35/00/845833500.db2.gz QXNGCQRFTNGPCD-DEOSSOPVSA-N 0 3 415.537 4.178 50 0 HIAAHN c1ccc2c(c1)nc([C@@H]1CCCO1)n2C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000011789771 845833687 /nfs/dbraw/zinc/83/36/87/845833687.db2.gz XEBSDNYAZSSWPM-QHCPKHFHSA-N 0 3 419.525 4.496 50 0 HIAAHN CCOC(=O)N1CCC(N2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000011844414 845838274 /nfs/dbraw/zinc/83/82/74/845838274.db2.gz XJOSBRGTBLUHIL-INIZCTEOSA-N 0 3 412.452 4.221 50 0 HIAAHN CCOc1cc(/C=C/C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc(Cl)c1OC ZINC000012779934 845890146 /nfs/dbraw/zinc/89/01/46/845890146.db2.gz RUGOOWPJVXVQAJ-JBVUFVISSA-N 0 3 414.933 4.151 50 0 HIAAHN COc1ccccc1CN1C[C@@H]2C[C@@H](c3cccc(SC)c3)N3CCC[C@@]23C1=O ZINC000015069927 846005409 /nfs/dbraw/zinc/00/54/09/846005409.db2.gz DGVXIECPTZCMEZ-PTLVVNQVSA-N 0 3 408.567 4.355 50 0 HIAAHN COc1cc(C=Cc2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)ccc1OCc1ccc(F)cc1 ZINC000328595787 855422751 /nfs/dbraw/zinc/42/27/51/855422751.db2.gz FCLVURASBONJJV-UXBLZVDNSA-N 0 3 421.472 4.067 50 0 HIAAHN COc1cc(C=Cc2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)ccc1OCc1ccc(F)cc1 ZINC000328595787 855422758 /nfs/dbraw/zinc/42/27/58/855422758.db2.gz FCLVURASBONJJV-UXBLZVDNSA-N 0 3 421.472 4.067 50 0 HIAAHN CC(C)Oc1c(Br)cc(CNC[C@@H]2CCCO2)cc1Br ZINC000040730490 519777550 /nfs/dbraw/zinc/77/75/50/519777550.db2.gz PQEWPKZPVOBXBG-LBPRGKRZSA-N 0 3 407.146 4.267 50 0 HIAAHN COc1cc(CNCCCCO)cc(Br)c1OCc1ccccc1F ZINC000040720994 522446344 /nfs/dbraw/zinc/44/63/44/522446344.db2.gz DYLBPRMIRLMUGN-UHFFFAOYSA-N 0 3 412.299 4.038 50 0 HIAAHN CCc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(OC)cc3)on2)N2CCCC2)cc1 ZINC000032623076 524029450 /nfs/dbraw/zinc/02/94/50/524029450.db2.gz FRUBQIJOZHANBL-HSZRJFAPSA-N 0 3 419.525 4.480 50 0 HIAAHN Cc1cccc(COc2ccc3ccccc3c2CNCCSc2nnnn2C)c1 ZINC000040744729 524448709 /nfs/dbraw/zinc/44/87/09/524448709.db2.gz MVSIHJHKKDPFTB-UHFFFAOYSA-N 0 3 419.554 4.133 50 0 HIAAHN Cc1nc2scc(-c3ccccc3)c2c(NC[C@@H](C(C)C)N2CCN(C)CC2)n1 ZINC000032760684 527208686 /nfs/dbraw/zinc/20/86/86/527208686.db2.gz WHRYQALWSUFTJV-FQEVSTJZSA-N 0 3 409.603 4.351 50 0 HIAAHN Fc1ccc(CN2CCC3(C[C@H]3c3nnc4n3CCCCC4)CC2)c2ncccc12 ZINC000071890599 557318152 /nfs/dbraw/zinc/31/81/52/557318152.db2.gz UISIRGRGLNSNDE-IBGZPJMESA-N 0 3 405.521 4.462 50 0 HIAAHN CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Cl)c1 ZINC000002419928 557346138 /nfs/dbraw/zinc/34/61/38/557346138.db2.gz KMSHCEISXOGTJK-FQEVSTJZSA-N 0 3 410.901 4.333 50 0 HIAAHN Cc1ccc(N(C2CCN(CC(C)C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000034683787 557386843 /nfs/dbraw/zinc/38/68/43/557386843.db2.gz SRZLGDVDYQWVML-UHFFFAOYSA-N 0 3 404.551 4.450 50 0 HIAAHN CCOc1cc(CNC23CC4CC(CC(C4)C2)C3)c(Br)cc1OCCO ZINC000004820717 557602732 /nfs/dbraw/zinc/60/27/32/557602732.db2.gz IQMISMLYDKQPKX-UHFFFAOYSA-N 0 3 424.379 4.277 50 0 HIAAHN O=C1C[C@@H](NCCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1cccc2ccccc21 ZINC000005274589 557642918 /nfs/dbraw/zinc/64/29/18/557642918.db2.gz RYLDHEMBDUBCAH-OAQYLSRUSA-N 0 3 417.896 4.439 50 0 HIAAHN Fc1ccc(-c2ccc(CNCCCSc3nnnn3-c3ccccc3)o2)cc1 ZINC000009249998 557832607 /nfs/dbraw/zinc/83/26/07/557832607.db2.gz ZVTWPIVPENDXBC-UHFFFAOYSA-N 0 3 409.490 4.333 50 0 HIAAHN COc1ccc(CN2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c(F)c1 ZINC000019720778 558258962 /nfs/dbraw/zinc/25/89/62/558258962.db2.gz BLDSWPNZLHUZGC-NRFANRHFSA-N 0 3 417.956 4.274 50 0 HIAAHN Cc1cc(C(=O)NC[C@@H]2CCCN(Cc3ccc4c(c3)Cc3ccccc3-4)C2)no1 ZINC000011662753 558266509 /nfs/dbraw/zinc/26/65/09/558266509.db2.gz MWNIOYOIDADZJL-IBGZPJMESA-N 0 3 401.510 4.196 50 0 HIAAHN O=C(NC[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1)c1n[nH]c2ccccc21 ZINC000011663754 558267352 /nfs/dbraw/zinc/26/73/52/558267352.db2.gz MKSSYFOBQTUJBI-INIZCTEOSA-N 0 3 416.447 4.224 50 0 HIAAHN Cc1ccc(C[C@@H](C)N2CCC(Oc3cccc(C(=O)N4CCCC4)c3)CC2)nc1 ZINC000011820586 558283982 /nfs/dbraw/zinc/28/39/82/558283982.db2.gz WIWNODXGXWYMTG-HXUWFJFHSA-N 0 3 407.558 4.100 50 0 HIAAHN Cc1cccc(CN2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)n1 ZINC000011936997 558300703 /nfs/dbraw/zinc/30/07/03/558300703.db2.gz VDPXFYDCFDINBZ-IBGZPJMESA-N 0 3 402.498 4.428 50 0 HIAAHN CCOc1cc(CN2CCC3(C[C@@H]3C(=O)NCCc3ccccc3)CC2)ccc1OC ZINC000011978328 558305855 /nfs/dbraw/zinc/30/58/55/558305855.db2.gz YTCGFGCZKBSRRM-JOCHJYFZSA-N 0 3 422.569 4.055 50 0 HIAAHN COc1ccccc1N1CCN([C@H]2CCCN(Cc3cccc(SC)c3)C2)CC1 ZINC000020453742 558367786 /nfs/dbraw/zinc/36/77/86/558367786.db2.gz CVCYPUKNJZMMPV-NRFANRHFSA-N 0 3 411.615 4.204 50 0 HIAAHN CC(=O)NC[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)C1 ZINC000012300117 558370091 /nfs/dbraw/zinc/37/00/91/558370091.db2.gz PHUXNENBROMIGZ-FQEVSTJZSA-N 0 3 408.590 4.483 50 0 HIAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1ccnc(Cl)c1 ZINC000012303438 558373115 /nfs/dbraw/zinc/37/31/15/558373115.db2.gz RFVMNANEWSIVAU-GOSISDBHSA-N 0 3 403.929 4.291 50 0 HIAAHN COc1ccccc1/C=C/CN1CCC[C@@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000012306045 558374974 /nfs/dbraw/zinc/37/49/74/558374974.db2.gz LBNYBVCBFIWGGN-HXRGIAOBSA-N 0 3 416.525 4.449 50 0 HIAAHN O=C(CCC1CCN(Cc2ccccc2C(F)(F)F)CC1)NCc1cccnc1 ZINC000012320435 558382266 /nfs/dbraw/zinc/38/22/66/558382266.db2.gz MYYGPYCEKSSIOG-UHFFFAOYSA-N 0 3 405.464 4.409 50 0 HIAAHN COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2ccc(C)cc2)CC1 ZINC000012429977 558404663 /nfs/dbraw/zinc/40/46/63/558404663.db2.gz VTKHTYFOGOPLTF-UHFFFAOYSA-N 0 3 404.514 4.290 50 0 HIAAHN CCCOc1ccc(Cl)cc1CNCCCSc1nnnn1-c1ccccc1 ZINC000020928979 558423986 /nfs/dbraw/zinc/42/39/86/558423986.db2.gz JHRFTZHZJZLMGR-UHFFFAOYSA-N 0 3 417.966 4.377 50 0 HIAAHN OCC1(Cc2ccccc2C(F)(F)F)CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000012583400 558433332 /nfs/dbraw/zinc/43/33/32/558433332.db2.gz WOKMRLYMNLLOEE-UHFFFAOYSA-N 0 3 405.460 4.458 50 0 HIAAHN CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1cnc2ccccc2c1 ZINC000012587804 558434685 /nfs/dbraw/zinc/43/46/85/558434685.db2.gz QHOHUAXLELBICQ-IBGZPJMESA-N 0 3 405.517 4.401 50 0 HIAAHN COC[C@@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000012612469 558438937 /nfs/dbraw/zinc/43/89/37/558438937.db2.gz STTGWNAQDZKDBQ-GOSISDBHSA-N 0 3 405.498 4.126 50 0 HIAAHN Cn1cc(CN2CCC(N3CCOCC3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012708778 558451001 /nfs/dbraw/zinc/45/10/01/558451001.db2.gz IUHJIPKODVBSJB-UHFFFAOYSA-N 0 3 422.617 4.431 50 0 HIAAHN COc1ccccc1[C@@H](CNCc1cc(Cl)c2c(c1)OCCO2)N1CCCC1 ZINC000022015888 558458049 /nfs/dbraw/zinc/45/80/49/558458049.db2.gz FSCALMYQHHJPIZ-LJQANCHMSA-N 0 3 402.922 4.047 50 0 HIAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)Cc1cccc(Cl)c1 ZINC000012750808 558459127 /nfs/dbraw/zinc/45/91/27/558459127.db2.gz AQNJOSBAVSEKAF-UHFFFAOYSA-N 0 3 402.941 4.435 50 0 HIAAHN COc1ccc(-c2n[nH]cc2CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1F ZINC000023337918 558549997 /nfs/dbraw/zinc/54/99/97/558549997.db2.gz PNPHCEPLWAYZRA-MRXNPFEDSA-N 0 3 405.477 4.480 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)c(F)c3)[C@H]2C(=O)N1c1ccccc1 ZINC000013811230 558595859 /nfs/dbraw/zinc/59/58/59/558595859.db2.gz SCLQDEBYMGJAFU-QHAWAJNXSA-N 0 3 406.388 4.016 50 0 HIAAHN Cc1ccc(-c2nc(CC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cs2)c(C)c1 ZINC000024836927 558616181 /nfs/dbraw/zinc/61/61/81/558616181.db2.gz DNXYMLSENASXKH-HXUWFJFHSA-N 0 3 405.567 4.360 50 0 HIAAHN CC(C)(CNC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)N1CCCCC1 ZINC000014185802 558630752 /nfs/dbraw/zinc/63/07/52/558630752.db2.gz DNMCLKVOCQIZFF-UHFFFAOYSA-N 0 3 421.585 4.073 50 0 HIAAHN C[C@@H](COc1ccccc1)N1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000014948064 558680021 /nfs/dbraw/zinc/68/00/21/558680021.db2.gz AWKWTSKRVARGSD-FQEVSTJZSA-N 0 3 408.542 4.233 50 0 HIAAHN Cc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)N2CCCC2)cc1 ZINC000027989307 558687741 /nfs/dbraw/zinc/68/77/41/558687741.db2.gz NJFLDTXRRUMFSG-HXUWFJFHSA-N 0 3 417.347 4.090 50 0 HIAAHN COc1ccc(OC)c2nc(N3CCCC3)c(CNCCc3ccccc3F)cc12 ZINC000014979860 558690950 /nfs/dbraw/zinc/69/09/50/558690950.db2.gz FCHUQTJHHZEQJO-UHFFFAOYSA-N 0 3 409.505 4.324 50 0 HIAAHN CCN1CCN(C2(CNC(=O)c3oc4cc(C)cc(C)c4c3C)CCCCC2)CC1 ZINC000028290659 558696860 /nfs/dbraw/zinc/69/68/60/558696860.db2.gz GUPXDIMOBVVMMQ-UHFFFAOYSA-N 0 3 411.590 4.428 50 0 HIAAHN CCN1CCN(C2(CNC(=O)c3oc4ccc(Cl)cc4c3C)CCCCC2)CC1 ZINC000028293571 558698560 /nfs/dbraw/zinc/69/85/60/558698560.db2.gz YVGMCGLYENQMHR-UHFFFAOYSA-N 0 3 417.981 4.465 50 0 HIAAHN C[C@@H](CN1C(=O)CC[C@H]1CCNCc1cc2c(cc1Cl)OCO2)c1ccccc1 ZINC000015070482 558712408 /nfs/dbraw/zinc/71/24/08/558712408.db2.gz SNLCVLMNGCGOKF-LPHOPBHVSA-N 0 3 414.933 4.343 50 0 HIAAHN COc1cc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c(OC)cc1Cl ZINC000072294164 558738586 /nfs/dbraw/zinc/73/85/86/558738586.db2.gz WOBRXMGDTGSBIN-MRXNPFEDSA-N 0 3 417.937 4.486 50 0 HIAAHN COc1cc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c(OC)cc1Cl ZINC000072294165 558738614 /nfs/dbraw/zinc/73/86/14/558738614.db2.gz WOBRXMGDTGSBIN-INIZCTEOSA-N 0 3 417.937 4.486 50 0 HIAAHN CCOc1cc(CN2CCCCC[C@H]2c2ccc(C)s2)ccc1OCC(N)=O ZINC000033087233 558760549 /nfs/dbraw/zinc/76/05/49/558760549.db2.gz KJQDTPNEYHOOIE-SFHVURJKSA-N 0 3 402.560 4.437 50 0 HIAAHN CN(Cc1ccc2c(c1)OCCO2)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000033015063 558834391 /nfs/dbraw/zinc/83/43/91/558834391.db2.gz XGXAWKQKLFEYCX-QHCPKHFHSA-N 0 3 419.521 4.057 50 0 HIAAHN CCCN1CCN(c2ncnc3sc(C(=O)Nc4cccc(CC)c4)c(C)c32)CC1 ZINC000033048407 558885780 /nfs/dbraw/zinc/88/57/80/558885780.db2.gz QPISALZFDABMED-UHFFFAOYSA-N 0 3 423.586 4.346 50 0 HIAAHN Cc1c(C(=O)N2CCC[C@H]2[C@H]2CCCN2Cc2ccccc2)[nH]c2c1C(=O)CCC2 ZINC000065576172 558979504 /nfs/dbraw/zinc/97/95/04/558979504.db2.gz PNZHAWYWOLWYAC-RTWAWAEBSA-N 0 3 405.542 4.111 50 0 HIAAHN CCN1CCN(Cc2cc3ccc(C)cc3nc2-c2ccc(OC)c(OC)c2)CC1 ZINC000072447510 558982663 /nfs/dbraw/zinc/98/26/63/558982663.db2.gz HXXJHEMTPJAMLR-UHFFFAOYSA-N 0 3 405.542 4.365 50 0 HIAAHN OC[C@H]1CCCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072474212 558983512 /nfs/dbraw/zinc/98/35/12/558983512.db2.gz UXWKNKHSFQMOHY-HNNXBMFYSA-N 0 3 410.901 4.488 50 0 HIAAHN COc1ccc2cc3cc(C(=O)NCCN(C)Cc4ccccc4)sc3nc2c1 ZINC000004900168 559199316 /nfs/dbraw/zinc/19/93/16/559199316.db2.gz HNTNTNFDFALUPJ-UHFFFAOYSA-N 0 3 405.523 4.320 50 0 HIAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(OC)c(OC)c3)=NN12 ZINC000005092104 559243859 /nfs/dbraw/zinc/24/38/59/559243859.db2.gz ZATXLCPZSKSJCW-OAQYLSRUSA-N 0 3 421.541 4.449 50 0 HIAAHN CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000005093747 559244431 /nfs/dbraw/zinc/24/44/31/559244431.db2.gz KANUWOBNLCKHGV-JOCHJYFZSA-N 0 3 421.541 4.449 50 0 HIAAHN COc1ccc(CC2(CO)CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000011839707 559261511 /nfs/dbraw/zinc/26/15/11/559261511.db2.gz KMJAOIQANQPJDX-UHFFFAOYSA-N 0 3 409.448 4.411 50 0 HIAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000102690785 560819927 /nfs/dbraw/zinc/81/99/27/560819927.db2.gz AXIORQHCBDQORL-FDFHNCONSA-N 0 3 418.449 4.120 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4F)[C@@H]3C2=O)cc1 ZINC000102763163 560824986 /nfs/dbraw/zinc/82/49/86/560824986.db2.gz RPNKTIDKSYHAFW-FDFHNCONSA-N 0 3 402.425 4.185 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(F)c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102762231 560826304 /nfs/dbraw/zinc/82/63/04/560826304.db2.gz PFUFINGZQLOXFT-PCCBWWKXSA-N 0 3 406.388 4.016 50 0 HIAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@H]3C2=O)cc1 ZINC000102761595 560826345 /nfs/dbraw/zinc/82/63/45/560826345.db2.gz FSJBFYBIIHAIFO-XPWALMASSA-N 0 3 414.461 4.055 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccccc1 ZINC000103082369 560837701 /nfs/dbraw/zinc/83/77/01/560837701.db2.gz UZEJVECWEUQYJT-PWRODBHTSA-N 0 3 404.853 4.391 50 0 HIAAHN Cc1ccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)C[C@@H]2CCCO2)c(C)c1 ZINC000105750451 560877359 /nfs/dbraw/zinc/87/73/59/560877359.db2.gz KMJNBVKULZSWQF-GGAORHGYSA-N 0 3 403.950 4.378 50 0 HIAAHN CCN(CC)[C@H](CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1ccsc1 ZINC000048332232 568439980 /nfs/dbraw/zinc/43/99/80/568439980.db2.gz OPCZHKOLCNRFFK-HXUWFJFHSA-N 0 3 414.575 4.189 50 0 HIAAHN CCOC(=O)/C=C/c1ccc(NC(=O)N2CCCN(Cc3ccccc3C)CC2)cc1 ZINC000048346111 568440991 /nfs/dbraw/zinc/44/09/91/568440991.db2.gz JHTFITXLDZPVDA-SDNWHVSQSA-N 0 3 421.541 4.311 50 0 HIAAHN CN(C)[C@H](CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)Cc1ccccc1 ZINC000049574072 568452190 /nfs/dbraw/zinc/45/21/90/568452190.db2.gz WLGVHNBXQKWPIS-QFIPXVFZSA-N 0 3 415.537 4.091 50 0 HIAAHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)C1 ZINC000222058349 568513956 /nfs/dbraw/zinc/51/39/56/568513956.db2.gz ITDHDBLCBYQMEP-OXJNMPFZSA-N 0 3 414.937 4.262 50 0 HIAAHN CCOc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCCCC2)cc1 ZINC000021098336 568665967 /nfs/dbraw/zinc/66/59/67/568665967.db2.gz SKBOWHGJCLLDQF-XMMPIXPASA-N 0 3 422.525 4.478 50 0 aggregator HIAAHN CN(C)[C@H](CNCc1cc(Br)c2c(c1)OCCCO2)c1ccsc1 ZINC000095956251 568669256 /nfs/dbraw/zinc/66/92/56/568669256.db2.gz IIOSTMZKDHDHRH-MRXNPFEDSA-N 0 3 411.365 4.064 50 0 HIAAHN C[C@@H]1CCCCN1CCNC(=O)CSc1ncnc2c1sc1cccc(F)c12 ZINC000021153444 568672726 /nfs/dbraw/zinc/67/27/26/568672726.db2.gz PWRMGHUYTDUMMX-CYBMUJFWSA-N 0 3 418.563 4.066 50 0 HIAAHN C[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)N1C[C@H](C)C[C@@H](C)C1 ZINC000227156223 568699882 /nfs/dbraw/zinc/69/98/82/568699882.db2.gz TXXYCCYHVIPQLF-RBSFLKMASA-N 0 3 420.351 4.200 50 0 HIAAHN Cc1cccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCN(CC(C)C)CC2)c1 ZINC000096281077 568718430 /nfs/dbraw/zinc/71/84/30/568718430.db2.gz CDISEDSQBBZPCK-UHFFFAOYSA-N 0 3 404.551 4.450 50 0 HIAAHN OCCCCCNCc1nn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1 ZINC000247762670 568745575 /nfs/dbraw/zinc/74/55/75/568745575.db2.gz IGTYWNAZLAAOOR-UHFFFAOYSA-N 0 3 402.901 4.038 50 0 HIAAHN O=C([O-])CC[C@H]1CN(CC(c2ccccc2)c2ccccc2)CC[C@H]1[NH+]1CCCC1 ZINC000299769418 568873990 /nfs/dbraw/zinc/87/39/90/568873990.db2.gz NHIPJVMYFKHQJW-UKILVPOCSA-N 0 3 406.570 4.470 50 0 HIAAHN O=C([O-])CC[C@H]1C[N@H+](CC(c2ccccc2)c2ccccc2)CC[C@H]1N1CCCC1 ZINC000299769418 568873992 /nfs/dbraw/zinc/87/39/92/568873992.db2.gz NHIPJVMYFKHQJW-UKILVPOCSA-N 0 3 406.570 4.470 50 0 HIAAHN O=C([O-])CC[C@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CC[C@H]1N1CCCC1 ZINC000299769418 568873994 /nfs/dbraw/zinc/87/39/94/568873994.db2.gz NHIPJVMYFKHQJW-UKILVPOCSA-N 0 3 406.570 4.470 50 0 HIAAHN COc1ccc(CCN2C(=O)CC[C@@H]3CN(Cc4ccccc4Cl)CC[C@@H]32)cc1 ZINC000299790532 568875773 /nfs/dbraw/zinc/87/57/73/568875773.db2.gz CKXBRDCABBYHJK-OFNKIYASSA-N 0 3 412.961 4.404 50 0 HIAAHN Cc1cc(NC(=O)N(CCN(C)C)Cc2ccccc2)ccc1NC(=O)c1ccco1 ZINC000058018746 568876787 /nfs/dbraw/zinc/87/67/87/568876787.db2.gz SQPKLOJJTBKBBH-UHFFFAOYSA-N 0 3 420.513 4.436 50 0 HIAAHN Cc1nc(-c2cccnc2)ncc1C(=O)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000670437074 568877524 /nfs/dbraw/zinc/87/75/24/568877524.db2.gz VVTRYXCZMJLDRF-HSZRJFAPSA-N 0 3 415.541 4.194 50 0 HIAAHN COCc1ccc(CN2CC[C@@]3(C2)CCCN(Cc2cc(OC)ccc2F)C3)o1 ZINC000012717702 568917952 /nfs/dbraw/zinc/91/79/52/568917952.db2.gz QXCIKMVXTWVPKI-QHCPKHFHSA-N 0 3 402.510 4.062 50 0 HIAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2ccc(CN3CCC(C)CC3)o2)C1 ZINC000670455446 568930763 /nfs/dbraw/zinc/93/07/63/568930763.db2.gz WBVTWGCWNFSJLJ-OAQYLSRUSA-N 0 3 409.574 4.039 50 0 HIAAHN Cc1ccc(-c2cnc(CCC(=O)N[C@H]3CCN(Cc4ccccc4)C3)o2)cc1C ZINC000012756252 568943049 /nfs/dbraw/zinc/94/30/49/568943049.db2.gz CLVGGEUWQXLGOJ-QFIPXVFZSA-N 0 3 403.526 4.282 50 0 HIAAHN O=C(NCc1ccc(CN2CCCCCC2)o1)c1noc2c1CCc1sccc1-2 ZINC000015733308 568983024 /nfs/dbraw/zinc/98/30/24/568983024.db2.gz DZMABGBPQSJZOE-UHFFFAOYSA-N 0 3 411.527 4.401 50 0 HIAAHN Cc1ncc(CN2CCCC2)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000085876610 569009623 /nfs/dbraw/zinc/00/96/23/569009623.db2.gz MXWXWCPPOPEUPD-UHFFFAOYSA-N 0 3 404.422 4.234 50 0 HIAAHN CCN(CCC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1COc2ccccc2O1 ZINC000012859938 569011536 /nfs/dbraw/zinc/01/15/36/569011536.db2.gz IQBOCSPNFSEFAP-AWEZNQCLSA-N 0 3 409.313 4.484 50 0 HIAAHN CCOc1ccc(OC[C@H](O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000016044488 569028256 /nfs/dbraw/zinc/02/82/56/569028256.db2.gz NJKHRSJAFYFJLP-QZTJIDSGSA-N 0 3 412.555 4.314 50 0 HIAAHN c1ccc(-c2nc3nc4c(c(N5CCN(C6CCCCC6)CC5)n3n2)CCCC4)cc1 ZINC000035508907 569041067 /nfs/dbraw/zinc/04/10/67/569041067.db2.gz OHKJTUVSDCBSAV-UHFFFAOYSA-N 0 3 416.573 4.125 50 0 HIAAHN O=C(CN[C@H](c1cccs1)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000012980726 569046361 /nfs/dbraw/zinc/04/63/61/569046361.db2.gz GYLAMDLZXUIPRA-VWLOTQADSA-N 0 3 419.594 4.208 50 0 HIAAHN Cc1ccc(C)c(CN(Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccco2)c1 ZINC000036031957 569081090 /nfs/dbraw/zinc/08/10/90/569081090.db2.gz SMJFJQIWZAJRBF-JOCHJYFZSA-N 0 3 423.509 4.205 50 0 HIAAHN Cc1cccc(OCc2nc(CN(CCN(C)C)C(=O)CC(C)C)cs2)c1C ZINC000036114299 569093896 /nfs/dbraw/zinc/09/38/96/569093896.db2.gz XEYPUHRMCONQTI-UHFFFAOYSA-N 0 3 403.592 4.275 50 0 HIAAHN Cc1ccc2[nH]c3c(ncn(CCN4CCC(Cc5ccccc5)CC4)c3=O)c2c1 ZINC000006809318 569132876 /nfs/dbraw/zinc/13/28/76/569132876.db2.gz VGPUSPKDCCQTHI-UHFFFAOYSA-N 0 3 400.526 4.141 50 0 HIAAHN COc1ccc(OC)c(NC(=O)N2CCC[C@H](CN3CCc4ccccc4C3)C2)c1 ZINC000006877387 569164202 /nfs/dbraw/zinc/16/42/02/569164202.db2.gz WFLHNEZRPVAMFL-GOSISDBHSA-N 0 3 409.530 4.006 50 0 HIAAHN O=C(Nc1ccc(F)cc1)c1ccc(N2CC[C@H](NCc3ccc(Cl)cc3)C2)nc1 ZINC000065257010 569208532 /nfs/dbraw/zinc/20/85/32/569208532.db2.gz CADYKTHMTSGWRW-NRFANRHFSA-N 0 3 424.907 4.495 50 0 HIAAHN COc1ccc([C@@H](NCCCn2cccn2)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606808 569244772 /nfs/dbraw/zinc/24/47/72/569244772.db2.gz QOUREQAGFOXTLT-NHCUHLMSSA-N 0 3 414.550 4.012 50 0 HIAAHN Cc1ccc(CCC(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000089632220 569261445 /nfs/dbraw/zinc/26/14/45/569261445.db2.gz MDCQVXAQPJGPDK-UHFFFAOYSA-N 0 3 400.950 4.241 50 0 HIAAHN Cc1cccc(-c2nc(NCCN3CCCCC3)nc3nn(C(C)(C)C)c(N)c32)c1 ZINC000037361312 569283550 /nfs/dbraw/zinc/28/35/50/569283550.db2.gz UYYRKUCWAFZVAL-UHFFFAOYSA-N 0 3 407.566 4.037 50 0 HIAAHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Br)c(F)c1 ZINC000065938432 569304307 /nfs/dbraw/zinc/30/43/07/569304307.db2.gz BAANTSQYBQDITJ-UHFFFAOYSA-N 0 3 415.253 4.070 50 0 HIAAHN O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2ccccc2F)N1c1nncs1 ZINC000002400778 569395471 /nfs/dbraw/zinc/39/54/71/569395471.db2.gz NNOHKZQZNGTWEV-HNNXBMFYSA-N 0 3 413.817 4.187 50 0 HIAAHN O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 ZINC000012431041 569401367 /nfs/dbraw/zinc/40/13/67/569401367.db2.gz OBXAQYFZXPBRKV-QFIPXVFZSA-N 0 3 420.553 4.017 50 0 HIAAHN C[C@H]1CN(C2CCN(c3ncnc4sc(-c5ccccc5)cc43)CC2)C[C@H](C)O1 ZINC000040135262 571188342 /nfs/dbraw/zinc/18/83/42/571188342.db2.gz YOLYATPFCWUWJN-IRXDYDNUSA-N 0 3 408.571 4.436 50 0 HIAAHN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)NC[C@H](C)N1CCCCC1 ZINC000040156941 571203680 /nfs/dbraw/zinc/20/36/80/571203680.db2.gz YFEPZFCGTISYNO-INIZCTEOSA-N 0 3 411.575 4.345 50 0 HIAAHN O=C(C1COc2ccccc2O1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 ZINC000010187643 571296103 /nfs/dbraw/zinc/29/61/03/571296103.db2.gz NBBUQMCGQJWHLX-IBGZPJMESA-N 0 3 421.453 4.204 50 0 HIAAHN COc1ccc([C@@H](CNC(=O)/C=C/c2ccc3cc(OC)ccc3c2)N(C)C)cc1 ZINC000014934869 845993297 /nfs/dbraw/zinc/99/32/97/845993297.db2.gz RJHOJJMRZQFZEO-ALFZTAOFSA-N 0 3 404.510 4.289 50 0 HIAAHN COc1ccc([C@H](CNC(=O)/C=C/c2ccc3cc(OC)ccc3c2)N(C)C)cc1 ZINC000014934871 845993726 /nfs/dbraw/zinc/99/37/26/845993726.db2.gz RJHOJJMRZQFZEO-YVTXKPHZSA-N 0 3 404.510 4.289 50 0 HIAAHN COCCNC(=O)c1cccc(OC2CCN(Cc3cc4ccccc4s3)CC2)c1 ZINC000055270910 849994174 /nfs/dbraw/zinc/99/41/74/849994174.db2.gz BLQKMGLWXHZXKO-UHFFFAOYSA-N 0 3 424.566 4.321 50 0 HIAAHN CCOc1cc(CNCCO)cc(Br)c1OCc1cccc(Cl)c1 ZINC000040741701 520714654 /nfs/dbraw/zinc/71/46/54/520714654.db2.gz BWHDLJUAFGUXFF-UHFFFAOYSA-N 0 3 414.727 4.162 50 0 HIAAHN CCOc1cc(CNCCOCCO)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040737640 520716673 /nfs/dbraw/zinc/71/66/73/520716673.db2.gz ZOODBGJHUKWLGU-UHFFFAOYSA-N 0 3 414.329 4.070 50 0 HIAAHN CCCN(Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@H](O)COCC(C)C ZINC000036246072 521679398 /nfs/dbraw/zinc/67/93/98/521679398.db2.gz BOBRIFFJDGOPAV-NRFANRHFSA-N 0 3 417.594 4.433 50 0 HIAAHN CC[C@H](CO)NCc1cc(Br)c(OCc2cccc(C)c2)c(OC)c1 ZINC000040733244 522228283 /nfs/dbraw/zinc/22/82/83/522228283.db2.gz LQAFUIQCUDKECM-QGZVFWFLSA-N 0 3 408.336 4.206 50 0 HIAAHN CC[C@@H](CO)NCc1cc(Br)c(OCc2cccc(C)c2)c(OC)c1 ZINC000040733241 522573462 /nfs/dbraw/zinc/57/34/62/522573462.db2.gz LQAFUIQCUDKECM-KRWDZBQOSA-N 0 3 408.336 4.206 50 0 HIAAHN Cc1ccc(NC(=O)COc2ccc3ccccc3c2CNC[C@H]2CCCO2)cc1 ZINC000040736277 525071047 /nfs/dbraw/zinc/07/10/47/525071047.db2.gz BJGIXAQKEGPJIN-OAQYLSRUSA-N 0 3 404.510 4.434 50 0 HIAAHN Cc1ccc(-c2csc3c2nc(N2CCN(C4CCCCC4)CC2)[nH]c3=O)cc1 ZINC000044167973 525784243 /nfs/dbraw/zinc/78/42/43/525784243.db2.gz SZTBOYGEOJZOKI-UHFFFAOYSA-N 0 3 408.571 4.415 50 0 HIAAHN O=C(NCc1ccco1)[C@H]1C[C@H](c2ccccc2)CN(Cc2ccc(F)c(F)c2)C1 ZINC000034711117 557390402 /nfs/dbraw/zinc/39/04/02/557390402.db2.gz TYWRGVINWJOEPF-PMACEKPBSA-N 0 3 410.464 4.480 50 0 HIAAHN COc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000004657451 557576888 /nfs/dbraw/zinc/57/68/88/557576888.db2.gz XGHDTURFPLBVDB-HNNXBMFYSA-N 0 3 404.938 4.493 50 0 HIAAHN CCN(CC)CCn1c2c(c(=S)nc1-c1ccc(OC)cc1)COC(C)(C)C2 ZINC000005066801 557633792 /nfs/dbraw/zinc/63/37/92/557633792.db2.gz ACVIQCPZKZKQFQ-UHFFFAOYSA-N 0 3 401.576 4.481 50 0 HIAAHN Cc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)o1 ZINC000002704775 557743468 /nfs/dbraw/zinc/74/34/68/557743468.db2.gz DGZPTRRDZBCQKW-INIZCTEOSA-N 0 3 407.451 4.419 50 0 HIAAHN c1csc(COc2ccc(CNCCSc3nnnn3-c3ccccc3)cc2)c1 ZINC000009249995 557832655 /nfs/dbraw/zinc/83/26/55/557832655.db2.gz CQRPYYLGCCLURD-UHFFFAOYSA-N 0 3 423.567 4.185 50 0 HIAAHN COc1cc(Br)cc(CNC[C@H]2CCCO2)c1OCc1ccccc1 ZINC000010474456 558258036 /nfs/dbraw/zinc/25/80/36/558258036.db2.gz LEYNOHJYLOXCNZ-GOSISDBHSA-N 0 3 406.320 4.305 50 0 HIAAHN Cc1cc(C)n(-c2cccc(CN3CCC[C@](CO)(Cc4ccccc4F)C3)c2)n1 ZINC000011662313 558266120 /nfs/dbraw/zinc/26/61/20/558266120.db2.gz XLZAPNQYJWIMQQ-VWLOTQADSA-N 0 3 407.533 4.445 50 0 HIAAHN O=C(CCC1CCN(Cc2cnn(-c3ccccc3Cl)c2)CC1)N1CCCC1 ZINC000011771587 558274553 /nfs/dbraw/zinc/27/45/53/558274553.db2.gz KIHQRCHNDSQMQB-UHFFFAOYSA-N 0 3 400.954 4.140 50 0 HIAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccnc(Cl)c1 ZINC000011815288 558279220 /nfs/dbraw/zinc/27/92/20/558279220.db2.gz SBPWWRPJPSACHJ-IBGZPJMESA-N 0 3 415.965 4.160 50 0 HIAAHN COc1ccccc1/C=C/CN1CC[C@H]2[C@H](CCC(=O)N2CCc2ccccc2F)C1 ZINC000011882437 558295577 /nfs/dbraw/zinc/29/55/77/558295577.db2.gz IQUOFMUJAHJAHA-CSPIVVFSSA-N 0 3 422.544 4.403 50 0 HIAAHN Cc1ccc(CN(C)Cc2ccc(OC[C@@H](O)CN(C)Cc3ccccc3)cc2)o1 ZINC000011997743 558307288 /nfs/dbraw/zinc/30/72/88/558307288.db2.gz MRVWJWWZOXIDKV-QHCPKHFHSA-N 0 3 408.542 4.092 50 0 HIAAHN CN(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCCc1ccccc1F ZINC000011998054 558307429 /nfs/dbraw/zinc/30/74/29/558307429.db2.gz VJIQGOCNVZPEKW-UHFFFAOYSA-N 0 3 406.501 4.292 50 0 HIAAHN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3ccc(C)s3)C2)c(OC)c1 ZINC000012075819 558319648 /nfs/dbraw/zinc/31/96/48/558319648.db2.gz SOJOPWMDDILMFU-SFHVURJKSA-N 0 3 416.587 4.382 50 0 HIAAHN O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN(Cc2cc3ccccc3o2)C1 ZINC000012094283 558325032 /nfs/dbraw/zinc/32/50/32/558325032.db2.gz DCVMZPXGAFINKE-IBGZPJMESA-N 0 3 400.482 4.469 50 0 HIAAHN CC(=O)NC[C@@H]1CCC2(CCN(Cc3ccc(-c4cccc(Cl)c4)o3)CC2)O1 ZINC000012126578 558331344 /nfs/dbraw/zinc/33/13/44/558331344.db2.gz GIYLTOOZMOUNFM-IBGZPJMESA-N 0 3 402.922 4.250 50 0 HIAAHN CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Br)cc3)cc2)CC1 ZINC000020153984 558341851 /nfs/dbraw/zinc/34/18/51/558341851.db2.gz QBVVWCRMECNOOR-UHFFFAOYSA-N 0 3 417.351 4.231 50 0 HIAAHN CC(C)CCN(C)C(=O)C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000012303935 558373412 /nfs/dbraw/zinc/37/34/12/558373412.db2.gz ARZFVSNHGQDFRN-UHFFFAOYSA-N 0 3 412.578 4.013 50 0 HIAAHN OC[C@]1(CCOc2ccccc2)CCCN(Cc2cc(F)ccc2-n2cccn2)C1 ZINC000012386484 558395361 /nfs/dbraw/zinc/39/53/61/558395361.db2.gz BRWACGBABGOOBO-DEOSSOPVSA-N 0 3 409.505 4.055 50 0 HIAAHN CCOC(=O)C1(Cc2cccc(OC)c2)CCN([C@H](C)Cc2cc(C)ccn2)CC1 ZINC000012440347 558411446 /nfs/dbraw/zinc/41/14/46/558411446.db2.gz WXLWHVGSVLGJNR-HXUWFJFHSA-N 0 3 410.558 4.218 50 0 HIAAHN c1cncc([C@H]2CCCCN2CCc2nc3c4c5c(sc4ncn3n2)CCCC5)c1 ZINC000020841374 558417308 /nfs/dbraw/zinc/41/73/08/558417308.db2.gz NRESCKSPZJRFBF-GOSISDBHSA-N 0 3 418.570 4.383 50 0 HIAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CSc1nc(C)nc2ccccc21 ZINC000012462573 558419369 /nfs/dbraw/zinc/41/93/69/558419369.db2.gz WPRFCXGUCIRKHE-KNQAVFIVSA-N 0 3 418.566 4.173 50 0 HIAAHN CC(C)c1nc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3F)C2)cs1 ZINC000012572546 558429730 /nfs/dbraw/zinc/42/97/30/558429730.db2.gz MGADDQLAJALKOO-KRWDZBQOSA-N 0 3 403.567 4.432 50 0 HIAAHN O=C(CC[C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012712481 558453260 /nfs/dbraw/zinc/45/32/60/558453260.db2.gz MHUJYIJVELJSLS-QHCPKHFHSA-N 0 3 423.576 4.162 50 0 HIAAHN CCOc1ccc(CN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)cc1 ZINC000012714669 558454623 /nfs/dbraw/zinc/45/46/23/558454623.db2.gz VVQDWPYHHYHRPW-UHFFFAOYSA-N 0 3 418.541 4.300 50 0 HIAAHN Cc1onc(-c2ccccc2)c1C(=O)N(C)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012716769 558455643 /nfs/dbraw/zinc/45/56/43/558455643.db2.gz DSKMUGSIZQHJJH-QFIPXVFZSA-N 0 3 415.537 4.354 50 0 HIAAHN O=C(Nc1ccnn1C1CCN(Cc2ccc3c(c2)CCO3)CC1)c1cccc(F)c1 ZINC000012836288 558478213 /nfs/dbraw/zinc/47/82/13/558478213.db2.gz JUXKVIWXZGDEPB-UHFFFAOYSA-N 0 3 420.488 4.047 50 0 HIAAHN CCOc1ccccc1-c1nc(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000023076374 558533166 /nfs/dbraw/zinc/53/31/66/558533166.db2.gz HSEGYZMMIDVLQO-LJQANCHMSA-N 0 3 421.566 4.142 50 0 HIAAHN c1[nH]nc(-c2ccc3c(c2)OCO3)c1CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000023144516 558538160 /nfs/dbraw/zinc/53/81/60/558538160.db2.gz JVLZDTIQEXJJHJ-MRXNPFEDSA-N 0 3 402.454 4.326 50 0 HIAAHN Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccccc3CN3CCCCC3)c12 ZINC000014200674 558636326 /nfs/dbraw/zinc/63/63/26/558636326.db2.gz GHGDJNVUMBBXDF-UHFFFAOYSA-N 0 3 404.514 4.325 50 0 HIAAHN CC(C)(CNC(=O)c1cccc(OCc2cscn2)c1)N1CCc2ccccc2C1 ZINC000025463184 558641736 /nfs/dbraw/zinc/64/17/36/558641736.db2.gz DGGYQKSJHYKACE-UHFFFAOYSA-N 0 3 421.566 4.289 50 0 HIAAHN COc1ccc(C(=O)NC2CC2)c(OC2CCN(Cc3sccc3C)CC2)c1 ZINC000014974136 558688616 /nfs/dbraw/zinc/68/86/16/558688616.db2.gz WEISZQPLNVBXSE-UHFFFAOYSA-N 0 3 400.544 4.001 50 0 HIAAHN COc1ccccc1NC(=O)c1c(NC(=O)CNCC(C)C)sc2c1CCCC2 ZINC000004554393 558721896 /nfs/dbraw/zinc/72/18/96/558721896.db2.gz XHKFBJGEBPVFAG-UHFFFAOYSA-N 0 3 415.559 4.072 50 0 HIAAHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccccc1C(F)(F)F ZINC000030937578 558744916 /nfs/dbraw/zinc/74/49/16/558744916.db2.gz USASSEANDCNFJU-QGZVFWFLSA-N 0 3 414.387 4.134 50 0 HIAAHN COc1ccc(NC(=O)[C@@H](C)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1Cl ZINC000011094060 558759796 /nfs/dbraw/zinc/75/97/96/558759796.db2.gz PFMVTGZMBUMYRX-SZNDQCEHSA-N 0 3 418.921 4.434 50 0 HIAAHN CC(C)[C@@H](N[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C(C)(C)C)cc1 ZINC000011096402 558762304 /nfs/dbraw/zinc/76/23/04/558762304.db2.gz QLYYYJBKOQHTKP-YCRPNKLZSA-N 0 3 408.546 4.468 50 0 HIAAHN CC(C)[C@@H](N[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C(C)(C)C)cc1 ZINC000011096410 558762565 /nfs/dbraw/zinc/76/25/65/558762565.db2.gz QLYYYJBKOQHTKP-QVKFZJNVSA-N 0 3 408.546 4.468 50 0 HIAAHN COc1ccc(OCCNCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000016695389 558800817 /nfs/dbraw/zinc/80/08/17/558800817.db2.gz PQWNYNVHMXTKRM-LJQANCHMSA-N 0 3 404.510 4.208 50 0 HIAAHN CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)NCCN3CCCC3)cc21 ZINC000032986726 558806785 /nfs/dbraw/zinc/80/67/85/558806785.db2.gz ZKJNJPYLEYWENV-UHFFFAOYSA-N 0 3 403.526 4.435 50 0 HIAAHN CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000072314289 558843673 /nfs/dbraw/zinc/84/36/73/558843673.db2.gz ZCTLMEZXHBDLMD-UHFFFAOYSA-N 0 3 406.530 4.163 50 0 HIAAHN CC[C@H](C)N(CCCNC(=O)c1noc2c1COc1ccccc1-2)Cc1ccco1 ZINC000033028856 558852575 /nfs/dbraw/zinc/85/25/75/558852575.db2.gz PXFXVRFYQVVXDW-INIZCTEOSA-N 0 3 409.486 4.248 50 0 HIAAHN Cn1nc(-c2cccc(Cl)c2)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000072403291 558961784 /nfs/dbraw/zinc/96/17/84/558961784.db2.gz UKHRLVJWAQMIFE-UHFFFAOYSA-N 0 3 408.933 4.135 50 0 HIAAHN COc1ccc(-n2cc(CN(C)[C@@H]3CCN(C)C3)c(-c3ccccc3Cl)n2)cc1 ZINC000072421605 558978413 /nfs/dbraw/zinc/97/84/13/558978413.db2.gz SCJLOJJFXXNAEU-LJQANCHMSA-N 0 3 410.949 4.337 50 0 HIAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)CC2(CO)CC2)cc1F ZINC000072454063 558982891 /nfs/dbraw/zinc/98/28/91/558982891.db2.gz UQPPIBXFULSRDV-UHFFFAOYSA-N 0 3 409.505 4.200 50 0 HIAAHN Cc1cccc(CCN2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n1 ZINC000095498285 559081791 /nfs/dbraw/zinc/08/17/91/559081791.db2.gz VGCOVEAYFMKBLU-GOSISDBHSA-N 0 3 401.501 4.019 50 0 HIAAHN CN1CCC(CN(CCc2ccccc2)C(=O)c2conc2-c2ccccc2)CC1 ZINC000095500214 559082094 /nfs/dbraw/zinc/08/20/94/559082094.db2.gz NKDYICRJSMOZCJ-UHFFFAOYSA-N 0 3 403.526 4.368 50 0 HIAAHN COc1cc(CNCCCOc2ccccn2)cc(Br)c1OC(C)C ZINC000113396481 559179931 /nfs/dbraw/zinc/17/99/31/559179931.db2.gz AOSIEHIGKDGFMN-UHFFFAOYSA-N 0 3 409.324 4.199 50 0 HIAAHN COc1cc(Br)cc(CNCCc2nc3ccccc3[nH]2)c1OC(C)C ZINC000113401169 559180730 /nfs/dbraw/zinc/18/07/30/559180730.db2.gz YVCBCMGXMUGDOD-UHFFFAOYSA-N 0 3 418.335 4.454 50 0 HIAAHN O=C(c1cnc2ccc(F)cc2c1[O-])N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198693 559189855 /nfs/dbraw/zinc/18/98/55/559189855.db2.gz GGGUEYCQLIHTKW-MBKAAHDRSA-N 0 3 421.516 4.115 50 0 HIAAHN O=C(c1cnc2ccc(F)cc2c1[O-])N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198693 559189856 /nfs/dbraw/zinc/18/98/56/559189856.db2.gz GGGUEYCQLIHTKW-MBKAAHDRSA-N 0 3 421.516 4.115 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000135682037 559276385 /nfs/dbraw/zinc/27/63/85/559276385.db2.gz RHXGJHVZAGXKTP-IPMKNSEASA-N 0 3 410.882 4.453 50 0 HIAAHN COc1ccccc1N1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@@H]32)CC1 ZINC000061992863 560568800 /nfs/dbraw/zinc/56/88/00/560568800.db2.gz JYQVXEKPJQQPDT-QBIGFDGOSA-N 0 3 422.569 4.052 50 0 HIAAHN CCC[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)C2ON1c1ccccc1 ZINC000018113416 560776169 /nfs/dbraw/zinc/77/61/69/560776169.db2.gz PBLBZXKHIMOEEP-SQNIBIBYSA-N 0 3 404.388 4.184 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)c(C)c1 ZINC000102663075 560819316 /nfs/dbraw/zinc/81/93/16/560819316.db2.gz KQLJQEYSXFFULJ-XPWALMASSA-N 0 3 416.452 4.494 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)c(F)c4)[C@@H]3C2=O)cc1 ZINC000102763464 560824962 /nfs/dbraw/zinc/82/49/62/560824962.db2.gz QUFAJEFNCKOFAQ-FDFHNCONSA-N 0 3 420.415 4.324 50 0 HIAAHN CCN(C(=O)Nc1ccc(NC(C)=O)c(OC)c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000107076434 560895283 /nfs/dbraw/zinc/89/52/83/560895283.db2.gz JVNZEMYXBWEJSX-DYESRHJHSA-N 0 3 424.545 4.343 50 0 HIAAHN CCOc1cc(CNCCOCCO)cc(Cl)c1OCc1ccccc1Cl ZINC000010435697 568416356 /nfs/dbraw/zinc/41/63/56/568416356.db2.gz XROWKBXPMQSXKI-UHFFFAOYSA-N 0 3 414.329 4.070 50 0 HIAAHN Cc1nn(-c2ccc(F)cc2F)c2c1C(C(=O)c1cccc(Cl)c1)CC(=O)N2 ZINC000046057152 568426100 /nfs/dbraw/zinc/42/61/00/568426100.db2.gz HLLMZNOIJAGLPZ-AWEZNQCLSA-N 0 3 401.800 4.421 50 0 HIAAHN CCc1cccc(-n2nc(C)c3c2NC(=O)CC3C(=O)c2cc(OC)ccc2OC)c1 ZINC000046057372 568426211 /nfs/dbraw/zinc/42/62/11/568426211.db2.gz VCARGOZXNBWZEQ-IBGZPJMESA-N 0 3 419.481 4.069 50 0 HIAAHN O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000020108548 568588508 /nfs/dbraw/zinc/58/85/08/568588508.db2.gz RHGCQWPTVAGFDS-JOCHJYFZSA-N 0 3 403.998 4.390 50 0 HIAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C5CCCCC5)CC4)[C@H]3C=C12 ZINC000020612293 568637474 /nfs/dbraw/zinc/63/74/74/568637474.db2.gz RGHKEJPNSWYLEW-FSIRCMOZSA-N 0 3 400.607 4.251 50 0 HIAAHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000225504666 568644170 /nfs/dbraw/zinc/64/41/70/568644170.db2.gz WSSLPTABKIHBLQ-LBPRGKRZSA-N 0 3 417.884 4.457 50 0 HIAAHN CCN(C(=O)Nc1cc(OC)ccc1OC(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000095942614 568662272 /nfs/dbraw/zinc/66/22/72/568662272.db2.gz MARUBFGRXUGEOV-KRWDZBQOSA-N 0 3 419.472 4.425 50 0 HIAAHN CCN(CC(=O)N[C@H](C)c1cccs1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000225670426 568662504 /nfs/dbraw/zinc/66/25/04/568662504.db2.gz QKQJGCGHXVYPIF-SJORKVTESA-N 0 3 409.596 4.037 50 0 HIAAHN CCN(CC)[C@H](CNC(=O)/C=C\c1c(C)nc2sc(C)cn12)c1ccsc1 ZINC000096130025 568701976 /nfs/dbraw/zinc/70/19/76/568701976.db2.gz LDXMHBLERWMAHX-JTHGQSKGSA-N 0 3 402.589 4.287 50 0 HIAAHN CCOC(=O)c1nc2ccccc2c(NCC2CCN(Cc3cccc(F)c3)CC2)n1 ZINC000021645261 568728143 /nfs/dbraw/zinc/72/81/43/568728143.db2.gz ZATAQNKKHOXVQV-UHFFFAOYSA-N 0 3 422.504 4.270 50 0 HIAAHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1cn2cc(Cl)cc(Cl)c2n1 ZINC000241231092 568730841 /nfs/dbraw/zinc/73/08/41/568730841.db2.gz KRVZTXPWPJALAL-WBMJQRKESA-N 0 3 413.349 4.376 50 0 HIAAHN OCCCCNCc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000247753504 568745560 /nfs/dbraw/zinc/74/55/60/568745560.db2.gz CCVIOTXGBHBDQR-UHFFFAOYSA-N 0 3 405.329 4.162 50 0 HIAAHN c1ccc(Cn2nc(CNCCc3nc4ccccc4[nH]3)c(-c3ccccc3)n2)cc1 ZINC000261491716 568820220 /nfs/dbraw/zinc/82/02/20/568820220.db2.gz FDQCNANSPIIADW-UHFFFAOYSA-N 0 3 408.509 4.202 50 0 HIAAHN Fc1ccc(Cn2nc(CNCCCOc3ccccn3)c(-c3ccccc3)n2)cc1 ZINC000261492626 568820602 /nfs/dbraw/zinc/82/06/02/568820602.db2.gz VOMDYNXEBJJTDZ-UHFFFAOYSA-N 0 3 417.488 4.086 50 0 HIAAHN CCCCC(=O)Nc1ccc2c(c1)nc(CCN1CCN(c3ccccc3)CC1)n2C ZINC000057264295 568825174 /nfs/dbraw/zinc/82/51/74/568825174.db2.gz PRLVAHUGYYIIKW-UHFFFAOYSA-N 0 3 419.573 4.067 50 0 HIAAHN Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057314353 568826611 /nfs/dbraw/zinc/82/66/11/568826611.db2.gz AJRNCPOERDHVBT-UHFFFAOYSA-N 0 3 415.537 4.335 50 0 HIAAHN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N[C@H](C)c1cccc2ccccc21 ZINC000057380649 568830456 /nfs/dbraw/zinc/83/04/56/568830456.db2.gz RBLGVXLVTTYAOD-MOPGFXCFSA-N 0 3 403.526 4.251 50 0 HIAAHN Cc1cccc(N2CCC(NC(=O)CC3CCN(Cc4ccccc4)CC3)CC2)c1 ZINC000670435759 568875571 /nfs/dbraw/zinc/87/55/71/568875571.db2.gz UAROEMAMXYBGPO-UHFFFAOYSA-N 0 3 405.586 4.382 50 0 HIAAHN CC[C@H]1Cn2c(C(=O)NC3CCN(Cc4ccccc4)CC3)cc3cccc(c32)O1 ZINC000035373623 569034247 /nfs/dbraw/zinc/03/42/47/569034247.db2.gz OAIOAETXWUDWGN-NRFANRHFSA-N 0 3 403.526 4.207 50 0 HIAAHN COC(=O)c1c(NC2CCN(Cc3ccccc3)CC2)onc1-c1ccc(F)cc1 ZINC000035447427 569037344 /nfs/dbraw/zinc/03/73/44/569037344.db2.gz AXNAAOHYENGFJS-UHFFFAOYSA-N 0 3 409.461 4.344 50 0 HIAAHN CN(C)[C@H](CNC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1csc2ccccc21 ZINC000575621544 569038942 /nfs/dbraw/zinc/03/89/42/569038942.db2.gz PMCXSQIPDBAAIU-OAQYLSRUSA-N 0 3 422.529 4.474 50 0 HIAAHN COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@@H]34)CC2)c1 ZINC000226861092 569039918 /nfs/dbraw/zinc/03/99/18/569039918.db2.gz HWHLLITUISOPCT-TVKXAPEFSA-N 0 3 424.585 4.276 50 0 HIAAHN CCOc1ccc(Cl)c(C(=O)OC[C@H]2CCCN(C)[C@H]2c2ccc(OC)cc2)n1 ZINC000241644462 569054886 /nfs/dbraw/zinc/05/48/86/569054886.db2.gz PQYVLJAMOZKEMH-IERDGZPVSA-N 0 3 418.921 4.382 50 0 HIAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C1=O ZINC000245311315 569055675 /nfs/dbraw/zinc/05/56/75/569055675.db2.gz NDIWNNJWRZVTDL-QHAWAJNXSA-N 0 3 419.868 4.095 50 0 HIAAHN Cc1ccc(-c2csc(-c3cccn3CC(=O)NCCN3CCC(C)CC3)n2)cc1 ZINC000064677230 569081267 /nfs/dbraw/zinc/08/12/67/569081267.db2.gz JSFOOWCAKWIIGA-UHFFFAOYSA-N 0 3 422.598 4.435 50 0 HIAAHN COc1ccc(CN(Cc2cccc(C)c2)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000036095327 569089872 /nfs/dbraw/zinc/08/98/72/569089872.db2.gz HPAFVNDHUOKFBS-HSZRJFAPSA-N 0 3 421.537 4.454 50 0 HIAAHN COc1ccc(OC[C@@H](O)CN(CCC(C)C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000036096132 569090329 /nfs/dbraw/zinc/09/03/29/569090329.db2.gz HCGUYNJNVZXKLS-FQEVSTJZSA-N 0 3 417.546 4.000 50 0 HIAAHN Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036101905 569091763 /nfs/dbraw/zinc/09/17/63/569091763.db2.gz DLJARRHVTMIKML-XMMPIXPASA-N 0 3 419.521 4.304 50 0 HIAAHN Cc1ccccc1CN(Cc1ccc2c(c1)OCO2)C[C@H](O)COc1ccccc1C ZINC000036104627 569092589 /nfs/dbraw/zinc/09/25/89/569092589.db2.gz KRDWRZIDRRQMTK-QHCPKHFHSA-N 0 3 419.521 4.474 50 0 HIAAHN Cc1ccc2oc(=O)c3cc(C(=O)N(CCN(C)C)Cc4ccco4)sc3c2c1 ZINC000006736920 569104671 /nfs/dbraw/zinc/10/46/71/569104671.db2.gz GZKSQCDLHSRVDL-UHFFFAOYSA-N 0 3 410.495 4.113 50 0 HIAAHN CC[C@H](C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@@H]12 ZINC000169679273 569126714 /nfs/dbraw/zinc/12/67/14/569126714.db2.gz MXXYEPYUERUDMJ-DLVCFXQMSA-N 0 3 423.523 4.226 50 0 HIAAHN CC[C@H](C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@@H]12 ZINC000169679275 569126794 /nfs/dbraw/zinc/12/67/94/569126794.db2.gz MXXYEPYUERUDMJ-ZRCAFCQKSA-N 0 3 423.523 4.226 50 0 HIAAHN CC[C@H](C)N(Cc1ccc(OC)c(OC)c1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000169681693 569127716 /nfs/dbraw/zinc/12/77/16/569127716.db2.gz INDFLJYLRAFLOD-QFBILLFUSA-N 0 3 407.938 4.398 50 0 HIAAHN O=c1c2[nH]c3ccc(Cl)cc3c2ncn1CCN1CCC(Cc2ccccc2)CC1 ZINC000006809357 569133544 /nfs/dbraw/zinc/13/35/44/569133544.db2.gz DIUHSWSCVMVAIU-UHFFFAOYSA-N 0 3 420.944 4.486 50 0 HIAAHN O=C(NCCN1CCCCC1)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1 ZINC000064989489 569146025 /nfs/dbraw/zinc/14/60/25/569146025.db2.gz SCDSCKXTNBJTEO-UHFFFAOYSA-N 0 3 407.562 4.104 50 0 HIAAHN CCn1cc(CN2CCC(C(=O)NCc3ccccc3F)CC2)c2cc(OC)ccc21 ZINC000065060015 569163938 /nfs/dbraw/zinc/16/39/38/569163938.db2.gz XLXKXBGNNIRZHP-UHFFFAOYSA-N 0 3 423.532 4.337 50 0 HIAAHN COCCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000065314977 569223401 /nfs/dbraw/zinc/22/34/01/569223401.db2.gz HDGCUGCSIWEMEY-UHFFFAOYSA-N 0 3 419.569 4.054 50 0 HIAAHN CCN(CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1ccccc1F ZINC000007263608 569230796 /nfs/dbraw/zinc/23/07/96/569230796.db2.gz KZRMPBSEPYFSII-JOCHJYFZSA-N 0 3 422.500 4.436 50 0 HIAAHN C[C@H](NC(=O)Cc1cccc(OCCN(C)C)c1)c1ccc(-c2cccnc2)cc1 ZINC000170600279 569242965 /nfs/dbraw/zinc/24/29/65/569242965.db2.gz CHNSLNYLBPTMAW-IBGZPJMESA-N 0 3 403.526 4.109 50 0 HIAAHN CCCCc1nc2sc3c(ncnc3NCCN(C)C)c2c2c1COC(C)(C)C2 ZINC000002272092 569327066 /nfs/dbraw/zinc/32/70/66/569327066.db2.gz GOAYZXJUIKVVKD-UHFFFAOYSA-N 0 3 413.591 4.407 50 0 HIAAHN CC1CCN([C@H](CNC(=O)c2cc3c(c(Cl)c2)OCO3)c2cccs2)CC1 ZINC000027573842 569374767 /nfs/dbraw/zinc/37/47/67/569374767.db2.gz OATZFTLOPCWMAO-MRXNPFEDSA-N 0 3 406.935 4.333 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4C)[C@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000238882063 571046522 /nfs/dbraw/zinc/04/65/22/571046522.db2.gz CFPAIWKZMJGJHM-NJDAHSKKSA-N 0 3 404.491 4.416 50 0 HIAAHN CN(CCCNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)Cc1ccccc1 ZINC000040033600 571141049 /nfs/dbraw/zinc/14/10/49/571141049.db2.gz ARUNYUWFZPRYKA-UHFFFAOYSA-N 0 3 413.468 4.191 50 0 HIAAHN CC(C(=O)NC[C@@H](C)c1ccccc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000040121869 571177766 /nfs/dbraw/zinc/17/77/66/571177766.db2.gz NKATZLRQYCMKDP-KGLIPLIRSA-N 0 3 414.354 4.217 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@H]3C2=O)cc1Cl ZINC000245309086 571223869 /nfs/dbraw/zinc/22/38/69/571223869.db2.gz ARLOYYNQWRYBCI-QHAWAJNXSA-N 0 3 419.868 4.095 50 0 HIAAHN CCN1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000009151186 571230345 /nfs/dbraw/zinc/23/03/45/571230345.db2.gz RQDQTIKKECREBE-UHFFFAOYSA-N 0 3 415.509 4.361 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)c(F)c3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000009292232 571245682 /nfs/dbraw/zinc/24/56/82/571245682.db2.gz RLIPVQWPVHWTJF-NJDAHSKKSA-N 0 3 424.378 4.155 50 0 HIAAHN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(F)cc1)N(CCCN(C)C)C3=O ZINC000010233139 571297507 /nfs/dbraw/zinc/29/75/07/571297507.db2.gz WYPUEVLMQFLQLD-NRFANRHFSA-N 0 3 408.473 4.046 50 0 HIAAHN COc1ccccc1NC(=O)[C@H]1CC12CCN(Cc1cccn1-c1cccnc1)CC2 ZINC000012122532 845854991 /nfs/dbraw/zinc/85/49/91/845854991.db2.gz BAYYKANEMSJKTO-OAQYLSRUSA-N 0 3 416.525 4.122 50 0 HIAAHN CN(Cc1ccccc1)C1(CNC(=O)[C@@H]2CC(=O)c3ccccc32)Cc2ccccc2C1 ZINC000023367195 846690526 /nfs/dbraw/zinc/69/05/26/846690526.db2.gz VDEPZCSLMSPWNI-RUZDIDTESA-N 0 3 424.544 4.142 50 0 HIAAHN Cc1ccc(CN2CC[C@@H](Oc3ccccc3-c3nc(-c4ccncc4)no3)C2)o1 ZINC000575314386 948642815 /nfs/dbraw/zinc/64/28/15/948642815.db2.gz JEJWVPWDXRIPSF-LJQANCHMSA-N 0 3 402.454 4.353 50 0 HIAAHN COc1ccc(C(=O)N2CCC(N3CC4(CCCCC4)[C@H]3c3ccncc3)CC2)cn1 ZINC000575317521 948644398 /nfs/dbraw/zinc/64/43/98/948644398.db2.gz WNGVLOHYTNZGBM-HSZRJFAPSA-N 0 3 420.557 4.097 50 0 HIAAHN c1ccc(-c2nc3c4ccccc4nc(N4CCN(C5CCCCC5)CC4)n3n2)cc1 ZINC000006805400 132317878 /nfs/dbraw/zinc/31/78/78/132317878.db2.gz ZHBTXNXUKNHTGX-UHFFFAOYSA-N 0 3 412.541 4.399 50 0 HIAAHN COc1ccc(C(=O)Nc2ccc(N3CCC(NCc4ccccn4)CC3)cc2)cc1 ZINC000011912599 132352196 /nfs/dbraw/zinc/35/21/96/132352196.db2.gz SSQTUEJXIMCKTQ-UHFFFAOYSA-N 0 3 416.525 4.101 50 0 HIAAHN O=C(NC1CCCC1)c1ccc(N2CCC(NCc3cccc(F)c3F)CC2)cc1 ZINC000012245075 132357817 /nfs/dbraw/zinc/35/78/17/132357817.db2.gz ITLPSQYCBIEBQA-UHFFFAOYSA-N 0 3 413.512 4.396 50 0 HIAAHN CC(C)(C)OC(=O)N1CCC(O)(CN(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000040564687 518801245 /nfs/dbraw/zinc/80/12/45/518801245.db2.gz VWOFIJPCVHSJEH-UHFFFAOYSA-N 0 3 410.558 4.451 50 0 HIAAHN CCOc1cc2c(cc1OCC)[C@H](c1cccc(I)c1)NCC2 ZINC000019847954 520800220 /nfs/dbraw/zinc/80/02/20/520800220.db2.gz ZNNLLNFVGMVPQG-IBGZPJMESA-N 0 3 423.294 4.324 50 0 HIAAHN CC1CCN([C@H](CNC(=O)c2ccc3c(c2)OCCCO3)c2cccs2)CC1 ZINC000032716671 521037258 /nfs/dbraw/zinc/03/72/58/521037258.db2.gz PSYFDVKTDPDOMT-GOSISDBHSA-N 0 3 400.544 4.112 50 0 HIAAHN CCN1CCN(Cc2ccc(NC(=O)c3cc4ccc5cccnc5c4[nH]3)cc2)CC1 ZINC000020575520 521688924 /nfs/dbraw/zinc/68/89/24/521688924.db2.gz IBSWNYUEVDLHHN-UHFFFAOYSA-N 0 3 413.525 4.106 50 0 HIAAHN COc1cc(CNCCN(C)C)cc(Cl)c1OCc1ccc(F)cc1Cl ZINC000040720591 522450046 /nfs/dbraw/zinc/45/00/46/522450046.db2.gz OAWUCLGBCRESLZ-UHFFFAOYSA-N 0 3 401.309 4.371 50 0 HIAAHN Cc1ccc(NC(=O)COc2ccc(Cl)cc2CNC[C@@H](O)c2ccccc2)cc1 ZINC000040743604 525068543 /nfs/dbraw/zinc/06/85/43/525068543.db2.gz CMEKTGPWQVUWKO-JOCHJYFZSA-N 0 3 424.928 4.489 50 0 HIAAHN CSc1ccccc1CN1CCC(CNC(=O)c2cc3ccccc3oc2=O)CC1 ZINC000043991403 526158624 /nfs/dbraw/zinc/15/86/24/526158624.db2.gz CREOFAXURNBAHO-UHFFFAOYSA-N 0 3 422.550 4.157 50 0 HIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000032904083 527531424 /nfs/dbraw/zinc/53/14/24/527531424.db2.gz DUXSMNFXJLJFNK-UHFFFAOYSA-N 0 3 420.553 4.050 50 0 HIAAHN COc1ccccc1N1CCN(C2CCN(Cc3ccc(SC)cc3)CC2)CC1 ZINC000004712104 537068440 /nfs/dbraw/zinc/06/84/40/537068440.db2.gz SJZCJEYYOCPIIE-UHFFFAOYSA-N 0 3 411.615 4.204 50 0 HIAAHN Cc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3=O)c2c1 ZINC000005274561 557642953 /nfs/dbraw/zinc/64/29/53/557642953.db2.gz TZBCLDYCSCWGIC-IBGZPJMESA-N 0 3 416.308 4.247 50 0 HIAAHN CC[C@H](CO)NCc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000008327013 557782089 /nfs/dbraw/zinc/78/20/89/557782089.db2.gz YLSSNPLSWDRDOH-MRXNPFEDSA-N 0 3 412.299 4.036 50 0 HIAAHN COc1cc(CNC[C@@H](C)O)cc(Br)c1OCc1ccccc1Cl ZINC000008535049 557794219 /nfs/dbraw/zinc/79/42/19/557794219.db2.gz NKWJYIGJWKCZCW-GFCCVEGCSA-N 0 3 414.727 4.161 50 0 HIAAHN Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cnn(-c5ccccc5)c4)C3)C2)c1 ZINC000011662264 558266192 /nfs/dbraw/zinc/26/61/92/558266192.db2.gz POEPXDKSEOLXQI-AREMUKBSSA-N 0 3 414.553 4.309 50 0 HIAAHN Cc1ccnc(C[C@@H](C)N2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)c1 ZINC000011821659 558284732 /nfs/dbraw/zinc/28/47/32/558284732.db2.gz USWHFCGELDQTHK-HXUWFJFHSA-N 0 3 417.557 4.036 50 0 HIAAHN COc1ccc(/C=C/CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1 ZINC000011839625 558286210 /nfs/dbraw/zinc/28/62/10/558286210.db2.gz XRFQNAORUDHGQK-SNAWJCMRSA-N 0 3 408.546 4.371 50 0 HIAAHN CCOC(=O)C1(CCOc2ccccc2)CCN([C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000011840273 558286386 /nfs/dbraw/zinc/28/63/86/558286386.db2.gz BWELBBDNTSLNFM-FQEVSTJZSA-N 0 3 411.542 4.438 50 0 HIAAHN COc1cccc([C@H]2C3=C(NCCN=C3c3ccccc3)C(=O)N2c2ccccc2)c1 ZINC000019830932 558291479 /nfs/dbraw/zinc/29/14/79/558291479.db2.gz XASJWNRQIKAWIU-VWLOTQADSA-N 0 3 409.489 4.130 50 0 HIAAHN COc1cccc([C@@H]2C3=C(NCCN=C3c3ccccc3)C(=O)N2c2ccccc2)c1 ZINC000019830933 558291512 /nfs/dbraw/zinc/29/15/12/558291512.db2.gz XASJWNRQIKAWIU-RUZDIDTESA-N 0 3 409.489 4.130 50 0 HIAAHN CCO[C@H]1[C@H](NC(=O)CC)c2ccccc2C12CCN(Cc1cccc(F)c1)CC2 ZINC000011964906 558304088 /nfs/dbraw/zinc/30/40/88/558304088.db2.gz BCMGTHAANMQRHN-RPWUZVMVSA-N 0 3 410.533 4.346 50 0 HIAAHN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cccc3nccnc23)CC1 ZINC000012028897 558310655 /nfs/dbraw/zinc/31/06/55/558310655.db2.gz NANADZKEIXCCES-UHFFFAOYSA-N 0 3 419.525 4.244 50 0 HIAAHN O=C(c1ccc(Cl)cc1OC1CCN([C@@H]2CCSC2)CC1)N1CCCCC1 ZINC000012073856 558318642 /nfs/dbraw/zinc/31/86/42/558318642.db2.gz KUGSQGTWFOSETQ-QGZVFWFLSA-N 0 3 408.995 4.315 50 0 HIAAHN O=C(CC1C(=O)N(C2CCCCC2)c2nc3ccccc3n21)Nc1ccc(F)cc1 ZINC000020103502 558332574 /nfs/dbraw/zinc/33/25/74/558332574.db2.gz DCZZTRZIOXZTHM-FQEVSTJZSA-N 0 3 406.461 4.425 50 0 HIAAHN Cc1cc(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cc(C)c1O ZINC000012201690 558351452 /nfs/dbraw/zinc/35/14/52/558351452.db2.gz DHXIJRBOHRSJRC-HXUWFJFHSA-N 0 3 404.514 4.045 50 0 HIAAHN Cc1cccn2c(CN3C[C@H]4C[C@@H]3CCC4)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000012303383 558372854 /nfs/dbraw/zinc/37/28/54/558372854.db2.gz VYEWSXMGCQBBFS-YADHBBJMSA-N 0 3 416.569 4.332 50 0 HIAAHN CCOC(=O)[C@]1(Cc2ccccc2)CCCN(Cc2cccn2-c2nccs2)C1 ZINC000012303942 558373434 /nfs/dbraw/zinc/37/34/34/558373434.db2.gz YVPAHZZHFUHTJI-QHCPKHFHSA-N 0 3 409.555 4.322 50 0 HIAAHN O=C(c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)N1CCN2CCC[C@@H]2C1 ZINC000012317694 558381065 /nfs/dbraw/zinc/38/10/65/558381065.db2.gz RSLWFKNNYAWWIT-OAHLLOKOSA-N 0 3 420.460 4.002 50 0 HIAAHN CCOc1cc(CNC[C@H](C)O)cc(Br)c1OCc1ccc(C)cc1 ZINC000020874715 558418902 /nfs/dbraw/zinc/41/89/02/558418902.db2.gz CDWRNYFEZXXVAF-HNNXBMFYSA-N 0 3 408.336 4.206 50 0 HIAAHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)cc1OC ZINC000012579445 558432075 /nfs/dbraw/zinc/43/20/75/558432075.db2.gz ZMMABDRZOHLBGB-HXUWFJFHSA-N 0 3 422.525 4.229 50 0 HIAAHN CC(C)c1ccc(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)cc1 ZINC000012585444 558433869 /nfs/dbraw/zinc/43/38/69/558433869.db2.gz SEGPUDBCAIALBM-UHFFFAOYSA-N 0 3 403.530 4.491 50 0 HIAAHN CSc1nc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)cs1 ZINC000012704102 558448940 /nfs/dbraw/zinc/44/89/40/558448940.db2.gz NEUUTLSOGPMGIZ-UHFFFAOYSA-N 0 3 407.580 4.031 50 0 HIAAHN CCc1ccc(CN2CCC(Oc3cc(OC)ccc3C(=O)NC3CC3)CC2)cc1 ZINC000012755889 558460066 /nfs/dbraw/zinc/46/00/66/558460066.db2.gz ULQOJOIUPSYLFO-UHFFFAOYSA-N 0 3 408.542 4.193 50 0 HIAAHN CC(C)[C@@H](NCC(=O)N[C@H]1CCCc2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000012794533 558467749 /nfs/dbraw/zinc/46/77/49/558467749.db2.gz FKAUAKAPAYJVPS-SQJMNOBHSA-N 0 3 408.542 4.328 50 0 HIAAHN CN1CCN(C(C)(C)CNc2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC000022933602 558525476 /nfs/dbraw/zinc/52/54/76/558525476.db2.gz NOSMRULKJGDGRI-UHFFFAOYSA-N 0 3 415.994 4.450 50 0 HIAAHN CCOc1cccc(CNCCCN2CCCC2=O)c1OCc1ccccc1Cl ZINC000013728096 558585367 /nfs/dbraw/zinc/58/53/67/558585367.db2.gz NTKXWGLKRWEDMV-UHFFFAOYSA-N 0 3 416.949 4.420 50 0 HIAAHN CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1ccc(F)c(F)c1)CC2 ZINC000014532242 558656388 /nfs/dbraw/zinc/65/63/88/558656388.db2.gz BWJUUFDHWORTAZ-UHFFFAOYSA-N 0 3 421.532 4.266 50 0 HIAAHN CCN(CCC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000026922170 558667246 /nfs/dbraw/zinc/66/72/46/558667246.db2.gz FAWGBSGUTQJLDH-OAHLLOKOSA-N 0 3 409.313 4.484 50 0 HIAAHN Cc1noc(C)c1CCC(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1 ZINC000014959930 558683639 /nfs/dbraw/zinc/68/36/39/558683639.db2.gz RLVXQCZUDSUGKK-UHFFFAOYSA-N 0 3 417.553 4.010 50 0 HIAAHN CSc1ncc(Cl)c(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N(C)C)n1 ZINC000028290514 558696724 /nfs/dbraw/zinc/69/67/24/558696724.db2.gz JTXKRWUXWHPPII-MRXNPFEDSA-N 0 3 406.983 4.182 50 0 HIAAHN NC(=O)[C@H]1CCCN(Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000015061723 558704885 /nfs/dbraw/zinc/70/48/85/558704885.db2.gz BIBZBHXYSGHHDX-HNNXBMFYSA-N 0 3 412.896 4.029 50 0 HIAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CCC(=O)c2ccccc2)C1 ZINC000015064121 558706726 /nfs/dbraw/zinc/70/67/26/558706726.db2.gz HPCIHNJDJOCECV-OAQYLSRUSA-N 0 3 422.569 4.071 50 0 HIAAHN COc1cccc(CNC(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)c1 ZINC000029316502 558713152 /nfs/dbraw/zinc/71/31/52/558713152.db2.gz PUNNOAYHVIBJTA-UHFFFAOYSA-N 0 3 403.526 4.423 50 0 HIAAHN c1cc(CNCc2ccc(OCc3ccc4c(c3)OCCO4)cc2)cc2c1OCO2 ZINC000015356902 558735650 /nfs/dbraw/zinc/73/56/50/558735650.db2.gz BMDQXXHAHMLNNR-UHFFFAOYSA-N 0 3 405.450 4.055 50 0 HIAAHN COc1cc(CNC[C@@H]2CCCO2)cc(Br)c1OCc1ccccc1F ZINC000016195846 558778072 /nfs/dbraw/zinc/77/80/72/558778072.db2.gz CIKOVJZLRXJGJD-INIZCTEOSA-N 0 3 424.310 4.444 50 0 HIAAHN O[C@@H](COc1ccc(Br)cc1)CN1CCC(Cc2ccccc2)CC1 ZINC000004279536 558780710 /nfs/dbraw/zinc/78/07/10/558780710.db2.gz RSXFMHFYIPOTDZ-HXUWFJFHSA-N 0 3 404.348 4.144 50 0 HIAAHN Cc1c(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cnn1-c1cccc(Cl)c1 ZINC000058130787 558900374 /nfs/dbraw/zinc/90/03/74/558900374.db2.gz SYVMXEJQABWLPM-FQEVSTJZSA-N 0 3 422.960 4.476 50 0 HIAAHN CCc1ncc(CN2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)cn1 ZINC000072454523 558982930 /nfs/dbraw/zinc/98/29/30/558982930.db2.gz OJTNQMUGJNJKRD-UHFFFAOYSA-N 0 3 405.468 4.088 50 0 HIAAHN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000067602100 558987885 /nfs/dbraw/zinc/98/78/85/558987885.db2.gz AKRKLKKAZHRTTC-UHFFFAOYSA-N 0 3 410.905 4.258 50 0 HIAAHN CC[C@H](N)C(=O)Nc1nn(-c2ccc(F)cc2)c2cccc(Oc3cccnc3)c12 ZINC000077454723 559005664 /nfs/dbraw/zinc/00/56/64/559005664.db2.gz CFDZYFKIFCCMII-KRWDZBQOSA-N 0 3 405.433 4.028 50 0 HIAAHN O=C(c1cccc2cccnc21)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095377859 559080361 /nfs/dbraw/zinc/08/03/61/559080361.db2.gz VCZGYWCRTNHHHF-QPTUXGOLSA-N 0 3 401.485 4.076 50 0 HIAAHN COc1cccc(CN2CC3(CC2=O)CCN(Cc2ccc4[nH]ccc4c2)CC3)c1 ZINC000095511778 559083979 /nfs/dbraw/zinc/08/39/79/559083979.db2.gz HOSDPOLCVYLOGQ-UHFFFAOYSA-N 0 3 403.526 4.191 50 0 HIAAHN CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000004863234 559193367 /nfs/dbraw/zinc/19/33/67/559193367.db2.gz MAJDYENNHADPAW-IBGZPJMESA-N 0 3 412.331 4.415 50 0 HIAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000004903105 559200012 /nfs/dbraw/zinc/20/00/12/559200012.db2.gz UESPLQLIAMSYST-HXUWFJFHSA-N 0 3 405.498 4.161 50 0 HIAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(OC)cc3OC)=NN12 ZINC000004954890 559216486 /nfs/dbraw/zinc/21/64/86/559216486.db2.gz IPMGNYYKOOGGAS-QFIPXVFZSA-N 0 3 421.541 4.449 50 0 HIAAHN CCN(CC)CCN(C(=O)c1cccc(OC)c1)c1nc2c(cccc2OC)s1 ZINC000005121960 559248494 /nfs/dbraw/zinc/24/84/94/559248494.db2.gz JLWUQJOWGMNJJS-UHFFFAOYSA-N 0 3 413.543 4.302 50 0 HIAAHN Cc1cccc(CN(C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)n1 ZINC000011816857 559260411 /nfs/dbraw/zinc/26/04/11/559260411.db2.gz ZSBJLVRGUGVYKB-XMMPIXPASA-N 0 3 411.565 4.422 50 0 HIAAHN O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1cccc(F)c1 ZINC000136417870 559276942 /nfs/dbraw/zinc/27/69/42/559276942.db2.gz PFUFINGZQLOXFT-PWRODBHTSA-N 0 3 406.388 4.016 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(F)c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000136417870 559276944 /nfs/dbraw/zinc/27/69/44/559276944.db2.gz PFUFINGZQLOXFT-PWRODBHTSA-N 0 3 406.388 4.016 50 0 HIAAHN O=C1[C@@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000136628213 559277846 /nfs/dbraw/zinc/27/78/46/559277846.db2.gz MADIIHWVTPVBSD-PWRODBHTSA-N 0 3 406.388 4.016 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1F ZINC000136628213 559277847 /nfs/dbraw/zinc/27/78/47/559277847.db2.gz MADIIHWVTPVBSD-PWRODBHTSA-N 0 3 406.388 4.016 50 0 HIAAHN COc1ccccc1N1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)CC1 ZINC000061991173 560564694 /nfs/dbraw/zinc/56/46/94/560564694.db2.gz TUGNZPZGRMNXOD-AGTPCEQSSA-N 0 3 424.585 4.131 50 0 HIAAHN CCN(CC(=O)Nc1ccc(OC(F)F)cc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000062581998 560632036 /nfs/dbraw/zinc/63/20/36/560632036.db2.gz VCWORKIBBHLLMB-FXAWDEMLSA-N 0 3 417.500 4.384 50 0 HIAAHN CCCCc1nn2c(nc(CN(Cc3ccc(F)cc3)CC(C)C)cc2=O)s1 ZINC000046032218 568424716 /nfs/dbraw/zinc/42/47/16/568424716.db2.gz UCUXQYJLZYUOPA-UHFFFAOYSA-N 0 3 402.539 4.291 50 0 HIAAHN CCc1ccc(-n2nc(C)c3c2NC(=O)CC3C(=O)c2c(OC)cccc2OC)cc1 ZINC000046057564 568426178 /nfs/dbraw/zinc/42/61/78/568426178.db2.gz HNWPIJHPWWPUDJ-QGZVFWFLSA-N 0 3 419.481 4.069 50 0 HIAAHN COc1cccc([C@H](CNC(=O)Nc2ccc(N3CCCCC3)nc2)N2CCCC2)c1 ZINC000048324769 568438372 /nfs/dbraw/zinc/43/83/72/568438372.db2.gz VTPDDKHSZVAERK-QFIPXVFZSA-N 0 3 423.561 4.039 50 0 HIAAHN CCOC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CC(C)(C)NC2(C)C ZINC000003180023 568478029 /nfs/dbraw/zinc/47/80/29/568478029.db2.gz LKAADAUCCZSVPQ-UHFFFAOYSA-N 0 3 416.543 4.102 50 0 HIAAHN Cc1ccc(-c2noc([C@H](C)N(C)C3CCN(CCc4ccncc4)CC3)n2)cc1F ZINC000095459786 568619782 /nfs/dbraw/zinc/61/97/82/568619782.db2.gz GZPXTFRVZBIGNH-SFHVURJKSA-N 0 3 423.536 4.279 50 0 HIAAHN FC(F)(F)c1cccc([C@H](NCCc2nnc3n2CCCCC3)c2ccncc2)c1 ZINC000095466827 568624245 /nfs/dbraw/zinc/62/42/45/568624245.db2.gz LAGPQNCFGNIGHB-OAQYLSRUSA-N 0 3 415.463 4.340 50 0 HIAAHN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)NC[C@@H](C)N1CCCCC1 ZINC000040156940 568626658 /nfs/dbraw/zinc/62/66/58/568626658.db2.gz YFEPZFCGTISYNO-MRXNPFEDSA-N 0 3 411.575 4.345 50 0 HIAAHN CC(C)[S@](=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)cc1 ZINC000225758931 568671723 /nfs/dbraw/zinc/67/17/23/568671723.db2.gz MTFBKAWOTQJTNJ-MNNSJKJDSA-N 0 3 412.599 4.233 50 0 HIAAHN COc1ccc(F)c(CN2CCC[C@]3(CCN(Cc4nc5ccccc5[nH]4)C3)C2)c1 ZINC000012445145 568726142 /nfs/dbraw/zinc/72/61/42/568726142.db2.gz HBSDGYCMKJUUGD-DEOSSOPVSA-N 0 3 408.521 4.199 50 0 HIAAHN COc1ccc(CCNCc2nn(Cc3ccccc3F)nc2-c2ccccc2)cc1 ZINC000247937313 568746179 /nfs/dbraw/zinc/74/61/79/568746179.db2.gz VRVVUJOUSRPFBK-UHFFFAOYSA-N 0 3 416.500 4.473 50 0 HIAAHN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCN(C)CC2)o1 ZINC000000934793 568751635 /nfs/dbraw/zinc/75/16/35/568751635.db2.gz WTYFULIJGJITQY-KRWDZBQOSA-N 0 3 416.319 4.316 50 0 HIAAHN Cn1ncc2c1nc(NC1CCN(Cc3ccccc3)CC1)nc2Nc1ccccc1 ZINC000021929014 568761637 /nfs/dbraw/zinc/76/16/37/568761637.db2.gz TXBHMBAUVFAXKD-UHFFFAOYSA-N 0 3 413.529 4.183 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4F)[C@@H]3C2=O)c(C)c1 ZINC000230050243 568805103 /nfs/dbraw/zinc/80/51/03/568805103.db2.gz BEHNWZBSIRATNN-YTFSRNRJSA-N 0 3 416.452 4.494 50 0 HIAAHN Clc1ccccc1Cn1nc(CNCCCn2ccnc2)c(-c2ccccc2)n1 ZINC000261492027 568820348 /nfs/dbraw/zinc/82/03/48/568820348.db2.gz QBDSHCZBEMMOBD-UHFFFAOYSA-N 0 3 406.921 4.023 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)c3sc4nc(C)nc(C)c4c3C)c(C)c2)CC1 ZINC000029962405 568854061 /nfs/dbraw/zinc/85/40/61/568854061.db2.gz YMFLVERXNKNPQS-UHFFFAOYSA-N 0 3 423.586 4.319 50 0 HIAAHN O=c1c2c(CN3CCCCC3)c(-c3ccc(F)cc3)nn2ccn1Cc1ccccc1 ZINC000263618740 568912030 /nfs/dbraw/zinc/91/20/30/568912030.db2.gz VHLVBYJDWGOOKI-UHFFFAOYSA-N 0 3 416.500 4.336 50 0 HIAAHN COC(=O)c1c2c(sc1NC(=O)c1ccc(C(C)=O)cc1)C(C)(C)NC(C)(C)C2 ZINC000004275274 568962415 /nfs/dbraw/zinc/96/24/15/568962415.db2.gz OGNQJJUXOFQVCB-UHFFFAOYSA-N 0 3 414.527 4.149 50 0 HIAAHN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000007989526 568966437 /nfs/dbraw/zinc/96/64/37/568966437.db2.gz KBEVXMSISOXWSI-OAQYLSRUSA-N 0 3 424.976 4.104 50 0 HIAAHN CC(C)CC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000035107868 568992069 /nfs/dbraw/zinc/99/20/69/568992069.db2.gz DOFKULVNRMZKAN-DENIHFKCSA-N 0 3 423.605 4.101 50 0 HIAAHN Cc1cc(O)c([C@@H](c2ccncc2)N2CCC(C)CC2)c(=O)n1Cc1ccccc1 ZINC000038545806 568999595 /nfs/dbraw/zinc/99/95/95/568999595.db2.gz LWFIPIXUCMRUKR-XMMPIXPASA-N 0 3 403.526 4.127 50 0 HIAAHN O=C(NCCN1CCCCC1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649391 569005592 /nfs/dbraw/zinc/00/55/92/569005592.db2.gz SAXJTRZRAUFYQI-UHFFFAOYSA-N 0 3 419.504 4.242 50 0 HIAAHN CC(C)(C)CN1CCN(Cc2cnc(-c3cccc4ccccc43)nc2)C[C@H]1CCO ZINC000106685084 569009191 /nfs/dbraw/zinc/00/91/91/569009191.db2.gz JTMAFUBXZNQERR-JOCHJYFZSA-N 0 3 418.585 4.212 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4F)[C@H]3C2=O)cc1 ZINC000245312002 569055773 /nfs/dbraw/zinc/05/57/73/569055773.db2.gz RPNKTIDKSYHAFW-YPAWHYETSA-N 0 3 402.425 4.185 50 0 HIAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccnc3)[C@H]2C1=O ZINC000245328195 569056008 /nfs/dbraw/zinc/05/60/08/569056008.db2.gz TXGUTMNUCUJRAZ-QHAWAJNXSA-N 0 3 419.868 4.095 50 0 HIAAHN O=C(Cc1ccc(NCc2cccc(C(F)(F)F)c2)cc1)NCCN1CCCCC1 ZINC000035830160 569061904 /nfs/dbraw/zinc/06/19/04/569061904.db2.gz LOGBGFVRDLTKIR-UHFFFAOYSA-N 0 3 419.491 4.462 50 0 HIAAHN CCN(CC)CCn1cnc2c(c1=N)[C@H](c1ccccc1Cl)c1ccc(O)cc1O2 ZINC000006660478 569083202 /nfs/dbraw/zinc/08/32/02/569083202.db2.gz BTNNFGTZMRUYBQ-HXUWFJFHSA-N 0 3 424.932 4.349 50 0 HIAAHN COc1ccc(CN(Cc2ccccc2)C[C@H](O)COCc2ccccc2)cc1OC ZINC000036095757 569090045 /nfs/dbraw/zinc/09/00/45/569090045.db2.gz JDTYBGMLYBSYNJ-DEOSSOPVSA-N 0 3 421.537 4.284 50 0 HIAAHN COc1cccc(CN(CC(C)C)C[C@H](O)COc2ccc(Cl)cc2)c1OC ZINC000036097083 569090269 /nfs/dbraw/zinc/09/02/69/569090269.db2.gz DMGAYWFIYWYLHN-IBGZPJMESA-N 0 3 407.938 4.255 50 0 HIAAHN Cc1cccc(OCc2nc(CN(CCN3CCCC3)C(=O)C(C)C)cs2)c1C ZINC000036107113 569093260 /nfs/dbraw/zinc/09/32/60/569093260.db2.gz XZDXJBKGTVYTMU-UHFFFAOYSA-N 0 3 415.603 4.419 50 0 HIAAHN CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(N(C)C)cc2)=NO1 ZINC000006708635 569095598 /nfs/dbraw/zinc/09/55/98/569095598.db2.gz HCASHCBXZXDSKV-JOCHJYFZSA-N 0 3 411.521 4.460 50 0 HIAAHN CN(CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc2c(c1)OCO2)C1CCCCC1 ZINC000036344428 569142691 /nfs/dbraw/zinc/14/26/91/569142691.db2.gz URIWXZIOQSDGQX-QFIPXVFZSA-N 0 3 419.525 4.358 50 0 HIAAHN CC(C)c1nc(-n2cccc2)sc1C(=O)NCCCN1CCc2ccccc2C1 ZINC000065118594 569182150 /nfs/dbraw/zinc/18/21/50/569182150.db2.gz JPFMGBMJJUSGMP-UHFFFAOYSA-N 0 3 408.571 4.235 50 0 HIAAHN CCN(CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccccc1F ZINC000007263644 569230816 /nfs/dbraw/zinc/23/08/16/569230816.db2.gz KZRMPBSEPYFSII-QFIPXVFZSA-N 0 3 422.500 4.436 50 0 HIAAHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)Cc1cccc(Cl)c1 ZINC000089702557 569262869 /nfs/dbraw/zinc/26/28/69/569262869.db2.gz VASBXQLMHLENJR-NRFANRHFSA-N 0 3 408.933 4.473 50 0 HIAAHN O=C(Cc1csc(Nc2ccccc2)n1)NC1CCN(Cc2ccccc2)CC1 ZINC000016850096 569265817 /nfs/dbraw/zinc/26/58/17/569265817.db2.gz SBKXMILLUCZMSB-UHFFFAOYSA-N 0 3 406.555 4.210 50 0 HIAAHN Cc1ccc([C@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)N2CCCCC2)cc1 ZINC000017041130 569272260 /nfs/dbraw/zinc/27/22/60/569272260.db2.gz XTITWAMKPNUDPX-XMMPIXPASA-N 0 3 403.526 4.189 50 0 HIAAHN CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000002439201 569400179 /nfs/dbraw/zinc/40/01/79/569400179.db2.gz PMQUKWIZDCXPJU-HXUWFJFHSA-N 0 3 410.901 4.333 50 0 HIAAHN CC(C)CN(CCN(C)C)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000079021153 569424327 /nfs/dbraw/zinc/42/43/27/569424327.db2.gz GMCATTBXXSYSKS-UHFFFAOYSA-N 0 3 400.498 4.130 50 0 HIAAHN O=C(C1COc2ccccc2O1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 ZINC000008601618 571090335 /nfs/dbraw/zinc/09/03/35/571090335.db2.gz PXGYERILMYEVKU-IBGZPJMESA-N 0 3 421.453 4.204 50 0 HIAAHN Fc1cccc(CN2CCC[C@]3(CCN(Cc4cccn4-c4ncccn4)C3)C2)c1F ZINC000015067667 571134636 /nfs/dbraw/zinc/13/46/36/571134636.db2.gz QFJPLCSOBVFTHL-DEOSSOPVSA-N 0 3 423.511 4.034 50 0 HIAAHN Cc1cc(C(=O)CCC(=O)Nc2ccc(N3CCCN(C)CC3)c(F)c2)c(C)s1 ZINC000040157513 571204279 /nfs/dbraw/zinc/20/42/79/571204279.db2.gz WYMMNIQHWKXWPH-UHFFFAOYSA-N 0 3 417.550 4.248 50 0 HIAAHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000245225096 571217320 /nfs/dbraw/zinc/21/73/20/571217320.db2.gz MNNOYICWPVJMDY-MJBXVCDLSA-N 0 3 424.916 4.385 50 0 HIAAHN NC(=O)c1ccc(CN2CCC3(C[C@@H]3c3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000069663105 571237357 /nfs/dbraw/zinc/23/73/57/571237357.db2.gz JFGYPZOLMBGDPN-LJQANCHMSA-N 0 3 422.916 4.259 50 0 HIAAHN O=C(NCc1ccccc1CN1CCCCC1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000009931973 571290840 /nfs/dbraw/zinc/29/08/40/571290840.db2.gz FJGKMVHUEDBGOG-UHFFFAOYSA-N 0 3 406.555 4.451 50 0 HIAAHN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1cccc2ccccc21)N(C)C ZINC000010333742 571300583 /nfs/dbraw/zinc/30/05/83/571300583.db2.gz BMZQBEJVNHCWLI-NRFANRHFSA-N 0 3 409.917 4.159 50 0 HIAAHN CN(C)[C@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1cn(C)c2ccccc12 ZINC000077200993 571313319 /nfs/dbraw/zinc/31/33/19/571313319.db2.gz QGSDJOCGJARHBU-LJQANCHMSA-N 0 3 405.420 4.110 50 0 HIAAHN COc1ccccc1CN1C[C@@H]2C[C@@H](c3c(C)nn(C(C)C)c3C)N3CCC[C@@]23C1=O ZINC000011814838 845836388 /nfs/dbraw/zinc/83/63/88/845836388.db2.gz ODNBBMKSZCMTGP-WATLYSKOSA-N 0 3 422.573 4.027 50 0 HIAAHN CCOC(=O)N1CCC(N2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000011844415 845838074 /nfs/dbraw/zinc/83/80/74/845838074.db2.gz XJOSBRGTBLUHIL-MRXNPFEDSA-N 0 3 412.452 4.221 50 0 HIAAHN CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)c2csc(-c3cccs3)n2)C1 ZINC000012448140 845870980 /nfs/dbraw/zinc/87/09/80/845870980.db2.gz SPRRXNFYVBTYJA-KRWDZBQOSA-N 0 3 412.584 4.393 50 0 HIAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4n[nH]c5ccc(C)cc54)C3)C2)c1 ZINC000012434162 845871551 /nfs/dbraw/zinc/87/15/51/845871551.db2.gz UYRHFLSOFWRRAY-VWLOTQADSA-N 0 3 418.541 4.008 50 0 HIAAHN Cn1cc(CN2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000012716199 845885257 /nfs/dbraw/zinc/88/52/57/845885257.db2.gz ACEBDVMGZIEHJD-OAQYLSRUSA-N 0 3 413.525 4.419 50 0 HIAAHN O=C(c1cn([C@@H]2CCCN(Cc3ccc(-c4ccccc4)cc3)C2)nn1)N1CCCC1 ZINC000020256663 846382064 /nfs/dbraw/zinc/38/20/64/846382064.db2.gz JRCCVCJUBMCWHG-HSZRJFAPSA-N 0 3 415.541 4.018 50 0 HIAAHN Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN2CCC[C@H](c3nncn3C)C2)o1 ZINC000020513387 846385302 /nfs/dbraw/zinc/38/53/02/846385302.db2.gz QPZYGUAJJFGBKI-KRWDZBQOSA-N 0 3 420.492 4.088 50 0 HIAAHN COc1ccc([C@@H](CNC(=O)/C=C\c2ccc3cc(OC)ccc3c2)N(C)C)cc1 ZINC000096904524 852557358 /nfs/dbraw/zinc/55/73/58/852557358.db2.gz RJHOJJMRZQFZEO-UXENDKHNSA-N 0 3 404.510 4.289 50 0 HIAAHN CC(C)=CCN1CCOc2ccc(CN3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000299759048 854280954 /nfs/dbraw/zinc/28/09/54/854280954.db2.gz MZBDEJLWJODHKQ-UHFFFAOYSA-N 0 3 407.558 4.286 50 0 HIAAHN CO[C@H]1CN(C2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)[C@H]1c1ccncc1 ZINC000575553795 948679764 /nfs/dbraw/zinc/67/97/64/948679764.db2.gz IUVFWBAWRCNNCA-SFTDATJTSA-N 0 3 421.463 4.017 50 0 HIAAHN CCCCN(C)CCNC(=O)CN1c2ccccc2S/C(=C\c2ccccc2)C1=O ZINC000004712651 132285610 /nfs/dbraw/zinc/28/56/10/132285610.db2.gz XLFNYWXTARDUKB-XLNRJJMWSA-N 0 3 423.582 4.015 50 0 HIAAHN CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN(C)C1CCCCC1 ZINC000004917840 132294228 /nfs/dbraw/zinc/29/42/28/132294228.db2.gz FQPQNHTXQNWJHG-UHFFFAOYSA-N 0 3 412.530 4.126 50 0 HIAAHN Cc1ccc(C)c(N2CCN(c3c4ccccc4oc(=O)c3CN3CCCC3)CC2)c1 ZINC000007504117 132324821 /nfs/dbraw/zinc/32/48/21/132324821.db2.gz VSPQWJKGTHZDHZ-UHFFFAOYSA-N 0 3 417.553 4.332 50 0 HIAAHN CCOc1cc(CNCCN(C)C)cc(Br)c1OCc1ccccc1C ZINC000040720448 520714863 /nfs/dbraw/zinc/71/48/63/520714863.db2.gz OSKRJRVMSVHRAY-UHFFFAOYSA-N 0 3 421.379 4.386 50 0 HIAAHN CCN1CCC[C@@H]1CNCc1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040720691 521638907 /nfs/dbraw/zinc/63/89/07/521638907.db2.gz CWQRKZGZASEJAH-OAQYLSRUSA-N 0 3 415.965 4.240 50 0 HIAAHN CCN1CCN(CCOc2ccc3cc(-c4ccc(Cl)cc4)c(=O)oc3c2)CC1 ZINC000020573423 521683537 /nfs/dbraw/zinc/68/35/37/521683537.db2.gz RDZIXHJUVALFHN-UHFFFAOYSA-N 0 3 412.917 4.130 50 0 HIAAHN COc1cc(CNCCCCO)cc(Br)c1OCc1cccc(C)c1 ZINC000040744270 522447625 /nfs/dbraw/zinc/44/76/25/522447625.db2.gz MNVHONKXVFRTHQ-UHFFFAOYSA-N 0 3 408.336 4.207 50 0 HIAAHN C[C@H](O)CNCc1cc(Br)ccc1OCc1ccc(F)cc1Cl ZINC000040744037 525782361 /nfs/dbraw/zinc/78/23/61/525782361.db2.gz ZSGNHMUTTAJDIH-NSHDSACASA-N 0 3 402.691 4.291 50 0 HIAAHN CSc1ccccc1CN1CCC(CNC(=O)COc2ccc(Cl)cc2)CC1 ZINC000043991388 526157781 /nfs/dbraw/zinc/15/77/81/526157781.db2.gz PQJYKKVLDQEVGD-UHFFFAOYSA-N 0 3 418.990 4.469 50 0 HIAAHN O=C(NCCN(Cc1ccco1)C1CCCC1)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575529 526295653 /nfs/dbraw/zinc/29/56/53/526295653.db2.gz KHGZDNJAVOCWMR-UHFFFAOYSA-N 0 3 402.498 4.484 50 0 HIAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000032765699 526491669 /nfs/dbraw/zinc/49/16/69/526491669.db2.gz VQXIIIBEXZOOMF-QHCPKHFHSA-N 0 3 400.526 4.317 50 0 HIAAHN COc1ccc2nc(C)cc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2c1 ZINC000006787726 537048073 /nfs/dbraw/zinc/04/80/73/537048073.db2.gz JGZSJQKBIFNHDR-UHFFFAOYSA-N 0 3 402.420 4.292 50 0 HIAAHN CN1CCC(OC(=O)C(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)CC1 ZINC000000537906 557018347 /nfs/dbraw/zinc/01/83/47/557018347.db2.gz QDGIAPPCJRFVEK-UHFFFAOYSA-N 0 3 410.297 4.415 50 0 in-man HIAAHN O=C(Nc1ccc(Cl)cc1)Nc1ccc(OC[C@@H](O)CN2CCCCC2)cc1 ZINC000004299547 557537337 /nfs/dbraw/zinc/53/73/37/557537337.db2.gz QFXJMJMXMCEUKU-IBGZPJMESA-N 0 3 403.910 4.210 50 0 HIAAHN COc1cc(CN2CCC[C@H](C(=O)N3CCCCC3)C2)ccc1OCc1ccccc1 ZINC000004745270 557591700 /nfs/dbraw/zinc/59/17/00/557591700.db2.gz VCXVLGREISECBB-QHCPKHFHSA-N 0 3 422.569 4.499 50 0 HIAAHN CCc1ccc([C@@H](CNC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)N(C)C)cc1 ZINC000022684349 557766798 /nfs/dbraw/zinc/76/67/98/557766798.db2.gz ZHOJYGHLUMBPKS-HSZRJFAPSA-N 0 3 420.553 4.324 50 0 HIAAHN CSc1ccc(C(=O)[C@H]2CCCN(Cc3ccc(OCCN(C)C)cc3)C2)cc1 ZINC000019720670 558259088 /nfs/dbraw/zinc/25/90/88/558259088.db2.gz XPCDCSADDXHTLW-NRFANRHFSA-N 0 3 412.599 4.444 50 0 HIAAHN Cc1c([C@@H](C)NC2CCN(Cc3ccccn3)CC2)cnn1-c1ccc(F)cc1F ZINC000011668180 558269975 /nfs/dbraw/zinc/26/99/75/558269975.db2.gz FPUZFZQRFMKRNP-MRXNPFEDSA-N 0 3 411.500 4.169 50 0 HIAAHN COc1ccc(CN2CCC3(C[C@@H]3C(=O)NCCCc3ccccc3)CC2)cc1OC ZINC000011782281 558274930 /nfs/dbraw/zinc/27/49/30/558274930.db2.gz UFXGDCNBPKOKTK-JOCHJYFZSA-N 0 3 422.569 4.055 50 0 HIAAHN COC[C@@H]1CCCCN1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000011817356 558280587 /nfs/dbraw/zinc/28/05/87/558280587.db2.gz KWEVTJRVAPRRQD-NRFANRHFSA-N 0 3 405.498 4.269 50 0 HIAAHN Cc1ccnc(C[C@@H](C)N2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)c1 ZINC000011821542 558284859 /nfs/dbraw/zinc/28/48/59/558284859.db2.gz MOVNOGBYUIQVEO-OAQYLSRUSA-N 0 3 421.585 4.491 50 0 HIAAHN CN1CCN(C(=O)CC[C@H]2CCCN(Cc3sc4ccccc4c3Cl)C2)CC1 ZINC000011844090 558288874 /nfs/dbraw/zinc/28/88/74/558288874.db2.gz GXLXCIVCODYYFW-QGZVFWFLSA-N 0 3 420.022 4.321 50 0 HIAAHN COCCN(C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)C(C)C ZINC000011999222 558307703 /nfs/dbraw/zinc/30/77/03/558307703.db2.gz JPMXACHRPUNHOW-UHFFFAOYSA-N 0 3 424.585 4.270 50 0 HIAAHN CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)CCc4cnccn4)C3)C2)cc1 ZINC000012052719 558314634 /nfs/dbraw/zinc/31/46/34/558314634.db2.gz QSOPSUBRLFQWCY-RUZDIDTESA-N 0 3 406.574 4.047 50 0 HIAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2cc3ccccc3[nH]2)C1 ZINC000012056379 558315931 /nfs/dbraw/zinc/31/59/31/558315931.db2.gz QFOPGACATALYJV-LJQANCHMSA-N 0 3 405.542 4.203 50 0 HIAAHN COc1cccc(NC(=O)N(C)C[C@H]2CCCN(CCc3ccccc3OC)C2)c1 ZINC000012112055 558326377 /nfs/dbraw/zinc/32/63/77/558326377.db2.gz ABJSREYYGHZJPU-LJQANCHMSA-N 0 3 411.546 4.122 50 0 HIAAHN COC(=O)c1sc2nc(CN(C)C(C)C)ccc2c1NC(=O)c1ccc(F)cc1 ZINC000012134634 558333501 /nfs/dbraw/zinc/33/35/01/558333501.db2.gz PIXRTJLSRFWCTB-UHFFFAOYSA-N 0 3 415.490 4.315 50 0 HIAAHN COC(=O)CC[C@@H](C)N1CCC(Oc2ccc(Cl)cc2C(=O)NC(C)(C)C)CC1 ZINC000012200724 558351251 /nfs/dbraw/zinc/35/12/51/558351251.db2.gz STYYZSGGFZPSHJ-OAHLLOKOSA-N 0 3 424.969 4.053 50 0 HIAAHN CN1CCC(CN(CCc2ccccc2)C(=O)c2cn3cc(Cl)ccc3n2)CC1 ZINC000012433475 558407206 /nfs/dbraw/zinc/40/72/06/558407206.db2.gz JPUFMSOMGPYHIA-UHFFFAOYSA-N 0 3 410.949 4.014 50 0 HIAAHN CN(C[C@@H]1CCCN(CCc2ccc(F)cc2)C1)C(=O)c1cn(C)c2ccccc12 ZINC000012434622 558408651 /nfs/dbraw/zinc/40/86/51/558408651.db2.gz MOELUZHLPAJFFC-FQEVSTJZSA-N 0 3 407.533 4.344 50 0 HIAAHN CN(C[C@@H]1CCCN1C)C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12 ZINC000012440293 558411424 /nfs/dbraw/zinc/41/14/24/558411424.db2.gz WIMOQNNYGHSPBT-HNNXBMFYSA-N 0 3 422.476 4.248 50 0 HIAAHN O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2cccc(O)c2)CC1 ZINC000012448833 558415567 /nfs/dbraw/zinc/41/55/67/558415567.db2.gz FAPLJUXKNSNVMW-UHFFFAOYSA-N 0 3 403.482 4.430 50 0 HIAAHN CC[C@H](CO)NCc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020873828 558418382 /nfs/dbraw/zinc/41/83/82/558418382.db2.gz HKXYEMWPZLNGNK-QGZVFWFLSA-N 0 3 408.336 4.206 50 0 HIAAHN COc1ccc(CN2CCC(CO)(Cc3ccc(Cl)cc3)CC2)c(OC)c1C ZINC000012465603 558420419 /nfs/dbraw/zinc/42/04/19/558420419.db2.gz ZGVGFVIOYTVILF-UHFFFAOYSA-N 0 3 403.950 4.483 50 0 HIAAHN CN(C)CCNC(=O)c1cc(-c2cccs2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000004345118 558427227 /nfs/dbraw/zinc/42/72/27/558427227.db2.gz ORQHMQZQSGJSJQ-UHFFFAOYSA-N 0 3 409.342 4.199 50 0 HIAAHN Cc1ccc2nc(C)c(CCN3CCC(c4noc5cc(F)ccc54)CC3)c(=O)n2c1 ZINC000022063671 558461126 /nfs/dbraw/zinc/46/11/26/558461126.db2.gz UVJBJGOMUWKXDI-UHFFFAOYSA-N 0 3 420.488 4.014 50 0 in-vitro HIAAHN CC(C)[C@H](NCC(=O)N1CC=C(c2ccccc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000012794655 558467729 /nfs/dbraw/zinc/46/77/29/558467729.db2.gz NVKOOQUKXFJGOP-SANMLTNESA-N 0 3 420.553 4.451 50 0 HIAAHN CCOc1ccccc1-c1nc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000023076376 558533183 /nfs/dbraw/zinc/53/31/83/558533183.db2.gz HSEGYZMMIDVLQO-IBGZPJMESA-N 0 3 421.566 4.142 50 0 HIAAHN Clc1ccc(COc2ccc3ccccc3c2CNCCN2CCOCC2)cc1 ZINC000023469460 558559221 /nfs/dbraw/zinc/55/92/21/558559221.db2.gz XFBFCRRVUBGEKB-UHFFFAOYSA-N 0 3 410.945 4.494 50 0 HIAAHN COc1cc(CN[C@@H](C)c2ccccc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717743 558580343 /nfs/dbraw/zinc/58/03/43/558580343.db2.gz LTSGTJOCVVTLNN-KRWDZBQOSA-N 0 3 401.470 4.314 50 0 HIAAHN CC[C@H](CO)NCc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730654 558586454 /nfs/dbraw/zinc/58/64/54/558586454.db2.gz MLSCJTPGUAPRCP-LLVKDONJSA-N 0 3 403.114 4.332 50 0 HIAAHN COc1cccc([C@H](CNC(=O)Cc2c(C)[nH]c3ccc(F)cc32)N2CCCC2)c1 ZINC000024537694 558600657 /nfs/dbraw/zinc/60/06/57/558600657.db2.gz HFBPUZDLKSCIDV-QHCPKHFHSA-N 0 3 409.505 4.120 50 0 HIAAHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc2c(c1)NC(=O)CCS2 ZINC000014181116 558628299 /nfs/dbraw/zinc/62/82/99/558628299.db2.gz UIJRZINMRYYAHY-UHFFFAOYSA-N 0 3 409.555 4.037 50 0 HIAAHN O[C@H](CO[C@@H]1CCCc2ccccc21)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000014200935 558636541 /nfs/dbraw/zinc/63/65/41/558636541.db2.gz OAKOVNVYZPJBSD-MDNUFGMLSA-N 0 3 409.526 4.050 50 0 HIAAHN CC(=O)NC[C@H]1CCC2(CCN(Cc3ccc(-c4ccccc4Cl)o3)CC2)O1 ZINC000014879702 558675663 /nfs/dbraw/zinc/67/56/63/558675663.db2.gz XQHOMTPEOHYFQB-QGZVFWFLSA-N 0 3 402.922 4.250 50 0 HIAAHN Cc1ncoc1C(=O)N(C)C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 ZINC000014963108 558684757 /nfs/dbraw/zinc/68/47/57/558684757.db2.gz VJLUANJOYHOHCP-KRWDZBQOSA-N 0 3 409.452 4.029 50 0 HIAAHN O=C(NCc1ccco1)[C@@H]1CC12CCN(Cc1cnc(-c3ccccc3)s1)CC2 ZINC000014972897 558688171 /nfs/dbraw/zinc/68/81/71/558688171.db2.gz VEYUPGOKUZOIBL-FQEVSTJZSA-N 0 3 407.539 4.322 50 0 HIAAHN O=C(NC[C@@H]1CCCN(Cc2ccc3c(c2)CCO3)C1)c1cccc2ccccc21 ZINC000014975033 558689055 /nfs/dbraw/zinc/68/90/55/558689055.db2.gz IREOIFBXDWDDOB-FQEVSTJZSA-N 0 3 400.522 4.417 50 0 HIAAHN CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NCc2ccc(N3CCNC3=O)cc2)C1 ZINC000015066451 558709476 /nfs/dbraw/zinc/70/94/76/558709476.db2.gz FCMWGWFVFZACIG-QFIPXVFZSA-N 0 3 415.541 4.205 50 0 HIAAHN COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(Cc4cc(C)[nH]n4)C3)cc2)c1 ZINC000015935058 558762955 /nfs/dbraw/zinc/76/29/55/558762955.db2.gz MSSFTQMFPUPUOQ-FQEVSTJZSA-N 0 3 404.514 4.244 50 0 HIAAHN O[C@H](COCc1ccc2c(c1)OCO2)CN1CCc2sccc2[C@H]1c1ccccc1 ZINC000034675306 558782862 /nfs/dbraw/zinc/78/28/62/558782862.db2.gz BQWNDSDANVLCTC-YADARESESA-N 0 3 423.534 4.002 50 0 HIAAHN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)cc1)N(CCCN(C)C)C3=O ZINC000016749921 558804396 /nfs/dbraw/zinc/80/43/96/558804396.db2.gz PUWSUPXZCGWGKO-FQEVSTJZSA-N 0 3 410.901 4.252 50 0 HIAAHN O=C(CSc1ccc(Br)cc1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000032983791 558804749 /nfs/dbraw/zinc/80/47/49/558804749.db2.gz ILMSSFDTBIJVPM-LJQANCHMSA-N 0 3 419.388 4.495 50 0 HIAAHN CCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccc(Cl)c(Cl)c1 ZINC000018024422 558829638 /nfs/dbraw/zinc/82/96/38/558829638.db2.gz XOGPKSZIPVZNBU-SQNIBIBYSA-N 0 3 405.281 4.472 50 0 HIAAHN COc1ccc(-c2noc(CN3CCC(c4nc5ccc(F)cc5[nH]4)CC3)n2)cc1 ZINC000019112989 558841944 /nfs/dbraw/zinc/84/19/44/558841944.db2.gz VJDONHQOLBKVKF-UHFFFAOYSA-N 0 3 407.449 4.140 50 0 HIAAHN O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCN(Cc2cc(CN3CCCC3)cs2)C1 ZINC000019147242 558846820 /nfs/dbraw/zinc/84/68/20/558846820.db2.gz IRUYZCJNRVABLB-LJQANCHMSA-N 0 3 412.555 4.168 50 0 HIAAHN O=C(CC[C@@H]1CCCN(Cc2cccn2-c2ccccn2)C1)NCc1ccccc1F ZINC000019228547 558853193 /nfs/dbraw/zinc/85/31/93/558853193.db2.gz PHVRCUWRYUBLOS-FQEVSTJZSA-N 0 3 420.532 4.320 50 0 HIAAHN COc1cc(CN2CCN(Cc3cccc4ccccc43)CC2)cc(OC)c1OC ZINC000019361453 558876323 /nfs/dbraw/zinc/87/63/23/558876323.db2.gz CURQMIIPDRPYQZ-UHFFFAOYSA-N 0 3 406.526 4.183 50 0 HIAAHN CCCN1CCN(c2ncnc3sc(C(=O)Nc4cc(C)cc(C)c4)c(C)c32)CC1 ZINC000033048429 558885710 /nfs/dbraw/zinc/88/57/10/558885710.db2.gz NBTAHIQBFNDMQO-UHFFFAOYSA-N 0 3 423.586 4.401 50 0 HIAAHN Cc1cccc(CN2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n1 ZINC000019606879 558946598 /nfs/dbraw/zinc/94/65/98/558946598.db2.gz BMQMRVBRFHXKMC-JOCHJYFZSA-N 0 3 418.507 4.195 50 0 HIAAHN C[C@H]1CN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CCN1C ZINC000072454122 558982972 /nfs/dbraw/zinc/98/29/72/558982972.db2.gz UUCVOCBKPDJKKM-IBGZPJMESA-N 0 3 400.526 4.481 50 0 HIAAHN CC(C)[C@](C)(N)C(=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067712678 558991683 /nfs/dbraw/zinc/99/16/83/558991683.db2.gz SGQFRVMIPCTHBZ-VWLOTQADSA-N 0 3 403.526 4.113 50 0 HIAAHN CCc1ccc(CN2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)nc1 ZINC000095504322 559082892 /nfs/dbraw/zinc/08/28/92/559082892.db2.gz XNAUAIVXNZKTLM-GOSISDBHSA-N 0 3 401.501 4.231 50 0 HIAAHN Cc1cc(C)cc(-n2ccnc2SCC(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000011544195 559089624 /nfs/dbraw/zinc/08/96/24/559089624.db2.gz ZFOQSFSTEKJPQT-NRFANRHFSA-N 0 3 408.571 4.000 50 0 HIAAHN CN(C)CCNC(=O)c1ccc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000033559459 559212683 /nfs/dbraw/zinc/21/26/83/559212683.db2.gz ARQDVUQNQUHXEB-UHFFFAOYSA-N 0 3 414.509 4.100 50 0 HIAAHN CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(OC)c(OC)c3)=NN12 ZINC000005091872 559243921 /nfs/dbraw/zinc/24/39/21/559243921.db2.gz VGSRHLPIAYRICC-HXUWFJFHSA-N 0 3 407.514 4.059 50 0 HIAAHN CCn1c(C)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c2cc(OC)ccc21 ZINC000005345739 560570004 /nfs/dbraw/zinc/57/00/04/560570004.db2.gz HNSCGHMIZSQVIY-UHFFFAOYSA-N 0 3 405.542 4.373 50 0 HIAAHN CN(C)CCCn1cnc2c(c1=N)[C@@H](c1ccco1)c1ccc3ccccc3c1O2 ZINC000005348931 560571058 /nfs/dbraw/zinc/57/10/58/560571058.db2.gz XKRPATCITJLXKG-HXUWFJFHSA-N 0 3 400.482 4.346 50 0 HIAAHN Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)C2ON1c1ccccc1 ZINC000018046012 560774376 /nfs/dbraw/zinc/77/43/76/560774376.db2.gz ILPVRDSCXQFLTK-VSKRKVRLSA-N 0 3 402.425 4.185 50 0 HIAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000102690789 560819952 /nfs/dbraw/zinc/81/99/52/560819952.db2.gz AXIORQHCBDQORL-BHIFYINESA-N 0 3 418.449 4.120 50 0 HIAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C1=O ZINC000102749751 560824301 /nfs/dbraw/zinc/82/43/01/560824301.db2.gz NDIWNNJWRZVTDL-PWRODBHTSA-N 0 3 419.868 4.095 50 0 HIAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@@H]3C2=O)cc1 ZINC000102761592 560826381 /nfs/dbraw/zinc/82/63/81/560826381.db2.gz FSJBFYBIIHAIFO-RJGXRXQPSA-N 0 3 414.461 4.055 50 0 HIAAHN CCn1c(C)cc(O)c([C@@H](c2ccncc2)N2CCC(Cc3ccccc3)CC2)c1=O ZINC000022697494 568415474 /nfs/dbraw/zinc/41/54/74/568415474.db2.gz XADVNVSMIIGJQM-RUZDIDTESA-N 0 3 417.553 4.321 50 0 HIAAHN COc1cccc(OC)c1C(=O)C1CC(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000046057928 568426358 /nfs/dbraw/zinc/42/63/58/568426358.db2.gz MDZWWZDJGDBEKW-ZDUSSCGKSA-N 0 3 411.845 4.056 50 0 HIAAHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000048341243 568440401 /nfs/dbraw/zinc/44/04/01/568440401.db2.gz MNNOYICWPVJMDY-HZSPNIEDSA-N 0 3 424.916 4.385 50 0 HIAAHN CCOc1ccc(CN[C@H]2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)C2)cc1 ZINC000049421020 568450423 /nfs/dbraw/zinc/45/04/23/568450423.db2.gz YQBLYEZDDAEWGS-QFIPXVFZSA-N 0 3 416.525 4.101 50 0 HIAAHN CSc1ccccc1CN1CCC(CNC(=O)c2c(C)nc3ccccn32)CC1 ZINC000049523412 568452322 /nfs/dbraw/zinc/45/23/22/568452322.db2.gz IWVSZHLMRMXVNT-UHFFFAOYSA-N 0 3 408.571 4.007 50 0 HIAAHN CN(C)CCN(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)C(C)(C)C ZINC000006695968 568457494 /nfs/dbraw/zinc/45/74/94/568457494.db2.gz UBTSCKSLYRQVDK-UHFFFAOYSA-N 0 3 418.626 4.064 50 0 HIAAHN COc1cc(CNC[C@H](c2ccco2)N(C)C)ccc1OCc1csc(C)n1 ZINC000022786837 568499667 /nfs/dbraw/zinc/49/96/67/568499667.db2.gz RJFJVZAREDHYSS-GOSISDBHSA-N 0 3 401.532 4.025 50 0 HIAAHN CC(C)CC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000020762626 568642659 /nfs/dbraw/zinc/64/26/59/568642659.db2.gz DOFKULVNRMZKAN-KNQAVFIVSA-N 0 3 423.605 4.101 50 0 HIAAHN CC(C)[S@](=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)cc1 ZINC000225758964 568671907 /nfs/dbraw/zinc/67/19/07/568671907.db2.gz MTFBKAWOTQJTNJ-ZTOMLWHTSA-N 0 3 412.599 4.233 50 0 HIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4C)[C@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000229969109 568716447 /nfs/dbraw/zinc/71/64/47/568716447.db2.gz OQMSVMBTGWOPNJ-PWRODBHTSA-N 0 3 420.490 4.116 50 0 HIAAHN CN1CCCN(c2nc(-c3ccc(F)cc3)nc3nc(-c4ccccc4)oc32)CC1 ZINC000096346501 568737844 /nfs/dbraw/zinc/73/78/44/568737844.db2.gz FMRINDUXYMQJAM-UHFFFAOYSA-N 0 3 403.461 4.233 50 0 HIAAHN CCC[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000096775038 568764531 /nfs/dbraw/zinc/76/45/31/568764531.db2.gz BGOFGNTZSGJLKH-KURKYZTESA-N 0 3 405.281 4.472 50 0 HIAAHN N=c1n(CCN2CCCCC2)c2ccccc2n1C[C@@H](O)c1cccc2ccccc21 ZINC000001196848 568823007 /nfs/dbraw/zinc/82/30/07/568823007.db2.gz KBGIOFMNKUTCLO-RUZDIDTESA-N 0 3 414.553 4.295 50 0 HIAAHN CCOc1ccc([C@H](O)CN2CCC(c3nc(-c4ccc(OC)cc4)no3)CC2)cc1 ZINC000057509319 568847672 /nfs/dbraw/zinc/84/76/72/568847672.db2.gz XRUCZIHRADFUAE-JOCHJYFZSA-N 0 3 423.513 4.057 50 0 HIAAHN CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCN(C)C ZINC000004027900 568878362 /nfs/dbraw/zinc/87/83/62/568878362.db2.gz CKUCLCVBSKPSGB-CPLSZTBBSA-N 0 3 408.627 4.098 50 0 biogenic HIAAHN COc1ccccc1CNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000031033318 568909936 /nfs/dbraw/zinc/90/99/36/568909936.db2.gz SHPSWBNGTVOHHF-UHFFFAOYSA-N 0 3 403.526 4.423 50 0 HIAAHN CCN1C[C@H](CN(C)Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CC1=O ZINC000012717476 568917902 /nfs/dbraw/zinc/91/79/02/568917902.db2.gz JHWQMNBODWCIEA-IBGZPJMESA-N 0 3 420.532 4.287 50 0 HIAAHN Cc1ccc2nc(N(Cc3cccnc3)C(=O)C3COc4ccccc4O3)sc2c1 ZINC000004273161 568957613 /nfs/dbraw/zinc/95/76/13/568957613.db2.gz WYYKGYLFLBDUCM-HXUWFJFHSA-N 0 3 417.490 4.373 50 0 HIAAHN COc1ccc([C@@H](CNC(=O)Cc2c(C)nc3ccccc3c2C)N2CCCC2)cc1 ZINC000008156743 568978269 /nfs/dbraw/zinc/97/82/69/568978269.db2.gz ZPKXROOPRCQIOZ-RUZDIDTESA-N 0 3 417.553 4.356 50 0 HIAAHN CCOc1c(Br)cc(CN[C@@H](C)[C@@H]2CCCO2)cc1Br ZINC000035273764 569016765 /nfs/dbraw/zinc/01/67/65/569016765.db2.gz OUWLEZKNMITPMX-HZMBPMFUSA-N 0 3 407.146 4.267 50 0 HIAAHN CN(CCN1C(=O)c2ccccc2C1=O)CC1c2ccccc2CCc2ccccc21 ZINC000006178199 569017588 /nfs/dbraw/zinc/01/75/88/569017588.db2.gz BMSHGDCCPZREMI-UHFFFAOYSA-N 0 3 410.517 4.145 50 0 HIAAHN CCN(CC)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000012927700 569024024 /nfs/dbraw/zinc/02/40/24/569024024.db2.gz JXWJDGDNNAEWFI-GMAHTHKFSA-N 0 3 422.573 4.130 50 0 HIAAHN COc1ccc(OCCN[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000016047201 569028288 /nfs/dbraw/zinc/02/82/88/569028288.db2.gz BPLIUYUPSGGOIT-ZIAGYGMSSA-N 0 3 411.329 4.236 50 0 HIAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](CC(C)C)[C@H]3C2=O)cc1 ZINC000245327739 569056035 /nfs/dbraw/zinc/05/60/35/569056035.db2.gz PVHNACHDIDKRKZ-YPAWHYETSA-N 0 3 408.498 4.200 50 0 HIAAHN COc1ccc2c(c1)c(CN1CCC(C(=O)NCCCc3ccccc3)CC1)cn2C ZINC000064669649 569078840 /nfs/dbraw/zinc/07/88/40/569078840.db2.gz HZHVLSONTHZXFY-UHFFFAOYSA-N 0 3 419.569 4.148 50 0 HIAAHN COc1ccc(OC[C@@H](O)CN(CCC(C)C)Cc2cccc(OC)c2OC)cc1 ZINC000036097298 569090229 /nfs/dbraw/zinc/09/02/29/569090229.db2.gz XHOCIZKGRUWAFJ-FQEVSTJZSA-N 0 3 417.546 4.000 50 0 HIAAHN Cc1ccccc1CN(Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1ccccc1 ZINC000036104594 569092718 /nfs/dbraw/zinc/09/27/18/569092718.db2.gz OHYUMLHDTMRCHL-JOCHJYFZSA-N 0 3 405.494 4.166 50 0 HIAAHN CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N(CC)CC)CC(C)C ZINC000036208287 569109808 /nfs/dbraw/zinc/10/98/08/569109808.db2.gz LZVMLXRYDDYAAL-FQEVSTJZSA-N 0 3 403.567 4.043 50 0 HIAAHN CCCN(CCC)CCNC(=O)c1ccc(C[S@@](=O)c2ccc(Cl)cc2)o1 ZINC000006895572 569175395 /nfs/dbraw/zinc/17/53/95/569175395.db2.gz MHFWFFMAQUEAOP-MHZLTWQESA-N 0 3 410.967 4.093 50 0 HIAAHN O[C@@H](COCc1ccc2c(c1)OCO2)CN1CCc2sccc2[C@H]1c1ccccc1 ZINC000036430628 569182394 /nfs/dbraw/zinc/18/23/94/569182394.db2.gz BQWNDSDANVLCTC-NTKDMRAZSA-N 0 3 423.534 4.002 50 0 HIAAHN Cc1cc(NC(=O)CN(C2CCC2)C(C)(C)c2ccc(Br)cc2)n(C)n1 ZINC000170601537 569243145 /nfs/dbraw/zinc/24/31/45/569243145.db2.gz IPVJEQDXTNDWIC-UHFFFAOYSA-N 0 3 419.367 4.219 50 0 HIAAHN Cc1nc2c(n1[C@H]1CCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)C1)CCCC2 ZINC000170616699 569247610 /nfs/dbraw/zinc/24/76/10/569247610.db2.gz FBPQUYHVPWLHRL-SFHVURJKSA-N 0 3 422.554 4.370 50 0 HIAAHN O=C(Nc1cc(C(=O)NC2CCN(C3CC3)CC2)ccc1Cl)c1cccs1 ZINC000014528305 569260432 /nfs/dbraw/zinc/26/04/32/569260432.db2.gz IHBDYKCSUXFEAR-UHFFFAOYSA-N 0 3 403.935 4.010 50 0 HIAAHN O=C(CCN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)Nc1cccc(F)c1 ZINC000089775159 569263516 /nfs/dbraw/zinc/26/35/16/569263516.db2.gz GARVGHMLXVZLFX-INIZCTEOSA-N 0 3 412.440 4.223 50 0 HIAAHN COc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCCCC2)cc1 ZINC000016993883 569270881 /nfs/dbraw/zinc/27/08/81/569270881.db2.gz QXHDSRZFXWWRPF-HSZRJFAPSA-N 0 3 408.498 4.088 50 0 HIAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1Cn1nnc2ccccc21 ZINC000002100980 569281363 /nfs/dbraw/zinc/28/13/63/569281363.db2.gz RXFOOPNQCJKEGN-XMMPIXPASA-N 0 3 409.493 4.205 50 0 biogenic HIAAHN CCC(CC)(CC(=O)OC)NCC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000079068503 569426672 /nfs/dbraw/zinc/42/66/72/569426672.db2.gz URVQAJMQRHJQFC-UHFFFAOYSA-N 0 3 415.559 4.024 50 0 HIAAHN COc1ccc([C@H](CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)N(C)C)cc1 ZINC000008749002 571111474 /nfs/dbraw/zinc/11/14/74/571111474.db2.gz IZXKBMKCZBSJGM-FQEVSTJZSA-N 0 3 423.538 4.042 50 0 HIAAHN COc1ccc(NC(=O)[C@@H]2C[C@H](CC(C)C)N[C@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000009043689 571215224 /nfs/dbraw/zinc/21/52/24/571215224.db2.gz CLFJDEZIXUJXCH-CTIGNXTNSA-N 0 3 421.541 4.122 50 0 HIAAHN COc1ccc(CN2CCCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc1 ZINC000009640495 571275631 /nfs/dbraw/zinc/27/56/31/571275631.db2.gz IXOZTHWBRXTOJT-UHFFFAOYSA-N 0 3 408.571 4.291 50 0 HIAAHN CN(CCCNC(=O)c1c[nH]c2ccc(Br)cc12)Cc1ccccc1 ZINC000009983597 571293547 /nfs/dbraw/zinc/29/35/47/571293547.db2.gz ZWQUYAGVSFJKNE-UHFFFAOYSA-N 0 3 400.320 4.182 50 0 HIAAHN Cc1c(=O)c2cccc(C(=O)NC3CCN(C(C)C)CC3)c2oc1-c1ccccc1 ZINC000010125652 571295343 /nfs/dbraw/zinc/29/53/43/571295343.db2.gz AAYDIZJYJJLUSD-UHFFFAOYSA-N 0 3 404.510 4.371 50 0 HIAAHN COc1cccc(C(=O)NC[C@@H](c2cccc3ccccc32)N2CCCC2)c1OC ZINC000010330559 571300473 /nfs/dbraw/zinc/30/04/73/571300473.db2.gz LRQDEZRJUMWORR-QFIPXVFZSA-N 0 3 404.510 4.424 50 0 HIAAHN O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3cccc(OC4CCCC4)c3)N3CCC[C@@]123 ZINC000012449110 845871349 /nfs/dbraw/zinc/87/13/49/845871349.db2.gz LYHXVMHREVSOLG-CVJWPJSTSA-N 0 3 417.553 4.341 50 0 HIAAHN Cc1nnc(-c2cccc(NC(=O)C3CCN(Cc4cccc(C)n4)CC3)c2)s1 ZINC000015074896 846006515 /nfs/dbraw/zinc/00/65/15/846006515.db2.gz CJWRWTPSOIEBRU-UHFFFAOYSA-N 0 3 407.543 4.068 50 0 HIAAHN CN1CCCN(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000033770949 848138706 /nfs/dbraw/zinc/13/87/06/848138706.db2.gz IXRQNOGXPHZFSO-RAXLEYEMSA-N 0 3 420.944 4.370 50 0 HIAAHN O=C(NC1CC1)c1ccccc1OC[C@@H]1CCCN(CC2=Cc3ccccc3OC2)C1 ZINC000169774383 853662082 /nfs/dbraw/zinc/66/20/82/853662082.db2.gz FWPOFLKSEZANJD-LJQANCHMSA-N 0 3 418.537 4.146 50 0 HIAAHN CCOc1ccccc1CN1CCC2(CC1)C[C@H](Cc1nc(C3CC3)no1)CCO2 ZINC000575545597 948676383 /nfs/dbraw/zinc/67/63/83/948676383.db2.gz LIVJJMIOWJSHBG-SFHVURJKSA-N 0 3 411.546 4.350 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)CC1 ZINC000003388228 132265530 /nfs/dbraw/zinc/26/55/30/132265530.db2.gz GGXSFFGFIZRTTA-UHFFFAOYSA-N 0 3 422.754 4.497 50 0 HIAAHN Cc1nn2c(nc(C)cc2N2CCN(CCc3ccccc3)CC2)c1-c1ccccc1 ZINC000005562725 132306848 /nfs/dbraw/zinc/30/68/48/132306848.db2.gz FHSZNHBZEAJGHV-UHFFFAOYSA-N 0 3 411.553 4.378 50 0 HIAAHN CC(C)Oc1ccc(Cl)cc1CNCCCSc1nnnn1-c1ccccc1 ZINC000040730402 519780049 /nfs/dbraw/zinc/78/00/49/519780049.db2.gz QMHUKSSEIVHFIE-UHFFFAOYSA-N 0 3 417.966 4.375 50 0 HIAAHN CCOc1cc(CNCCOCCO)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000040742265 520715902 /nfs/dbraw/zinc/71/59/02/520715902.db2.gz KICMUEUCGCIOAO-UHFFFAOYSA-N 0 3 414.329 4.070 50 0 HIAAHN CC1CCN([C@H](CNC(=O)N2CCN(c3ccccc3)CC2)c2cccs2)CC1 ZINC000017126213 521036638 /nfs/dbraw/zinc/03/66/38/521036638.db2.gz HIOPLALDVZELPB-OAQYLSRUSA-N 0 3 412.603 4.053 50 0 HIAAHN CN(C)CCNC(=O)c1sc2c(cnc3cc4c(cc23)OCO4)c1-c1ccccc1 ZINC000045943735 521787172 /nfs/dbraw/zinc/78/71/72/521787172.db2.gz FYLZXRDPKUKPOO-UHFFFAOYSA-N 0 3 419.506 4.137 50 0 HIAAHN COc1cc(CN[C@H](C)c2cccc(Cl)c2)ccc1OCC(=O)N1CCCC1 ZINC000025359316 522485157 /nfs/dbraw/zinc/48/51/57/522485157.db2.gz FXUHIKHUMGGKOX-MRXNPFEDSA-N 0 3 402.922 4.201 50 0 HIAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)Cc2csc(C(C)=O)c2)C1 ZINC000020543125 524410220 /nfs/dbraw/zinc/41/02/20/524410220.db2.gz FXXKJGNKAPFMBU-IBGZPJMESA-N 0 3 400.588 4.346 50 0 HIAAHN COc1ccc(N[C@H]2CCCN(Cc3cn(C)nc3-c3ccccc3)C2)cc1OC ZINC000020587021 524711381 /nfs/dbraw/zinc/71/13/81/524711381.db2.gz MHSWJRHOZNSLLL-NRFANRHFSA-N 0 3 406.530 4.181 50 0 HIAAHN C[C@H](NC[C@H](O)COc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000032899649 525408845 /nfs/dbraw/zinc/40/88/45/525408845.db2.gz UMGKXKDMRMOBMO-ICSRJNTNSA-N 0 3 421.493 4.341 50 0 HIAAHN Cc1c2cccc(Cl)c2oc1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000032933054 525972698 /nfs/dbraw/zinc/97/26/98/525972698.db2.gz LBUHFZOWAXHUJN-UHFFFAOYSA-N 0 3 411.933 4.072 50 0 HIAAHN Cc1nn(-c2ncccn2)c2c1C(C(=O)c1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000032094198 527572632 /nfs/dbraw/zinc/57/26/32/527572632.db2.gz ZWRLHAPJEPAPBC-NSHDSACASA-N 0 3 402.241 4.236 50 0 HIAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3)=NN12 ZINC000000934777 557120155 /nfs/dbraw/zinc/12/01/55/557120155.db2.gz HWUDVBHHSWCXAL-LJQANCHMSA-N 0 3 412.331 4.415 50 0 HIAAHN CCCOc1ccc(N2C(=O)C[C@H](NCCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000002730004 557371657 /nfs/dbraw/zinc/37/16/57/557371657.db2.gz JPBWWFZMLWEPJQ-IBGZPJMESA-N 0 3 421.324 4.246 50 0 HIAAHN CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1 ZINC000003800054 557498716 /nfs/dbraw/zinc/49/87/16/557498716.db2.gz JHLHNYVMZCADTC-LOSJGSFVSA-N 0 3 414.549 4.085 50 0 investigational HIAAHN CCN(CC)CCn1c2ccccc2n(CC(=O)C23CC4CC(CC(C4)C2)C3)c1=N ZINC000003880250 557502443 /nfs/dbraw/zinc/50/24/43/557502443.db2.gz WARFEGRZQXZDJF-UHFFFAOYSA-N 0 3 408.590 4.050 50 0 HIAAHN CCOc1cc(CNCCO)cc(Br)c1OCc1ccccc1Cl ZINC000004670732 557579306 /nfs/dbraw/zinc/57/93/06/557579306.db2.gz XUTNMIQLYHXVJH-UHFFFAOYSA-N 0 3 414.727 4.162 50 0 HIAAHN C/C(=C\c1ccccc1)CN1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000004725547 557587283 /nfs/dbraw/zinc/58/72/83/557587283.db2.gz UVOJUNHNGQFBQG-BSYVCWPDSA-N 0 3 417.597 4.146 50 0 HIAAHN COc1ccc(CN2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c(F)c1 ZINC000019720777 558259101 /nfs/dbraw/zinc/25/91/01/558259101.db2.gz BLDSWPNZLHUZGC-OAQYLSRUSA-N 0 3 417.956 4.274 50 0 HIAAHN Cn1cc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c2ccccc21 ZINC000011664927 558268484 /nfs/dbraw/zinc/26/84/84/558268484.db2.gz FYRPLXJGNHNKLC-UHFFFAOYSA-N 0 3 417.553 4.458 50 0 HIAAHN COc1ccc(CNC(=O)CC[C@@H]2CCCN(C/C=C/c3ccco3)C2)c(OC)c1 ZINC000011754186 558272724 /nfs/dbraw/zinc/27/27/24/558272724.db2.gz KSUDMZGJPFSLNX-QTWIXLPOSA-N 0 3 412.530 4.119 50 0 HIAAHN CCn1c2ccccc2c2cc(CN3CCC(=O)N(Cc4ccncc4)CC3)ccc21 ZINC000011786138 558276195 /nfs/dbraw/zinc/27/61/95/558276195.db2.gz HWYPMXMGBVYVRU-UHFFFAOYSA-N 0 3 412.537 4.444 50 0 HIAAHN NC(=O)[C@@H]1CCCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000011841294 558286980 /nfs/dbraw/zinc/28/69/80/558286980.db2.gz XRXMVPVBVPXAIG-HXUWFJFHSA-N 0 3 414.509 4.042 50 0 HIAAHN NC(=O)[C@H]1CCCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000011841296 558286997 /nfs/dbraw/zinc/28/69/97/558286997.db2.gz XRXMVPVBVPXAIG-FQEVSTJZSA-N 0 3 414.509 4.042 50 0 HIAAHN CN1CCN(C(=O)CC[C@@H]2CCCN(Cc3sc4ccccc4c3Cl)C2)CC1 ZINC000011844089 558288836 /nfs/dbraw/zinc/28/88/36/558288836.db2.gz GXLXCIVCODYYFW-KRWDZBQOSA-N 0 3 420.022 4.321 50 0 HIAAHN COCCNC(=O)c1cccc(OC2CCN(CC[C@H](C)c3ccc(C)o3)CC2)c1 ZINC000011844126 558288910 /nfs/dbraw/zinc/28/89/10/558288910.db2.gz MBFLTURMHLROMS-SFHVURJKSA-N 0 3 414.546 4.001 50 0 HIAAHN CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)Cc1cc(F)cc(F)c1 ZINC000011844429 558288949 /nfs/dbraw/zinc/28/89/49/558288949.db2.gz WJXZRFQANGRSFG-UHFFFAOYSA-N 0 3 404.476 4.060 50 0 HIAAHN O=C(NC1CCCC1)c1ccc(OC2CCN([C@@H]3CCSC3)CC2)c(Cl)c1 ZINC000011873423 558291309 /nfs/dbraw/zinc/29/13/09/558291309.db2.gz FSFLHNGZBXNAIY-QGZVFWFLSA-N 0 3 408.995 4.361 50 0 HIAAHN COc1ccc(CN2CCC(N3C[C@@H](C)O[C@H](C)C3)CC2)cc1OCc1ccccc1 ZINC000019889052 558302430 /nfs/dbraw/zinc/30/24/30/558302430.db2.gz WIDPDFCJYLWUFS-NHCUHLMSSA-N 0 3 424.585 4.348 50 0 HIAAHN C[C@@H]1CN(CCC(=O)NCc2nc(-c3ccccc3)cs2)Cc2ccccc2O1 ZINC000011995623 558306619 /nfs/dbraw/zinc/30/66/19/558306619.db2.gz JBZDAJNVXWCFEY-QGZVFWFLSA-N 0 3 407.539 4.100 50 0 HIAAHN COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000011997449 558307296 /nfs/dbraw/zinc/30/72/96/558307296.db2.gz VUORXJCEAPCQMS-JOCHJYFZSA-N 0 3 420.553 4.416 50 0 HIAAHN O=C(CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000019962145 558315812 /nfs/dbraw/zinc/31/58/12/558315812.db2.gz QKHVYJIOYSSPFU-JOCHJYFZSA-N 0 3 410.477 4.196 50 0 HIAAHN COCC1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000012111778 558326085 /nfs/dbraw/zinc/32/60/85/558326085.db2.gz BJONWZIZBBKILM-UHFFFAOYSA-N 0 3 419.525 4.186 50 0 HIAAHN O=C(CC1C(=O)N(C2CCCCC2)c2nc3ccccc3n21)Nc1ccc(F)cc1 ZINC000020103499 558332585 /nfs/dbraw/zinc/33/25/85/558332585.db2.gz DCZZTRZIOXZTHM-HXUWFJFHSA-N 0 3 406.461 4.425 50 0 HIAAHN O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1cc(F)cc(F)c1 ZINC000012204775 558352354 /nfs/dbraw/zinc/35/23/54/558352354.db2.gz PYYYTBOJZZJEGD-KRWDZBQOSA-N 0 3 422.859 4.018 50 0 HIAAHN c1[nH]nc(C2CCCCC2)c1CN1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020449651 558364875 /nfs/dbraw/zinc/36/48/75/558364875.db2.gz ZFHKXAXHLIVYKM-DEOSSOPVSA-N 0 3 407.606 4.244 50 0 HIAAHN Clc1ccc(-c2noc(CN3CCCN(C4Cc5ccccc5C4)CC3)n2)cc1 ZINC000020455857 558369469 /nfs/dbraw/zinc/36/94/69/558369469.db2.gz JVYDSUZGTNVTGV-UHFFFAOYSA-N 0 3 408.933 4.065 50 0 HIAAHN COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(Cc3ccc(SC)cc3)C2)c1 ZINC000012300515 558370426 /nfs/dbraw/zinc/37/04/26/558370426.db2.gz FKSQJOMFWRWWNS-SFHVURJKSA-N 0 3 414.571 4.068 50 0 HIAAHN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3cccc(F)c3)C2)c(OC)c1 ZINC000012386991 558395805 /nfs/dbraw/zinc/39/58/05/558395805.db2.gz VQUQISCMPDPTLF-SFHVURJKSA-N 0 3 414.521 4.152 50 0 HIAAHN COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc(-n4cccn4)cc3C)C2)cc1F ZINC000012387238 558396074 /nfs/dbraw/zinc/39/60/74/558396074.db2.gz XNZZRXRYLUGBHM-HXUWFJFHSA-N 0 3 407.489 4.423 50 0 HIAAHN CCOC(=O)N1CCC(N2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000012475118 558422670 /nfs/dbraw/zinc/42/26/70/558422670.db2.gz SZUPKKUWHQETQN-MRXNPFEDSA-N 0 3 412.452 4.221 50 0 HIAAHN O=C(NCc1ccccn1)c1cccc(OC2CCN(CCc3ccccc3)CC2)c1 ZINC000020918211 558423082 /nfs/dbraw/zinc/42/30/82/558423082.db2.gz SBLAUDAZXOSHGG-UHFFFAOYSA-N 0 3 415.537 4.098 50 0 HIAAHN CCOc1ccccc1CN1CCC[C@@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000012576084 558430584 /nfs/dbraw/zinc/43/05/84/558430584.db2.gz XQXZJYVDGFJINN-HXUWFJFHSA-N 0 3 404.514 4.122 50 0 HIAAHN COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(Cc3cc4ccccc4o3)C2)c1 ZINC000012592116 558436179 /nfs/dbraw/zinc/43/61/79/558436179.db2.gz BQLNBHVKRBHMAX-KRWDZBQOSA-N 0 3 408.498 4.092 50 0 HIAAHN c1nnc2c3ccccc3c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nn12 ZINC000021798640 558449804 /nfs/dbraw/zinc/44/98/04/558449804.db2.gz CJHUNACXJRTJBZ-UHFFFAOYSA-N 0 3 420.520 4.189 50 0 HIAAHN CCN(CC)CCN(C(=O)C1CCCCC1)c1nc2cc3c(cc2s1)OCO3 ZINC000004359487 558456602 /nfs/dbraw/zinc/45/66/02/558456602.db2.gz RMKFYUPRHGIROK-UHFFFAOYSA-N 0 3 403.548 4.280 50 0 HIAAHN COc1ccccc1[C@H](CNCc1cc(Cl)c2c(c1)OCCO2)N1CCCC1 ZINC000022015893 558457991 /nfs/dbraw/zinc/45/79/91/558457991.db2.gz FSCALMYQHHJPIZ-IBGZPJMESA-N 0 3 402.922 4.047 50 0 HIAAHN CCN(CC)[C@H](CNC(=O)c1ccc(OCc2cccnc2)cc1)c1ccccc1 ZINC000023114204 558534837 /nfs/dbraw/zinc/53/48/37/558534837.db2.gz NOCTXTYLNWYUMK-XMMPIXPASA-N 0 3 403.526 4.474 50 0 HIAAHN CCN1C[C@@H](CN(C)Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1=O ZINC000013594454 558546955 /nfs/dbraw/zinc/54/69/55/558546955.db2.gz QCGWBWHIOXGCBH-OAQYLSRUSA-N 0 3 416.569 4.456 50 0 HIAAHN COc1ccc(-c2n[nH]cc2CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1F ZINC000023337920 558550057 /nfs/dbraw/zinc/55/00/57/558550057.db2.gz PNPHCEPLWAYZRA-INIZCTEOSA-N 0 3 405.477 4.480 50 0 HIAAHN CCOc1cc(CNCc2ccccc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717704 558580267 /nfs/dbraw/zinc/58/02/67/558580267.db2.gz WBHVVTCDXSCNGD-UHFFFAOYSA-N 0 3 401.470 4.143 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccccc1F ZINC000013749195 558589442 /nfs/dbraw/zinc/58/94/42/558589442.db2.gz MADIIHWVTPVBSD-NJDAHSKKSA-N 0 3 406.388 4.016 50 0 HIAAHN COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@H]34)CC2)c1 ZINC000013751067 558589644 /nfs/dbraw/zinc/58/96/44/558589644.db2.gz HWHLLITUISOPCT-MWXBQQNOSA-N 0 3 424.585 4.276 50 0 HIAAHN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc2ccccc2c1 ZINC000014123958 558622767 /nfs/dbraw/zinc/62/27/67/558622767.db2.gz BYDXFJNVLOKYTQ-OAHLLOKOSA-N 0 3 405.889 4.363 50 0 HIAAHN Cc1nc(COc2ccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc2)cs1 ZINC000014140238 558624800 /nfs/dbraw/zinc/62/48/00/558624800.db2.gz ALBSXEXDZNXWRR-HXUWFJFHSA-N 0 3 407.539 4.035 50 0 HIAAHN COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc(-n4cccn4)cc3C)C2)cc1OC ZINC000014971246 558687327 /nfs/dbraw/zinc/68/73/27/558687327.db2.gz RQPIKXYYWCSHOS-OAQYLSRUSA-N 0 3 419.525 4.293 50 0 HIAAHN O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H]2CN(C/C=C/c3ccccc3)CC[C@H]21 ZINC000014996888 558696374 /nfs/dbraw/zinc/69/63/74/558696374.db2.gz NRUZJMPQTIOAOZ-CEYISNLHSA-N 0 3 418.537 4.098 50 0 HIAAHN Clc1cc(CNCCCN2CCOCC2)cc(Cl)c1OCc1ccccc1 ZINC000028427044 558700490 /nfs/dbraw/zinc/70/04/90/558700490.db2.gz OBNBKISAROQBOP-UHFFFAOYSA-N 0 3 409.357 4.384 50 0 HIAAHN NC(=O)[C@@H]1CCCN(Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000015061721 558704865 /nfs/dbraw/zinc/70/48/65/558704865.db2.gz BIBZBHXYSGHHDX-OAHLLOKOSA-N 0 3 412.896 4.029 50 0 HIAAHN COc1ccc(NC(=O)[C@H](C)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1Cl ZINC000011094048 558759751 /nfs/dbraw/zinc/75/97/51/558759751.db2.gz PFMVTGZMBUMYRX-QKKBWIMNSA-N 0 3 418.921 4.434 50 0 HIAAHN CCCN1CCN(c2ncnc3sc(C(=O)Nc4ccccc4C)c(C)c32)CC1 ZINC000033048414 558885741 /nfs/dbraw/zinc/88/57/41/558885741.db2.gz MNNVRSGMZUDEBS-UHFFFAOYSA-N 0 3 409.559 4.092 50 0 HIAAHN COc1ccccc1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057254346 558888057 /nfs/dbraw/zinc/88/80/57/558888057.db2.gz WECDCLLZHYKYNL-UHFFFAOYSA-N 0 3 401.510 4.270 50 0 HIAAHN Cc1ccc(-c2cc(Nc3cccc(C(=O)NCCN4CCCCC4)c3)ncn2)cc1 ZINC000033261010 558926997 /nfs/dbraw/zinc/92/69/97/558926997.db2.gz MENUHCCJPJOLSH-UHFFFAOYSA-N 0 3 415.541 4.411 50 0 HIAAHN Cn1c(-c2c(-c3ccccc3)ncn2CCN2CCC[C@@H](O)C2)cc2ccccc21 ZINC000065435682 558977635 /nfs/dbraw/zinc/97/76/35/558977635.db2.gz STAHSHDVPQIMSY-OAQYLSRUSA-N 0 3 400.526 4.166 50 0 HIAAHN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000072442326 558982135 /nfs/dbraw/zinc/98/21/35/558982135.db2.gz VXQJZKYEVTZPSN-UHFFFAOYSA-N 0 3 405.542 4.163 50 0 HIAAHN Cc1ccc(CN2CCC(C(=O)N(C)Cc3nc(-c4ccccc4C)no3)CC2)cc1 ZINC000067622510 558989837 /nfs/dbraw/zinc/98/98/37/558989837.db2.gz WYZKQBKYNTVCDC-UHFFFAOYSA-N 0 3 418.541 4.224 50 0 HIAAHN CC(C)(C)CN1CCN(Cc2cnc(-c3cccc4ccccc43)nc2)C[C@@H]1CCO ZINC000067642526 558990766 /nfs/dbraw/zinc/99/07/66/558990766.db2.gz JTMAFUBXZNQERR-QFIPXVFZSA-N 0 3 418.585 4.212 50 0 HIAAHN CCc1ccc(-c2noc(CCC(=O)NC[C@@H](c3ccccc3)N3CCCC3)n2)cc1 ZINC000023742564 559179666 /nfs/dbraw/zinc/17/96/66/559179666.db2.gz KRQVRISDORNHBC-QFIPXVFZSA-N 0 3 418.541 4.185 50 0 HIAAHN CCN1CCC[C@@H]1CNC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2 ZINC000004923822 559207490 /nfs/dbraw/zinc/20/74/90/559207490.db2.gz SFJYXWJAAAGPAV-MRXNPFEDSA-N 0 3 418.006 4.460 50 0 HIAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000004956583 559216859 /nfs/dbraw/zinc/21/68/59/559216859.db2.gz SPSIAOFHMUUJCV-NRFANRHFSA-N 0 3 419.525 4.203 50 0 HIAAHN CCN(CC)CCN(C(=O)Cc1ccccc1)c1nc2c(cc(F)cc2F)s1 ZINC000005122214 559248667 /nfs/dbraw/zinc/24/86/67/559248667.db2.gz JVOMJVKSEDNTKX-UHFFFAOYSA-N 0 3 403.498 4.492 50 0 HIAAHN O=S(=O)(NC1CCN(C2c3ccccc3-c3ccccc32)CC1)c1cccs1 ZINC000011718434 559254915 /nfs/dbraw/zinc/25/49/15/559254915.db2.gz VTALRFXMVRFQGD-UHFFFAOYSA-N 0 3 410.564 4.261 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000135681977 559276355 /nfs/dbraw/zinc/27/63/55/559276355.db2.gz RVEWCUFWWOMOPX-IPMKNSEASA-N 0 3 410.882 4.453 50 0 HIAAHN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CNCCc1ccccc1 ZINC000003289389 560591665 /nfs/dbraw/zinc/59/16/65/560591665.db2.gz WWUSOIOXTVLDEO-UHFFFAOYSA-N 0 3 414.552 4.424 50 0 HIAAHN CCC[C@@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)C2ON1c1ccccc1 ZINC000101027220 560766738 /nfs/dbraw/zinc/76/67/38/560766738.db2.gz PBLBZXKHIMOEEP-KURKYZTESA-N 0 3 404.388 4.184 50 0 HIAAHN CCN1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccccc2Cl)CC1 ZINC000101215845 560790032 /nfs/dbraw/zinc/79/00/32/560790032.db2.gz GGNPQNJDSXTQTD-UHFFFAOYSA-N 0 3 421.010 4.160 50 0 HIAAHN C[C@]12C(=O)N(c3ccc(F)cc3)C(=O)C1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102663013 560819338 /nfs/dbraw/zinc/81/93/38/560819338.db2.gz GBTGNQFSCNVAKQ-AWRGLXIESA-N 0 3 402.425 4.267 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1C ZINC000102707105 560820592 /nfs/dbraw/zinc/82/05/92/560820592.db2.gz QVIBHYIQLLOPTC-YTFSRNRJSA-N 0 3 414.461 4.060 50 0 HIAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](CC(C)C)[C@H]3C2=O)cc1 ZINC000102728254 560822109 /nfs/dbraw/zinc/82/21/09/560822109.db2.gz PVHNACHDIDKRKZ-BHDDXSALSA-N 0 3 408.498 4.200 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@H]3C2=O)c(C)c1 ZINC000102731971 560822657 /nfs/dbraw/zinc/82/26/57/560822657.db2.gz BCOGPEAYQAMWRM-QHAWAJNXSA-N 0 3 404.491 4.416 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4F)[C@H]3C2=O)c(C)c1 ZINC000102765903 560825130 /nfs/dbraw/zinc/82/51/30/560825130.db2.gz BEHNWZBSIRATNN-XPWALMASSA-N 0 3 416.452 4.494 50 0 HIAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C1=O ZINC000102757990 560826019 /nfs/dbraw/zinc/82/60/19/560826019.db2.gz NSWXOHWQFKYLJZ-XPWALMASSA-N 0 3 414.461 4.136 50 0 HIAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4C)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000102912296 560835365 /nfs/dbraw/zinc/83/53/65/560835365.db2.gz NBDBZMFKTUEVEG-PCCBWWKXSA-N 0 3 420.490 4.116 50 0 HIAAHN Cc1nn(C(C)C)c(C)c1NC(=O)Nc1ccc(N2CCCN(C)CC2)c(F)c1 ZINC000047561519 560892213 /nfs/dbraw/zinc/89/22/13/560892213.db2.gz YWXGXAJCNDACRD-UHFFFAOYSA-N 0 3 402.518 4.006 50 0 HIAAHN COc1cccc([C@@H](CNC(=O)Nc2ccc(N3CCCCC3)nc2)N2CCCC2)c1 ZINC000048324768 568438398 /nfs/dbraw/zinc/43/83/98/568438398.db2.gz VTPDDKHSZVAERK-JOCHJYFZSA-N 0 3 423.561 4.039 50 0 HIAAHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc(-c3ccco3)nc2C)cc1 ZINC000095456452 568617671 /nfs/dbraw/zinc/61/76/71/568617671.db2.gz DDAXXNRWLZIWBH-QFIPXVFZSA-N 0 3 405.498 4.226 50 0 HIAAHN CN(CCC1CCN(c2ccncc2)CC1)CC(=O)Nc1ccc(F)cc1Cl ZINC000095458245 568618963 /nfs/dbraw/zinc/61/89/63/568618963.db2.gz ZIQMMWGMIUCRGE-UHFFFAOYSA-N 0 3 404.917 4.051 50 0 HIAAHN CCC(CC)(CO)NC(=O)Nc1ccc(CN(C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000095460776 568620507 /nfs/dbraw/zinc/62/05/07/568620507.db2.gz CRWPOLCDISRXPX-NRFANRHFSA-N 0 3 405.583 4.139 50 0 HIAAHN CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CN1CCN(C2CCCCC2)CC1 ZINC000020611810 568637426 /nfs/dbraw/zinc/63/74/26/568637426.db2.gz DAYTVCRITHQGJC-AFFJLAOCSA-N 0 3 400.607 4.395 50 0 HIAAHN CCN1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)N(CC)C(=O)c1ccccc1S2 ZINC000020900712 568649821 /nfs/dbraw/zinc/64/98/21/568649821.db2.gz FPDXLLYCZPGWAL-KRWDZBQOSA-N 0 3 424.570 4.424 50 0 HIAAHN O=C1[C@H](NC2CCN(Cc3cccc(F)c3)CC2)CCCN1c1ccccc1Cl ZINC000095968507 568670740 /nfs/dbraw/zinc/67/07/40/568670740.db2.gz IBKDXQCPXPALGQ-OAQYLSRUSA-N 0 3 415.940 4.229 50 0 HIAAHN CCc1cccc2c([C@@H](CC(=O)NCCN3CCCC3)c3ccccc3OC)c[nH]c21 ZINC000096276619 568715294 /nfs/dbraw/zinc/71/52/94/568715294.db2.gz KXNRTXOXCCPGEI-QFIPXVFZSA-N 0 3 419.569 4.473 50 0 HIAAHN CNC(=O)c1ccnc(N2CC[C@@]3(C2)CCCN(Cc2ccc(C(C)C)cc2)C3)c1 ZINC000426641624 568723987 /nfs/dbraw/zinc/72/39/87/568723987.db2.gz YAAWLRQZAGVMFP-VWLOTQADSA-N 0 3 406.574 4.057 50 0 HIAAHN CC(C)N(C)CC(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 ZINC000239722553 568729797 /nfs/dbraw/zinc/72/97/97/568729797.db2.gz CDIIEGNIWFSKFO-QGZVFWFLSA-N 0 3 405.539 4.092 50 0 HIAAHN CCN(CCNc1ncnc2onc(-c3cccc(OC)c3)c21)Cc1ccccc1 ZINC000021714898 568748911 /nfs/dbraw/zinc/74/89/11/568748911.db2.gz YYAVYGCPECUHEU-UHFFFAOYSA-N 0 3 403.486 4.227 50 0 HIAAHN Cc1oc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)nc1COc1ccccc1 ZINC000021781497 568752597 /nfs/dbraw/zinc/75/25/97/568752597.db2.gz MIQTVQMWPOCSLM-UHFFFAOYSA-N 0 3 419.525 4.445 50 0 HIAAHN CCN(CC)CCOC(=O)c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F ZINC000021792731 568753171 /nfs/dbraw/zinc/75/31/71/568753171.db2.gz GCMVXSUHWNURLD-UHFFFAOYSA-N 0 3 424.398 4.053 50 0 HIAAHN Cc1ccc(Nc2nc(N3CCN(C4CCCCC4)CC3)nc3c2cnn3C)c(C)c1 ZINC000021928670 568761528 /nfs/dbraw/zinc/76/15/28/568761528.db2.gz RELMVELPYFIHSY-UHFFFAOYSA-N 0 3 419.577 4.178 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4F)[C@@H]3C2=O)cc1 ZINC000230043276 568804309 /nfs/dbraw/zinc/80/43/09/568804309.db2.gz RPNKTIDKSYHAFW-BHDDXSALSA-N 0 3 402.425 4.185 50 0 HIAAHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000002798756 568810657 /nfs/dbraw/zinc/81/06/57/568810657.db2.gz GRIYQZILAYJBIT-LBPRGKRZSA-N 0 3 414.399 4.019 50 0 HIAAHN COc1ccc2c(CN(C)CCOc3ccc(Br)cc3)cc(=O)oc2c1 ZINC000057475484 568839487 /nfs/dbraw/zinc/83/94/87/568839487.db2.gz JEMAEJBFLBHWJK-UHFFFAOYSA-N 0 3 418.287 4.075 50 0 HIAAHN COc1ccc([C@@H](CNCc2ccc(OCc3ccncc3)c(OC)c2)N(C)C)cc1 ZINC000030545140 568870347 /nfs/dbraw/zinc/87/03/47/568870347.db2.gz ZALHEHZIFIPABH-HSZRJFAPSA-N 0 3 421.541 4.070 50 0 HIAAHN C[N@H+](Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000003353231 568886099 /nfs/dbraw/zinc/88/60/99/568886099.db2.gz HDBWFISBULMNNY-UHFFFAOYSA-N 0 3 416.543 4.023 50 0 HIAAHN C[N@@H+](Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000003353231 568886101 /nfs/dbraw/zinc/88/61/01/568886101.db2.gz HDBWFISBULMNNY-UHFFFAOYSA-N 0 3 416.543 4.023 50 0 HIAAHN Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1cccc(CN(C)C)c1 ZINC000031237724 568920283 /nfs/dbraw/zinc/92/02/83/568920283.db2.gz DMOOKBXPKNOJRR-UHFFFAOYSA-N 0 3 400.320 4.482 50 0 HIAAHN Cc1ccc(S(C)(=O)=O)cc1NC(=O)CN[C@H](c1ccc(C(C)C)cc1)C(C)C ZINC000084185760 568943897 /nfs/dbraw/zinc/94/38/97/568943897.db2.gz BXLBMDFAYLQFDS-QHCPKHFHSA-N 0 3 416.587 4.447 50 0 HIAAHN CCOc1ccccc1NC(=O)c1cc2cc3c4c(c2oc1=N)CCCN4CCC3 ZINC000004193152 568950583 /nfs/dbraw/zinc/95/05/83/568950583.db2.gz YRGPFGNXWXBZCB-UHFFFAOYSA-N 0 3 403.482 4.262 50 0 HIAAHN CCN1CCC(N(Cc2cccs2)C(=O)Nc2ccc(OC)c(OC)c2)CC1 ZINC000015679749 568966742 /nfs/dbraw/zinc/96/67/42/568966742.db2.gz FOCCEWLKMHHRLV-UHFFFAOYSA-N 0 3 403.548 4.284 50 0 HIAAHN COc1ccc([C@H](CNC(=O)Cc2c(C)nc3ccccc3c2C)N2CCCC2)cc1 ZINC000008156742 568978239 /nfs/dbraw/zinc/97/82/39/568978239.db2.gz ZPKXROOPRCQIOZ-VWLOTQADSA-N 0 3 417.553 4.356 50 0 HIAAHN CCN(CC)Cc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)o1 ZINC000006085687 568997972 /nfs/dbraw/zinc/99/79/72/568997972.db2.gz QVYRVOYVLWHYPT-QFIPXVFZSA-N 0 3 413.562 4.087 50 0 HIAAHN COc1ccc([C@H](CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)N(C)C)cc1 ZINC000012845412 569010143 /nfs/dbraw/zinc/01/01/43/569010143.db2.gz LINHGNPQLBSWFC-FQEVSTJZSA-N 0 3 413.518 4.075 50 0 HIAAHN CCN(CC)[C@H](CNC(=O)Cc1c(C)nn(-c2ccccc2)c1C)c1ccccc1 ZINC000012902433 569020640 /nfs/dbraw/zinc/02/06/40/569020640.db2.gz CMKKGNQTXZRQQS-XMMPIXPASA-N 0 3 404.558 4.231 50 0 HIAAHN CCN(CC)[C@@H](CNC(=O)Cc1c(C)nn(-c2ccccc2)c1C)c1ccccc1 ZINC000012902430 569020668 /nfs/dbraw/zinc/02/06/68/569020668.db2.gz CMKKGNQTXZRQQS-DEOSSOPVSA-N 0 3 404.558 4.231 50 0 HIAAHN COc1cccc2cc(C(=O)NC[C@@H](c3csc4ccccc43)N(C)C)c(=O)oc21 ZINC000575621722 569039014 /nfs/dbraw/zinc/03/90/14/569039014.db2.gz RUIZFDPGARLXJF-SFHVURJKSA-N 0 3 422.506 4.049 50 0 HIAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C1=O ZINC000245311620 569055646 /nfs/dbraw/zinc/05/56/46/569055646.db2.gz PDRWURHQLPIHQI-NJDAHSKKSA-N 0 3 420.490 4.198 50 0 HIAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COCC ZINC000036308287 569130337 /nfs/dbraw/zinc/13/03/37/569130337.db2.gz TYFDUQLVGOJDIU-NRFANRHFSA-N 0 3 423.557 4.489 50 0 HIAAHN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000006807069 569131207 /nfs/dbraw/zinc/13/12/07/569131207.db2.gz NTTLDRHOGZEYBI-UHFFFAOYSA-N 0 3 417.557 4.062 50 0 HIAAHN Fc1cccc(-c2noc(-c3ccc(N4CCN(C5CCCCC5)CC4)nc3)n2)c1 ZINC000065097905 569176684 /nfs/dbraw/zinc/17/66/84/569176684.db2.gz TXRHQPNARHYQJI-UHFFFAOYSA-N 0 3 407.493 4.392 50 0 HIAAHN O=C(Nc1ccc(F)cc1)c1ccc(N2CC[C@@H](NCc3ccc(Cl)cc3)C2)nc1 ZINC000065257009 569208553 /nfs/dbraw/zinc/20/85/53/569208553.db2.gz CADYKTHMTSGWRW-OAQYLSRUSA-N 0 3 424.907 4.495 50 0 HIAAHN CC[NH+]1CCC2(CC1)N=C(c1cc(Cl)ccc1[O-])C[C@@H](c1ccc(OC)cc1)N2 ZINC000065298548 569219359 /nfs/dbraw/zinc/21/93/59/569219359.db2.gz LWJJPQPHSXMDHD-FQEVSTJZSA-N 0 3 413.949 4.390 50 0 HIAAHN CN(C)CCCNc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCCC3 ZINC000002341134 569376378 /nfs/dbraw/zinc/37/63/78/569376378.db2.gz AFKNMFXTZTZWHJ-UHFFFAOYSA-N 0 3 424.614 4.333 50 0 HIAAHN O=C(Nc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1)c1ccco1 ZINC000007941326 569401814 /nfs/dbraw/zinc/40/18/14/569401814.db2.gz WFNPKBAQNVKPPN-UHFFFAOYSA-N 0 3 417.509 4.448 50 0 HIAAHN CC(C(=O)NC[C@H](C)c1ccccc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000040121868 571177839 /nfs/dbraw/zinc/17/78/39/571177839.db2.gz NKATZLRQYCMKDP-KBPBESRZSA-N 0 3 414.354 4.217 50 0 HIAAHN CCN(CC)CCN(C(=O)c1ccnc(Cl)c1)c1cccc(Br)c1 ZINC000040157907 571204533 /nfs/dbraw/zinc/20/45/33/571204533.db2.gz LLRIAXGEKZQXCN-UHFFFAOYSA-N 0 3 410.743 4.486 50 0 HIAAHN Cc1ccc(-n2c(SCCNCCO)nnc2-c2ccc(Cl)cc2)cc1Cl ZINC000009125712 571226484 /nfs/dbraw/zinc/22/64/84/571226484.db2.gz XXQZEEYZMHZTHQ-UHFFFAOYSA-N 0 3 423.369 4.224 50 0 HIAAHN Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1cccc2ccccc21)N1CCCC1 ZINC000010334172 571300813 /nfs/dbraw/zinc/30/08/13/571300813.db2.gz KEQBWCPEHHHNDF-QHCPKHFHSA-N 0 3 415.537 4.348 50 0 HIAAHN CN(C)[C@@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1cn(C)c2ccccc12 ZINC000077200994 571313317 /nfs/dbraw/zinc/31/33/17/571313317.db2.gz QGSDJOCGJARHBU-IBGZPJMESA-N 0 3 405.420 4.110 50 0 HIAAHN C[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)[nH]c1=O)c1cccc2ccccc21 ZINC000011839492 845838325 /nfs/dbraw/zinc/83/83/25/845838325.db2.gz PKTFGFQDWCCSGK-GOSISDBHSA-N 0 3 403.526 4.251 50 0 HIAAHN O=C(Nc1cccc(F)c1)[C@H]1CC12CCN(Cc1cccn1-c1cccnc1)CC2 ZINC000011973608 845844884 /nfs/dbraw/zinc/84/48/84/845844884.db2.gz MTSNKAAOOALOMV-JOCHJYFZSA-N 0 3 404.489 4.252 50 0 HIAAHN Cc1nc(N2CCC[C@@H](N3CCOc4ccccc4C3)CC2)nc2ccc(F)cc12 ZINC000012054195 845851007 /nfs/dbraw/zinc/85/10/07/845851007.db2.gz LIPAJVMBFIUJKO-HXUWFJFHSA-N 0 3 406.505 4.331 50 0 HIAAHN COc1ccccc1CCNC(=O)[C@@H]1CC12CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC000012210694 845859666 /nfs/dbraw/zinc/85/96/66/845859666.db2.gz JAGOQPOBORLHKX-QFIPXVFZSA-N 0 3 417.553 4.138 50 0 HIAAHN COc1cccc(N2C[C@@H]3C[C@@H](c4c[nH]nc4-c4ccccc4)N4CCC[C@@]34C2=O)c1 ZINC000023428892 846700417 /nfs/dbraw/zinc/70/04/17/846700417.db2.gz WPIOCBWVPXZCRM-PZGSVQSZSA-N 0 3 414.509 4.028 50 0 HIAAHN CCCCc1nc2sc3c(nc(SC)nc3N3CCNCC3)c2c2c1CCC2 ZINC000002405990 132254107 /nfs/dbraw/zinc/25/41/07/132254107.db2.gz IYFDCFGTDPOIDL-UHFFFAOYSA-N 0 3 413.616 4.202 50 0 HIAAHN CCN(CC)[C@H](CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000010080419 132345052 /nfs/dbraw/zinc/34/50/52/132345052.db2.gz VHXKIRCNKGHFSU-JOCHJYFZSA-N 0 3 414.981 4.255 50 0 HIAAHN O=C(Nc1cccc(N2CCC(NCc3cccc(F)c3F)CC2)c1)c1cccnc1 ZINC000015069161 132461221 /nfs/dbraw/zinc/46/12/21/132461221.db2.gz JNILDEDZPKHZKB-UHFFFAOYSA-N 0 3 422.479 4.371 50 0 HIAAHN CCCCOCCCNCc1cccc(OC)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734729 520758481 /nfs/dbraw/zinc/75/84/81/520758481.db2.gz LYGMDOZGHGBTFZ-UHFFFAOYSA-N 0 3 414.546 4.318 50 0 HIAAHN C[C@H](NC[C@@H](O)COc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000032899647 525381929 /nfs/dbraw/zinc/38/19/29/525381929.db2.gz UMGKXKDMRMOBMO-AZUAARDMSA-N 0 3 421.493 4.341 50 0 HIAAHN COc1ccc2ncc3c(sc(C(=O)NCCN(C)C)c3-c3ccccc3)c2c1 ZINC000045944032 525681328 /nfs/dbraw/zinc/68/13/28/525681328.db2.gz REBPLOSKOYROAQ-UHFFFAOYSA-N 0 3 405.523 4.417 50 0 HIAAHN C[C@@H](O)CNCc1cc(Br)ccc1OCc1ccc(F)cc1Cl ZINC000040744038 525805710 /nfs/dbraw/zinc/80/57/10/525805710.db2.gz ZSGNHMUTTAJDIH-LLVKDONJSA-N 0 3 402.691 4.291 50 0 HIAAHN CSc1ccccc1CN1CCC(CNC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000043991413 526159016 /nfs/dbraw/zinc/15/90/16/526159016.db2.gz UBHCOOIXDOHUKM-VQHVLOKHSA-N 0 3 424.566 4.179 50 0 HIAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)C1(c2cccc(Br)c2)CC1 ZINC000032760342 526494451 /nfs/dbraw/zinc/49/44/51/526494451.db2.gz BENMFIVVESFODY-KRWDZBQOSA-N 0 3 419.388 4.496 50 0 HIAAHN Clc1cccc(COc2ccc3ccccc3c2CNCCN2CCOCC2)c1 ZINC000040720779 526977960 /nfs/dbraw/zinc/97/79/60/526977960.db2.gz WLVXCMKBUBJZKY-UHFFFAOYSA-N 0 3 410.945 4.494 50 0 HIAAHN CCN(CC)[C@@H](CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000010080416 535655200 /nfs/dbraw/zinc/65/52/00/535655200.db2.gz VHXKIRCNKGHFSU-QFIPXVFZSA-N 0 3 414.981 4.255 50 0 HIAAHN Cc1cc(=O)oc2cc(NC(=S)NC3CCN(Cc4ccccc4)CC3)ccc12 ZINC000001117589 557188398 /nfs/dbraw/zinc/18/83/98/557188398.db2.gz VADDCFYKSYRNLC-UHFFFAOYSA-N 0 3 407.539 4.052 50 0 HIAAHN CN(C)CCNC(=O)c1csc(-c2ccc(OCc3cccc(Cl)c3)cc2)n1 ZINC000034711843 557391434 /nfs/dbraw/zinc/39/14/34/557391434.db2.gz HZXTZJGZDIBUNW-UHFFFAOYSA-N 0 3 415.946 4.334 50 0 HIAAHN COc1cc(CNC(C)(C)CO)cc(Br)c1OCc1ccc(F)cc1 ZINC000004223001 557529889 /nfs/dbraw/zinc/52/98/89/557529889.db2.gz KUMQRMMTGAJGIM-UHFFFAOYSA-N 0 3 412.299 4.036 50 0 HIAAHN CCc1ccc([C@H](CNC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)N(C)C)cc1 ZINC000022870591 557843652 /nfs/dbraw/zinc/84/36/52/557843652.db2.gz MNDRABJFMRWTBO-NRFANRHFSA-N 0 3 424.976 4.488 50 0 HIAAHN Cc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3nc4ccccc4nc3C)C2)o1 ZINC000019742117 558262508 /nfs/dbraw/zinc/26/25/08/558262508.db2.gz MYGMLJKBKSJWKW-IBGZPJMESA-N 0 3 406.530 4.148 50 0 HIAAHN COc1ccc(-c2nn(-c3ccccc3F)cc2CNCc2n[nH]c3c2CCC3)cc1 ZINC000011816615 558280080 /nfs/dbraw/zinc/28/00/80/558280080.db2.gz BNCORAVONGAFIF-UHFFFAOYSA-N 0 3 417.488 4.189 50 0 HIAAHN Cc1cccc(NC(=O)CCC2CCN(Cc3ccc(N4CCNC4=O)cc3)CC2)c1 ZINC000011843880 558288812 /nfs/dbraw/zinc/28/88/12/558288812.db2.gz BXZXIBYILJSDCA-UHFFFAOYSA-N 0 3 420.557 4.156 50 0 HIAAHN O=C(NCc1ccco1)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000011878423 558292778 /nfs/dbraw/zinc/29/27/78/558292778.db2.gz DVLJSQNQUIKXMX-UHFFFAOYSA-N 0 3 404.510 4.296 50 0 HIAAHN C[C@H]1CN(CCC(=O)NCc2nc(-c3ccccc3)cs2)Cc2ccccc2O1 ZINC000011995624 558306606 /nfs/dbraw/zinc/30/66/06/558306606.db2.gz JBZDAJNVXWCFEY-KRWDZBQOSA-N 0 3 407.539 4.100 50 0 HIAAHN O=C(CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000019962147 558316076 /nfs/dbraw/zinc/31/60/76/558316076.db2.gz QKHVYJIOYSSPFU-QFIPXVFZSA-N 0 3 410.477 4.196 50 0 HIAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000012072516 558317792 /nfs/dbraw/zinc/31/77/92/558317792.db2.gz WISXFNKAVJJSIP-GOSISDBHSA-N 0 3 423.532 4.342 50 0 HIAAHN COc1cccc(NC(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3OC)C2)c1 ZINC000012112054 558326363 /nfs/dbraw/zinc/32/63/63/558326363.db2.gz ABJSREYYGHZJPU-IBGZPJMESA-N 0 3 411.546 4.122 50 0 HIAAHN O=C(CC[C@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C1)N1CCOCC1 ZINC000012112217 558326622 /nfs/dbraw/zinc/32/66/22/558326622.db2.gz ZYDMYQAFPVQPPO-GOSISDBHSA-N 0 3 416.949 4.451 50 0 HIAAHN CN(c1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)cn1)C1CCN(C)CC1 ZINC000020203626 558346570 /nfs/dbraw/zinc/34/65/70/558346570.db2.gz PUZNYJCFWTVBMJ-OAQYLSRUSA-N 0 3 406.574 4.022 50 0 HIAAHN O=C(c1cc2ccccc2oc1=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1F)C2 ZINC000012201919 558351688 /nfs/dbraw/zinc/35/16/88/558351688.db2.gz YUUDKYJNOCABQY-RUZDIDTESA-N 0 3 420.484 4.060 50 0 HIAAHN Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012204210 558352242 /nfs/dbraw/zinc/35/22/42/558352242.db2.gz BXTCSQSQVXODHA-NRFANRHFSA-N 0 3 401.510 4.012 50 0 HIAAHN Cc1ccc2[nH]nc(C(=O)N(C)C[C@H]3CCCN(CCc4ccccc4F)C3)c2c1 ZINC000012302986 558372611 /nfs/dbraw/zinc/37/26/11/558372611.db2.gz IMNQLHGYYNPMKO-GOSISDBHSA-N 0 3 408.521 4.037 50 0 HIAAHN Brc1cccc(OCCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000020482344 558375477 /nfs/dbraw/zinc/37/54/77/558375477.db2.gz LAANLAXVBBPWHO-UHFFFAOYSA-N 0 3 403.364 4.426 50 0 HIAAHN COc1cccc(C(=O)[C@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)c1 ZINC000012431633 558406265 /nfs/dbraw/zinc/40/62/65/558406265.db2.gz XADLRCJPKYMMSH-QHCPKHFHSA-N 0 3 406.570 4.297 50 0 HIAAHN CC1(C)C[C@]1(CNCc1c(C(=O)N2CCCC2)nc2sccn12)c1ccccc1 ZINC000020906498 558420990 /nfs/dbraw/zinc/42/09/90/558420990.db2.gz YMDBHMFDEBQMQM-QHCPKHFHSA-N 0 3 408.571 4.089 50 0 HIAAHN COc1c(Cl)cc(CNCCCSc2nnnn2-c2ccccc2)cc1Cl ZINC000020928543 558423939 /nfs/dbraw/zinc/42/39/39/558423939.db2.gz PPFRNMWUPAXUDO-UHFFFAOYSA-N 0 3 424.357 4.250 50 0 HIAAHN O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCCN(Cc2ccc(OCCO)cc2)C1 ZINC000012571100 558429028 /nfs/dbraw/zinc/42/90/28/558429028.db2.gz OIYLVXBOQNCOED-QFIPXVFZSA-N 0 3 415.533 4.404 50 0 HIAAHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)cc1OC ZINC000012579456 558432150 /nfs/dbraw/zinc/43/21/50/558432150.db2.gz ZMMABDRZOHLBGB-FQEVSTJZSA-N 0 3 422.525 4.229 50 0 HIAAHN CCCC(=O)OC[C@@H](O)CN(CCC(C)C)Cc1cccn1Cc1ccccc1 ZINC000004354259 558439782 /nfs/dbraw/zinc/43/97/82/558439782.db2.gz VXRZYVOKODTIHC-QHCPKHFHSA-N 0 3 400.563 4.089 50 0 HIAAHN CO[C@H](C(=O)Nc1ccnn1C1CCN(Cc2ccc(C)s2)CC1)c1ccccc1 ZINC000012702637 558448169 /nfs/dbraw/zinc/44/81/69/558448169.db2.gz YSPIPOZSDNSVHD-QFIPXVFZSA-N 0 3 424.570 4.416 50 0 HIAAHN O=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(Cc2ccccc2-c2ccco2)C1 ZINC000012748801 558458875 /nfs/dbraw/zinc/45/88/75/558458875.db2.gz VLXFPBKFDJXSQX-OAQYLSRUSA-N 0 3 424.566 4.278 50 0 HIAAHN O=C(CCN1CCN(CCc2ccccc2)CC1)Nc1c(Cl)cccc1Cl ZINC000022930950 558524279 /nfs/dbraw/zinc/52/42/79/558524279.db2.gz AYOPYBSYQRXNSN-UHFFFAOYSA-N 0 3 406.357 4.182 50 0 HIAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@]3(C)C2=O)cc1 ZINC000013596905 558547399 /nfs/dbraw/zinc/54/73/99/558547399.db2.gz RAYDPGXMQUXRBR-WRALFONMSA-N 0 3 414.461 4.136 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccccc1Cl ZINC000013660772 558559757 /nfs/dbraw/zinc/55/97/57/558559757.db2.gz AKDBBUXGUHMDLV-QHAWAJNXSA-N 0 3 420.852 4.097 50 0 HIAAHN CN1CCC2(CC1)C[C@@H](NC(=O)CCc1nc3ccccc3s1)c1ccccc1O2 ZINC000014240661 558643457 /nfs/dbraw/zinc/64/34/57/558643457.db2.gz AVSKLOQMUWJPJU-LJQANCHMSA-N 0 3 421.566 4.333 50 0 HIAAHN CCc1ccc(OCC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCCC2)cc1 ZINC000027582955 558675994 /nfs/dbraw/zinc/67/59/94/558675994.db2.gz WIVYOBVIIMQKOV-DEOSSOPVSA-N 0 3 410.558 4.370 50 0 HIAAHN COc1ccc([C@H](CNC(=O)COc2cc(C)cc(C)c2)N2CCCCCC2)cc1 ZINC000027663585 558678964 /nfs/dbraw/zinc/67/89/64/558678964.db2.gz ZHFCYZFPIOLTBC-DEOSSOPVSA-N 0 3 410.558 4.424 50 0 HIAAHN CCN(CC)CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000014948700 558680546 /nfs/dbraw/zinc/68/05/46/558680546.db2.gz DUIKBAUYYJMXMF-HXUWFJFHSA-N 0 3 411.521 4.012 50 0 HIAAHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)nc1N(C)C ZINC000014956911 558682673 /nfs/dbraw/zinc/68/26/73/558682673.db2.gz VSIRRLRYNUJRTG-UHFFFAOYSA-N 0 3 402.542 4.019 50 0 HIAAHN COc1cccc(C(=O)NC[C@H]2CCCN(C/C(C)=C/c3ccccc3)C2)c1OC ZINC000014977635 558689938 /nfs/dbraw/zinc/68/99/38/558689938.db2.gz FKLZDSCGQSNOKH-JENJNIGESA-N 0 3 408.542 4.249 50 0 HIAAHN COc1cc(CNCc2ccc(Cn3cccn3)cc2)ccc1OCc1ccncc1 ZINC000030629980 558734735 /nfs/dbraw/zinc/73/47/35/558734735.db2.gz CISZDRLAMHDUKU-UHFFFAOYSA-N 0 3 414.509 4.204 50 0 HIAAHN C[C@H](OC[C@H](O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000034871993 558786131 /nfs/dbraw/zinc/78/61/31/558786131.db2.gz VMOKLPZUULCAMG-LQBOVUBWSA-N 0 3 416.949 4.129 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C)c(C)c2)CC1 ZINC000032978525 558803490 /nfs/dbraw/zinc/80/34/90/558803490.db2.gz DBXLSRNAZRIEKQ-UHFFFAOYSA-N 0 3 404.514 4.353 50 0 HIAAHN CSCCCN1CCC(Oc2cccc(C(=O)NCCc3ccccc3)c2)CC1 ZINC000039489924 558821701 /nfs/dbraw/zinc/82/17/01/558821701.db2.gz BHVPZNHHEUOVHY-UHFFFAOYSA-N 0 3 412.599 4.255 50 0 HIAAHN CC1(C)C[C@@]1(CNCc1c(C(=O)N2CCCC2)nc2ccccn21)c1ccccc1 ZINC000055154014 558874450 /nfs/dbraw/zinc/87/44/50/558874450.db2.gz RGKIAPXDZYLYNI-RUZDIDTESA-N 0 3 402.542 4.028 50 0 HIAAHN O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000058109278 558899307 /nfs/dbraw/zinc/89/93/07/558899307.db2.gz WGRIOXQVUSWFPC-OAQYLSRUSA-N 0 3 418.324 4.080 50 0 HIAAHN C[C@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1cccc2ccccc21 ZINC000058170331 558907880 /nfs/dbraw/zinc/90/78/80/558907880.db2.gz IATAOAMFOAPWLJ-HNNXBMFYSA-N 0 3 405.889 4.363 50 0 HIAAHN CCCN(C(=O)NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000058186138 558910493 /nfs/dbraw/zinc/91/04/93/558910493.db2.gz KBCHONFEMMZWFT-OAQYLSRUSA-N 0 3 409.530 4.002 50 0 HIAAHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000058292143 558916898 /nfs/dbraw/zinc/91/68/98/558916898.db2.gz HMAUDJBMDXAXTR-GMAHTHKFSA-N 0 3 413.537 4.067 50 0 HIAAHN Cc1ccc(-c2nc(CS(=O)(=O)C(C)C(=O)N[C@H]3CCCC[C@@H]3C)cs2)cc1 ZINC000058935259 558930905 /nfs/dbraw/zinc/93/09/05/558930905.db2.gz ATLXIDZNSBJQFW-FCEWJHQRSA-N 0 3 420.600 4.117 50 0 HIAAHN Cc1cccc(CN2CCC(C(=O)N(C)Cc3nc(-c4cccc(C)c4)no3)CC2)c1 ZINC000067604277 558988373 /nfs/dbraw/zinc/98/83/73/558988373.db2.gz KVDJFUYXTTZNCK-UHFFFAOYSA-N 0 3 418.541 4.224 50 0 HIAAHN CCN1CCN(c2cc(-c3nc(-c4cccc(F)c4)no3)c3ccccc3n2)CC1 ZINC000033282550 559045068 /nfs/dbraw/zinc/04/50/68/559045068.db2.gz ADGQIRQKJBZCCX-UHFFFAOYSA-N 0 3 403.461 4.233 50 0 HIAAHN CCOc1ccc2ccccc2c1CNC[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000072289909 559077784 /nfs/dbraw/zinc/07/77/84/559077784.db2.gz OPYNDJBGSQLVEV-HXUWFJFHSA-N 0 3 403.526 4.356 50 0 HIAAHN Cc1ccccc1CN1CCN(c2cc(C(=O)OCc3cccs3)ccn2)CC1 ZINC000072307778 559158813 /nfs/dbraw/zinc/15/88/13/559158813.db2.gz HGHKFTXFPXCYOE-UHFFFAOYSA-N 0 3 407.539 4.131 50 0 HIAAHN CCCOc1c(Br)cc(CNCCOc2ccccn2)cc1OCC ZINC000113395332 559179799 /nfs/dbraw/zinc/17/97/99/559179799.db2.gz IBQYPYZEXJNSEN-UHFFFAOYSA-N 0 3 409.324 4.200 50 0 HIAAHN CCOc1cc(CNCCc2nc3ccccc3[nH]2)cc(Br)c1OC ZINC000113399197 559180546 /nfs/dbraw/zinc/18/05/46/559180546.db2.gz XSQZOIQOVKZZRK-UHFFFAOYSA-N 0 3 404.308 4.065 50 0 HIAAHN CCN1CCC[C@H]1CNC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2 ZINC000004923823 559207512 /nfs/dbraw/zinc/20/75/12/559207512.db2.gz SFJYXWJAAAGPAV-INIZCTEOSA-N 0 3 418.006 4.460 50 0 HIAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000004956587 559216831 /nfs/dbraw/zinc/21/68/31/559216831.db2.gz SPSIAOFHMUUJCV-OAQYLSRUSA-N 0 3 419.525 4.203 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000136600751 559277528 /nfs/dbraw/zinc/27/75/28/559277528.db2.gz GZHKIWXLDRAFST-PWRODBHTSA-N 0 3 420.852 4.097 50 0 HIAAHN CCN(CC)CCn1cnc2c(c1=N)[C@H](c1ccc(Cl)cc1)c1ccc(O)cc1O2 ZINC000005345173 560569802 /nfs/dbraw/zinc/56/98/02/560569802.db2.gz XFTZSCCGCCBGFH-HXUWFJFHSA-N 0 3 424.932 4.349 50 0 HIAAHN CCOc1ccc(OC[C@@H](O)CN2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000003441329 560594787 /nfs/dbraw/zinc/59/47/87/560594787.db2.gz NJKHRSJAFYFJLP-ROUUACIJSA-N 0 3 412.555 4.314 50 0 HIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000008193602 560636184 /nfs/dbraw/zinc/63/61/84/560636184.db2.gz SDAQFRYKWHTPAB-UHFFFAOYSA-N 0 3 410.521 4.420 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102690658 560819914 /nfs/dbraw/zinc/81/99/14/560819914.db2.gz PQRXXEZTUSVBNK-QHAWAJNXSA-N 0 3 404.853 4.391 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102705400 560820486 /nfs/dbraw/zinc/82/04/86/560820486.db2.gz GRRKMZLJNJMNDH-PCCBWWKXSA-N 0 3 404.853 4.391 50 0 HIAAHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C1=O ZINC000102733295 560822564 /nfs/dbraw/zinc/82/25/64/560822564.db2.gz BGMVTEUMGWDEOV-AKIFATBCSA-N 0 3 416.452 4.494 50 0 HIAAHN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000014796336 560851491 /nfs/dbraw/zinc/85/14/91/560851491.db2.gz XGMHZWKIOQLTSG-UHFFFAOYSA-N 0 3 408.933 4.229 50 0 HIAAHN O[C@H](Cc1ccccc1)CN(Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104984408 560859051 /nfs/dbraw/zinc/85/90/51/560859051.db2.gz HJZYRRJFNFLEPM-DHIUTWEWSA-N 0 3 418.512 4.425 50 0 HIAAHN CN(C)C(=O)COc1cccc(CNCc2c(OC(F)F)ccc3ccccc32)c1 ZINC000048745654 568443415 /nfs/dbraw/zinc/44/34/15/568443415.db2.gz QSFXHEUZELFSSQ-UHFFFAOYSA-N 0 3 414.452 4.198 50 0 HIAAHN CCN1CCC(NC(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000022238112 568477220 /nfs/dbraw/zinc/47/72/20/568477220.db2.gz DIHCUSVMIVPWDB-UHFFFAOYSA-N 0 3 409.574 4.056 50 0 HIAAHN CCc1ccc2c(CC(=O)NC[C@H](c3cccc(OC)c3)N3CCCC3)coc2c1 ZINC000024973040 568516387 /nfs/dbraw/zinc/51/63/87/568516387.db2.gz DHHOIIIUDWEALV-HSZRJFAPSA-N 0 3 406.526 4.500 50 0 HIAAHN CCN1CCN(Cc2ccc(NC(=O)c3ccc4c(c3)N(CC)CCS4)cc2)CC1 ZINC000020355120 568599740 /nfs/dbraw/zinc/59/97/40/568599740.db2.gz QGRYMGVSYUALFO-UHFFFAOYSA-N 0 3 424.614 4.008 50 0 HIAAHN Cc1cc2sc(N3CCC[C@@H](C(=O)NCCN4CCCC[C@H]4C)C3)nc2c(C)c1 ZINC000020383885 568602784 /nfs/dbraw/zinc/60/27/84/568602784.db2.gz WSCQJELSEOAECD-RTBURBONSA-N 0 3 414.619 4.120 50 0 HIAAHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000095408034 568606318 /nfs/dbraw/zinc/60/63/18/568606318.db2.gz XVCGPRDEXSZEKB-UZLBHIALSA-N 0 3 406.448 4.111 50 0 HIAAHN COc1ccccc1[C@H](c1c(O)cc(C)n(Cc2ccco2)c1=O)N1CCCCC1 ZINC000021098117 568666024 /nfs/dbraw/zinc/66/60/24/568666024.db2.gz ULWACPYLIXRMPU-HSZRJFAPSA-N 0 3 408.498 4.088 50 0 aggregator HIAAHN COC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000225770721 568672999 /nfs/dbraw/zinc/67/29/99/568672999.db2.gz IHRBAUWKEGMRHW-UWJYYQICSA-N 0 3 420.475 4.487 50 0 HIAAHN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)CN3CCCC3)cc21 ZINC000021167925 568675053 /nfs/dbraw/zinc/67/50/53/568675053.db2.gz OHAMYOOOPKVYRJ-NRFANRHFSA-N 0 3 406.526 4.285 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4C)[C@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000229969078 568716305 /nfs/dbraw/zinc/71/63/05/568716305.db2.gz CFPAIWKZMJGJHM-PWRODBHTSA-N 0 3 404.491 4.416 50 0 HIAAHN COc1ccccc1CCNCc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000253613520 568755252 /nfs/dbraw/zinc/75/52/52/568755252.db2.gz JSLRNXZLSQZQCA-UHFFFAOYSA-N 0 3 416.500 4.473 50 0 HIAAHN CC1=C(C(=O)Nc2cc(C)cc(C)c2)C2(CCN(Cc3ccccc3)CC2)OC1=O ZINC000021868309 568755902 /nfs/dbraw/zinc/75/59/02/568755902.db2.gz MLECOUVJTDKQRS-UHFFFAOYSA-N 0 3 404.510 4.150 50 0 HIAAHN N=c1n(CCN2CCCCC2)c2ccccc2n1C[C@H](O)c1cccc2ccccc21 ZINC000001196849 568823089 /nfs/dbraw/zinc/82/30/89/568823089.db2.gz KBGIOFMNKUTCLO-VWLOTQADSA-N 0 3 414.553 4.295 50 0 HIAAHN CCOc1ccc([C@@H](O)CN2CCC(c3nc(-c4ccc(OC)cc4)no3)CC2)cc1 ZINC000057509323 568847655 /nfs/dbraw/zinc/84/76/55/568847655.db2.gz XRUCZIHRADFUAE-QFIPXVFZSA-N 0 3 423.513 4.057 50 0 HIAAHN Cc1nc(-c2cccnc2)ncc1C(=O)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000670437075 568877496 /nfs/dbraw/zinc/87/74/96/568877496.db2.gz VVTRYXCZMJLDRF-QHCPKHFHSA-N 0 3 415.541 4.194 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000004110927 568944040 /nfs/dbraw/zinc/94/40/40/568944040.db2.gz RHXGJHVZAGXKTP-GUDVDZBRSA-N 0 3 410.882 4.453 50 0 HIAAHN COc1ccc(NC(=O)[C@@H]2C[C@@H](CC(C)C)N[C@@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000229661280 568950926 /nfs/dbraw/zinc/95/09/26/568950926.db2.gz CLFJDEZIXUJXCH-QLWBXOBMSA-N 0 3 421.541 4.122 50 0 HIAAHN COc1ccc([C@@H](CNC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)N(C)C)cc1 ZINC000008345471 568994410 /nfs/dbraw/zinc/99/44/10/568994410.db2.gz XFYTYUXTEZXNGI-MZNJEOGPSA-N 0 3 406.526 4.380 50 0 HIAAHN COc1ccc([C@@H](CNC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)N(C)C)cc1 ZINC000008345470 568994424 /nfs/dbraw/zinc/99/44/24/568994424.db2.gz XFYTYUXTEZXNGI-BXKMTCNYSA-N 0 3 406.526 4.380 50 0 HIAAHN COc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)N(C)C)cc1 ZINC000012845407 569010106 /nfs/dbraw/zinc/01/01/06/569010106.db2.gz LINHGNPQLBSWFC-HXUWFJFHSA-N 0 3 413.518 4.075 50 0 HIAAHN Cn1nc(-c2ccccc2Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000035276379 569016783 /nfs/dbraw/zinc/01/67/83/569016783.db2.gz SROIKVXFNKPKQR-UHFFFAOYSA-N 0 3 408.933 4.135 50 0 HIAAHN CCCCCN(CCCCC)C[C@H](C)NC(=O)CCS(=O)(=O)c1ccccc1 ZINC000006264158 569036165 /nfs/dbraw/zinc/03/61/65/569036165.db2.gz ZTDZZTLCWKCSGX-FQEVSTJZSA-N 0 3 410.624 4.038 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccnc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000226989361 569039957 /nfs/dbraw/zinc/03/99/57/569039957.db2.gz XAMWYDMNVIRRQK-KMDXXIMOSA-N 0 3 421.456 4.286 50 0 HIAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@]3(C)C2=O)cc1 ZINC000239402694 569054296 /nfs/dbraw/zinc/05/42/96/569054296.db2.gz RAYDPGXMQUXRBR-SLSDLSHTSA-N 0 3 414.461 4.136 50 0 HIAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C1=O ZINC000245311314 569055672 /nfs/dbraw/zinc/05/56/72/569055672.db2.gz NDIWNNJWRZVTDL-NJDAHSKKSA-N 0 3 419.868 4.095 50 0 HIAAHN CCn1cc(CN2CCC(C(=O)NCc3cccc(OC)c3)CC2)c2ccccc21 ZINC000064669837 569078849 /nfs/dbraw/zinc/07/88/49/569078849.db2.gz ABMQIDVQHCEIED-UHFFFAOYSA-N 0 3 405.542 4.198 50 0 HIAAHN COc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@H](O)Cc2ccccc2)cc1 ZINC000036102318 569091851 /nfs/dbraw/zinc/09/18/51/569091851.db2.gz AJNQQLVTZUUXQR-JOCHJYFZSA-N 0 3 405.494 4.030 50 0 HIAAHN COc1cccc(Oc2c(CN(C[C@H](C)O)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305648 569129516 /nfs/dbraw/zinc/12/95/16/569129516.db2.gz QLRHOYXNQGYHRS-SFHVURJKSA-N 0 3 421.541 4.481 50 0 HIAAHN Cc1cccc(NC(=O)N2CCC[C@H](CCC(=O)NCCN3CCCC[C@@H]3C)C2)c1 ZINC000065136596 569183375 /nfs/dbraw/zinc/18/33/75/569183375.db2.gz XQZVPFJRKSLDTP-LEWJYISDSA-N 0 3 414.594 4.010 50 0 HIAAHN COc1ccc([C@@H](NCCCn2cccn2)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606809 569244788 /nfs/dbraw/zinc/24/47/88/569244788.db2.gz QOUREQAGFOXTLT-LEWJYISDSA-N 0 3 414.550 4.012 50 0 HIAAHN CCN(C)[C@H](C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000089960835 569270145 /nfs/dbraw/zinc/27/01/45/569270145.db2.gz ZZYPOMUWCLMTOD-BWAGFHJFSA-N 0 3 417.956 4.281 50 0 HIAAHN COC(=O)c1sc2nc(C)nc(NC[C@H](c3ccco3)N3CCCCC3)c2c1C ZINC000007814916 569312694 /nfs/dbraw/zinc/31/26/94/569312694.db2.gz QMOCSTKBCUVOKS-OAHLLOKOSA-N 0 3 414.531 4.327 50 0 HIAAHN CC1CCN([C@@H](CNC(=O)c2cc3c(c(Cl)c2)OCO3)c2cccs2)CC1 ZINC000027573840 569374802 /nfs/dbraw/zinc/37/48/02/569374802.db2.gz OATZFTLOPCWMAO-INIZCTEOSA-N 0 3 406.935 4.333 50 0 HIAAHN Cc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccccc2F)s1 ZINC000002399669 569394771 /nfs/dbraw/zinc/39/47/71/569394771.db2.gz YKBAESJCVCPQOL-KRWDZBQOSA-N 0 3 407.426 4.150 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)NCc3cccc(C(F)(F)F)c3)c(C)c2)CC1 ZINC000040103855 571164728 /nfs/dbraw/zinc/16/47/28/571164728.db2.gz GFQFLXDPXQSHFD-UHFFFAOYSA-N 0 3 420.479 4.477 50 0 HIAAHN C[C@@H]1CN(C2CCN(c3ncnc4sc(-c5ccccc5)cc43)CC2)C[C@@H](C)O1 ZINC000040135263 571188284 /nfs/dbraw/zinc/18/82/84/571188284.db2.gz YOLYATPFCWUWJN-IAGOWNOFSA-N 0 3 408.571 4.436 50 0 HIAAHN COc1ccc(NC(=O)[C@@H]2C[C@H](CC(C)C)N[C@@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000009043694 571215222 /nfs/dbraw/zinc/21/52/22/571215222.db2.gz CLFJDEZIXUJXCH-HMHJJOSWSA-N 0 3 421.541 4.122 50 0 HIAAHN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(F)c1)N(CCCN(C)C)C3=O ZINC000010233138 571297553 /nfs/dbraw/zinc/29/75/53/571297553.db2.gz NHWPEZPDTUEYCI-OAQYLSRUSA-N 0 3 408.473 4.046 50 0 HIAAHN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccccc1)N(CCCN(C)C)C3=O ZINC000010233073 571297581 /nfs/dbraw/zinc/29/75/81/571297581.db2.gz YGFAWCSPNXWRMY-HXUWFJFHSA-N 0 3 410.901 4.252 50 0 HIAAHN COc1cccc(C(=O)NC[C@H](c2cccc3ccccc32)N2CCCC2)c1OC ZINC000010330563 571300512 /nfs/dbraw/zinc/30/05/12/571300512.db2.gz LRQDEZRJUMWORR-JOCHJYFZSA-N 0 3 404.510 4.424 50 0 HIAAHN COC(=O)Cn1cc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c2ccccc21 ZINC000011821656 845836796 /nfs/dbraw/zinc/83/67/96/845836796.db2.gz KRNDTKLLWBQSEM-INIZCTEOSA-N 0 3 420.488 4.298 50 0 HIAAHN Cc1ccc(CCC(=O)NC[C@@H]2CCC3(CCN(Cc4ccc(F)cc4)CC3)O2)cc1 ZINC000011838923 845837887 /nfs/dbraw/zinc/83/78/87/845837887.db2.gz VBSFAWQXDICCAZ-DEOSSOPVSA-N 0 3 424.560 4.397 50 0 HIAAHN CCCn1cc(CN2CC[C@@]3(C2)CCCN(Cc2cccc(F)c2F)C3)c(C)n1 ZINC000011950127 845842830 /nfs/dbraw/zinc/84/28/30/845842830.db2.gz SWIXBWMPWDOCQB-QHCPKHFHSA-N 0 3 402.533 4.368 50 0 HIAAHN O=C1c2cccc(N3CCN(C4CCCC4)CC3)c2C(=O)N1Cc1ccccc1Cl ZINC000012247389 845861740 /nfs/dbraw/zinc/86/17/40/845861740.db2.gz MZAIKIKUUYIJHW-UHFFFAOYSA-N 0 3 423.944 4.201 50 0 HIAAHN OC[C@@]1(CCOc2ccccc2)CCCN(Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000012298227 845865975 /nfs/dbraw/zinc/86/59/75/845865975.db2.gz FYZYOQQOWHXROR-RUZDIDTESA-N 0 3 419.525 4.313 50 0 HIAAHN CCOc1cc(/C=C/C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc(Cl)c1OC ZINC000012779938 845890573 /nfs/dbraw/zinc/89/05/73/845890573.db2.gz RUGOOWPJVXVQAJ-YXBWYFRISA-N 0 3 414.933 4.151 50 0 HIAAHN CCN(CCN(C)C)C(=O)c1sc2ncnc(N[C@H](C)c3cccs3)c2c1C ZINC000015071177 846005588 /nfs/dbraw/zinc/00/55/88/846005588.db2.gz ORAZKSACRWDMSE-CQSZACIVSA-N 0 3 417.604 4.258 50 0 HIAAHN COc1ccccc1/C=C/CN1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000020271338 846382007 /nfs/dbraw/zinc/38/20/07/846382007.db2.gz AULZSLANGMKZND-KXOMFBTKSA-N 0 3 421.585 4.004 50 0 HIAAHN O=C1CCN(Cc2cccc3cccnc32)CCN1Cc1ccccc1C(F)(F)F ZINC000064061602 851822849 /nfs/dbraw/zinc/82/28/49/851822849.db2.gz DUZJBJCWGBVTRQ-UHFFFAOYSA-N 0 3 413.443 4.488 50 0 HIAAHN Cc1ccc(C(=O)N(CCN(C)C)Cc2cc3cccc(C)c3nc2N(C)C)cc1 ZINC000299797894 854282000 /nfs/dbraw/zinc/28/20/00/854282000.db2.gz PGONDYQPJONRCP-UHFFFAOYSA-N 0 3 404.558 4.122 50 0 HIAAHN CCOc1ccccc1CN1CCC2(CC1)C[C@@H](Cc1nc(C3CC3)no1)CCO2 ZINC000575545595 948677164 /nfs/dbraw/zinc/67/71/64/948677164.db2.gz LIVJJMIOWJSHBG-GOSISDBHSA-N 0 3 411.546 4.350 50 0 HIAAHN CCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)no2)cc1 ZINC000032622785 520804433 /nfs/dbraw/zinc/80/44/33/520804433.db2.gz AXMQPJLIUGPHQV-JOCHJYFZSA-N 0 3 405.498 4.307 50 0 HIAAHN CCN(CC)[C@H](CNC(=O)c1cc(OC)ccc1Br)c1ccsc1 ZINC000031988660 520865935 /nfs/dbraw/zinc/86/59/35/520865935.db2.gz VFKORLOFAIRNTL-QGZVFWFLSA-N 0 3 411.365 4.332 50 0 HIAAHN CCN(CC)c1onc(-c2ccccc2)c1CN(C[C@@H](O)COC(C)C)CC1CC1 ZINC000036246095 520938817 /nfs/dbraw/zinc/93/88/17/520938817.db2.gz UJCSZMHJGIIRKV-OAQYLSRUSA-N 0 3 415.578 4.186 50 0 HIAAHN CCN1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccc4c(c3)CCC4)c(C)c2)CC1 ZINC000032772080 521699108 /nfs/dbraw/zinc/69/91/08/521699108.db2.gz KHLDJELZUUSFCO-LJQANCHMSA-N 0 3 406.574 4.065 50 0 HIAAHN COc1cc(CNC(C)(C)CO)cc(Br)c1OCc1ccccc1C ZINC000040733425 522439992 /nfs/dbraw/zinc/43/99/92/522439992.db2.gz UIMITOIKJFXIJO-UHFFFAOYSA-N 0 3 408.336 4.206 50 0 HIAAHN COc1cc(CN[C@@H](C)c2cccc(Cl)c2)ccc1OCC(=O)N1CCCC1 ZINC000025359312 522472777 /nfs/dbraw/zinc/47/27/77/522472777.db2.gz FXUHIKHUMGGKOX-INIZCTEOSA-N 0 3 402.922 4.201 50 0 HIAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2c[nH]c3ccccc23)C1 ZINC000045980541 524409562 /nfs/dbraw/zinc/40/95/62/524409562.db2.gz GGFKDSRJSSHFOQ-LJQANCHMSA-N 0 3 405.542 4.203 50 0 HIAAHN Cc1cccc(COc2ccc(Cl)cc2CNCCCSc2nnnn2C)c1 ZINC000040744831 524447157 /nfs/dbraw/zinc/44/71/57/524447157.db2.gz XUMOBXAUMJPNCF-UHFFFAOYSA-N 0 3 417.966 4.023 50 0 HIAAHN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000032814828 524754144 /nfs/dbraw/zinc/75/41/44/524754144.db2.gz XGDMKWCYIKCRML-MRXNPFEDSA-N 0 3 401.938 4.044 50 0 HIAAHN COc1ccc(S[C@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000072328166 525113147 /nfs/dbraw/zinc/11/31/47/525113147.db2.gz MAGMOWVUYKVSGY-MRXNPFEDSA-N 0 3 400.544 4.288 50 0 HIAAHN COc1cccc(CNCCc2ccc(F)cc2)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734657 526017794 /nfs/dbraw/zinc/01/77/94/526017794.db2.gz BWZVOXPXKGLBJB-UHFFFAOYSA-N 0 3 422.500 4.493 50 0 HIAAHN CSc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000032594008 526077403 /nfs/dbraw/zinc/07/74/03/526077403.db2.gz HEUORGNBNJZVBU-NRFANRHFSA-N 0 3 422.550 4.320 50 0 HIAAHN OCCOCCNCc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000040743146 527556823 /nfs/dbraw/zinc/55/68/23/527556823.db2.gz PUOUVEIVYZKCGO-UHFFFAOYSA-N 0 3 404.721 4.324 50 0 HIAAHN Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cnn1-c1ccc(Cl)cc1 ZINC000004324678 557541669 /nfs/dbraw/zinc/54/16/69/557541669.db2.gz FNWBWRHVMKSYAK-UHFFFAOYSA-N 0 3 408.933 4.229 50 0 HIAAHN Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cnn(-c5ccccc5)c4)C3)C2)c1 ZINC000011662263 558266128 /nfs/dbraw/zinc/26/61/28/558266128.db2.gz POEPXDKSEOLXQI-SANMLTNESA-N 0 3 414.553 4.309 50 0 HIAAHN COc1ccc2[nH]c(C(=O)N(C)CC3CCN(CCc4ccc(F)cc4)CC3)cc2c1 ZINC000011662391 558266248 /nfs/dbraw/zinc/26/62/48/558266248.db2.gz RRPBWIRAACBPMA-UHFFFAOYSA-N 0 3 423.532 4.342 50 0 HIAAHN COc1cccc(-c2nn(-c3ccccc3)cc2CN(C)CCn2ccnc2C)c1 ZINC000019792710 558283427 /nfs/dbraw/zinc/28/34/27/558283427.db2.gz GIQFUIVNWDXMCW-UHFFFAOYSA-N 0 3 401.514 4.185 50 0 HIAAHN Cc1c([C@H](C)NC2CCN(Cc3cccnc3)CC2)cnn1-c1ccc(F)cc1F ZINC000011821381 558284511 /nfs/dbraw/zinc/28/45/11/558284511.db2.gz WBSNAPFTWCMSEO-INIZCTEOSA-N 0 3 411.500 4.169 50 0 HIAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCCC[C@@H]2CO)cc1F ZINC000011873548 558291241 /nfs/dbraw/zinc/29/12/41/558291241.db2.gz SSKLFHMKTZYMSR-HXUWFJFHSA-N 0 3 409.505 4.342 50 0 HIAAHN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC([C@@H](C)N2CCOCC2)CC1 ZINC000011873356 558291299 /nfs/dbraw/zinc/29/12/99/558291299.db2.gz WKYMHFKKLVLEIC-MRXNPFEDSA-N 0 3 403.954 4.236 50 0 HIAAHN COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(Cc3ccc(CO)o3)C2)cc1 ZINC000011878497 558292835 /nfs/dbraw/zinc/29/28/35/558292835.db2.gz DAWWVVGXEOQCEZ-LJQANCHMSA-N 0 3 420.509 4.298 50 0 HIAAHN O=C(CCC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)N1CCOCC1 ZINC000011879730 558294284 /nfs/dbraw/zinc/29/42/84/558294284.db2.gz IBLHMJLXGLSBMT-UHFFFAOYSA-N 0 3 408.542 4.330 50 0 HIAAHN CCCOc1ccc(N2C(=O)C[C@H](NCCC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000019848205 558294911 /nfs/dbraw/zinc/29/49/11/558294911.db2.gz LRZVZUMYEPWATA-KIZRYQFWSA-N 0 3 410.558 4.303 50 0 HIAAHN CCOc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3CCc3ccccc3F)C2)cc1 ZINC000011997859 558307213 /nfs/dbraw/zinc/30/72/13/558307213.db2.gz UVORHYOTIPMCGJ-QPPBQGQZSA-N 0 3 410.533 4.280 50 0 HIAAHN Cc1cccc(-n2cc(CNCCN3CCCCC3=O)c(-c3cccc(F)c3)n2)c1 ZINC000012051915 558314340 /nfs/dbraw/zinc/31/43/40/558314340.db2.gz DWZRZSDZUKCHGW-UHFFFAOYSA-N 0 3 406.505 4.089 50 0 HIAAHN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020036848 558325134 /nfs/dbraw/zinc/32/51/34/558325134.db2.gz HBIMSLFXCJQNRH-UHFFFAOYSA-N 0 3 400.478 4.268 50 0 HIAAHN CCCCc1nc(CN2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c[nH]1 ZINC000020138448 558338241 /nfs/dbraw/zinc/33/82/41/558338241.db2.gz GJBIYNRDQTUSEQ-QFIPXVFZSA-N 0 3 416.013 4.192 50 0 HIAAHN CCCCc1ncc(CN2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)[nH]1 ZINC000020138448 558338244 /nfs/dbraw/zinc/33/82/44/558338244.db2.gz GJBIYNRDQTUSEQ-QFIPXVFZSA-N 0 3 416.013 4.192 50 0 HIAAHN CC(=O)NC[C@H]1CCCN(Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)C1 ZINC000012300119 558370103 /nfs/dbraw/zinc/37/01/03/558370103.db2.gz PHUXNENBROMIGZ-HXUWFJFHSA-N 0 3 408.590 4.483 50 0 HIAAHN COCc1ccc(CN2CCC(CCC(=O)Nc3ccc(OC)cc3OC)CC2)o1 ZINC000012315076 558378641 /nfs/dbraw/zinc/37/86/41/558378641.db2.gz SZEHGLAQAVBSLV-UHFFFAOYSA-N 0 3 416.518 4.074 50 0 HIAAHN O=C(CC[C@H]1CCCN(Cc2ccc(CO)o2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012387489 558396516 /nfs/dbraw/zinc/39/65/16/558396516.db2.gz VNSHOZIZKFPSPS-OAHLLOKOSA-N 0 3 410.436 4.422 50 0 HIAAHN CCCCN(C)C(=O)c1nc2ccccn2c1CNCCCn1ccc2ccccc21 ZINC000012444399 558413213 /nfs/dbraw/zinc/41/32/13/558413213.db2.gz QAPWEJFVQUYYRX-UHFFFAOYSA-N 0 3 417.557 4.341 50 0 HIAAHN CCN(CCN1CCCC1)C(=O)c1cc(COc2cc(C)c(Cl)c(C)c2)on1 ZINC000012590183 558435333 /nfs/dbraw/zinc/43/53/33/558435333.db2.gz SNLKIOLSYFYCGX-UHFFFAOYSA-N 0 3 405.926 4.082 50 0 HIAAHN COc1ccc(CNC[C@H](c2cccs2)N2CCC(C)CC2)c(OC)c1OC ZINC000021841291 558451743 /nfs/dbraw/zinc/45/17/43/558451743.db2.gz WILIMXPPGYUFJO-GOSISDBHSA-N 0 3 404.576 4.337 50 0 HIAAHN CCOc1cc(CNCCN(C)C)cc(Br)c1OCc1ccccc1 ZINC000022075447 558462378 /nfs/dbraw/zinc/46/23/78/558462378.db2.gz ZVRFWAWBVPEFSG-UHFFFAOYSA-N 0 3 407.352 4.078 50 0 HIAAHN CC(C)[C@@H](NCC(=O)N1CC=C(c2ccccc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000012794651 558467700 /nfs/dbraw/zinc/46/77/00/558467700.db2.gz NVKOOQUKXFJGOP-AREMUKBSSA-N 0 3 420.553 4.451 50 0 HIAAHN CN(C[C@H](O)COCc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000023238134 558544939 /nfs/dbraw/zinc/54/49/39/558544939.db2.gz IDPPVBCRAKJMDN-DHLKQENFSA-N 0 3 423.484 4.153 50 0 HIAAHN CCN1C[C@H](CN(C)Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1=O ZINC000013594457 558546847 /nfs/dbraw/zinc/54/68/47/558546847.db2.gz QCGWBWHIOXGCBH-NRFANRHFSA-N 0 3 416.569 4.456 50 0 HIAAHN CCOc1cc(CNCCCN2CCCC2=O)cc(Cl)c1OCc1ccccc1 ZINC000013727616 558584938 /nfs/dbraw/zinc/58/49/38/558584938.db2.gz HNMTVOTYLCHFNU-UHFFFAOYSA-N 0 3 416.949 4.420 50 0 HIAAHN COc1ccccc1-c1nc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cs1 ZINC000013731244 558586787 /nfs/dbraw/zinc/58/67/87/558586787.db2.gz KVUHYFJBHHZJGI-UHFFFAOYSA-N 0 3 421.566 4.142 50 0 HIAAHN Cc1oc2cc3oc(=O)c(CC(=O)NCCN(C)C)c(C)c3cc2c1-c1ccccc1 ZINC000013735023 558588213 /nfs/dbraw/zinc/58/82/13/558588213.db2.gz GEQAWOHZWYZIOA-UHFFFAOYSA-N 0 3 418.493 4.043 50 0 HIAAHN CN(C)Cc1ccc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000014120193 558622344 /nfs/dbraw/zinc/62/23/44/558622344.db2.gz MSZUGXURTBXIII-UHFFFAOYSA-N 0 3 402.520 4.283 50 0 HIAAHN COc1ccc([C@H](CNC[C@@H](O)COc2ccc3ccccc3c2)N2CCCC2)cc1 ZINC000025764588 558649284 /nfs/dbraw/zinc/64/92/84/558649284.db2.gz NBIHFXFSUINSAU-BVAGGSTKSA-N 0 3 420.553 4.015 50 0 HIAAHN CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCc1ccc(C)c(F)c1)C2 ZINC000014534445 558657594 /nfs/dbraw/zinc/65/75/94/558657594.db2.gz VAMZBWYXFGQKTL-LJQANCHMSA-N 0 3 412.553 4.014 50 0 HIAAHN Cc1cccc(N2CCN(CCCCNC(=O)CSc3ccccc3C)CC2)c1 ZINC000026954370 558667557 /nfs/dbraw/zinc/66/75/57/558667557.db2.gz XDTLXWFIDCAKPX-UHFFFAOYSA-N 0 3 411.615 4.114 50 0 HIAAHN COc1cc(CCC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc(OC)c1 ZINC000027574500 558675279 /nfs/dbraw/zinc/67/52/79/558675279.db2.gz ZZGBAMKBJQFFLL-NRFANRHFSA-N 0 3 416.587 4.287 50 0 HIAAHN CCc1ccc(CN2CCC3(C[C@H]3C(=O)NCCc3ccccc3OC)CC2)cc1 ZINC000014879257 558675470 /nfs/dbraw/zinc/67/54/70/558675470.db2.gz WDWWRUNAZXQOHB-QHCPKHFHSA-N 0 3 406.570 4.219 50 0 HIAAHN CCc1ccc(CN2CCC3(C[C@@H]3C(=O)NCCc3ccccc3OC)CC2)cc1 ZINC000014879256 558675576 /nfs/dbraw/zinc/67/55/76/558675576.db2.gz WDWWRUNAZXQOHB-HSZRJFAPSA-N 0 3 406.570 4.219 50 0 HIAAHN CCc1ccc(CN2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)o1 ZINC000014949970 558680814 /nfs/dbraw/zinc/68/08/14/558680814.db2.gz LBJJSPIKWQBZRZ-SFHVURJKSA-N 0 3 414.546 4.168 50 0 HIAAHN COc1ccc(C(=O)NC2CC2)c(OC2CCN(Cc3ccc(C)s3)CC2)c1 ZINC000014951199 558681124 /nfs/dbraw/zinc/68/11/24/558681124.db2.gz CURIERSTGWZKBZ-UHFFFAOYSA-N 0 3 400.544 4.001 50 0 HIAAHN COc1ccccc1CN1CCC[C@@H](c2nnc(SCc3ccccc3)n2C)C1 ZINC000015000615 558697591 /nfs/dbraw/zinc/69/75/91/558697591.db2.gz BVPVWGJYCGRMJF-HXUWFJFHSA-N 0 3 408.571 4.496 50 0 HIAAHN COc1cc(CN2CCC(C(=O)N3CCCC3)CC2)ccc1OCc1ccccc1 ZINC000004551360 558703893 /nfs/dbraw/zinc/70/38/93/558703893.db2.gz VCCOXXLTNBALMI-UHFFFAOYSA-N 0 3 408.542 4.109 50 0 HIAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)Cc2cccnc2)CC1 ZINC000015064437 558707233 /nfs/dbraw/zinc/70/72/33/558707233.db2.gz LNJUNJVKGQMCLG-UHFFFAOYSA-N 0 3 409.574 4.030 50 0 HIAAHN Cc1ccc(-n2cc(CNCCN3CCCCC3=O)c(-c3cccc(C)c3)n2)cc1 ZINC000015071113 558712999 /nfs/dbraw/zinc/71/29/99/558712999.db2.gz VOHUNXHZMPYUDD-UHFFFAOYSA-N 0 3 402.542 4.258 50 0 HIAAHN CCCNCC(=O)Nc1sc2c(c1C(=O)Nc1cc(Cl)ccc1OC)CCC2 ZINC000004554282 558721729 /nfs/dbraw/zinc/72/17/29/558721729.db2.gz NLTUVPXIQUBZAU-UHFFFAOYSA-N 0 3 421.950 4.089 50 0 HIAAHN CCOc1ccc2ccccc2c1CNC[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000072289908 558724336 /nfs/dbraw/zinc/72/43/36/558724336.db2.gz OPYNDJBGSQLVEV-FQEVSTJZSA-N 0 3 403.526 4.356 50 0 HIAAHN O=C(CC1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000030937575 558744954 /nfs/dbraw/zinc/74/49/54/558744954.db2.gz PVVDZJGVVUQBTD-IBGZPJMESA-N 0 3 410.424 4.174 50 0 HIAAHN CCS[C@@H]1CC[C@@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000072303493 558755954 /nfs/dbraw/zinc/75/59/54/558755954.db2.gz GLIYGQSVFUSNAY-LMMKCTJWSA-N 0 3 400.510 4.231 50 0 HIAAHN COc1ccc(CNC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)cc1OC ZINC000071281978 558764930 /nfs/dbraw/zinc/76/49/30/558764930.db2.gz XRVVOPGCPLEEKY-UHFFFAOYSA-N 0 3 416.521 4.041 50 0 HIAAHN CCc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000016741933 558803851 /nfs/dbraw/zinc/80/38/51/558803851.db2.gz RWAOYTGQRHGUNA-HSZRJFAPSA-N 0 3 418.537 4.469 50 0 HIAAHN CN(C)CCN(Cc1csc(COc2ccccc2)n1)C(=O)c1ccc(F)cc1 ZINC000036114620 558864742 /nfs/dbraw/zinc/86/47/42/558864742.db2.gz SWSGXBXAXJJBGM-UHFFFAOYSA-N 0 3 413.518 4.065 50 0 HIAAHN COCCNC(=O)c1ccc(OC2CCN(Cc3ccc(C)s3)CC2)c(Cl)c1 ZINC000055036535 558870078 /nfs/dbraw/zinc/87/00/78/558870078.db2.gz CTIFKCZRGZGYTP-UHFFFAOYSA-N 0 3 422.978 4.130 50 0 HIAAHN O=C(NCCN1CCCCCC1)c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000033129608 558885450 /nfs/dbraw/zinc/88/54/50/558885450.db2.gz BGXKUUFLWFYMAQ-UHFFFAOYSA-N 0 3 408.477 4.149 50 0 HIAAHN O=C(NC1CCCCCCC1)[C@@H]1c2ccccc2C(=O)N1CCCN1CCCCC1 ZINC000004686226 558895480 /nfs/dbraw/zinc/89/54/80/558895480.db2.gz VNCAZVNSWLKYTI-QHCPKHFHSA-N 0 3 411.590 4.289 50 0 HIAAHN OCC1CCN(Cc2ccccc2NCc2ccc(Br)cc2F)CC1 ZINC000060381886 558948133 /nfs/dbraw/zinc/94/81/33/558948133.db2.gz KMGYKIWVEMPCSN-UHFFFAOYSA-N 0 3 407.327 4.405 50 0 HIAAHN Cc1cccc2cc(CN3CCN(C)[C@H](CCO)C3)c(-c3cccc(Cl)c3)nc12 ZINC000072412250 558977756 /nfs/dbraw/zinc/97/77/56/558977756.db2.gz IZPKBHYCBIMNRY-JOCHJYFZSA-N 0 3 409.961 4.362 50 0 HIAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCCN(C)CC2)cc1F ZINC000072425880 558978975 /nfs/dbraw/zinc/97/89/75/558978975.db2.gz CPISKYAJLKVQRK-UHFFFAOYSA-N 0 3 408.521 4.133 50 0 HIAAHN Cc1cccc(-c2ccc(NC(=O)C3CCN(c4cc(C)nc(N)n4)CC3)cc2)c1 ZINC000095517312 559084646 /nfs/dbraw/zinc/08/46/46/559084646.db2.gz PAAYAAKXGQVBIO-UHFFFAOYSA-N 0 3 401.514 4.198 50 0 HIAAHN Cc1cc(C)cc(-n2ccnc2SCC(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000011544198 559089571 /nfs/dbraw/zinc/08/95/71/559089571.db2.gz ZFOQSFSTEKJPQT-OAQYLSRUSA-N 0 3 408.571 4.000 50 0 HIAAHN Cc1ccc(NC(=O)COc2ccccc2CNCCc2nc3ccccc3[nH]2)cc1 ZINC000113400996 559180721 /nfs/dbraw/zinc/18/07/21/559180721.db2.gz FFQUPTVMFSCEMB-UHFFFAOYSA-N 0 3 414.509 4.221 50 0 HIAAHN Cc1cc(O)c([C@H](c2cccc(F)c2)N2CCC(C)CC2)c(=O)n1Cc1ccccn1 ZINC000024023061 559187841 /nfs/dbraw/zinc/18/78/41/559187841.db2.gz PTPJPFHCUFPKNJ-DEOSSOPVSA-N 0 3 421.516 4.266 50 0 HIAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(OC)c(OC)c3)=NN12 ZINC000005092101 559243892 /nfs/dbraw/zinc/24/38/92/559243892.db2.gz ZATXLCPZSKSJCW-NRFANRHFSA-N 0 3 421.541 4.449 50 0 HIAAHN Cc1ccc2nc(N(Cc3ccccn3)C(=O)C3COc4ccccc4O3)sc2c1 ZINC000005265056 560553401 /nfs/dbraw/zinc/55/34/01/560553401.db2.gz LOZZENKMQCTGMH-FQEVSTJZSA-N 0 3 417.490 4.373 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3F)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000005555194 560609052 /nfs/dbraw/zinc/60/90/52/560609052.db2.gz UABRJPJIQRLWQC-NJDAHSKKSA-N 0 3 406.388 4.016 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)c(C)c1 ZINC000102708455 560820808 /nfs/dbraw/zinc/82/08/08/560820808.db2.gz LKAMQFQKVLEIFI-DNVJHFABSA-N 0 3 414.461 4.060 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4F)[C@H]3C2=O)cc1 ZINC000102763166 560824918 /nfs/dbraw/zinc/82/49/18/560824918.db2.gz RPNKTIDKSYHAFW-BHIFYINESA-N 0 3 402.425 4.185 50 0 HIAAHN Cc1cc(C)c(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)c(C)c1 ZINC000103561044 560843176 /nfs/dbraw/zinc/84/31/76/560843176.db2.gz JCBOXEYMRLXMJU-AKIFATBCSA-N 0 3 413.477 4.058 50 0 HIAAHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@H]3C2=O)c(C)c1 ZINC000103561044 560843178 /nfs/dbraw/zinc/84/31/78/560843178.db2.gz JCBOXEYMRLXMJU-AKIFATBCSA-N 0 3 413.477 4.058 50 0 HIAAHN Cc1cc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2F)c(C)s1 ZINC000046057256 568426070 /nfs/dbraw/zinc/42/60/70/568426070.db2.gz QBAAITLKSZBGGD-AWEZNQCLSA-N 0 3 401.438 4.446 50 0 HIAAHN COc1c(Br)cc(CNC[C@@H](O)c2ccccc2)cc1Br ZINC000020927317 568460641 /nfs/dbraw/zinc/46/06/41/568460641.db2.gz VSDUSQUKAGGDKP-OAHLLOKOSA-N 0 3 415.125 4.043 50 0 HIAAHN COc1cc(CN2CCC(C(=O)NC(C)(C)C)CC2)ccc1OCc1ccccc1 ZINC000000785877 568477074 /nfs/dbraw/zinc/47/70/74/568477074.db2.gz ADRBPSHKRJKDCP-UHFFFAOYSA-N 0 3 410.558 4.401 50 0 HIAAHN COc1ccc([C@H](CNC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)N(C)C)cc1 ZINC000022621348 568495728 /nfs/dbraw/zinc/49/57/28/568495728.db2.gz DIIJJIDKXVRHAV-QFIPXVFZSA-N 0 3 421.541 4.319 50 0 HIAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3C=C12 ZINC000020111195 568588503 /nfs/dbraw/zinc/58/85/03/568588503.db2.gz YPMLFSMYZFGFFZ-BFXCOLBMSA-N 0 3 408.586 4.118 50 0 HIAAHN CCN1CCC2(CC1)N=C(c1ccc(F)cc1)C(=S)N2C(=O)c1ccccc1C ZINC000020436138 568607227 /nfs/dbraw/zinc/60/72/27/568607227.db2.gz JHIFRBNTYOQAKU-UHFFFAOYSA-N 0 3 409.530 4.219 50 0 HIAAHN CCN1CCC2(CC1)N=C(c1ccc(F)cc1)C(=S)N2C(=O)c1cccc(F)c1 ZINC000020436121 568607258 /nfs/dbraw/zinc/60/72/58/568607258.db2.gz GVQKGMKRPMSVOY-UHFFFAOYSA-N 0 3 413.493 4.049 50 0 HIAAHN O=C(CSc1ncnc2c1sc1cccc(F)c12)NCCN1CCCCCC1 ZINC000021153435 568672814 /nfs/dbraw/zinc/67/28/14/568672814.db2.gz SEAHRYBWSUWKHL-UHFFFAOYSA-N 0 3 418.563 4.068 50 0 HIAAHN CCN1CCN(Cc2ccc(CNC(=O)/C=C(\C)CCc3ccccc3)cc2)CC1 ZINC000096402667 568750340 /nfs/dbraw/zinc/75/03/40/568750340.db2.gz GSPWLLUUZXGQEL-ZBJSNUHESA-N 0 3 405.586 4.019 50 0 HIAAHN CCN(CC)CCOC(=O)c1cnn2c1nc(-c1ccc(C)cc1)cc2C(F)(F)F ZINC000021789109 568753023 /nfs/dbraw/zinc/75/30/23/568753023.db2.gz JLZACGZNVDESTE-UHFFFAOYSA-N 0 3 420.435 4.222 50 0 HIAAHN CCN(CC)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccccc1 ZINC000002890455 568814979 /nfs/dbraw/zinc/81/49/79/568814979.db2.gz CWTSIBTUVNERAR-HXUWFJFHSA-N 0 3 410.901 4.333 50 0 HIAAHN Clc1cccc(Cn2nc(CNCCCn3ccnc3)c(-c3ccccc3)n2)c1 ZINC000261491667 568820129 /nfs/dbraw/zinc/82/01/29/568820129.db2.gz BTBUZEUHOVCZJD-UHFFFAOYSA-N 0 3 406.921 4.023 50 0 HIAAHN Fc1cccc(Cl)c1Cn1nc(CNCCCn2ccnc2)c(-c2ccccc2)n1 ZINC000261491968 568820177 /nfs/dbraw/zinc/82/01/77/568820177.db2.gz NBWHSVRZPFSJTP-UHFFFAOYSA-N 0 3 424.911 4.162 50 0 HIAAHN CC(C)[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000012516678 568840656 /nfs/dbraw/zinc/84/06/56/568840656.db2.gz KDIUGTWZWPKFNJ-VWLOTQADSA-N 0 3 423.557 4.374 50 0 HIAAHN COc1ccccc1NC(=O)C1CCN(Cc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000029911638 568850008 /nfs/dbraw/zinc/85/00/08/568850008.db2.gz JDTIRTNFRLOULR-UHFFFAOYSA-N 0 3 418.541 4.348 50 0 HIAAHN Cc1ccc([C@H](NCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000057547259 568852605 /nfs/dbraw/zinc/85/26/05/568852605.db2.gz HEDPYSADSXQTFP-XNMGPUDCSA-N 0 3 413.565 4.065 50 0 HIAAHN Cc1ccc([C@H](NCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000057547268 568852723 /nfs/dbraw/zinc/85/27/23/568852723.db2.gz HEDPYSADSXQTFP-AHKZPQOWSA-N 0 3 413.565 4.065 50 0 HIAAHN Cc1ccc([C@@H](NCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000057547271 568852850 /nfs/dbraw/zinc/85/28/50/568852850.db2.gz HEDPYSADSXQTFP-BDYUSTAISA-N 0 3 413.565 4.065 50 0 HIAAHN Cc1ccc(S(=O)(=O)NC(C)(C)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000003178789 568860103 /nfs/dbraw/zinc/86/01/03/568860103.db2.gz DTPXOPHEXZTIJV-UHFFFAOYSA-N 0 3 400.588 4.007 50 0 HIAAHN COc1ccc([C@@H](CNC(=O)Cc2c(Cl)cccc2Cl)N2CCCC2)cc1 ZINC000003334502 568882602 /nfs/dbraw/zinc/88/26/02/568882602.db2.gz AUWWKUNGDALURF-HXUWFJFHSA-N 0 3 407.341 4.498 50 0 HIAAHN CCN1CCC(N(Cc2cccs2)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000015679775 568966885 /nfs/dbraw/zinc/96/68/85/568966885.db2.gz SFORJSXTOGVVQI-UHFFFAOYSA-N 0 3 401.532 4.038 50 0 HIAAHN CCN(Cc1ccc2c(c1)OCO2)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000008188080 568980661 /nfs/dbraw/zinc/98/06/61/568980661.db2.gz IDVCDIOODFOVGB-HSZRJFAPSA-N 0 3 419.521 4.404 50 0 HIAAHN CCc1ccc2c(CC(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCC3)coc2c1 ZINC000008229569 568983350 /nfs/dbraw/zinc/98/33/50/568983350.db2.gz FKUWITPYZNJJHK-QHCPKHFHSA-N 0 3 406.526 4.500 50 0 HIAAHN CN(C)Cc1ccccc1CNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000012874958 569013482 /nfs/dbraw/zinc/01/34/82/569013482.db2.gz IMAQXERITYBGOB-UHFFFAOYSA-N 0 3 412.493 4.395 50 0 HIAAHN CCN(CC)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000012927697 569023990 /nfs/dbraw/zinc/02/39/90/569023990.db2.gz JXWJDGDNNAEWFI-FYYLOGMGSA-N 0 3 422.573 4.130 50 0 HIAAHN CCN(CC)[C@H](CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000012927701 569023996 /nfs/dbraw/zinc/02/39/96/569023996.db2.gz JXWJDGDNNAEWFI-JTHBVZDNSA-N 0 3 422.573 4.130 50 0 HIAAHN CCOC(=O)c1nc2cc(C)c(C)cc2nc1NC1CCN(Cc2ccccc2)CC1 ZINC000035396887 569034766 /nfs/dbraw/zinc/03/47/66/569034766.db2.gz OZBMQFZCLUGQBX-UHFFFAOYSA-N 0 3 418.541 4.500 50 0 HIAAHN CN(C)CCNC(=O)C[C@@H](c1c[nH]c2ccccc21)c1ccccc1C(F)(F)F ZINC000006734906 569041605 /nfs/dbraw/zinc/04/16/05/569041605.db2.gz NBESRZVVBXBNBL-QGZVFWFLSA-N 0 3 403.448 4.387 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4F)[C@H]3C2=O)c(C)c1 ZINC000245309108 569055717 /nfs/dbraw/zinc/05/57/17/569055717.db2.gz BEHNWZBSIRATNN-DNVJHFABSA-N 0 3 416.452 4.494 50 0 HIAAHN CCc1sc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1Br ZINC000006708192 569095438 /nfs/dbraw/zinc/09/54/38/569095438.db2.gz WVXOGHGJJZCHBV-UHFFFAOYSA-N 0 3 407.377 4.467 50 0 HIAAHN COc1ccc2c(c1)c(CN1CCC(C(=O)N[C@@H](C)c3ccccc3)CC1)cn2C ZINC000064669657 569078831 /nfs/dbraw/zinc/07/88/31/569078831.db2.gz CXZBDJOOLJZHRL-SFHVURJKSA-N 0 3 405.542 4.276 50 0 HIAAHN CCc1ccc(CNC(=O)C2CCN(Cc3cn(C)c4ccc(OC)cc34)CC2)cc1 ZINC000064669700 569078907 /nfs/dbraw/zinc/07/89/07/569078907.db2.gz FLRUNLPLHWOJCK-UHFFFAOYSA-N 0 3 419.569 4.278 50 0 HIAAHN Cc1ccc(C)c(CN(Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccccc2)c1 ZINC000036031687 569081067 /nfs/dbraw/zinc/08/10/67/569081067.db2.gz JQKMAGVQKHMHHG-QHCPKHFHSA-N 0 3 419.521 4.474 50 0 HIAAHN COc1cc(CN(CCC(C)C)C[C@H](O)COCc2ccccc2)cc(OC)c1 ZINC000036095132 569089840 /nfs/dbraw/zinc/08/98/40/569089840.db2.gz CRFOXPNYENHTMW-QFIPXVFZSA-N 0 3 401.547 4.130 50 0 HIAAHN CC(C)CC(=O)N(Cc1ccccc1F)C[C@H]1CC(c2ccc(N(C)C)cc2)=NO1 ZINC000006695642 569091654 /nfs/dbraw/zinc/09/16/54/569091654.db2.gz BITYTUYNHJJVBM-OAQYLSRUSA-N 0 3 411.521 4.460 50 0 HIAAHN COc1ccc(CN(Cc2ccccc2)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000036102172 569091835 /nfs/dbraw/zinc/09/18/35/569091835.db2.gz DANDMDXSEGBKJN-JOCHJYFZSA-N 0 3 407.510 4.146 50 0 HIAAHN COc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036102358 569091896 /nfs/dbraw/zinc/09/18/96/569091896.db2.gz OUBRMTJJTLZPGZ-XMMPIXPASA-N 0 3 409.501 4.414 50 0 HIAAHN COc1cccc(CN(C[C@@H]2CC(c3ccc(N(C)C)cc3)=NO2)C(=O)CC(C)C)c1 ZINC000006722554 569099691 /nfs/dbraw/zinc/09/96/91/569099691.db2.gz OBBKPMUAGPPEDU-QHCPKHFHSA-N 0 3 423.557 4.329 50 0 HIAAHN Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCN1CCCC[C@@H]1C ZINC000064820213 569102540 /nfs/dbraw/zinc/10/25/40/569102540.db2.gz SJVDEBQOOUIFEV-NSHDSACASA-N 0 3 412.353 4.078 50 0 HIAAHN CCCN(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C[C@@H](O)COCC ZINC000036249887 569119164 /nfs/dbraw/zinc/11/91/64/569119164.db2.gz BSYABDWUJIVZCQ-OAQYLSRUSA-N 0 3 415.578 4.187 50 0 HIAAHN COc1cccc([C@@H]2CN(Cc3ccncc3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000169679572 569126858 /nfs/dbraw/zinc/12/68/58/569126858.db2.gz NQCIRBLFTLMGGH-NOZRDPDXSA-N 0 3 423.601 4.446 50 0 HIAAHN CC(C)c1ccc(-c2ccnc3c(C(=O)NCCN4CCCCCC4)cnn32)cc1 ZINC000065026674 569155714 /nfs/dbraw/zinc/15/57/14/569155714.db2.gz RSGLRORXFBKQOU-UHFFFAOYSA-N 0 3 405.546 4.126 50 0 HIAAHN C[C@@H](Cc1ccco1)NC(=O)C1CCN(Cc2cn(C)c3ccc(Cl)cc23)CC1 ZINC000065060081 569163956 /nfs/dbraw/zinc/16/39/56/569163956.db2.gz LIEZIOXGWWBZRN-INIZCTEOSA-N 0 3 413.949 4.384 50 0 HIAAHN Cc1ccc(CNC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)CN(C)CC3)cc1 ZINC000006877424 569164306 /nfs/dbraw/zinc/16/43/06/569164306.db2.gz XHKLLDVLRDWMHV-KRWDZBQOSA-N 0 3 408.571 4.396 50 0 HIAAHN CCN1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000006877629 569164593 /nfs/dbraw/zinc/16/45/93/569164593.db2.gz KMDNDHIWGJNWFC-UHFFFAOYSA-N 0 3 417.456 4.212 50 0 HIAAHN Cc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)NCCN3CCCC[C@@H]3C)C2)c1 ZINC000065136598 569183390 /nfs/dbraw/zinc/18/33/90/569183390.db2.gz XQZVPFJRKSLDTP-SFTDATJTSA-N 0 3 414.594 4.010 50 0 HIAAHN CSc1ncc(C(=O)NCCCN(C)Cc2ccccc2)c(-c2ccccc2)n1 ZINC000006938212 569185363 /nfs/dbraw/zinc/18/53/63/569185363.db2.gz OCWKGJDKLNECCU-UHFFFAOYSA-N 0 3 406.555 4.117 50 0 HIAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000014043237 569258368 /nfs/dbraw/zinc/25/83/68/569258368.db2.gz SZSWUKSUYDIXHW-OAQYLSRUSA-N 0 3 408.505 4.301 50 0 HIAAHN CCN(C)[C@H](C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000252478025 569288672 /nfs/dbraw/zinc/28/86/72/569288672.db2.gz ZZYPOMUWCLMTOD-QIJUGHKUSA-N 0 3 417.956 4.281 50 0 HIAAHN CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(CC)CC)cc1 ZINC000002425540 569398513 /nfs/dbraw/zinc/39/85/13/569398513.db2.gz IQJWKVJOGYNSGR-QFIPXVFZSA-N 0 3 420.509 4.079 50 0 HIAAHN COc1ccc(CN(C)[C@@H]2CCCN(Cc3ccccc3F)C2)cc1Cn1cccn1 ZINC000019791240 569429866 /nfs/dbraw/zinc/42/98/66/569429866.db2.gz FHZOYSNBQPKFCS-HSZRJFAPSA-N 0 3 422.548 4.176 50 0 HIAAHN O=C(NCC1CCN(Cc2cccc(F)c2)CC1)c1cc2ccc3cccnc3c2[nH]1 ZINC000008596196 571087939 /nfs/dbraw/zinc/08/79/39/571087939.db2.gz UTYCFTQOSBCHRK-UHFFFAOYSA-N 0 3 416.500 4.497 50 0 HIAAHN COc1ccc([C@H](CNC(=O)c2cccc(NC(=O)c3cccs3)c2)N(C)C)cc1 ZINC000008748372 571111625 /nfs/dbraw/zinc/11/16/25/571111625.db2.gz HVVQRMVNQIOSBC-FQEVSTJZSA-N 0 3 423.538 4.042 50 0 HIAAHN Cc1nn(CC(C)C)c(Cl)c1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000008987408 571205923 /nfs/dbraw/zinc/20/59/23/571205923.db2.gz OJWMDKKJEDHPNA-UHFFFAOYSA-N 0 3 402.970 4.417 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000009427454 571257985 /nfs/dbraw/zinc/25/79/85/571257985.db2.gz FSDUJCWLMIKSOR-QHAWAJNXSA-N 0 3 420.852 4.097 50 0 HIAAHN O=C(C1COc2ccccc2O1)N(Cc1ccccn1)c1nc2c(cccc2F)s1 ZINC000010187588 571296075 /nfs/dbraw/zinc/29/60/75/571296075.db2.gz LDXBAUJGTQPKBL-SFHVURJKSA-N 0 3 421.453 4.204 50 0 HIAAHN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(F)cc1)N(CCCN(C)C)C3=O ZINC000010233140 571297510 /nfs/dbraw/zinc/29/75/10/571297510.db2.gz WYPUEVLMQFLQLD-OAQYLSRUSA-N 0 3 408.473 4.046 50 0 HIAAHN COc1ccc(Br)c(C(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000010280848 571299327 /nfs/dbraw/zinc/29/93/27/571299327.db2.gz JVYNFEHQDJGMBP-UHFFFAOYSA-N 0 3 417.347 4.374 50 0 HIAAHN Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N2CCCC2)cc1F ZINC000010334075 571300667 /nfs/dbraw/zinc/30/06/67/571300667.db2.gz ABUNUUUGCREXER-HSZRJFAPSA-N 0 3 419.500 4.179 50 0 HIAAHN COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1cccc2ccccc21)N1CCCC1 ZINC000010335661 571300833 /nfs/dbraw/zinc/30/08/33/571300833.db2.gz BAVFCIALWPICII-JOCHJYFZSA-N 0 3 424.566 4.272 50 0 HIAAHN Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4cccc(C)n4)CC3)cc2)n1 ZINC000011817283 845836327 /nfs/dbraw/zinc/83/63/27/845836327.db2.gz XGRSFJAYIQGPIO-UHFFFAOYSA-N 0 3 403.530 4.043 50 0 HIAAHN COc1ccccc1/C=C/CN1CCC[C@H](CCC(=O)N(C)CCc2ccccn2)C1 ZINC000012449471 845871297 /nfs/dbraw/zinc/87/12/97/845871297.db2.gz NKWHYJLVQMDWEO-YVWYTEFXSA-N 0 3 421.585 4.297 50 0 HIAAHN CCOc1cccc([C@@H]2C[C@H]3CN(Cc4ccc(OC)cc4)C(=O)[C@]34CCCN24)c1 ZINC000012458091 845872339 /nfs/dbraw/zinc/87/23/39/845872339.db2.gz CLBOHSWSTXJQMO-OPHFCASCSA-N 0 3 406.526 4.032 50 0 HIAAHN COc1cc2c(cc1OC)CN([C@H]1CCCN(Cc3cc4ccccc4o3)C1)CC2 ZINC000023375224 846691312 /nfs/dbraw/zinc/69/13/12/846691312.db2.gz GPJFAWXGBQOZKL-NRFANRHFSA-N 0 3 406.526 4.473 50 0 HIAAHN Clc1ccccc1-c1nc(N2CCNCC2)nc2ccc(Br)cc21 ZINC000001299986 132243821 /nfs/dbraw/zinc/24/38/21/132243821.db2.gz NSBOZKPYCFWSMN-UHFFFAOYSA-N 0 3 403.711 4.122 50 0 HIAAHN Cn1cc(CNC2CCN(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)CC2)cn1 ZINC000012135443 132354830 /nfs/dbraw/zinc/35/48/30/132354830.db2.gz GGVQUOHMXJJXHN-UHFFFAOYSA-N 0 3 423.948 4.084 50 0 HIAAHN O=C(CN[C@@H](Cc1ccccc1)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000012527417 132361882 /nfs/dbraw/zinc/36/18/82/132361882.db2.gz QXHJNCRRVNNCMF-VWLOTQADSA-N 0 3 415.537 4.035 50 0 HIAAHN CCCOc1ccc(N2C(=O)C[C@@H](NCCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000020406570 520383515 /nfs/dbraw/zinc/38/35/15/520383515.db2.gz JPBWWFZMLWEPJQ-LJQANCHMSA-N 0 3 421.324 4.246 50 0 HIAAHN CCCN(Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@@H](O)COCC(C)C ZINC000036246073 521678416 /nfs/dbraw/zinc/67/84/16/521678416.db2.gz BOBRIFFJDGOPAV-OAQYLSRUSA-N 0 3 417.594 4.433 50 0 HIAAHN CC[C@H](CO)NCc1cc(Br)c(OCc2ccccc2C)c(OC)c1 ZINC000040733452 522228587 /nfs/dbraw/zinc/22/85/87/522228587.db2.gz HRTQYNMVHKAUCF-QGZVFWFLSA-N 0 3 408.336 4.206 50 0 HIAAHN COc1cc(CNCCCCO)cc(Br)c1OCc1ccccc1C ZINC000040744271 522447696 /nfs/dbraw/zinc/44/76/96/522447696.db2.gz GBLDBOBKGXXZLN-UHFFFAOYSA-N 0 3 408.336 4.207 50 0 HIAAHN COc1ccc(CNC[C@H](c2ccccc2OC)N2CCCC2)cc1Br ZINC000025361544 524071994 /nfs/dbraw/zinc/07/19/94/524071994.db2.gz NIMKXOGZDYALOX-LJQANCHMSA-N 0 3 419.363 4.393 50 0 HIAAHN COc1ccc(N[C@@H]2CCCN(Cc3cn(C)nc3-c3ccccc3)C2)cc1OC ZINC000020587018 524705204 /nfs/dbraw/zinc/70/52/04/524705204.db2.gz MHSWJRHOZNSLLL-OAQYLSRUSA-N 0 3 406.530 4.181 50 0 HIAAHN Cc1ccccc1CN1CCC(NC(=O)NCCc2cccc3cccnc32)CC1 ZINC000045410834 525138102 /nfs/dbraw/zinc/13/81/02/525138102.db2.gz LSLFWIXNACWNMX-UHFFFAOYSA-N 0 3 402.542 4.050 50 0 HIAAHN COc1cccc(C(=O)[C@@H]2CCCN(C3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000012449036 537088519 /nfs/dbraw/zinc/08/85/19/537088519.db2.gz OBKWHCDMAKAUTN-HXUWFJFHSA-N 0 3 408.542 4.268 50 0 HIAAHN O=C(COc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccccc1)CC2)NC1CC1 ZINC000034671498 557362982 /nfs/dbraw/zinc/36/29/82/557362982.db2.gz FWCIXZXWMBAFOM-HHHXNRCGSA-N 0 3 412.533 4.492 50 0 HIAAHN CC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC[C@H](O)CN3CCCCC3)cc21 ZINC000002979198 557434693 /nfs/dbraw/zinc/43/46/93/557434693.db2.gz ZWJOSWADMBBFKV-OAQYLSRUSA-N 0 3 406.526 4.367 50 0 HIAAHN COc1cccc(CN2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1 ZINC000006762188 557719993 /nfs/dbraw/zinc/71/99/93/557719993.db2.gz SBJJZCTXAHQMMQ-DEOSSOPVSA-N 0 3 406.570 4.389 50 0 HIAAHN c1coc([C@@H](CNCc2cn(-c3ccccc3)nc2-c2cccnc2)N2CCCC2)c1 ZINC000022786083 557820308 /nfs/dbraw/zinc/82/03/08/557820308.db2.gz UBAXKYREVXTKQK-HSZRJFAPSA-N 0 3 413.525 4.454 50 0 HIAAHN c1ccc(COc2ccccc2CNCCSc2nnnn2-c2ccccc2)cc1 ZINC000009249982 557832624 /nfs/dbraw/zinc/83/26/24/557832624.db2.gz QOCQRDWAPRIFHO-UHFFFAOYSA-N 0 3 417.538 4.123 50 0 HIAAHN CN(C(=O)c1ccccc1-n1cccn1)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000011661414 558265365 /nfs/dbraw/zinc/26/53/65/558265365.db2.gz ONMKUISXPNHYGQ-JOCHJYFZSA-N 0 3 402.542 4.042 50 0 HIAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CCc2ccc(F)cc2)C1 ZINC000011879935 558294510 /nfs/dbraw/zinc/29/45/10/558294510.db2.gz ZXXMAQOPOCLYAZ-NRFANRHFSA-N 0 3 412.549 4.180 50 0 HIAAHN Cc1ccccc1CN1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 ZINC000012112320 558326678 /nfs/dbraw/zinc/32/66/78/558326678.db2.gz WERFHPHBYMAGOI-UHFFFAOYSA-N 0 3 418.541 4.436 50 0 HIAAHN COc1cccc(CN2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)c1 ZINC000020211785 558347703 /nfs/dbraw/zinc/34/77/03/558347703.db2.gz PIOYIDIPPJVFGP-HXUWFJFHSA-N 0 3 408.571 4.496 50 0 HIAAHN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(Cc4cnn(C)c4C)C3)cc2)c1 ZINC000012203652 558351911 /nfs/dbraw/zinc/35/19/11/558351911.db2.gz WXBVOUWKWNJERR-OAQYLSRUSA-N 0 3 418.541 4.255 50 0 HIAAHN O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1cc(F)cc(F)c1 ZINC000012204766 558352282 /nfs/dbraw/zinc/35/22/82/558352282.db2.gz PYYYTBOJZZJEGD-QGZVFWFLSA-N 0 3 422.859 4.018 50 0 HIAAHN CCOC(=O)N1CCC(N2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000012437537 558409319 /nfs/dbraw/zinc/40/93/19/558409319.db2.gz SZUBPVXREJAAFS-IBGZPJMESA-N 0 3 400.563 4.500 50 0 HIAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)c2ccc(CSC)o2)cc1 ZINC000012440274 558411544 /nfs/dbraw/zinc/41/15/44/558411544.db2.gz MUGHJLNDIADLCU-UHFFFAOYSA-N 0 3 416.587 4.178 50 0 HIAAHN CCCOc1c(Br)cc(CNC[C@H](O)c2ccccc2)cc1OCC ZINC000020932484 558424346 /nfs/dbraw/zinc/42/43/46/558424346.db2.gz RPISRWPEQLDSNT-SFHVURJKSA-N 0 3 408.336 4.460 50 0 HIAAHN Cc1cccc(CN2C(=O)C(CC(=O)Nc3ccccc3)n3c4ccccc4nc32)c1 ZINC000021005930 558428971 /nfs/dbraw/zinc/42/89/71/558428971.db2.gz XTVCGPUTXPHIMS-QFIPXVFZSA-N 0 3 410.477 4.461 50 0 HIAAHN Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CCC[C@H](C(N)=O)C2)c(C)s1 ZINC000012596705 558437972 /nfs/dbraw/zinc/43/79/72/558437972.db2.gz NDXSFRJWHHXSJV-INIZCTEOSA-N 0 3 412.534 4.054 50 0 HIAAHN CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(Cc2ccc(NC(C)=O)cc2)C1 ZINC000012710488 558452253 /nfs/dbraw/zinc/45/22/53/558452253.db2.gz FAQOKGTXTODEAO-VWLOTQADSA-N 0 3 408.542 4.341 50 0 HIAAHN COc1ccc(CCN2CCC[C@H](CN(C)Cc3csc(C(C)=O)c3)C2)cc1 ZINC000012835407 558478148 /nfs/dbraw/zinc/47/81/48/558478148.db2.gz HOYLVKNZWUGEJS-HXUWFJFHSA-N 0 3 400.588 4.346 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000013662033 558559932 /nfs/dbraw/zinc/55/99/32/558559932.db2.gz GZHKIWXLDRAFST-NJDAHSKKSA-N 0 3 420.852 4.097 50 0 HIAAHN CCOc1cc(CNCc2ccc(C)cc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717732 558580199 /nfs/dbraw/zinc/58/01/99/558580199.db2.gz YKQVKCPMDKTEPB-UHFFFAOYSA-N 0 3 415.497 4.452 50 0 HIAAHN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000014796334 558673098 /nfs/dbraw/zinc/67/30/98/558673098.db2.gz IOTKQDLLSYGNHJ-UHFFFAOYSA-N 0 3 422.960 4.288 50 0 HIAAHN COc1cc(CCC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc(OC)c1 ZINC000027574496 558675178 /nfs/dbraw/zinc/67/51/78/558675178.db2.gz ZZGBAMKBJQFFLL-OAQYLSRUSA-N 0 3 416.587 4.287 50 0 HIAAHN COc1cccc(C(=O)NC[C@@H]2CCCN(C/C(C)=C/c3ccccc3)C2)c1OC ZINC000014977632 558689720 /nfs/dbraw/zinc/68/97/20/558689720.db2.gz FKLZDSCGQSNOKH-DQYQWZCESA-N 0 3 408.542 4.249 50 0 HIAAHN Cc1nnsc1C(=O)N1CCC[C@@H]2CN(Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000014993604 558695290 /nfs/dbraw/zinc/69/52/90/558695290.db2.gz MSUYNKRDNLFTNS-AEFFLSMTSA-N 0 3 412.584 4.188 50 0 HIAAHN COC(=O)c1sc2nc(C[N@H+](C)CC(C)C)ccc2c1[N-]C(=O)c1ccco1 ZINC000014998042 558696578 /nfs/dbraw/zinc/69/65/78/558696578.db2.gz BIGHPWNDTCIOFX-UHFFFAOYSA-N 0 3 401.488 4.016 50 0 HIAAHN COC(=O)c1sc2nc(C[N@@H+](C)CC(C)C)ccc2c1[N-]C(=O)c1ccco1 ZINC000014998042 558696579 /nfs/dbraw/zinc/69/65/79/558696579.db2.gz BIGHPWNDTCIOFX-UHFFFAOYSA-N 0 3 401.488 4.016 50 0 HIAAHN Cc1n[nH]c(C)c1CCNCc1cc2ccc(F)cc2n(CCc2ccccc2)c1=O ZINC000015066719 558709708 /nfs/dbraw/zinc/70/97/08/558709708.db2.gz WTMSYFOEGDHIPT-UHFFFAOYSA-N 0 3 418.516 4.056 50 0 HIAAHN Cc1cccc(OCC(=O)N(C[C@@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000072304627 558757272 /nfs/dbraw/zinc/75/72/72/558757272.db2.gz YFNNSMIYHZKLCP-HXUWFJFHSA-N 0 3 420.475 4.287 50 0 HIAAHN COc1ccc(NC(=O)[C@H](C)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1Cl ZINC000011094054 558759800 /nfs/dbraw/zinc/75/98/00/558759800.db2.gz PFMVTGZMBUMYRX-LHSJRXKWSA-N 0 3 418.921 4.434 50 0 HIAAHN COc1cccc(CN2CCC[C@@]3(CCN(Cc4cccc(C(C)=O)c4)C3)C2)c1OC ZINC000055099908 558872321 /nfs/dbraw/zinc/87/23/21/558872321.db2.gz CLJRQVBTJWFKTC-AREMUKBSSA-N 0 3 422.569 4.395 50 0 HIAAHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000058292139 558916888 /nfs/dbraw/zinc/91/68/88/558916888.db2.gz HMAUDJBMDXAXTR-JTHBVZDNSA-N 0 3 413.537 4.067 50 0 HIAAHN COc1ccc([C@H](C)NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1F ZINC000058434992 558927182 /nfs/dbraw/zinc/92/71/82/558927182.db2.gz PLDMDBHJGXCTHW-YCRPNKLZSA-N 0 3 424.438 4.466 50 0 HIAAHN Cc1cccc(CN2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n1 ZINC000019606882 558946644 /nfs/dbraw/zinc/94/66/44/558946644.db2.gz BMQMRVBRFHXKMC-QFIPXVFZSA-N 0 3 418.507 4.195 50 0 HIAAHN CN(CCCNC(=O)c1sc2ncccc2c1-n1cccc1)Cc1ccccc1 ZINC000033059846 558954048 /nfs/dbraw/zinc/95/40/48/558954048.db2.gz ATGFDLKLJXQTGG-UHFFFAOYSA-N 0 3 404.539 4.339 50 0 HIAAHN CCn1ncc(CN2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)c1C ZINC000072408762 558977441 /nfs/dbraw/zinc/97/74/41/558977441.db2.gz LWNOAYCOTSGDIR-UHFFFAOYSA-N 0 3 407.484 4.260 50 0 HIAAHN CC(C)Nc1ncc(CN2CC[C@@H](c3ccnc(-c4ccc5c(c4)OCO5)c3)C2)cn1 ZINC000065463325 558977946 /nfs/dbraw/zinc/97/79/46/558977946.db2.gz FMMCAVCXCCTFFK-HXUWFJFHSA-N 0 3 417.513 4.077 50 0 HIAAHN Cc1c(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2Cc2ccccc2)[nH]c2c1C(=O)CCC2 ZINC000065576167 558979586 /nfs/dbraw/zinc/97/95/86/558979586.db2.gz PNZHAWYWOLWYAC-LEWJYISDSA-N 0 3 405.542 4.111 50 0 HIAAHN COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCC[C@@H](CO)C2)cc1OC ZINC000072463792 558983366 /nfs/dbraw/zinc/98/33/66/558983366.db2.gz CYQIDQYKDHZTMC-GOSISDBHSA-N 0 3 406.526 4.432 50 0 HIAAHN COc1cccc(-c2nc3cc(OC)c(OC)cc3cc2CN2CCCOCC2)c1 ZINC000072480173 558983991 /nfs/dbraw/zinc/98/39/91/558983991.db2.gz ZQCBDDWKERLLLT-UHFFFAOYSA-N 0 3 408.498 4.150 50 0 HIAAHN Cc1ccc(-c2noc(CN(C)C(=O)C3CCN(Cc4cccc(C)c4)CC3)n2)cc1 ZINC000067613338 558989149 /nfs/dbraw/zinc/98/91/49/558989149.db2.gz AEZLNPKOXPXMOT-UHFFFAOYSA-N 0 3 418.541 4.224 50 0 HIAAHN Cc1cc(CN(C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)on1 ZINC000095502635 559082588 /nfs/dbraw/zinc/08/25/88/559082588.db2.gz HBHAXFXWADODLQ-OAQYLSRUSA-N 0 3 401.526 4.015 50 0 HIAAHN COc1ccc(NC(=O)CC[C@H]2CCCN(CCc3ccccn3)C2)cc1Cl ZINC000095527802 559086207 /nfs/dbraw/zinc/08/62/07/559086207.db2.gz SYPFMRMEMWROQT-QGZVFWFLSA-N 0 3 401.938 4.417 50 0 HIAAHN CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc(F)c1 ZINC000011614684 559114568 /nfs/dbraw/zinc/11/45/68/559114568.db2.gz SSJPLKLEIAIENB-LJQANCHMSA-N 0 3 414.864 4.082 50 0 HIAAHN CCOc1cc(CNCCCOc2ccccn2)cc(Br)c1OCC ZINC000113397453 559180269 /nfs/dbraw/zinc/18/02/69/559180269.db2.gz FPORFSLPIHQKTI-UHFFFAOYSA-N 0 3 409.324 4.200 50 0 HIAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000004900274 559199276 /nfs/dbraw/zinc/19/92/76/559199276.db2.gz LMBOWJVWXGSASV-NRFANRHFSA-N 0 3 419.525 4.202 50 0 HIAAHN CC(C)(CNC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1)N1CCCCC1 ZINC000004959116 559216927 /nfs/dbraw/zinc/21/69/27/559216927.db2.gz SZOODJDITAJYTE-UHFFFAOYSA-N 0 3 404.510 4.454 50 0 HIAAHN CCN1CCC[C@@H]1CNC(=O)CSCc1nc(-c2ccc(SC)cc2)oc1C ZINC000005057549 559237945 /nfs/dbraw/zinc/23/79/45/559237945.db2.gz IYMNYAHVBPYLNV-QGZVFWFLSA-N 0 3 419.616 4.206 50 0 HIAAHN CC(C)N(CCCNC(=O)Cn1cccc1C(=O)c1ccccc1)Cc1ccccc1 ZINC000005142580 559251902 /nfs/dbraw/zinc/25/19/02/559251902.db2.gz GLNFSLOSMISYOZ-UHFFFAOYSA-N 0 3 417.553 4.136 50 0 HIAAHN COc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@@H]43)CC2)c1 ZINC000061911960 560562565 /nfs/dbraw/zinc/56/25/65/560562565.db2.gz HWHLLITUISOPCT-HLMLHLEXSA-N 0 3 424.585 4.276 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(F)c3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000018144574 560779839 /nfs/dbraw/zinc/77/98/39/560779839.db2.gz PFUFINGZQLOXFT-QHAWAJNXSA-N 0 3 406.388 4.016 50 0 HIAAHN CCN1CCN(CCCN(Cc2cccs2)C(=S)Nc2ccccc2C)CC1 ZINC000101213920 560790038 /nfs/dbraw/zinc/79/00/38/560790038.db2.gz SKXPVIHZDKVFFT-UHFFFAOYSA-N 0 3 416.660 4.283 50 0 HIAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000102663101 560819426 /nfs/dbraw/zinc/81/94/26/560819426.db2.gz YDFNFNCLYUEFQC-YTFSRNRJSA-N 0 3 416.452 4.439 50 0 HIAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C1=O ZINC000102724379 560821707 /nfs/dbraw/zinc/82/17/07/560821707.db2.gz PDRWURHQLPIHQI-QHAWAJNXSA-N 0 3 420.490 4.198 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102736950 560824534 /nfs/dbraw/zinc/82/45/34/560824534.db2.gz RHXGJHVZAGXKTP-GBESFXJTSA-N 0 3 410.882 4.453 50 0 HIAAHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000108096265 560897921 /nfs/dbraw/zinc/89/79/21/560897921.db2.gz XVCGPRDEXSZEKB-OXJNMPFZSA-N 0 3 406.448 4.111 50 0 HIAAHN OCCOCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000010435711 568416351 /nfs/dbraw/zinc/41/63/51/568416351.db2.gz HRMFBRNWABHLLV-UHFFFAOYSA-N 0 3 404.721 4.324 50 0 HIAAHN CCCc1nn2c(nc(CN(Cc3ccc(Cl)cc3)CC(C)C)cc2=O)s1 ZINC000046032264 568424695 /nfs/dbraw/zinc/42/46/95/568424695.db2.gz XOQVIVBLMAGOGV-UHFFFAOYSA-N 0 3 404.967 4.415 50 0 HIAAHN COc1ccc(OC)c(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)c1 ZINC000046056738 568426094 /nfs/dbraw/zinc/42/60/94/568426094.db2.gz AQYUEAIWVHMMQR-LJQANCHMSA-N 0 3 419.481 4.123 50 0 HIAAHN Cc1cc(Cl)ccc1OC[C@H](O)CN1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000000626973 568455983 /nfs/dbraw/zinc/45/59/83/568455983.db2.gz BEFRDBPWQPNWGZ-LJQANCHMSA-N 0 3 410.341 4.025 50 0 HIAAHN COc1c(Br)cc(Br)cc1CNC[C@H](O)c1ccccc1 ZINC000022074808 568473936 /nfs/dbraw/zinc/47/39/36/568473936.db2.gz ZHZITHYDQFFLFH-HNNXBMFYSA-N 0 3 415.125 4.043 50 0 HIAAHN Cc1ccc(OCC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000057256221 568490134 /nfs/dbraw/zinc/49/01/34/568490134.db2.gz OLTUZUCYQCCKEX-UHFFFAOYSA-N 0 3 415.537 4.335 50 0 HIAAHN CCN1CCC2(CC1)N=C(c1ccc(F)cc1)C(=S)N2C(=O)c1ccc(F)cc1 ZINC000020436112 568607178 /nfs/dbraw/zinc/60/71/78/568607178.db2.gz QSTPBMRKWGELKY-UHFFFAOYSA-N 0 3 413.493 4.049 50 0 HIAAHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000095467069 568624683 /nfs/dbraw/zinc/62/46/83/568624683.db2.gz BIDAMNRREQSATP-AWEZNQCLSA-N 0 3 418.925 4.379 50 0 HIAAHN COc1cc(CN2CCC(c3cc(C)[nH]n3)CC2)ccc1OCc1c(C)noc1C ZINC000095940886 568661838 /nfs/dbraw/zinc/66/18/38/568661838.db2.gz QRKDUDBBDFMNKT-UHFFFAOYSA-N 0 3 410.518 4.290 50 0 HIAAHN COc1cc(CN2CCC(c3cc(C)n[nH]3)CC2)ccc1OCc1c(C)noc1C ZINC000095940886 568661840 /nfs/dbraw/zinc/66/18/40/568661840.db2.gz QRKDUDBBDFMNKT-UHFFFAOYSA-N 0 3 410.518 4.290 50 0 HIAAHN CCN(c1ccc(C(=O)NC2CCN(Cc3cccc(OC)c3)CC2)cc1)C(C)C ZINC000095957807 568669548 /nfs/dbraw/zinc/66/95/48/568669548.db2.gz ACZZTPFXAOJOKU-UHFFFAOYSA-N 0 3 409.574 4.324 50 0 HIAAHN COc1ccc(-c2noc([N-]CC[NH+]3CCC(Cc4ccccc4)CC3)n2)cc1OC ZINC000021630644 568724927 /nfs/dbraw/zinc/72/49/27/568724927.db2.gz QJLFPYZYNVNVIQ-UHFFFAOYSA-N 0 3 422.529 4.120 50 0 HIAAHN COc1ccc(-c2noc(NCCN3CCC(Cc4ccccc4)CC3)n2)cc1OC ZINC000021630644 568724929 /nfs/dbraw/zinc/72/49/29/568724929.db2.gz QJLFPYZYNVNVIQ-UHFFFAOYSA-N 0 3 422.529 4.120 50 0 HIAAHN O=C(NCC1CCN(Cc2ccccc2F)CC1)c1cc2ccc3cccnc3c2[nH]1 ZINC000096319765 568728354 /nfs/dbraw/zinc/72/83/54/568728354.db2.gz AICIZXQUXKBAEW-UHFFFAOYSA-N 0 3 416.500 4.497 50 0 HIAAHN COc1ccc(CCNCc2nn(Cc3ccc(F)cc3)nc2-c2ccccc2)cc1 ZINC000247935606 568746098 /nfs/dbraw/zinc/74/60/98/568746098.db2.gz UOBQTHVDCYLZJX-UHFFFAOYSA-N 0 3 416.500 4.473 50 0 HIAAHN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCN(C)CC2)o1 ZINC000000934794 568751626 /nfs/dbraw/zinc/75/16/26/568751626.db2.gz WTYFULIJGJITQY-QGZVFWFLSA-N 0 3 416.319 4.316 50 0 HIAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccco3)=NN12 ZINC000000934790 568751688 /nfs/dbraw/zinc/75/16/88/568751688.db2.gz YQZPUSXTOASAFJ-INIZCTEOSA-N 0 3 402.292 4.008 50 0 HIAAHN Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCCN(C)Cc3ccccc3)c2c1 ZINC000021934405 568762007 /nfs/dbraw/zinc/76/20/07/568762007.db2.gz LNDKKSRXRMOITD-UHFFFAOYSA-N 0 3 410.521 4.467 50 0 HIAAHN CCN(CC)CCNCc1nn(Cc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000261492215 568820355 /nfs/dbraw/zinc/82/03/55/568820355.db2.gz VWRSOFJGQBLFQH-UHFFFAOYSA-N 0 3 415.944 4.217 50 0 HIAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(OCc2ccncc2)cc1 ZINC000029754998 568828930 /nfs/dbraw/zinc/82/89/30/568828930.db2.gz IHJRUDHZHCWJSL-OAQYLSRUSA-N 0 3 407.539 4.289 50 0 HIAAHN O=C(NCc1ccccc1CN1CCCCC1)c1cccc(Nc2ncccn2)c1 ZINC000012538284 568846505 /nfs/dbraw/zinc/84/65/05/568846505.db2.gz JKAHGWMREVVBOM-UHFFFAOYSA-N 0 3 401.514 4.136 50 0 HIAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1 ZINC000003049143 568849834 /nfs/dbraw/zinc/84/98/34/568849834.db2.gz RNGNAUSXKRUDAO-LJQANCHMSA-N 0 3 411.571 4.319 50 0 HIAAHN CC1CCN([C@H](CNC(=O)CCc2cnn(-c3ccccc3)c2)c2cccs2)CC1 ZINC000012737889 568925334 /nfs/dbraw/zinc/92/53/34/568925334.db2.gz NZNDYWZDKGDCGQ-JOCHJYFZSA-N 0 3 422.598 4.456 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000004110921 568943903 /nfs/dbraw/zinc/94/39/03/568943903.db2.gz RVEWCUFWWOMOPX-GUDVDZBRSA-N 0 3 410.882 4.453 50 0 HIAAHN O=C(COc1ccc(Cl)c(Cl)c1)NC1CCN(CCc2ccccc2)CC1 ZINC000084528900 568950322 /nfs/dbraw/zinc/95/03/22/568950322.db2.gz KZWDQJALFSXOKB-UHFFFAOYSA-N 0 3 407.341 4.196 50 0 HIAAHN CCOC(=O)c1ccc(NC(=S)N(CCN2CCCCC2)Cc2ccco2)cc1 ZINC000004193135 568950552 /nfs/dbraw/zinc/95/05/52/568950552.db2.gz GFMPGTCADSXCAL-UHFFFAOYSA-N 0 3 415.559 4.141 50 0 HIAAHN CCOC(=O)c1c(C)oc2nc(C)nc(NC3CCN(Cc4ccccc4)CC3)c21 ZINC000015727417 568978315 /nfs/dbraw/zinc/97/83/15/568978315.db2.gz JTFNUWGHVQARBS-UHFFFAOYSA-N 0 3 408.502 4.093 50 0 HIAAHN CCOc1c(Cl)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1OC ZINC000012821267 569004744 /nfs/dbraw/zinc/00/47/44/569004744.db2.gz NMHULFDRUFCIFL-UHFFFAOYSA-N 0 3 402.922 4.142 50 0 HIAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C1=O ZINC000136042697 569053661 /nfs/dbraw/zinc/05/36/61/569053661.db2.gz FVYSIYMSOZLWHG-FDFHNCONSA-N 0 3 402.425 4.185 50 0 HIAAHN CC(C)N(Cc1ccc(NC(=O)NCC(C)(C)C[C@@H](C)O)cc1)C[C@H]1CCCCO1 ZINC000241837543 569054860 /nfs/dbraw/zinc/05/48/60/569054860.db2.gz SKYWECYRVLCIIV-DENIHFKCSA-N 0 3 419.610 4.385 50 0 HIAAHN CC[C@H](C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@H]12 ZINC000035871493 569064093 /nfs/dbraw/zinc/06/40/93/569064093.db2.gz MXXYEPYUERUDMJ-PAXLWEDBSA-N 0 3 423.523 4.226 50 0 HIAAHN CC[C@@H](C)N(Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036095823 569090042 /nfs/dbraw/zinc/09/00/42/569090042.db2.gz INDFLJYLRAFLOD-APWZRJJASA-N 0 3 407.938 4.398 50 0 HIAAHN COc1ccc(CN(Cc2ccc(F)cc2)C[C@H](O)Cc2ccccc2)cc1OC ZINC000036096007 569090054 /nfs/dbraw/zinc/09/00/54/569090054.db2.gz RLNAVOMFYCYAKV-HSZRJFAPSA-N 0 3 409.501 4.449 50 0 HIAAHN COc1cccc(CN(CCC(C)C)C[C@@H](O)COCc2ccccc2)c1OC ZINC000036097277 569090246 /nfs/dbraw/zinc/09/02/46/569090246.db2.gz AWDYQYSRDZHKHL-JOCHJYFZSA-N 0 3 401.547 4.130 50 0 HIAAHN CC(C)CC(=O)N(CCN1CCCC1)Cc1csc(COc2ccccc2)n1 ZINC000036114389 569093968 /nfs/dbraw/zinc/09/39/68/569093968.db2.gz ZVPIBPVEAFUAJO-UHFFFAOYSA-N 0 3 401.576 4.193 50 0 HIAAHN CC(C)C(=O)N(CCN(C)C)Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C ZINC000036312836 569133118 /nfs/dbraw/zinc/13/31/18/569133118.db2.gz UPXSXHDTKXGABJ-LJQANCHMSA-N 0 3 412.578 4.267 50 0 HIAAHN COc1ccc(Cc2nc3ccc(C(=O)NCCN4CCCCCC4)cc3o2)cc1 ZINC000064968451 569138048 /nfs/dbraw/zinc/13/80/48/569138048.db2.gz ZMLQIIPOKQUMAC-UHFFFAOYSA-N 0 3 407.514 4.033 50 0 HIAAHN CC[C@H](C)N(CCNC(=O)c1nn(C)c2c1CSc1ccccc1-2)Cc1ccco1 ZINC000006817723 569138695 /nfs/dbraw/zinc/13/86/95/569138695.db2.gz AJDYIALKZCPRRB-INIZCTEOSA-N 0 3 424.570 4.316 50 0 HIAAHN O=C(NCCN1CCCCC1)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025548 569156318 /nfs/dbraw/zinc/15/63/18/569156318.db2.gz WKFPMYYBUDPHSK-UHFFFAOYSA-N 0 3 407.562 4.104 50 0 HIAAHN CCCCN(CC)CCNC(=O)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1 ZINC000006895575 569175375 /nfs/dbraw/zinc/17/53/75/569175375.db2.gz XSMBXBMIXDGQBO-HHHXNRCGSA-N 0 3 410.967 4.093 50 0 HIAAHN CCCn1c(-c2cccc(C(=O)NCCN3CCCCCC3)c2)nc2cccnc21 ZINC000065172871 569189980 /nfs/dbraw/zinc/18/99/80/569189980.db2.gz LEIDBPSRJUICIQ-UHFFFAOYSA-N 0 3 405.546 4.114 50 0 HIAAHN O=C(COc1ccc(Cl)cc1Cl)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 ZINC000036610982 569208814 /nfs/dbraw/zinc/20/88/14/569208814.db2.gz KOLTUJVOJRVSCR-UHFFFAOYSA-N 0 3 423.384 4.341 50 0 HIAAHN CCN(CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(C)cc1 ZINC000007263620 569230781 /nfs/dbraw/zinc/23/07/81/569230781.db2.gz FLZOJMCUJPJFAY-OAQYLSRUSA-N 0 3 408.473 4.128 50 0 HIAAHN CCN(CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(C)cc1 ZINC000007263657 569230832 /nfs/dbraw/zinc/23/08/32/569230832.db2.gz FLZOJMCUJPJFAY-NRFANRHFSA-N 0 3 408.473 4.128 50 0 HIAAHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)COc1ccc(C)cc1C ZINC000089614253 569261218 /nfs/dbraw/zinc/26/12/18/569261218.db2.gz JXTFXJWWCNBFAI-JOCHJYFZSA-N 0 3 418.541 4.273 50 0 HIAAHN COC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000252536374 569292845 /nfs/dbraw/zinc/29/28/45/569292845.db2.gz IHRBAUWKEGMRHW-UTKZUKDTSA-N 0 3 420.475 4.487 50 0 HIAAHN COC(=O)c1sc2nc(C)nc(NC[C@@H](c3ccco3)N3CCCCC3)c2c1C ZINC000007814915 569312657 /nfs/dbraw/zinc/31/26/57/569312657.db2.gz QMOCSTKBCUVOKS-HNNXBMFYSA-N 0 3 414.531 4.327 50 0 HIAAHN O=C(CCN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)N1CCc2ccccc2C1 ZINC000253427891 569368492 /nfs/dbraw/zinc/36/84/92/569368492.db2.gz HCYNKYSRQPYSND-OAQYLSRUSA-N 0 3 408.933 4.328 50 0 HIAAHN CCCCCCOc1ccc(N2C(=O)C[C@H](NCCc3ccc(OC)cc3)C2=O)cc1 ZINC000019804904 569430459 /nfs/dbraw/zinc/43/04/59/569430459.db2.gz WTZUJLFJNJUKSX-QHCPKHFHSA-N 0 3 424.541 4.119 50 0 HIAAHN CCN(CC)[C@@H](CNC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccsc1 ZINC000040103939 571164740 /nfs/dbraw/zinc/16/47/40/571164740.db2.gz BJDXKSZCRCPMIT-IBGZPJMESA-N 0 3 400.548 4.080 50 0 HIAAHN O=C(Nc1cccc(OCCn2cccn2)c1)c1ccc(CN2CCCCC2)cc1 ZINC000040134873 571187996 /nfs/dbraw/zinc/18/79/96/571187996.db2.gz WIZCBEJAVWKRPU-UHFFFAOYSA-N 0 3 404.514 4.200 50 0 HIAAHN COc1cccc(N2CCN(C3CCN(Cc4cc5ccccc5o4)CC3)CC2)c1 ZINC000244933203 571210462 /nfs/dbraw/zinc/21/04/62/571210462.db2.gz CHDNJZIQNCELLU-UHFFFAOYSA-N 0 3 405.542 4.228 50 0 HIAAHN COC(=O)c1ccc(CN2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000011816747 845836349 /nfs/dbraw/zinc/83/63/49/845836349.db2.gz HVFNVJZZGNNYGW-UHFFFAOYSA-N 0 3 421.459 4.309 50 0 HIAAHN CCc1ccc(CN2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)o1 ZINC000011843863 845837798 /nfs/dbraw/zinc/83/77/98/845837798.db2.gz GWMHITXUWTZADL-HSZRJFAPSA-N 0 3 423.601 4.179 50 0 HIAAHN COc1ccccc1CN1C[C@@H]2C[C@@H](c3cc4ccccc4o3)N3CCC[C@@]23C1=O ZINC000012027136 845848632 /nfs/dbraw/zinc/84/86/32/845848632.db2.gz QYTRBHPJDRZGRD-RLSLOFABSA-N 0 3 402.494 4.379 50 0 HIAAHN c1cn2c(n1)[C@H](C1CCN(Cc3cccnc3)CC1)N(CCc1ccccc1)CCC2 ZINC000257193360 854235107 /nfs/dbraw/zinc/23/51/07/854235107.db2.gz YDKNAJPPOXWEEM-VWLOTQADSA-N 0 3 415.585 4.180 50 0 HIAAHN O=C(COc1ccccc1)Nc1ccc(N2CCC(NCc3ccco3)CC2)cc1 ZINC000012243737 132357723 /nfs/dbraw/zinc/35/77/23/132357723.db2.gz MMRCAZIBOAMOAK-UHFFFAOYSA-N 0 3 405.498 4.056 50 0 HIAAHN CC(C)Oc1c(Br)cc(CNC[C@H]2CCCO2)cc1Br ZINC000040730493 519777479 /nfs/dbraw/zinc/77/74/79/519777479.db2.gz PQEWPKZPVOBXBG-GFCCVEGCSA-N 0 3 407.146 4.267 50 0 HIAAHN CCOc1cc(CNCCN(C)C)cc(Br)c1OCc1cccc(C)c1 ZINC000040720439 520713751 /nfs/dbraw/zinc/71/37/51/520713751.db2.gz NVGJXUZDJWZLDB-UHFFFAOYSA-N 0 3 421.379 4.386 50 0 HIAAHN CCOc1cc(CNC[C@@H](C)O)cc(Br)c1OCc1ccccc1C ZINC000040744049 520720267 /nfs/dbraw/zinc/72/02/67/520720267.db2.gz WHLRZTGENZGHGZ-OAHLLOKOSA-N 0 3 408.336 4.206 50 0 HIAAHN CCN(CC)[C@H](CNC(=O)c1ccc(Cl)cc1N1CCCC1=O)c1ccsc1 ZINC000031984407 520867016 /nfs/dbraw/zinc/86/70/16/520867016.db2.gz XHGUWKCKYLFESD-LJQANCHMSA-N 0 3 419.978 4.341 50 0 HIAAHN CCN1CCC[C@H]1CNCc1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040720692 521658166 /nfs/dbraw/zinc/65/81/66/521658166.db2.gz CWQRKZGZASEJAH-NRFANRHFSA-N 0 3 415.965 4.240 50 0 HIAAHN CN(C)CCNCc1cc(Br)ccc1OCc1c(F)cccc1Cl ZINC000040720408 521790085 /nfs/dbraw/zinc/79/00/85/521790085.db2.gz PISRYEREAFBMML-UHFFFAOYSA-N 0 3 415.734 4.472 50 0 HIAAHN COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)cc3)N3CCCC3)no2)cc1 ZINC000032593964 523097697 /nfs/dbraw/zinc/09/76/97/523097697.db2.gz SOSCYUIVQUJNHF-JOCHJYFZSA-N 0 3 405.498 4.226 50 0 HIAAHN COc1ccc([C@@H](CNC(=O)c2cnn(-c3ccccc3C)c2C2CC2)N(C)C)cc1 ZINC000032203906 525186974 /nfs/dbraw/zinc/18/69/74/525186974.db2.gz XUSUFJVFCHKNQL-HSZRJFAPSA-N 0 3 418.541 4.099 50 0 HIAAHN Clc1cccc(Cl)c1COc1ccccc1CNCCCN1CCOCC1 ZINC000040719879 526978651 /nfs/dbraw/zinc/97/86/51/526978651.db2.gz JICXRMUHWVFHQI-UHFFFAOYSA-N 0 3 409.357 4.384 50 0 HIAAHN OCCNCc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040739748 527555332 /nfs/dbraw/zinc/55/53/32/527555332.db2.gz MOGLLZFNUWKUJB-UHFFFAOYSA-N 0 3 405.119 4.417 50 0 HIAAHN O[C@@H](COCc1ccc2c(c1)OCO2)CN1CCc2sccc2[C@@H]1c1ccccc1 ZINC000032843156 527658345 /nfs/dbraw/zinc/65/83/45/527658345.db2.gz BQWNDSDANVLCTC-DVECYGJZSA-N 0 3 423.534 4.002 50 0 HIAAHN Fc1ccc(CN2CCC3(C[C@@H]3c3nnc4n3CCCCC4)CC2)c2ncccc12 ZINC000071890598 557317927 /nfs/dbraw/zinc/31/79/27/557317927.db2.gz UISIRGRGLNSNDE-LJQANCHMSA-N 0 3 405.521 4.462 50 0 HIAAHN O=C(Nc1ccc(N2CCCN(Cc3ccccc3)CC2)nc1)c1ccc(F)cc1F ZINC000034681907 557383938 /nfs/dbraw/zinc/38/39/38/557383938.db2.gz FDESIWWUAGSCCV-UHFFFAOYSA-N 0 3 422.479 4.324 50 0 HIAAHN CN1CCC(NC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc32)CC1 ZINC000002867596 557412978 /nfs/dbraw/zinc/41/29/78/557412978.db2.gz CEQMJJYZMKMQLX-UHFFFAOYSA-N 0 3 424.342 4.488 50 0 HIAAHN COc1cc(CN2CCC[C@@H](C(=O)N3CCCCC3)C2)ccc1OCc1ccccc1 ZINC000004745273 557591606 /nfs/dbraw/zinc/59/16/06/557591606.db2.gz VCXVLGREISECBB-HSZRJFAPSA-N 0 3 422.569 4.499 50 0 HIAAHN Cc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)o1 ZINC000002704776 557743438 /nfs/dbraw/zinc/74/34/38/557743438.db2.gz DGZPTRRDZBCQKW-MRXNPFEDSA-N 0 3 407.451 4.419 50 0 HIAAHN CN(C(=O)c1ccccc1-n1cccn1)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000011661415 558265379 /nfs/dbraw/zinc/26/53/79/558265379.db2.gz ONMKUISXPNHYGQ-QFIPXVFZSA-N 0 3 402.542 4.042 50 0 HIAAHN O=C(NC[C@@H]1CCC2(CCN(Cc3ccc(Cl)cc3)CC2)O1)c1cccc(F)c1 ZINC000011788225 558276727 /nfs/dbraw/zinc/27/67/27/558276727.db2.gz UTPVINSVUHNUEY-NRFANRHFSA-N 0 3 416.924 4.423 50 0 HIAAHN CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)CN1CCCc1ccccc1 ZINC000011789370 558277235 /nfs/dbraw/zinc/27/72/35/558277235.db2.gz GEIHTWDWWPEAEA-UGKGYDQZSA-N 0 3 422.598 4.255 50 0 HIAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCC(F)(F)F ZINC000011817711 558281024 /nfs/dbraw/zinc/28/10/24/558281024.db2.gz AHSOYHPVSVFVCM-SFHVURJKSA-N 0 3 400.485 4.141 50 0 HIAAHN O=C1CC[C@@H](CCNCc2ccccc2F)N1Cc1ccccc1OC(F)(F)F ZINC000011910614 558296685 /nfs/dbraw/zinc/29/66/85/558296685.db2.gz KSGKNGXGRCETKH-KRWDZBQOSA-N 0 3 410.411 4.395 50 0 HIAAHN Fc1ccccc1COc1ccc2ccccc2c1CNCCCN1CCOCC1 ZINC000019871700 558299746 /nfs/dbraw/zinc/29/97/46/558299746.db2.gz HGOMOZRSFODBBA-UHFFFAOYSA-N 0 3 408.517 4.370 50 0 HIAAHN O=C(CCN1CCN(Cc2cccc3ccccc32)CC1)Nc1ccc2c(c1)CCC2 ZINC000019900050 558304701 /nfs/dbraw/zinc/30/47/01/558304701.db2.gz AEOYHWGMVVXPSS-UHFFFAOYSA-N 0 3 413.565 4.475 50 0 HIAAHN Cc1[nH]c2ccccc2c1[C@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000019940119 558314012 /nfs/dbraw/zinc/31/40/12/558314012.db2.gz RWRFCOMBTMHJRV-HXUWFJFHSA-N 0 3 403.448 4.351 50 0 HIAAHN O=C(c1ccc(Cl)cc1OC1CCN([C@H]2CCSC2)CC1)N1CCCCC1 ZINC000012073858 558318702 /nfs/dbraw/zinc/31/87/02/558318702.db2.gz KUGSQGTWFOSETQ-KRWDZBQOSA-N 0 3 408.995 4.315 50 0 HIAAHN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3ccc(C)s3)C2)c(OC)c1 ZINC000012075822 558319654 /nfs/dbraw/zinc/31/96/54/558319654.db2.gz SOJOPWMDDILMFU-GOSISDBHSA-N 0 3 416.587 4.382 50 0 HIAAHN Cc1ccc2c(c1)c1c(n2C[C@@H](O)CN2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000020059510 558329090 /nfs/dbraw/zinc/32/90/90/558329090.db2.gz JIWLKQFUADLPCW-QHCPKHFHSA-N 0 3 417.597 4.007 50 0 HIAAHN CCN(Cc1nc2ccccc2n1C)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000020211460 558347510 /nfs/dbraw/zinc/34/75/10/558347510.db2.gz XENOWXUDZOEDRO-NRFANRHFSA-N 0 3 408.565 4.489 50 0 HIAAHN COc1cccc(CN2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)c1 ZINC000020211789 558347901 /nfs/dbraw/zinc/34/79/01/558347901.db2.gz PIOYIDIPPJVFGP-FQEVSTJZSA-N 0 3 408.571 4.496 50 0 HIAAHN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3cccc(SC)c3)C2)CC1 ZINC000020453740 558367797 /nfs/dbraw/zinc/36/77/97/558367797.db2.gz CVCYPUKNJZMMPV-OAQYLSRUSA-N 0 3 411.615 4.204 50 0 HIAAHN COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NCc2cccc(OCCO)c2)cc1 ZINC000012314419 558377753 /nfs/dbraw/zinc/37/77/53/558377753.db2.gz GDCHLBZCALNXJG-HSZRJFAPSA-N 0 3 421.541 4.055 50 0 HIAAHN Clc1ccc(-n2cccc2CN[C@H]2CCCc3c2cnn3-c2ccccn2)nc1 ZINC000012318882 558381807 /nfs/dbraw/zinc/38/18/07/558381807.db2.gz HGMOLFDSNSGELY-IBGZPJMESA-N 0 3 404.905 4.274 50 0 HIAAHN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3cccc(F)c3)C2)c(OC)c1 ZINC000012386992 558395940 /nfs/dbraw/zinc/39/59/40/558395940.db2.gz VQUQISCMPDPTLF-GOSISDBHSA-N 0 3 414.521 4.152 50 0 HIAAHN CCOC(=O)C1(Cc2cccc(OC)c2)CCN([C@@H](C)Cc2cc(C)ccn2)CC1 ZINC000012440345 558411438 /nfs/dbraw/zinc/41/14/38/558411438.db2.gz WXLWHVGSVLGJNR-FQEVSTJZSA-N 0 3 410.558 4.218 50 0 HIAAHN CC1(C)C[C@@]1(CNCc1c(C(=O)N2CCCC2)nc2sccn12)c1ccccc1 ZINC000020906496 558421177 /nfs/dbraw/zinc/42/11/77/558421177.db2.gz YMDBHMFDEBQMQM-HSZRJFAPSA-N 0 3 408.571 4.089 50 0 HIAAHN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3cc(C)c(C)o3)C2)c(OC)c1 ZINC000012577651 558431532 /nfs/dbraw/zinc/43/15/32/558431532.db2.gz GELCWNDADJTUIZ-IBGZPJMESA-N 0 3 414.546 4.222 50 0 HIAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000021793709 558449168 /nfs/dbraw/zinc/44/91/68/558449168.db2.gz RHPINQXYWMZSIC-UHFFFAOYSA-N 0 3 421.589 4.035 50 0 HIAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)CSc1ccccc1 ZINC000012706564 558450232 /nfs/dbraw/zinc/45/02/32/558450232.db2.gz AZDAYWWHIOOYKB-UHFFFAOYSA-N 0 3 400.563 4.331 50 0 HIAAHN COc1ccc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3OC)C2)cc1C ZINC000012746323 558458069 /nfs/dbraw/zinc/45/80/69/558458069.db2.gz LBZZCVRIHQEBFL-FQEVSTJZSA-N 0 3 410.558 4.039 50 0 HIAAHN COc1ccc(OCCN(C)Cc2cc(=O)oc3cc(Br)ccc23)cc1 ZINC000012803263 558472544 /nfs/dbraw/zinc/47/25/44/558472544.db2.gz FNTJYWPHQROLSA-UHFFFAOYSA-N 0 3 418.287 4.075 50 0 HIAAHN c1ccc(C(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2)cc1 ZINC000022586698 558499913 /nfs/dbraw/zinc/49/99/13/558499913.db2.gz HXRWRNXFFRZWMV-UHFFFAOYSA-N 0 3 400.522 4.365 50 0 HIAAHN Cn1cc(CN2CCC([C@@H](O)CCc3ccccc3)CC2)c(-c2ccccc2F)n1 ZINC000013594853 558546918 /nfs/dbraw/zinc/54/69/18/558546918.db2.gz MZXIYEJYRZQJPV-DEOSSOPVSA-N 0 3 407.533 4.432 50 0 HIAAHN COc1cc(CNCCCN2CCCC2=O)cc(Cl)c1OCc1ccccc1F ZINC000013727656 558585274 /nfs/dbraw/zinc/58/52/74/558585274.db2.gz MUWYKLADOBSRHJ-UHFFFAOYSA-N 0 3 420.912 4.169 50 0 HIAAHN CN(C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000024445228 558597822 /nfs/dbraw/zinc/59/78/22/558597822.db2.gz NKZQSOFKINNGDI-UHFFFAOYSA-N 0 3 416.493 4.172 50 0 HIAAHN COc1cccc([C@@H](CNC(=O)Cc2c(C)[nH]c3ccc(F)cc32)N2CCCC2)c1 ZINC000024537692 558600608 /nfs/dbraw/zinc/60/06/08/558600608.db2.gz HFBPUZDLKSCIDV-HSZRJFAPSA-N 0 3 409.505 4.120 50 0 HIAAHN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NC[C@@H](c1cccs1)N1CCCC1 ZINC000024989374 558625726 /nfs/dbraw/zinc/62/57/26/558625726.db2.gz BBTLERZNXNYITM-KRWDZBQOSA-N 0 3 420.962 4.059 50 0 HIAAHN O[C@H](CO[C@H]1CCCc2ccccc21)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000014200937 558636588 /nfs/dbraw/zinc/63/65/88/558636588.db2.gz OAKOVNVYZPJBSD-WWNPGLIZSA-N 0 3 409.526 4.050 50 0 HIAAHN CCc1ccc(OCC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCCC2)cc1 ZINC000027582949 558675963 /nfs/dbraw/zinc/67/59/63/558675963.db2.gz WIVYOBVIIMQKOV-XMMPIXPASA-N 0 3 410.558 4.370 50 0 HIAAHN O=C(CC[C@@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2)C1)N1CCOCC1 ZINC000014966940 558686108 /nfs/dbraw/zinc/68/61/08/558686108.db2.gz PEWJVYJISOFRLG-QFIPXVFZSA-N 0 3 422.569 4.117 50 0 HIAAHN COc1cc(C[NH2+][C@@H]2CCCN(c3nc4ccccc4s3)C2)cc(Cl)c1[O-] ZINC000014966715 558686132 /nfs/dbraw/zinc/68/61/32/558686132.db2.gz OCZWIAKCACZUMW-CQSZACIVSA-N 0 3 403.935 4.423 50 0 HIAAHN O=C(CC[C@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2)C1)N1CCOCC1 ZINC000014966944 558686172 /nfs/dbraw/zinc/68/61/72/558686172.db2.gz PEWJVYJISOFRLG-JOCHJYFZSA-N 0 3 422.569 4.117 50 0 HIAAHN COC(=O)c1ccc(-c2nc(CN3CCCC[C@@H]3CCn3cccn3)c(C)o2)cc1 ZINC000014980735 558691120 /nfs/dbraw/zinc/69/11/20/558691120.db2.gz WSQQSOQXVGPWHW-HXUWFJFHSA-N 0 3 408.502 4.078 50 0 HIAAHN Cc1ccc(COc2c(Cl)cc(Cl)cc2CNCCN2CCOCC2)cc1 ZINC000028427661 558700641 /nfs/dbraw/zinc/70/06/41/558700641.db2.gz ROELMDQKLBLUTE-UHFFFAOYSA-N 0 3 409.357 4.303 50 0 HIAAHN C[C@H](Cc1ccccn1)N1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000015065511 558708392 /nfs/dbraw/zinc/70/83/92/558708392.db2.gz VLCWFWDHUCJPKU-HXUWFJFHSA-N 0 3 407.558 4.182 50 0 HIAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CSc1nc(C)nc2ccccc21 ZINC000015080181 558718793 /nfs/dbraw/zinc/71/87/93/558718793.db2.gz WPRFCXGUCIRKHE-SIKLNZKXSA-N 0 3 418.566 4.173 50 0 HIAAHN CCCN1CCN(CCCNc2nc(-c3ccc(OC)cc3)nc3ccccc32)CC1 ZINC000022937864 558726047 /nfs/dbraw/zinc/72/60/47/558726047.db2.gz CGOHCWJXPXFTKV-UHFFFAOYSA-N 0 3 419.573 4.135 50 0 HIAAHN CCN1CCN(CCCNc2nc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC000022937871 558726090 /nfs/dbraw/zinc/72/60/90/558726090.db2.gz UZJZRJZFGLGAHZ-UHFFFAOYSA-N 0 3 409.965 4.390 50 0 HIAAHN CCOc1cc(CN2CCCCC[C@@H]2c2ccc(OC)cc2)ccc1OCC(N)=O ZINC000033087228 558760510 /nfs/dbraw/zinc/76/05/10/558760510.db2.gz TYZVUHCQOHOJPD-OAQYLSRUSA-N 0 3 412.530 4.075 50 0 HIAAHN Cc1ccc(-c2nccc(Nc3cccc(C(=O)NCCN4CCCCC4)c3)n2)cc1 ZINC000033025227 558844971 /nfs/dbraw/zinc/84/49/71/558844971.db2.gz RIEWCWOYCCOWPI-UHFFFAOYSA-N 0 3 415.541 4.411 50 0 HIAAHN O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(Cc2cc(CN3CCCC3)cs2)C1 ZINC000019147245 558846862 /nfs/dbraw/zinc/84/68/62/558846862.db2.gz IRUYZCJNRVABLB-IBGZPJMESA-N 0 3 412.555 4.168 50 0 HIAAHN COCCN(Cc1cccc(F)c1F)CC1CCN(Cc2ccccc2OC)CC1 ZINC000055152889 558874163 /nfs/dbraw/zinc/87/41/63/558874163.db2.gz KGQSDQSZLCQFNS-UHFFFAOYSA-N 0 3 418.528 4.334 50 0 HIAAHN CCCN1CCN(c2ncnc3sc(C(=O)Nc4ccc(C)cc4)c(C)c32)CC1 ZINC000033048432 558885874 /nfs/dbraw/zinc/88/58/74/558885874.db2.gz TURKUIZNHKZLNE-UHFFFAOYSA-N 0 3 409.559 4.092 50 0 HIAAHN CCCN(C(=O)NCc1ccc2c(c1)OCO2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058186142 558910458 /nfs/dbraw/zinc/91/04/58/558910458.db2.gz KBCHONFEMMZWFT-NRFANRHFSA-N 0 3 409.530 4.002 50 0 HIAAHN O=C(CSc1ccc2ccccc2n1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004707609 558913878 /nfs/dbraw/zinc/91/38/78/558913878.db2.gz MRQQVVPHEAWHFJ-UHFFFAOYSA-N 0 3 421.610 4.440 50 0 HIAAHN COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCC[C@H](CO)C2)cc1OC ZINC000072463791 558983388 /nfs/dbraw/zinc/98/33/88/558983388.db2.gz CYQIDQYKDHZTMC-SFHVURJKSA-N 0 3 406.526 4.432 50 0 HIAAHN CCC[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccc(Cl)c(Cl)c1 ZINC000102924717 559153582 /nfs/dbraw/zinc/15/35/82/559153582.db2.gz XOGPKSZIPVZNBU-KZNAEPCWSA-N 0 3 405.281 4.472 50 0 HIAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000011767238 559258774 /nfs/dbraw/zinc/25/87/74/559258774.db2.gz JBQNCVLWGWHZHF-GOSISDBHSA-N 0 3 409.977 4.072 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1F ZINC000135899739 559276461 /nfs/dbraw/zinc/27/64/61/559276461.db2.gz MADIIHWVTPVBSD-PCCBWWKXSA-N 0 3 406.388 4.016 50 0 HIAAHN COc1ccccc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@H]23)CC1 ZINC000061992890 560568815 /nfs/dbraw/zinc/56/88/15/560568815.db2.gz WPMSKGJSKVLMAS-RFRNZTGYSA-N 0 3 424.585 4.276 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)c(C)c1 ZINC000102708460 560820791 /nfs/dbraw/zinc/82/07/91/560820791.db2.gz LKAMQFQKVLEIFI-XPWALMASSA-N 0 3 414.461 4.060 50 0 HIAAHN CCC[C@@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)C2ON1c1ccccc1 ZINC000102723061 560821542 /nfs/dbraw/zinc/82/15/42/560821542.db2.gz PBLBZXKHIMOEEP-KZNAEPCWSA-N 0 3 404.388 4.184 50 0 HIAAHN CCn1c(C)cc(O)c([C@H](c2cccnc2)N2CCC(Cc3ccccc3)CC2)c1=O ZINC000022697446 568415469 /nfs/dbraw/zinc/41/54/69/568415469.db2.gz RWPNGLFOUGEQOZ-VWLOTQADSA-N 0 3 417.553 4.321 50 0 HIAAHN COc1ccc(OC)c(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)c1 ZINC000046056741 568426124 /nfs/dbraw/zinc/42/61/24/568426124.db2.gz AQYUEAIWVHMMQR-IBGZPJMESA-N 0 3 419.481 4.123 50 0 HIAAHN CCOc1ccc(CN[C@@H]2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)C2)cc1 ZINC000049421019 568450411 /nfs/dbraw/zinc/45/04/11/568450411.db2.gz YQBLYEZDDAEWGS-JOCHJYFZSA-N 0 3 416.525 4.101 50 0 HIAAHN CCCCOc1c(Cl)cc(C(=O)N2CCOC23CCN(C)CC3)cc1Cl ZINC000012322732 568471125 /nfs/dbraw/zinc/47/11/25/568471125.db2.gz QKOAJRVENVALLM-UHFFFAOYSA-N 0 3 401.334 4.067 50 0 HIAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(Cl)(Cl)Cl ZINC000055531409 568489066 /nfs/dbraw/zinc/48/90/66/568489066.db2.gz NSRXKTVIHNDMJX-UHFFFAOYSA-N 0 3 412.748 4.318 50 0 HIAAHN c1ccc(Cc2nnc3n2CCN(Cc2ccc4c(c2)Cc2ccccc2-4)CC3)cc1 ZINC000014980371 568580609 /nfs/dbraw/zinc/58/06/09/568580609.db2.gz OMLXQNNMEJWZQS-UHFFFAOYSA-N 0 3 406.533 4.498 50 0 HIAAHN CC(C)N(Cc1ccc(NC(=O)NCC(C)(C)C[C@H](C)O)cc1)C[C@@H]1CCCCO1 ZINC000095460781 568620403 /nfs/dbraw/zinc/62/04/03/568620403.db2.gz SKYWECYRVLCIIV-UGKGYDQZSA-N 0 3 419.610 4.385 50 0 HIAAHN CC1=C(C(=O)Nc2cc(Cl)ccc2C)C2(CCN(Cc3ccccc3)CC2)OC1=O ZINC000020531711 568627374 /nfs/dbraw/zinc/62/73/74/568627374.db2.gz XITIJUOIRWXRPV-UHFFFAOYSA-N 0 3 424.928 4.495 50 0 HIAAHN N=c1n(CCN2CCCC2)c2ccccc2n1CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000858798 568713370 /nfs/dbraw/zinc/71/33/70/568713370.db2.gz UOHZNIMAYVBTQV-UHFFFAOYSA-N 0 3 417.340 4.208 50 0 HIAAHN Cc1ccc(Cn2nc(CNCCCOc3ccccn3)c(-c3ccccc3)n2)cc1 ZINC000261492453 568820351 /nfs/dbraw/zinc/82/03/51/568820351.db2.gz XULRCRJZCNPGOW-UHFFFAOYSA-N 0 3 413.525 4.256 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)NCc3ccc(OC(F)F)cc3)cc2C)CC1 ZINC000057861549 568864223 /nfs/dbraw/zinc/86/42/23/568864223.db2.gz GGCQJZPRIVLPRG-UHFFFAOYSA-N 0 3 418.488 4.060 50 0 HIAAHN COc1ccc([C@H](CNCc2ccc(OCc3ccncc3)c(OC)c2)N(C)C)cc1 ZINC000030545142 568870240 /nfs/dbraw/zinc/87/02/40/568870240.db2.gz ZALHEHZIFIPABH-QHCPKHFHSA-N 0 3 421.541 4.070 50 0 HIAAHN COc1ccc(CN2CCC(NC(=O)C[C@H](c3ccsc3)n3cccc3)CC2)cc1 ZINC000263588328 568883692 /nfs/dbraw/zinc/88/36/92/568883692.db2.gz RXDOJCHBLAFJJT-HSZRJFAPSA-N 0 3 423.582 4.319 50 0 HIAAHN O=C(NC1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1)c1ccccc1F ZINC000052827964 568907924 /nfs/dbraw/zinc/90/79/24/568907924.db2.gz XJRLQTJZEJQBTI-UHFFFAOYSA-N 0 3 410.411 4.161 50 0 HIAAHN Cc1ccc2nc(N(Cc3cccnc3)C(=O)C3COc4ccccc4O3)sc2c1 ZINC000004273160 568957729 /nfs/dbraw/zinc/95/77/29/568957729.db2.gz WYYKGYLFLBDUCM-FQEVSTJZSA-N 0 3 417.490 4.373 50 0 HIAAHN CC(=O)Nc1ccc(OC[C@H](O)CNC(C)(C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000084796792 568959918 /nfs/dbraw/zinc/95/99/18/568959918.db2.gz KDMFTCWVQOPSIK-MRXNPFEDSA-N 0 3 411.329 4.216 50 0 HIAAHN CCOC(=O)c1c2c(sc1NC(=O)c1ccccc1F)C(C)(C)NC(C)(C)C2 ZINC000004275299 568962404 /nfs/dbraw/zinc/96/24/04/568962404.db2.gz LBAOBQIXRPYYPR-UHFFFAOYSA-N 0 3 404.507 4.476 50 0 HIAAHN CCN(Cc1ccc2c(c1)OCO2)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000008188068 568980715 /nfs/dbraw/zinc/98/07/15/568980715.db2.gz IDVCDIOODFOVGB-QHCPKHFHSA-N 0 3 419.521 4.404 50 0 HIAAHN CN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000008373798 568995753 /nfs/dbraw/zinc/99/57/53/568995753.db2.gz SHMVUPNTJPRUSU-LJQANCHMSA-N 0 3 414.864 4.082 50 0 HIAAHN Cc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(CN4CCCCC4)cc3)C2)c1 ZINC000035447463 569037379 /nfs/dbraw/zinc/03/73/79/569037379.db2.gz PZDZDVCXDKALOA-HSZRJFAPSA-N 0 3 419.569 4.472 50 0 HIAAHN O=C(CCc1ncc(-c2ccc(F)cc2)o1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000013003220 569049274 /nfs/dbraw/zinc/04/92/74/569049274.db2.gz CMZJVVGEKGXBPC-NRFANRHFSA-N 0 3 407.489 4.367 50 0 HIAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@]3(C)C2=O)cc1 ZINC000239402693 569054313 /nfs/dbraw/zinc/05/43/13/569054313.db2.gz RAYDPGXMQUXRBR-OTNCWRBYSA-N 0 3 414.461 4.136 50 0 HIAAHN Cc1ccc(-c2nc(CS(=O)(=O)C(C)C(=O)N[C@H]3CCCC[C@H]3C)cs2)cc1 ZINC000239527622 569054496 /nfs/dbraw/zinc/05/44/96/569054496.db2.gz ATLXIDZNSBJQFW-MDZRGWNJSA-N 0 3 420.600 4.117 50 0 HIAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cccnc3)[C@H]2C1=O ZINC000245328194 569056032 /nfs/dbraw/zinc/05/60/32/569056032.db2.gz TXGUTMNUCUJRAZ-NJDAHSKKSA-N 0 3 419.868 4.095 50 0 HIAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1sc2nc(C)cc(C)c2c1N ZINC000248080449 569057573 /nfs/dbraw/zinc/05/75/73/569057573.db2.gz PIVDIKKSTPKCDY-SJLPKXTDSA-N 0 3 406.555 4.252 50 0 HIAAHN COc1ccc2c(c1)c(CN1CCC(C(=O)N[C@H](C)c3ccccc3)CC1)cn2C ZINC000064669659 569078918 /nfs/dbraw/zinc/07/89/18/569078918.db2.gz CXZBDJOOLJZHRL-GOSISDBHSA-N 0 3 405.542 4.276 50 0 HIAAHN Cc1ccc(C)c(CN(Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccccc2)c1 ZINC000036031689 569081132 /nfs/dbraw/zinc/08/11/32/569081132.db2.gz JQKMAGVQKHMHHG-HSZRJFAPSA-N 0 3 419.521 4.474 50 0 HIAAHN COc1cccc(CN(CC(C)C)C[C@@H](O)COc2ccc(Cl)cc2)c1OC ZINC000036097085 569090200 /nfs/dbraw/zinc/09/02/00/569090200.db2.gz DMGAYWFIYWYLHN-LJQANCHMSA-N 0 3 407.938 4.255 50 0 HIAAHN COc1ccc(-c2cc3ccc(OCCN4CCCCC4)cc3oc2=O)cc1OC ZINC000006759890 569113326 /nfs/dbraw/zinc/11/33/26/569113326.db2.gz HBIPYHYHBJHLCM-UHFFFAOYSA-N 0 3 409.482 4.342 50 0 HIAAHN CC[C@@H](C)N(Cc1ccc(OC)c(OC)c1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000169681692 569127784 /nfs/dbraw/zinc/12/77/84/569127784.db2.gz INDFLJYLRAFLOD-VQIMIIECSA-N 0 3 407.938 4.398 50 0 HIAAHN CN(C)CCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccco1 ZINC000036312650 569132864 /nfs/dbraw/zinc/13/28/64/569132864.db2.gz HATBXLOOHMOSBD-UHFFFAOYSA-N 0 3 422.529 4.129 50 0 HIAAHN Cc1ccc2onc(CNC(=O)NCCCN(Cc3ccco3)C3CCCC3)c2c1 ZINC000006866270 569159145 /nfs/dbraw/zinc/15/91/45/569159145.db2.gz UASDOJSAIPFEAA-UHFFFAOYSA-N 0 3 410.518 4.363 50 0 HIAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)C(=O)c1cccn1Cc1ccccc1 ZINC000065084225 569173872 /nfs/dbraw/zinc/17/38/72/569173872.db2.gz YQPGVXOXAZYTMR-UHFFFAOYSA-N 0 3 401.510 4.344 50 0 HIAAHN CCCn1ccc2sc(C)c(C(=O)NC3CCN(Cc4ccccc4)CC3)c2c1=O ZINC000065230168 569200658 /nfs/dbraw/zinc/20/06/58/569200658.db2.gz NMYWYUHKXZIGAS-UHFFFAOYSA-N 0 3 423.582 4.176 50 0 HIAAHN CC[NH+]1CCC2(CC1)N=C(c1cc(Cl)ccc1[O-])C[C@H](c1ccc(OC)cc1)N2 ZINC000065298550 569219391 /nfs/dbraw/zinc/21/93/91/569219391.db2.gz LWJJPQPHSXMDHD-HXUWFJFHSA-N 0 3 413.949 4.390 50 0 HIAAHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1ccccc1OC(F)F ZINC000089977224 569270483 /nfs/dbraw/zinc/27/04/83/569270483.db2.gz NGAKBUJBRNDUCK-IBGZPJMESA-N 0 3 418.484 4.049 50 0 HIAAHN Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)N2CCCCC2)cc1 ZINC000017041134 569272232 /nfs/dbraw/zinc/27/22/32/569272232.db2.gz XTITWAMKPNUDPX-DEOSSOPVSA-N 0 3 403.526 4.189 50 0 HIAAHN Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccccn3)c2=O)N2CCCCC2)cc1 ZINC000017041117 569272274 /nfs/dbraw/zinc/27/22/74/569272274.db2.gz VSSNFSSMJUEYSV-XMMPIXPASA-N 0 3 403.526 4.189 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000238900514 571046571 /nfs/dbraw/zinc/04/65/71/571046571.db2.gz JCPFPKCJPGQIBH-VAMGGRTRSA-N 0 3 408.841 4.293 50 0 HIAAHN O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000040121141 571177236 /nfs/dbraw/zinc/17/72/36/571177236.db2.gz AZBREDONCAPHHH-HXUWFJFHSA-N 0 3 406.461 4.409 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000009459197 571260279 /nfs/dbraw/zinc/26/02/79/571260279.db2.gz ZVNFNZGPNULSLH-WXFUMESZSA-N 0 3 421.456 4.286 50 0 HIAAHN CN(CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)CC12CC3CC(CC(C3)C1)C2 ZINC000010207787 571296538 /nfs/dbraw/zinc/29/65/38/571296538.db2.gz BLPADOOLSHGIEF-UHFFFAOYSA-N 0 3 423.601 4.012 50 0 HIAAHN NC(=O)C1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000012387596 845869250 /nfs/dbraw/zinc/86/92/50/845869250.db2.gz BFRNIDNIZVEICU-UHFFFAOYSA-N 0 3 414.509 4.042 50 0 HIAAHN Cc1cc(CN2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)oc1C ZINC000012431827 845870017 /nfs/dbraw/zinc/87/00/17/845870017.db2.gz VUBQILGVBXLZGK-XMMPIXPASA-N 0 3 423.601 4.233 50 0 HIAAHN O=C(Cc1cccnc1)N1CCC(N2CC3(CCCCC3)[C@@H]2c2ccncc2)CC1 ZINC000169786987 853664565 /nfs/dbraw/zinc/66/45/65/853664565.db2.gz QJCFNHZDJKUFSN-DEOSSOPVSA-N 0 3 404.558 4.018 50 0 HIAAHN Cc1cccc(N2CCN(c3c4ccccc4oc(=O)c3CN3CCCC3)CC2)c1C ZINC000007504106 132324839 /nfs/dbraw/zinc/32/48/39/132324839.db2.gz RRNGWDBPIPZAJE-UHFFFAOYSA-N 0 3 417.553 4.332 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)c3ccccc3C(=O)c3cccs3)cc2)CC1 ZINC000008723508 132332495 /nfs/dbraw/zinc/33/24/95/132332495.db2.gz BTRPCIXTRPEXRJ-UHFFFAOYSA-N 0 3 419.550 4.373 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)CCSc3ccc(F)c(F)c3)cc2)CC1 ZINC000011950824 132352577 /nfs/dbraw/zinc/35/25/77/132352577.db2.gz ZSVXQKOFJMZGQA-UHFFFAOYSA-N 0 3 405.514 4.228 50 0 HIAAHN CC(C)Oc1c(Br)cc(Br)cc1CNC[C@H]1CCCO1 ZINC000040729973 519777540 /nfs/dbraw/zinc/77/75/40/519777540.db2.gz YCNGDGMBNZKAND-CYBMUJFWSA-N 0 3 407.146 4.267 50 0 HIAAHN CC(C)Oc1ccc2ccccc2c1CNCCSc1nnnn1-c1ccccc1 ZINC000040721918 519782127 /nfs/dbraw/zinc/78/21/27/519782127.db2.gz DMQRHVWFWKOHHS-UHFFFAOYSA-N 0 3 419.554 4.485 50 0 HIAAHN CCOc1cc(CNCCCO)cc(Br)c1OCc1ccc(F)cc1 ZINC000040744891 520711453 /nfs/dbraw/zinc/71/14/53/520711453.db2.gz SQRNFQMRUNLZAN-UHFFFAOYSA-N 0 3 412.299 4.038 50 0 HIAAHN CCOc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccccc1C ZINC000040720849 520714441 /nfs/dbraw/zinc/71/44/41/520714441.db2.gz XKXFPYRCPKWFBM-UHFFFAOYSA-N 0 3 418.965 4.048 50 0 HIAAHN Cc1cccc(N2CCN(CCCCNC(=O)CCc3ccc(Cl)cc3)CC2)c1 ZINC000032915296 524555437 /nfs/dbraw/zinc/55/54/37/524555437.db2.gz FRUAIWFIXBBKOD-UHFFFAOYSA-N 0 3 413.993 4.300 50 0 HIAAHN Cc1ccccc1CN1CCCN(C(=O)c2cccc(OCc3cccnc3)c2)CC1 ZINC000044507322 525141150 /nfs/dbraw/zinc/14/11/50/525141150.db2.gz LQGKVPRGZKLKMH-UHFFFAOYSA-N 0 3 415.537 4.317 50 0 HIAAHN COc1ccc([C@@H](CNCc2ccc(OC)c(Br)c2)N2CCCC2)cc1 ZINC000025357956 525186815 /nfs/dbraw/zinc/18/68/15/525186815.db2.gz OJNFZHHASJBBPG-HXUWFJFHSA-N 0 3 419.363 4.393 50 0 HIAAHN C[C@@H](NC[C@@H](O)COc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000032899646 525476410 /nfs/dbraw/zinc/47/64/10/525476410.db2.gz UMGKXKDMRMOBMO-UYAOXDASSA-N 0 3 421.493 4.341 50 0 HIAAHN COc1cccc(-c2nc(CC(=O)NC3CCN(Cc4ccccc4)CC3)cs2)c1 ZINC000032095731 525723303 /nfs/dbraw/zinc/72/33/03/525723303.db2.gz RDMGSGULCRNJGD-UHFFFAOYSA-N 0 3 421.566 4.142 50 0 HIAAHN COc1cccc(CNCCCN2CCCC2=O)c1OCc1c(F)cccc1Cl ZINC000040722483 526013034 /nfs/dbraw/zinc/01/30/34/526013034.db2.gz FLCPOELYQLYSTA-UHFFFAOYSA-N 0 3 420.912 4.169 50 0 HIAAHN Fc1ccc(COc2ccc(Cl)cc2CNCCN2CCOCC2)c(Cl)c1 ZINC000040720893 526343122 /nfs/dbraw/zinc/34/31/22/526343122.db2.gz HFZROWQTJDEETO-UHFFFAOYSA-N 0 3 413.320 4.133 50 0 HIAAHN Fc1ccccc1N1CCN([C@H]2CCCN(Cc3c[nH]nc3-c3ccccc3)C2)CC1 ZINC000020599544 526413245 /nfs/dbraw/zinc/41/32/45/526413245.db2.gz QXFHZAWDESGMHL-QFIPXVFZSA-N 0 3 419.548 4.002 50 0 HIAAHN OCCOCCNCc1c(OCc2c(F)cccc2Cl)ccc2ccccc21 ZINC000040735762 527556227 /nfs/dbraw/zinc/55/62/27/527556227.db2.gz OUHVSLPKDKSOKX-UHFFFAOYSA-N 0 3 403.881 4.310 50 0 HIAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)CCS2 ZINC000004908320 535566562 /nfs/dbraw/zinc/56/65/62/535566562.db2.gz HUWFSKQRTGZECK-OAQYLSRUSA-N 0 3 409.599 4.321 50 0 HIAAHN CCN1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccc(F)cc3Cl)cc2C)CC1 ZINC000012520727 535748076 /nfs/dbraw/zinc/74/80/76/535748076.db2.gz RUEAUTZSAPGZHY-MRXNPFEDSA-N 0 3 418.944 4.369 50 0 HIAAHN COc1ccc(C[C@@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1 ZINC000012383629 536495699 /nfs/dbraw/zinc/49/56/99/536495699.db2.gz FOKVRSQIASQCIA-MRXNPFEDSA-N 0 3 408.464 4.476 50 0 HIAAHN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](NC5CCCC5)C4=O)cc3)sc2c1 ZINC000004649074 557575378 /nfs/dbraw/zinc/57/53/78/557575378.db2.gz DOWUFSWXDXXYON-LJQANCHMSA-N 0 3 405.523 4.436 50 0 HIAAHN C[C@H](CN1[C@H](C)CCC[C@H]1C)OC(=O)c1ccccc1I ZINC000004664850 557578421 /nfs/dbraw/zinc/57/84/21/557578421.db2.gz GFRXZFCEZIIFSF-MGPQQGTHSA-N 0 3 401.288 4.099 50 0 HIAAHN O=C(NCc1cccs1)[C@H]1CC12CCN(Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000011788087 558276683 /nfs/dbraw/zinc/27/66/83/558276683.db2.gz FUYAUAADASYHGD-HXUWFJFHSA-N 0 3 406.555 4.057 50 0 HIAAHN COc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)cc1 ZINC000011813478 558278324 /nfs/dbraw/zinc/27/83/24/558278324.db2.gz UVJLWLIENYOCLF-UHFFFAOYSA-N 0 3 404.514 4.290 50 0 HIAAHN O=C(c1cnn(-c2ccccc2)c1)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000011815400 558279274 /nfs/dbraw/zinc/27/92/74/558279274.db2.gz NCDBJRCABRETPB-VWLOTQADSA-N 0 3 418.516 4.140 50 0 HIAAHN CCc1ccc(NC(=O)CC2C(=O)N(Cc3ccco3)c3nc4ccccc4n32)cc1 ZINC000019817594 558287971 /nfs/dbraw/zinc/28/79/71/558287971.db2.gz LPUGMOVMGQZVNE-NRFANRHFSA-N 0 3 414.465 4.308 50 0 HIAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1cnn(-c2ccccc2)c1 ZINC000011874872 558292516 /nfs/dbraw/zinc/29/25/16/558292516.db2.gz ZFRBJSOZNAUWRD-UHFFFAOYSA-N 0 3 420.532 4.038 50 0 HIAAHN O=C(CCC1CCN(Cc2cccc3nonc32)CC1)NCc1cccc(Cl)c1 ZINC000011879434 558293988 /nfs/dbraw/zinc/29/39/88/558293988.db2.gz QDYKQCZPGKAHOM-UHFFFAOYSA-N 0 3 412.921 4.185 50 0 HIAAHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)n1 ZINC000011937887 558301339 /nfs/dbraw/zinc/30/13/39/558301339.db2.gz OPPUXCXFNFFKPI-UHFFFAOYSA-N 0 3 402.498 4.428 50 0 HIAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2cc3ccccc3[nH]2)C1 ZINC000012056375 558315897 /nfs/dbraw/zinc/31/58/97/558315897.db2.gz QFOPGACATALYJV-IBGZPJMESA-N 0 3 405.542 4.203 50 0 HIAAHN Cc1ccc2c(c1)c1c(n2C[C@H](O)CN2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000020059512 558329199 /nfs/dbraw/zinc/32/91/99/558329199.db2.gz JIWLKQFUADLPCW-HSZRJFAPSA-N 0 3 417.597 4.007 50 0 HIAAHN CN(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCCc1ccc(F)cc1 ZINC000012150405 558338896 /nfs/dbraw/zinc/33/88/96/558338896.db2.gz MPDSPSWRDJUSLS-UHFFFAOYSA-N 0 3 406.501 4.292 50 0 HIAAHN COc1ccccc1N1CCN([C@H]2CCCN(Cc3cc(C)c(OC)cc3C)C2)CC1 ZINC000020233314 558350405 /nfs/dbraw/zinc/35/04/05/558350405.db2.gz RSMBRCQRAMTPBN-QHCPKHFHSA-N 0 3 423.601 4.107 50 0 HIAAHN COc1ccc(CN2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012199113 558350804 /nfs/dbraw/zinc/35/08/04/558350804.db2.gz IAOQHNCNYQKJFZ-UHFFFAOYSA-N 0 3 410.514 4.097 50 0 HIAAHN CN1CCC[C@]2(CCCN(C(=O)c3csc4nc(-c5ccccc5F)cn34)C2)C1 ZINC000012200841 558351260 /nfs/dbraw/zinc/35/12/60/558351260.db2.gz WOZJTQSBCQCZLL-QFIPXVFZSA-N 0 3 412.534 4.150 50 0 HIAAHN O=C(c1cc2ccccc2oc1=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1F)C2 ZINC000012201923 558351812 /nfs/dbraw/zinc/35/18/12/558351812.db2.gz YUUDKYJNOCABQY-VWLOTQADSA-N 0 3 420.484 4.060 50 0 HIAAHN CC(=O)c1cccc(CN2CCC[C@H](C(=O)Nc3ccc(-n4ccnc4C)cc3)C2)c1 ZINC000012206886 558353049 /nfs/dbraw/zinc/35/30/49/558353049.db2.gz BPFZJKQSGWDIEV-QFIPXVFZSA-N 0 3 416.525 4.234 50 0 HIAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)c2ccccc2SC)cc1 ZINC000012209087 558353522 /nfs/dbraw/zinc/35/35/22/558353522.db2.gz GYXIBSJHPJTKBX-UHFFFAOYSA-N 0 3 412.599 4.444 50 0 HIAAHN COc1ccc(-c2n[nH]cc2CN2CCC(OCc3ccccc3)CC2)c(OC)c1 ZINC000012298026 558368016 /nfs/dbraw/zinc/36/80/16/558368016.db2.gz RAPHMLSJDISRAR-UHFFFAOYSA-N 0 3 407.514 4.275 50 0 HIAAHN Cc1ccc2[nH]nc(C(=O)N(C)C[C@@H]3CCCN(CCc4ccccc4F)C3)c2c1 ZINC000012302984 558372649 /nfs/dbraw/zinc/37/26/49/558372649.db2.gz IMNQLHGYYNPMKO-SFHVURJKSA-N 0 3 408.521 4.037 50 0 HIAAHN Clc1ccc(-n2cccc2CN[C@@H]2CCCc3c2cnn3-c2ccccn2)nc1 ZINC000012318880 558381660 /nfs/dbraw/zinc/38/16/60/558381660.db2.gz HGMOLFDSNSGELY-LJQANCHMSA-N 0 3 404.905 4.274 50 0 HIAAHN C[C@@H](CN1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1I ZINC000012362947 558387478 /nfs/dbraw/zinc/38/74/78/558387478.db2.gz GFRXZFCEZIIFSF-MJBXVCDLSA-N 0 3 401.288 4.099 50 0 HIAAHN COc1cccc(-c2cc(CC3(O)CCN(Cc4cc(C)c(O)c(C)c4)CC3)on2)c1 ZINC000012387479 558396540 /nfs/dbraw/zinc/39/65/40/558396540.db2.gz CNBPXSPHLJCDRW-UHFFFAOYSA-N 0 3 422.525 4.242 50 0 HIAAHN CCOc1cccc(CN2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)c1 ZINC000012439456 558410927 /nfs/dbraw/zinc/41/09/27/558410927.db2.gz NXPVMSPGZDIHNY-UHFFFAOYSA-N 0 3 408.542 4.365 50 0 HIAAHN CC(C)c1nc(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3F)C2)cs1 ZINC000012572551 558429735 /nfs/dbraw/zinc/42/97/35/558429735.db2.gz MGADDQLAJALKOO-QGZVFWFLSA-N 0 3 403.567 4.432 50 0 HIAAHN CN(Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@@H]1CCCCO1 ZINC000012589316 558435160 /nfs/dbraw/zinc/43/51/60/558435160.db2.gz RKYODAQITQCKCD-NRFANRHFSA-N 0 3 405.498 4.269 50 0 HIAAHN COC[C@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000012612474 558438956 /nfs/dbraw/zinc/43/89/56/558438956.db2.gz STTGWNAQDZKDBQ-SFHVURJKSA-N 0 3 405.498 4.126 50 0 HIAAHN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)NCc1ccccc1CN1CCOCC1 ZINC000021702684 558445957 /nfs/dbraw/zinc/44/59/57/558445957.db2.gz HYWBGLHMOCPVLO-VQTJNVASSA-N 0 3 409.574 4.149 50 0 HIAAHN Cc1ccc(-n2cc(CNCCN3CCCCC3=O)c(-c3ccc(F)cc3)n2)cc1 ZINC000012702045 558448092 /nfs/dbraw/zinc/44/80/92/558448092.db2.gz SPPCGVOQAAYPPO-UHFFFAOYSA-N 0 3 406.505 4.089 50 0 HIAAHN COc1ccc(CNC[C@@H](c2cccs2)N2CCC(C)CC2)c(OC)c1OC ZINC000021841294 558451670 /nfs/dbraw/zinc/45/16/70/558451670.db2.gz WILIMXPPGYUFJO-SFHVURJKSA-N 0 3 404.576 4.337 50 0 HIAAHN O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCCN(Cc2cccc(OCCO)c2)C1 ZINC000012712099 558453282 /nfs/dbraw/zinc/45/32/82/558453282.db2.gz KEZBBIXDDVKHRC-JOCHJYFZSA-N 0 3 415.533 4.404 50 0 HIAAHN COc1ccc(C(=O)NCc2ccc(C)s2)cc1OC1CCN(C(C)C)CC1 ZINC000012761654 558461176 /nfs/dbraw/zinc/46/11/76/558461176.db2.gz SBGFKPOEYHZFQV-UHFFFAOYSA-N 0 3 402.560 4.247 50 0 HIAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)CCc2cn[nH]c2)c(F)c1 ZINC000023340307 558550647 /nfs/dbraw/zinc/55/06/47/558550647.db2.gz PWMRMMYSIUVGMF-UHFFFAOYSA-N 0 3 405.477 4.085 50 0 HIAAHN Cc1c2ccccc2[nH]c1CN1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000023375162 558554623 /nfs/dbraw/zinc/55/46/23/558554623.db2.gz PRZSXUPHVPNYCK-HXUWFJFHSA-N 0 3 406.549 4.402 50 0 HIAAHN CN1CCC(NC(=O)c2cc(-c3cccs3)nc3onc(-c4ccccc4)c32)CC1 ZINC000013641186 558555551 /nfs/dbraw/zinc/55/55/51/558555551.db2.gz GXELDKYIROSVQJ-UHFFFAOYSA-N 0 3 418.522 4.442 50 0 HIAAHN c1nc2ccccc2n1-c1ccc(CNC[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000023908827 558581332 /nfs/dbraw/zinc/58/13/32/558581332.db2.gz HABSEDLBDJHLNA-DEOSSOPVSA-N 0 3 412.537 4.016 50 0 HIAAHN COc1cc(Cl)cc(CNCCCN2CCCC2=O)c1OCc1ccccc1 ZINC000013728047 558585373 /nfs/dbraw/zinc/58/53/73/558585373.db2.gz ROVDYLPUOUHDDQ-UHFFFAOYSA-N 0 3 402.922 4.030 50 0 HIAAHN COc1cc(CNCc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731436 558586754 /nfs/dbraw/zinc/58/67/54/558586754.db2.gz DLFSXJRSEOENRH-UHFFFAOYSA-N 0 3 408.473 4.450 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000013786899 558593602 /nfs/dbraw/zinc/59/36/02/558593602.db2.gz TYJWFNFJWIQGNP-NJDAHSKKSA-N 0 3 406.388 4.016 50 0 HIAAHN COc1cc(CN2CCC[C@H](C)C2)ccc1OCCCNC(=O)c1cccc(F)c1 ZINC000014880575 558675874 /nfs/dbraw/zinc/67/58/74/558675874.db2.gz MSOWIBRZDWEQLQ-SFHVURJKSA-N 0 3 414.521 4.265 50 0 HIAAHN COc1cc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc(OC)c1OC ZINC000027662535 558678426 /nfs/dbraw/zinc/67/84/26/558678426.db2.gz DQXBDAVGCFFOMF-KRWDZBQOSA-N 0 3 418.559 4.121 50 0 HIAAHN O=C(NCCC1=CCCCC1)[C@H]1CC12CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC000014990284 558694123 /nfs/dbraw/zinc/69/41/23/558694123.db2.gz OHYRPAMMOVFDQN-OAQYLSRUSA-N 0 3 410.558 4.067 50 0 HIAAHN Cc1ccc(F)cc1CN1C(=O)CC[C@@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000014998115 558696811 /nfs/dbraw/zinc/69/68/11/558696811.db2.gz UIEGXHSOCTVUIA-GOSISDBHSA-N 0 3 418.896 4.187 50 0 HIAAHN CCc1c(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)cc(C)n1CCN1CCCCC1 ZINC000015069603 558711917 /nfs/dbraw/zinc/71/19/17/558711917.db2.gz HZZHRSSGQIXXFY-JOCHJYFZSA-N 0 3 421.585 4.012 50 0 HIAAHN O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1CCCc1ccccc1 ZINC000015070267 558712246 /nfs/dbraw/zinc/71/22/46/558712246.db2.gz HUDISAJDDNCJBL-IBGZPJMESA-N 0 3 414.933 4.172 50 0 HIAAHN Cc1ccc2c(C)c(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1 ZINC000016199619 558778108 /nfs/dbraw/zinc/77/81/08/558778108.db2.gz OLJBWYZYWZPVGC-UHFFFAOYSA-N 0 3 418.537 4.123 50 0 HIAAHN CCN1CCC[C@@H]1CNC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C ZINC000016694769 558800663 /nfs/dbraw/zinc/80/06/63/558800663.db2.gz XDKKJOVSQQHPNL-HXUWFJFHSA-N 0 3 407.514 4.238 50 0 HIAAHN CN(C)CCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000004679752 558890872 /nfs/dbraw/zinc/89/08/72/558890872.db2.gz QHPJBPSDDIVCAK-UHFFFAOYSA-N 0 3 413.993 4.142 50 0 HIAAHN C[C@@H](CNC(=O)CCc1nc2ccccc2n1-c1ccccc1)N1CCC(C)CC1 ZINC000058209352 558911918 /nfs/dbraw/zinc/91/19/18/558911918.db2.gz HNEWPUWMBHUGTG-FQEVSTJZSA-N 0 3 404.558 4.195 50 0 HIAAHN O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)N1CC[C@H](N2CCCC2)C1 ZINC000060374038 558941970 /nfs/dbraw/zinc/94/19/70/558941970.db2.gz AKFWBXJNHKHQAK-SFHVURJKSA-N 0 3 418.463 4.079 50 0 HIAAHN COc1ccc(NC(=O)CC[C@@H]2CCCN(CCc3ccccn3)C2)cc1Cl ZINC000095527801 559086315 /nfs/dbraw/zinc/08/63/15/559086315.db2.gz SYPFMRMEMWROQT-KRWDZBQOSA-N 0 3 401.938 4.417 50 0 HIAAHN CCCCOc1ccc(-c2n[nH]cc2C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000072328664 559176834 /nfs/dbraw/zinc/17/68/34/559176834.db2.gz BGVXCTQTNPGRMR-UHFFFAOYSA-N 0 3 410.562 4.346 50 0 HIAAHN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000023737729 559179534 /nfs/dbraw/zinc/17/95/34/559179534.db2.gz OTHAQESBWNKBOP-FQEVSTJZSA-N 0 3 408.933 4.401 50 0 HIAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000004905704 559201669 /nfs/dbraw/zinc/20/16/69/559201669.db2.gz ZNCTUOFDDJHXKX-FQEVSTJZSA-N 0 3 405.498 4.159 50 0 HIAAHN CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000005093745 559244393 /nfs/dbraw/zinc/24/43/93/559244393.db2.gz KANUWOBNLCKHGV-QFIPXVFZSA-N 0 3 421.541 4.449 50 0 HIAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000011767255 559258745 /nfs/dbraw/zinc/25/87/45/559258745.db2.gz JBQNCVLWGWHZHF-SFHVURJKSA-N 0 3 409.977 4.072 50 0 HIAAHN Cc1cccc2sc(N(Cc3ccccn3)C(=O)C3COc4ccccc4O3)nc21 ZINC000005264832 560553373 /nfs/dbraw/zinc/55/33/73/560553373.db2.gz QADSQDJDUICCDM-LJQANCHMSA-N 0 3 417.490 4.373 50 0 HIAAHN COc1ccccc1N1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@@H]32)CC1 ZINC000061992889 560568828 /nfs/dbraw/zinc/56/88/28/560568828.db2.gz WPMSKGJSKVLMAS-QBIGFDGOSA-N 0 3 424.585 4.276 50 0 HIAAHN CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CN1CCN(c2ccc(F)cc2)CC1 ZINC000061997008 560568887 /nfs/dbraw/zinc/56/88/87/560568887.db2.gz HVWGZKYGLNJPGC-AFFJLAOCSA-N 0 3 412.549 4.406 50 0 HIAAHN CCN(CC)CCn1cnc2c(c1=N)[C@@H](c1ccc(Cl)cc1)c1ccc(O)cc1O2 ZINC000005345174 560569806 /nfs/dbraw/zinc/56/98/06/560569806.db2.gz XFTZSCCGCCBGFH-FQEVSTJZSA-N 0 3 424.932 4.349 50 0 HIAAHN CCC[C@@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)C2ON1c1ccccc1 ZINC000018066295 560774448 /nfs/dbraw/zinc/77/44/48/560774448.db2.gz OAEOLBCEEPGHDO-NUJGCVRESA-N 0 3 405.281 4.472 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(F)c4)[C@@H]3C2=O)cc1 ZINC000102759017 560825948 /nfs/dbraw/zinc/82/59/48/560825948.db2.gz IDJCVRPNKSOUSB-FDFHNCONSA-N 0 3 402.425 4.185 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102861417 560831974 /nfs/dbraw/zinc/83/19/74/560831974.db2.gz RVEWCUFWWOMOPX-GBESFXJTSA-N 0 3 410.882 4.453 50 0 HIAAHN O=C(c1cccc(N[C@@H]2CCCN(Cc3ccccc3)C2)c1)N1CCCC[C@H]1CCO ZINC000108157412 560898143 /nfs/dbraw/zinc/89/81/43/560898143.db2.gz OHEWWTSYTUCAFM-RPBOFIJWSA-N 0 3 421.585 4.140 50 0 HIAAHN CCOc1cc(CNCCOC)cc(Br)c1OCc1ccc(C)cc1 ZINC000020874782 568460626 /nfs/dbraw/zinc/46/06/26/568460626.db2.gz QDAHNQMCUOUROQ-UHFFFAOYSA-N 0 3 408.336 4.471 50 0 HIAAHN CCN1CCN(CCCN(Cc2ccco2)C(=S)Nc2c(C)cccc2C)CC1 ZINC000020107862 568588368 /nfs/dbraw/zinc/58/83/68/568588368.db2.gz ORJJDZKHNDHLAV-UHFFFAOYSA-N 0 3 414.619 4.123 50 0 HIAAHN CCN1CCC2(CC1)N=C(c1ccc(F)cc1)C(=S)N2C(=O)c1ccccc1F ZINC000020436125 568607253 /nfs/dbraw/zinc/60/72/53/568607253.db2.gz ITOVQTJXXDLODF-UHFFFAOYSA-N 0 3 413.493 4.049 50 0 HIAAHN CC[C@@H](CO)NCc1cnc(C)c2oc(-c3cc(=O)oc4c(C)c(C)ccc34)cc21 ZINC000096114081 568693574 /nfs/dbraw/zinc/69/35/74/568693574.db2.gz SSUGIRRWLQPGAW-KRWDZBQOSA-N 0 3 406.482 4.387 50 0 HIAAHN CCCN(CC(=O)Nc1cc(OC)ccc1OC)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000229746828 568715216 /nfs/dbraw/zinc/71/52/16/568715216.db2.gz SVAXMYVZZXPGMK-NHCUHLMSSA-N 0 3 404.551 4.092 50 0 HIAAHN CCc1cccc2c([C@H](CC(=O)NCCN3CCCC3)c3ccccc3OC)c[nH]c21 ZINC000096276620 568715416 /nfs/dbraw/zinc/71/54/16/568715416.db2.gz KXNRTXOXCCPGEI-JOCHJYFZSA-N 0 3 419.569 4.473 50 0 HIAAHN Cc1ccc(CN2c3ccccc3OC[C@H]2CC(=O)NCCN2CCCCCC2)cc1 ZINC000096323074 568731366 /nfs/dbraw/zinc/73/13/66/568731366.db2.gz YICLHKMFRLPSGU-HSZRJFAPSA-N 0 3 421.585 4.145 50 0 HIAAHN OCCCCCNCc1nn(Cc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000247794561 568745620 /nfs/dbraw/zinc/74/56/20/568745620.db2.gz QLGADIOQZLALOJ-UHFFFAOYSA-N 0 3 402.901 4.038 50 0 HIAAHN COCCCNCc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000247906549 568746116 /nfs/dbraw/zinc/74/61/16/568746116.db2.gz XGBGQZFTDQYJBA-UHFFFAOYSA-N 0 3 405.329 4.426 50 0 HIAAHN Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000002890321 568815058 /nfs/dbraw/zinc/81/50/58/568815058.db2.gz WMGBHQRLJYYYMU-FQEVSTJZSA-N 0 3 410.901 4.252 50 0 HIAAHN Cc1cccc(Cn2nc(CNCCCOc3ccccn3)c(-c3ccccc3)n2)c1 ZINC000261492625 568820569 /nfs/dbraw/zinc/82/05/69/568820569.db2.gz VMIUBGRHUNAWBS-UHFFFAOYSA-N 0 3 413.525 4.256 50 0 HIAAHN CC(C)[C@@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000012516676 568840670 /nfs/dbraw/zinc/84/06/70/568840670.db2.gz KDIUGTWZWPKFNJ-RUZDIDTESA-N 0 3 423.557 4.374 50 0 HIAAHN CCN(CC)Cc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)o1 ZINC000006085690 568997979 /nfs/dbraw/zinc/99/79/79/568997979.db2.gz QVYRVOYVLWHYPT-JOCHJYFZSA-N 0 3 413.562 4.087 50 0 HIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1sc2ncccc2c1-n1cccc1 ZINC000015786025 569006788 /nfs/dbraw/zinc/00/67/88/569006788.db2.gz XQRHLTBMTVXMBD-UHFFFAOYSA-N 0 3 416.550 4.481 50 0 HIAAHN Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(CN5CCCC5)c4)c3c2)o1 ZINC000035462155 569038047 /nfs/dbraw/zinc/03/80/47/569038047.db2.gz VLTUTGICGFLSJN-UHFFFAOYSA-N 0 3 415.497 4.234 50 0 HIAAHN CCN(CC)[C@H](CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000013012459 569050636 /nfs/dbraw/zinc/05/06/36/569050636.db2.gz SWIYCIBSZDCDBS-HSZRJFAPSA-N 0 3 422.573 4.130 50 0 HIAAHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C1=O ZINC000136164429 569053627 /nfs/dbraw/zinc/05/36/27/569053627.db2.gz BGMVTEUMGWDEOV-ACIOBRDBSA-N 0 3 416.452 4.494 50 0 HIAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000238950479 569053911 /nfs/dbraw/zinc/05/39/11/569053911.db2.gz YIUVGXMAJGCVAH-XPWALMASSA-N 0 3 414.461 4.055 50 0 HIAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](CC(C)C)[C@@H]3C2=O)cc1 ZINC000245327738 569055992 /nfs/dbraw/zinc/05/59/92/569055992.db2.gz PVHNACHDIDKRKZ-BHIFYINESA-N 0 3 408.498 4.200 50 0 HIAAHN O=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000064593987 569069670 /nfs/dbraw/zinc/06/96/70/569069670.db2.gz NKAKAURJTQZCGE-UHFFFAOYSA-N 0 3 405.517 4.319 50 0 HIAAHN CCn1cc(CN2CCC(C(=O)NCc3ccccc3)CC2)c2cc(OC)ccc21 ZINC000064669623 569078920 /nfs/dbraw/zinc/07/89/20/569078920.db2.gz KKYXPNUWWSMXAQ-UHFFFAOYSA-N 0 3 405.542 4.198 50 0 HIAAHN CCOC(=O)c1ccccc1NC(=O)N1CCC[C@H](CN2CCc3ccccc3C2)C1 ZINC000006877389 569164298 /nfs/dbraw/zinc/16/42/98/569164298.db2.gz WYKSEOCUVNJMSC-LJQANCHMSA-N 0 3 421.541 4.166 50 0 HIAAHN CN(C)CCNC(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c21 ZINC000036618327 569209890 /nfs/dbraw/zinc/20/98/90/569209890.db2.gz WOVCAWSZGDJRFS-UHFFFAOYSA-N 0 3 410.474 4.049 50 0 HIAAHN Cc1cc(N(C)C)ccc1NC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000170614578 569247174 /nfs/dbraw/zinc/24/71/74/569247174.db2.gz ZMFPORHBLOOTLD-OALUTQOASA-N 0 3 405.464 4.310 50 0 HIAAHN O=C(CCN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)Nc1cccc(F)c1 ZINC000089775161 569263555 /nfs/dbraw/zinc/26/35/55/569263555.db2.gz GARVGHMLXVZLFX-MRXNPFEDSA-N 0 3 412.440 4.223 50 0 HIAAHN COc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCCCC2)cc1 ZINC000016993887 569270803 /nfs/dbraw/zinc/27/08/03/569270803.db2.gz QXHDSRZFXWWRPF-QHCPKHFHSA-N 0 3 408.498 4.088 50 0 HIAAHN Cc1cc(N(C)C)ccc1NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000252517093 569292257 /nfs/dbraw/zinc/29/22/57/569292257.db2.gz ZMFPORHBLOOTLD-RTBURBONSA-N 0 3 405.464 4.310 50 0 HIAAHN CCN(CC(=O)N[C@@H](C)c1cccs1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000252548778 569294056 /nfs/dbraw/zinc/29/40/56/569294056.db2.gz QKQJGCGHXVYPIF-IRXDYDNUSA-N 0 3 409.596 4.037 50 0 HIAAHN Cc1cccc(Cn2c(C(=O)NCCN(C)C)cc3scc(Br)c32)c1 ZINC000037543615 569305386 /nfs/dbraw/zinc/30/53/86/569305386.db2.gz QNKNMLVPCOGHEC-UHFFFAOYSA-N 0 3 420.376 4.113 50 0 HIAAHN O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 ZINC000012431040 569401264 /nfs/dbraw/zinc/40/12/64/569401264.db2.gz OBXAQYFZXPBRKV-JOCHJYFZSA-N 0 3 420.553 4.017 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccnc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000009424249 571257651 /nfs/dbraw/zinc/25/76/51/571257651.db2.gz XAMWYDMNVIRRQK-WXFUMESZSA-N 0 3 421.456 4.286 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000009456526 571260270 /nfs/dbraw/zinc/26/02/70/571260270.db2.gz GUSRRSRXMWIWQD-WXFUMESZSA-N 0 3 421.456 4.286 50 0 HIAAHN COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)c(C)c1 ZINC000011774286 845832799 /nfs/dbraw/zinc/83/27/99/845832799.db2.gz UTRJUOTZEVEMOT-LJQANCHMSA-N 0 3 424.541 4.406 50 0 HIAAHN CN(Cc1cccc(OCCNC(=O)c2ccoc2)c1)Cc1cccc2cccnc21 ZINC000012449969 845872459 /nfs/dbraw/zinc/87/24/59/845872459.db2.gz ZXEZCGDQYPTUSW-UHFFFAOYSA-N 0 3 415.493 4.269 50 0 HIAAHN COc1cccc(CN2CCC[C@H](c3nc(CCOc4cccc(C)c4)no3)C2)c1 ZINC000257193293 854235209 /nfs/dbraw/zinc/23/52/09/854235209.db2.gz XXDCWAMGWIOIFW-FQEVSTJZSA-N 0 3 407.514 4.388 50 0 HIAAHN O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000000720276 132232009 /nfs/dbraw/zinc/23/20/09/132232009.db2.gz BHWOJAMWFTUYLW-UHFFFAOYSA-N 0 3 409.864 4.005 50 0 HIAAHN CCOc1cc(CNCCCO)cc(Br)c1OCc1ccccc1F ZINC000040744893 520711664 /nfs/dbraw/zinc/71/16/64/520711664.db2.gz ULUBKHPGZKDPCH-UHFFFAOYSA-N 0 3 412.299 4.038 50 0 HIAAHN COc1cc(CNCCCO)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000040744856 522447921 /nfs/dbraw/zinc/44/79/21/522447921.db2.gz SCVMBZSGVDNSCY-UHFFFAOYSA-N 0 3 414.727 4.162 50 0 HIAAHN Cc1cccc(-c2csc3c2nc(N2CCN(C4CCCCC4)CC2)[nH]c3=O)c1 ZINC000048985962 524114717 /nfs/dbraw/zinc/11/47/17/524114717.db2.gz KWQGQZXGGYXSDG-UHFFFAOYSA-N 0 3 408.571 4.415 50 0 HIAAHN COc1cccc(CNCCc2ccccc2)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734592 526016724 /nfs/dbraw/zinc/01/67/24/526016724.db2.gz OZCNBZLEBMBYSA-UHFFFAOYSA-N 0 3 404.510 4.353 50 0 HIAAHN OCCCNCc1cc(Br)ccc1OCc1ccc(F)cc1Cl ZINC000040743796 527540911 /nfs/dbraw/zinc/54/09/11/527540911.db2.gz ZHVAHYPKUJMCHW-UHFFFAOYSA-N 0 3 402.691 4.293 50 0 HIAAHN Clc1ccc(Cn2ncc3c2ncnc3NCCN2CCCCC2)c(Cl)c1 ZINC000002295150 557335099 /nfs/dbraw/zinc/33/50/99/557335099.db2.gz RMWHLRVTMZCIEI-UHFFFAOYSA-N 0 3 405.333 4.079 50 0 HIAAHN CCOc1cc(CNCc2ccccc2)ccc1OCC(=O)NCc1ccccc1 ZINC000002886164 557422043 /nfs/dbraw/zinc/42/20/43/557422043.db2.gz XJOOJNFELLUDOK-UHFFFAOYSA-N 0 3 404.510 4.070 50 0 HIAAHN COc1ccc(CCN(C(=O)c2ccc(F)cc2)C2=C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000004400005 557552043 /nfs/dbraw/zinc/55/20/43/557552043.db2.gz XQNYCULHMXKFNJ-RTWAWAEBSA-N 0 3 424.516 4.278 50 0 HIAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000008382778 557784685 /nfs/dbraw/zinc/78/46/85/557784685.db2.gz DOMOMRYASJJXGD-INIZCTEOSA-N 0 3 418.921 4.245 50 0 HIAAHN COc1cc(Br)cc(CNC[C@@H]2CCCO2)c1OCc1ccccc1 ZINC000010474449 558258022 /nfs/dbraw/zinc/25/80/22/558258022.db2.gz LEYNOHJYLOXCNZ-SFHVURJKSA-N 0 3 406.320 4.305 50 0 HIAAHN Cc1ccc(C)c(-c2n[nH]cc2CN2CCC[C@H](CNC(=O)c3cccs3)C2)c1 ZINC000011661149 558265004 /nfs/dbraw/zinc/26/50/04/558265004.db2.gz PRMIRESXIUKQTI-GOSISDBHSA-N 0 3 408.571 4.397 50 0 HIAAHN COCCNC(=O)c1cccc(OC2CCN(CC[C@@H](C)c3ccc(C)o3)CC2)c1 ZINC000011844127 558288902 /nfs/dbraw/zinc/28/89/02/558288902.db2.gz MBFLTURMHLROMS-GOSISDBHSA-N 0 3 414.546 4.001 50 0 HIAAHN CCOc1ccc(CN2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)cc1 ZINC000011878937 558293425 /nfs/dbraw/zinc/29/34/25/558293425.db2.gz IEQAODSWPHECBA-UHFFFAOYSA-N 0 3 408.542 4.365 50 0 HIAAHN O=C(CCC1CCN(Cc2ccccc2F)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000011878912 558293458 /nfs/dbraw/zinc/29/34/58/558293458.db2.gz MNAWKCDGDLOPET-DEOSSOPVSA-N 0 3 423.576 4.209 50 0 HIAAHN Cc1nn(C(C)C)c(C)c1CN1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000019852015 558295839 /nfs/dbraw/zinc/29/58/39/558295839.db2.gz VWFKWGKJSFSIBW-QHCPKHFHSA-N 0 3 413.585 4.007 50 0 HIAAHN O=C(c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)N1CCN2CCC[C@H]2C1 ZINC000011935620 558299757 /nfs/dbraw/zinc/29/97/57/558299757.db2.gz JFKPMOMFTREORO-HNNXBMFYSA-N 0 3 420.460 4.002 50 0 HIAAHN O=C(CCC1CCN(Cc2ccc(OCCO)cc2)CC1)Nc1ccccc1Cl ZINC000011997748 558307281 /nfs/dbraw/zinc/30/72/81/558307281.db2.gz HTKDMELZUSHRDZ-UHFFFAOYSA-N 0 3 416.949 4.342 50 0 HIAAHN O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1cccc(F)c1F ZINC000012040727 558312787 /nfs/dbraw/zinc/31/27/87/558312787.db2.gz NDAFQJCALMFBHF-OAHLLOKOSA-N 0 3 422.859 4.018 50 0 HIAAHN COc1ccccc1N1CCN([C@@H]2CCCN(C/C(C)=C/c3ccccc3)C2)CC1 ZINC000020117757 558336563 /nfs/dbraw/zinc/33/65/63/558336563.db2.gz IKYKMHDZODQJHT-UVRKOZNKSA-N 0 3 405.586 4.385 50 0 HIAAHN COc1cc(CN2CCC[C@H](C)C2)ccc1OCCCNC(=O)c1ccc(F)cc1 ZINC000012150218 558338959 /nfs/dbraw/zinc/33/89/59/558338959.db2.gz HTEWKFHSCMSQRK-SFHVURJKSA-N 0 3 414.521 4.265 50 0 HIAAHN COc1ccc(CCN(C)[C@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)cc1OC ZINC000020452667 558366759 /nfs/dbraw/zinc/36/67/59/558366759.db2.gz MEQOYFMAOGYJMQ-QHCPKHFHSA-N 0 3 410.558 4.045 50 0 HIAAHN COc1ccc(C(=O)NC2CC2)c(OC2CCN(Cc3cc(C)cc(C)c3)CC2)c1 ZINC000012314155 558377892 /nfs/dbraw/zinc/37/78/92/558377892.db2.gz MAJFRVDOZWRFNS-UHFFFAOYSA-N 0 3 408.542 4.248 50 0 HIAAHN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2ccc(NC(C)=O)cc2)C1 ZINC000012581014 558432585 /nfs/dbraw/zinc/43/25/85/558432585.db2.gz ZMBRTCHVTKLOFF-VWLOTQADSA-N 0 3 424.541 4.042 50 0 HIAAHN O=C(Nc1ccnn1C1CCN(Cc2ccc(OC3CCCC3)cc2)CC1)C1CC1 ZINC000012582363 558432910 /nfs/dbraw/zinc/43/29/10/558432910.db2.gz PEGANDIOZAYHJL-UHFFFAOYSA-N 0 3 408.546 4.390 50 0 HIAAHN CSc1ccc([C@@H]2C[C@H]3CN(C4Cc5ccccc5C4)C(=O)[C@]34CCCN24)cc1 ZINC000012592962 558436464 /nfs/dbraw/zinc/43/64/64/558436464.db2.gz PLVRQAJPAYWZJB-OPHFCASCSA-N 0 3 404.579 4.314 50 0 HIAAHN Cc1onc(-c2ccccc2)c1C(=O)N(C)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012716765 558455479 /nfs/dbraw/zinc/45/54/79/558455479.db2.gz DSKMUGSIZQHJJH-JOCHJYFZSA-N 0 3 415.537 4.354 50 0 HIAAHN Cn1cc(CN2CCC([C@H](O)CCc3ccccc3)CC2)c(-c2ccccc2F)n1 ZINC000013594855 558546901 /nfs/dbraw/zinc/54/69/01/558546901.db2.gz MZXIYEJYRZQJPV-XMMPIXPASA-N 0 3 407.533 4.432 50 0 HIAAHN O=C(CC1C(=O)N(C2CCCCC2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000023382323 558555976 /nfs/dbraw/zinc/55/59/76/558555976.db2.gz KXEPMTPDKFWFFA-FQEVSTJZSA-N 0 3 406.461 4.425 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccccc1Cl ZINC000013660769 558559709 /nfs/dbraw/zinc/55/97/09/558559709.db2.gz AKDBBUXGUHMDLV-NJDAHSKKSA-N 0 3 420.852 4.097 50 0 HIAAHN CCOc1cc(CNCc2ccc(F)cc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717728 558580212 /nfs/dbraw/zinc/58/02/12/558580212.db2.gz AIGYOYLVNUNWJF-UHFFFAOYSA-N 0 3 419.460 4.282 50 0 HIAAHN Cc1cc(C)cc(OCCCN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000013987978 558610826 /nfs/dbraw/zinc/61/08/26/558610826.db2.gz LEKJAVXJLFJROL-UHFFFAOYSA-N 0 3 410.514 4.152 50 0 HIAAHN CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN(Cc1ccccc1)CC2 ZINC000014537248 558658557 /nfs/dbraw/zinc/65/85/57/558658557.db2.gz SOMBTKAJBOTXRA-UHFFFAOYSA-N 0 3 413.521 4.269 50 0 HIAAHN Fc1cccc(CN2CCC[C@@H](c3ccnc(SCCN4CCCC4)n3)C2)c1 ZINC000014887035 558677577 /nfs/dbraw/zinc/67/75/77/558677577.db2.gz KBUPEMBXGWSAFS-LJQANCHMSA-N 0 3 400.567 4.183 50 0 HIAAHN COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NCc2ccc(O)c(OC)c2)cc1 ZINC000014975938 558689289 /nfs/dbraw/zinc/68/92/89/558689289.db2.gz WMZRIUBVDLGIFN-HXUWFJFHSA-N 0 3 407.514 4.398 50 0 HIAAHN CN(c1ccccc1)c1ccc(CN2CCC(=O)N(Cc3ccncc3)CC2)cc1 ZINC000014983291 558692517 /nfs/dbraw/zinc/69/25/17/558692517.db2.gz MVFJHSCBOWFFLT-UHFFFAOYSA-N 0 3 400.526 4.084 50 0 HIAAHN O=C(CC[C@@H]1CCCN(Cc2cccc3c2OCO3)C1)NCc1ccccc1Cl ZINC000015062338 558705414 /nfs/dbraw/zinc/70/54/14/558705414.db2.gz IRKSODPGTNHTPR-KRWDZBQOSA-N 0 3 414.933 4.377 50 0 HIAAHN CO[C@H](C(=O)Nc1ccnn1C1CCN(Cc2ccccc2C)CC1)c1ccccc1 ZINC000015065487 558708281 /nfs/dbraw/zinc/70/82/81/558708281.db2.gz NOMIXZPVTFRSFA-DEOSSOPVSA-N 0 3 418.541 4.355 50 0 HIAAHN C[C@@H](CN1C(=O)CC[C@@H]1CCNCc1cc2c(cc1Cl)OCO2)c1ccccc1 ZINC000015070478 558712427 /nfs/dbraw/zinc/71/24/27/558712427.db2.gz SNLCVLMNGCGOKF-QFBILLFUSA-N 0 3 414.933 4.343 50 0 HIAAHN O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1c(F)cccc1F ZINC000015071927 558713523 /nfs/dbraw/zinc/71/35/23/558713523.db2.gz NSNGANGDVAREMT-CQSZACIVSA-N 0 3 422.859 4.018 50 0 HIAAHN CSCCCNC(=O)c1cccc(OC2CCN(CCc3ccccc3)CC2)c1 ZINC000015078788 558717834 /nfs/dbraw/zinc/71/78/34/558717834.db2.gz JFNJOXFOGPPJTI-UHFFFAOYSA-N 0 3 412.599 4.255 50 0 HIAAHN CCOc1ccccc1CN1CCC[C@H](CCC(=O)NCc2cccc(OC)c2)C1 ZINC000015079957 558718319 /nfs/dbraw/zinc/71/83/19/558718319.db2.gz DXQVHKXSVBDLDS-HXUWFJFHSA-N 0 3 410.558 4.403 50 0 HIAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cc1 ZINC000030804001 558738345 /nfs/dbraw/zinc/73/83/45/558738345.db2.gz BFYPEIKNZFIDDT-TYABSZSSSA-N 0 3 404.554 4.427 50 0 HIAAHN O=C(CC1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000030937573 558744804 /nfs/dbraw/zinc/74/48/04/558744804.db2.gz PVVDZJGVVUQBTD-LJQANCHMSA-N 0 3 410.424 4.174 50 0 HIAAHN Cc1noc(-c2cccnc2N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000033004417 558759624 /nfs/dbraw/zinc/75/96/24/558759624.db2.gz WMWSFCQWVNSFSV-UHFFFAOYSA-N 0 3 411.509 4.352 50 0 HIAAHN COc1cc(CNC[C@H]2CCCO2)cc(Br)c1OCc1ccccc1F ZINC000016195848 558778039 /nfs/dbraw/zinc/77/80/39/558778039.db2.gz CIKOVJZLRXJGJD-MRXNPFEDSA-N 0 3 424.310 4.444 50 0 HIAAHN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000016599169 558796452 /nfs/dbraw/zinc/79/64/52/558796452.db2.gz GMASGCQFOIDOBS-GOSISDBHSA-N 0 3 400.885 4.006 50 0 HIAAHN COc1ccc(OCCNCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000016695388 558800883 /nfs/dbraw/zinc/80/08/83/558800883.db2.gz PQWNYNVHMXTKRM-IBGZPJMESA-N 0 3 404.510 4.208 50 0 HIAAHN Cc1cccn2c(=O)c(CCN3CCC(c4noc5cc(F)ccc54)CC3)c(C)nc12 ZINC000000538119 558827601 /nfs/dbraw/zinc/82/76/01/558827601.db2.gz ZZQNEJILGNNOEP-UHFFFAOYSA-N 0 3 420.488 4.014 50 0 investigational HIAAHN COCCNC(=O)c1ccc(OC2CCN(Cc3sccc3C)CC2)c(Cl)c1 ZINC000055099301 558872337 /nfs/dbraw/zinc/87/23/37/558872337.db2.gz LJRVOKKBEZVXNJ-UHFFFAOYSA-N 0 3 422.978 4.130 50 0 HIAAHN COCCN(C(=S)Nc1cccc(C(F)(F)F)c1)C1CCN(C(C)C)CC1 ZINC000004669326 558877199 /nfs/dbraw/zinc/87/71/99/558877199.db2.gz TYPSPBBEPVRCTE-UHFFFAOYSA-N 0 3 403.514 4.223 50 0 HIAAHN Brc1cc(CNC[C@H](c2cccs2)N2CCCC2)cc2c1OCO2 ZINC000058157635 558903440 /nfs/dbraw/zinc/90/34/40/558903440.db2.gz AWLYGSSANCBTIG-OAHLLOKOSA-N 0 3 409.349 4.166 50 0 HIAAHN CNC(=O)c1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000060523958 558905218 /nfs/dbraw/zinc/90/52/18/558905218.db2.gz HJMWAORSNBUVMP-UHFFFAOYSA-N 0 3 410.521 4.497 50 0 HIAAHN Cc1cccc(-c2cc(Nc3ccc(C(=O)NCCN4CCCCC4)cc3)ncn2)c1 ZINC000033261147 558928183 /nfs/dbraw/zinc/92/81/83/558928183.db2.gz ZQCFTHFUEFRRPD-UHFFFAOYSA-N 0 3 415.541 4.411 50 0 HIAAHN OCC1CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC1 ZINC000072408016 558977211 /nfs/dbraw/zinc/97/72/11/558977211.db2.gz CBRMUCGVKSMCFG-UHFFFAOYSA-N 0 3 410.901 4.488 50 0 HIAAHN C[C@H](NCc1ccccc1N(C)C1CCN(C)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000097165685 558998562 /nfs/dbraw/zinc/99/85/62/558998562.db2.gz AAFXHRCQFMFBQR-KRWDZBQOSA-N 0 3 423.536 4.257 50 0 HIAAHN O[C@H](CO[C@H]1CCCc2ccccc21)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000247741067 559114552 /nfs/dbraw/zinc/11/45/52/559114552.db2.gz OAKOVNVYZPJBSD-PMVMPFDFSA-N 0 3 409.526 4.050 50 0 HIAAHN CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccs1 ZINC000011614680 559114611 /nfs/dbraw/zinc/11/46/11/559114611.db2.gz SNTFJJNMAWSALL-QGZVFWFLSA-N 0 3 402.903 4.005 50 0 HIAAHN O[C@H](CO[C@@H]1CCCc2ccccc21)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000247741064 559114616 /nfs/dbraw/zinc/11/46/16/559114616.db2.gz OAKOVNVYZPJBSD-ACIOBRDBSA-N 0 3 409.526 4.050 50 0 HIAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000100706149 559138100 /nfs/dbraw/zinc/13/81/00/559138100.db2.gz ZPZGLGQNLNPWBX-QHAWAJNXSA-N 0 3 420.490 4.198 50 0 HIAAHN COc1cc(CNCCCOc2ccccn2)ccc1OCc1ccc(Cl)nc1 ZINC000113397190 559180142 /nfs/dbraw/zinc/18/01/42/559180142.db2.gz BLSPFKSQGOAQKI-UHFFFAOYSA-N 0 3 413.905 4.276 50 0 HIAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000004903095 559200033 /nfs/dbraw/zinc/20/00/33/559200033.db2.gz UESPLQLIAMSYST-FQEVSTJZSA-N 0 3 405.498 4.161 50 0 HIAAHN COc1ccc2cc3cc(C(=O)NCCCN(C)Cc4ccccc4)oc3nc2c1 ZINC000004908197 559201009 /nfs/dbraw/zinc/20/10/09/559201009.db2.gz QRDPAWUZPNKEQZ-UHFFFAOYSA-N 0 3 403.482 4.242 50 0 HIAAHN CC(=O)c1cccc(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)c1 ZINC000004921946 559206830 /nfs/dbraw/zinc/20/68/30/559206830.db2.gz PFLICYKRNMWAAM-UHFFFAOYSA-N 0 3 401.466 4.066 50 0 HIAAHN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CCN(C(C)C)CC2)cc1 ZINC000005092277 559244097 /nfs/dbraw/zinc/24/40/97/559244097.db2.gz BQKLTGSNVSKETD-QFIPXVFZSA-N 0 3 421.541 4.448 50 0 HIAAHN CCN(C)[C@H](C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000252478024 559277284 /nfs/dbraw/zinc/27/72/84/559277284.db2.gz ZZYPOMUWCLMTOD-NYVOZVTQSA-N 0 3 417.956 4.281 50 0 HIAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(F)cc5)CC4)[C@H]3C=C12 ZINC000061992872 560568824 /nfs/dbraw/zinc/56/88/24/560568824.db2.gz VHKAGAPLPOVTCQ-GVSOOPAKSA-N 0 3 412.549 4.262 50 0 HIAAHN O=C(CSC1=NCCN1)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000005415902 560584694 /nfs/dbraw/zinc/58/46/94/560584694.db2.gz WLEUIZXPJJXENL-JOCHJYFZSA-N 0 3 414.534 4.210 50 0 HIAAHN CCCC[C@@H]1[C@@H]2C(=O)N(c3ccc(OCCC)cc3)C(=O)C2ON1c1ccccc1 ZINC000101048656 560767366 /nfs/dbraw/zinc/76/73/66/560767366.db2.gz HTHMRCIAPOXXJW-FSSWDIPSSA-N 0 3 408.498 4.344 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1C ZINC000102707111 560820587 /nfs/dbraw/zinc/82/05/87/560820587.db2.gz QVIBHYIQLLOPTC-XPWALMASSA-N 0 3 414.461 4.060 50 0 HIAAHN COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2cccs2)c1 ZINC000102910350 560835185 /nfs/dbraw/zinc/83/51/85/560835185.db2.gz OQMSVMBTGWOPNJ-PCCBWWKXSA-N 0 3 420.490 4.116 50 0 HIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4C)[C@@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000102910350 560835186 /nfs/dbraw/zinc/83/51/86/560835186.db2.gz OQMSVMBTGWOPNJ-PCCBWWKXSA-N 0 3 420.490 4.116 50 0 HIAAHN CCCN1CCN(CCCNC(=O)c2cc3c(s2)-c2ccccc2SC3)CC1 ZINC000020414577 568605722 /nfs/dbraw/zinc/60/57/22/568605722.db2.gz XVHPRMMOUZPUSK-UHFFFAOYSA-N 0 3 415.628 4.168 50 0 HIAAHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000225504699 568644143 /nfs/dbraw/zinc/64/41/43/568644143.db2.gz WSSLPTABKIHBLQ-GFCCVEGCSA-N 0 3 417.884 4.457 50 0 HIAAHN CCOc1ccccc1NC(=O)NCc1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000020927240 568651568 /nfs/dbraw/zinc/65/15/68/568651568.db2.gz BQIFMKALOPBUNY-UHFFFAOYSA-N 0 3 410.543 4.247 50 0 HIAAHN CCN(CC(=O)N[C@H](C)c1cccs1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000225670393 568662489 /nfs/dbraw/zinc/66/24/89/568662489.db2.gz QKQJGCGHXVYPIF-IAGOWNOFSA-N 0 3 409.596 4.037 50 0 HIAAHN CC(C)[S@@](=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)cc1 ZINC000225758985 568671808 /nfs/dbraw/zinc/67/18/08/568671808.db2.gz MTFBKAWOTQJTNJ-PZGXJGMVSA-N 0 3 412.599 4.233 50 0 HIAAHN C[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)N1C[C@H](C)C[C@H](C)C1 ZINC000227156220 568699569 /nfs/dbraw/zinc/69/95/69/568699569.db2.gz TXXYCCYHVIPQLF-QLFBSQMISA-N 0 3 420.351 4.200 50 0 HIAAHN CCN(CCNc1ncnc2onc(-c3cc(F)cc(F)c3)c21)Cc1ccccc1 ZINC000021714753 568748903 /nfs/dbraw/zinc/74/89/03/568748903.db2.gz ICSYDKMFPDCCBD-UHFFFAOYSA-N 0 3 409.440 4.497 50 0 HIAAHN CCc1cccc(C)c1NC(=O)C1=C(C)C(=O)OC12CCN(Cc1ccccc1)CC2 ZINC000021868378 568756074 /nfs/dbraw/zinc/75/60/74/568756074.db2.gz UCWFSLCFGQIZAR-UHFFFAOYSA-N 0 3 418.537 4.404 50 0 HIAAHN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)NCCN2CCCCCC2)cc1 ZINC000002939949 568818954 /nfs/dbraw/zinc/81/89/54/568818954.db2.gz ICXDKQIWMNDUFS-UHFFFAOYSA-N 0 3 404.510 4.374 50 0 HIAAHN COc1ccc(-c2c(C)oc3cc(OC[C@@H](O)CN4CCCCC4)ccc3c2=O)cc1 ZINC000003227713 568864515 /nfs/dbraw/zinc/86/45/15/568864515.db2.gz SMGPONMGGHRGOD-IBGZPJMESA-N 0 3 423.509 4.003 50 0 HIAAHN CC(C)[C@@H](NCC(=O)Nc1ccccc1N1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000012594936 568868759 /nfs/dbraw/zinc/86/87/59/568868759.db2.gz HQSGBOQFUQLBNY-RUZDIDTESA-N 0 3 423.557 4.374 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)NCc3ccc(OC(C)C)cc3)cc2C)CC1 ZINC000057970226 568871023 /nfs/dbraw/zinc/87/10/23/568871023.db2.gz XGVUPQACTADSBC-UHFFFAOYSA-N 0 3 410.562 4.246 50 0 HIAAHN CSc1ccc2cc(CNC[C@H]3COc4ccccc4O3)c(=O)n(CC(C)C)c2c1 ZINC000299786045 568875453 /nfs/dbraw/zinc/87/54/53/568875453.db2.gz MQSQQQHFBYMWDE-IBGZPJMESA-N 0 3 424.566 4.309 50 0 HIAAHN COc1ccc(CN2CCC(NC(=O)C[C@@H](c3ccsc3)n3cccc3)CC2)cc1 ZINC000263588329 568883742 /nfs/dbraw/zinc/88/37/42/568883742.db2.gz RXDOJCHBLAFJJT-QHCPKHFHSA-N 0 3 423.582 4.319 50 0 HIAAHN COc1ccc([C@@H](CNC(=O)COc2ccc3oc4ccccc4c3c2)N(C)C)cc1 ZINC000012736358 568925474 /nfs/dbraw/zinc/92/54/74/568925474.db2.gz BTIHZNHRFAAPMH-JOCHJYFZSA-N 0 3 418.493 4.393 50 0 HIAAHN CCN(CC)[C@H](CNC(=O)/C=C/c1c(C)nc2sc(C)cn12)c1ccsc1 ZINC000058954576 568934615 /nfs/dbraw/zinc/93/46/15/568934615.db2.gz LDXMHBLERWMAHX-LKGOPFMKSA-N 0 3 402.589 4.287 50 0 HIAAHN C[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Br)c1 ZINC000084651615 568954780 /nfs/dbraw/zinc/95/47/80/568954780.db2.gz XFLCKTJQLLSWJB-UONOGXRCSA-N 0 3 411.365 4.111 50 0 HIAAHN CC1(C)Cc2c(C(N)=O)c(NC(=O)Cc3cccc4ccccc43)sc2C(C)(C)N1 ZINC000004275265 568962298 /nfs/dbraw/zinc/96/22/98/568962298.db2.gz ZMLOQRYVVGXINF-UHFFFAOYSA-N 0 3 421.566 4.341 50 0 HIAAHN CCOC(=O)c1ccc(NC(=O)N(Cc2cccs2)C2CCN(CC)CC2)cc1 ZINC000015679760 568966793 /nfs/dbraw/zinc/96/67/93/568966793.db2.gz JZVJQYPNFPKBFT-UHFFFAOYSA-N 0 3 415.559 4.443 50 0 HIAAHN COc1cccc([C@H](C)NC(=O)C2CCN(Cc3cn(C)c4ccccc34)CC2)c1 ZINC000064669603 569078828 /nfs/dbraw/zinc/07/88/28/569078828.db2.gz FDAMKRGSUBKNLP-SFHVURJKSA-N 0 3 405.542 4.276 50 0 HIAAHN COc1ccc(CN(CCC(C)C)C[C@@H](O)COCc2ccccc2)cc1OC ZINC000036096108 569089666 /nfs/dbraw/zinc/08/96/66/569089666.db2.gz TWRUNRIDYLVZSQ-JOCHJYFZSA-N 0 3 401.547 4.130 50 0 HIAAHN COc1cccc(CN(CCC(C)C)C[C@H](O)COCc2ccccc2)c1OC ZINC000036097275 569090222 /nfs/dbraw/zinc/09/02/22/569090222.db2.gz AWDYQYSRDZHKHL-QFIPXVFZSA-N 0 3 401.547 4.130 50 0 HIAAHN O=c1oc2c(ccc3c2CN(C2CCN(Cc4ccccc4)CC2)CO3)c2c1CCC2 ZINC000006760590 569113482 /nfs/dbraw/zinc/11/34/82/569113482.db2.gz OIJYLNNIQLTRFO-UHFFFAOYSA-N 0 3 416.521 4.098 50 0 HIAAHN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CCC(C)C)C[C@H](O)COC ZINC000036249760 569119221 /nfs/dbraw/zinc/11/92/21/569119221.db2.gz ANAKONFSWNVVDB-FQEVSTJZSA-N 0 3 421.557 4.182 50 0 HIAAHN COC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036301598 569128013 /nfs/dbraw/zinc/12/80/13/569128013.db2.gz XAUYJQZGQUGYLQ-HXUWFJFHSA-N 0 3 409.530 4.097 50 0 HIAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](C)O ZINC000036305906 569129690 /nfs/dbraw/zinc/12/96/90/569129690.db2.gz OXGGICMHJMKDEE-GOSISDBHSA-N 0 3 409.530 4.481 50 0 HIAAHN O=C(NCCN1CCCCCC1)c1cccc(-c2cnc(NC3CCCCC3)nc2)c1 ZINC000065025816 569156484 /nfs/dbraw/zinc/15/64/84/569156484.db2.gz VQVLJMIFOCLEDO-UHFFFAOYSA-N 0 3 421.589 4.494 50 0 HIAAHN COc1ccc(NC(=O)N2CCC[C@@H](CN3CCc4ccccc4C3)C2)cc1OC ZINC000006877386 569164243 /nfs/dbraw/zinc/16/42/43/569164243.db2.gz CMUHIQSDLUAMIZ-SFHVURJKSA-N 0 3 409.530 4.006 50 0 HIAAHN CCc1nc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2nc1CC ZINC000006917901 569181411 /nfs/dbraw/zinc/18/14/11/569181411.db2.gz YAOKWSMWJABBQK-UHFFFAOYSA-N 0 3 402.542 4.149 50 0 HIAAHN CCN(CCNC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12)Cc1ccccc1 ZINC000007001241 569198788 /nfs/dbraw/zinc/19/87/88/569198788.db2.gz BBTJHLCHRWJLDS-UHFFFAOYSA-N 0 3 420.557 4.301 50 0 HIAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1sc2nc(C)cc(C)c2c1N ZINC000036556783 569199178 /nfs/dbraw/zinc/19/91/78/569199178.db2.gz PIVDIKKSTPKCDY-AEFFLSMTSA-N 0 3 406.555 4.252 50 0 HIAAHN c1ccc2c(c1)c(-c1nc(C3CC3)no1)nnc2N1CCN(C2CCCCC2)CC1 ZINC000065258262 569210079 /nfs/dbraw/zinc/21/00/79/569210079.db2.gz SXECJBATYHMHPX-UHFFFAOYSA-N 0 3 404.518 4.012 50 0 HIAAHN CCN(CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccccc1 ZINC000007263643 569230794 /nfs/dbraw/zinc/23/07/94/569230794.db2.gz QCZJPPXKIDBUSR-QFIPXVFZSA-N 0 3 404.510 4.297 50 0 HIAAHN CCN(C)[C@H](C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000252478023 569288713 /nfs/dbraw/zinc/28/87/13/569288713.db2.gz ZZYPOMUWCLMTOD-COPCDDAFSA-N 0 3 417.956 4.281 50 0 HIAAHN COc1ccccc1N1CCN(C2CCN(Cc3cc4ccccc4o3)CC2)CC1 ZINC000252483094 569289209 /nfs/dbraw/zinc/28/92/09/569289209.db2.gz DUWJDKNQIFBGSR-UHFFFAOYSA-N 0 3 405.542 4.228 50 0 HIAAHN CC(C)N1CC[C@H](NCCS(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252515540 569292144 /nfs/dbraw/zinc/29/21/44/569292144.db2.gz LFSRMIGYHJCRRK-LEWJYISDSA-N 0 3 424.969 4.066 50 0 HIAAHN CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000002405598 569396037 /nfs/dbraw/zinc/39/60/37/569396037.db2.gz ZMMCDIKLSSWXRG-QFIPXVFZSA-N 0 3 420.509 4.079 50 0 HIAAHN CC(C)Oc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000002407616 569396370 /nfs/dbraw/zinc/39/63/70/569396370.db2.gz PWYRQABEYQWKPH-JOCHJYFZSA-N 0 3 420.509 4.077 50 0 HIAAHN CN(C)CCn1c(=O)c2ccccc2nc1SCc1cccc(C(F)(F)F)c1 ZINC000067258716 571057827 /nfs/dbraw/zinc/05/78/27/571057827.db2.gz QLYNYCLTRHQFSE-UHFFFAOYSA-N 0 3 407.461 4.269 50 0 HIAAHN Cc1ccc2nc(C)c(C(=O)NCCCCN3CCN(c4ccccc4)CC3)cc2c1 ZINC000040155913 571203181 /nfs/dbraw/zinc/20/31/81/571203181.db2.gz QYLIIOWLSVGPGU-UHFFFAOYSA-N 0 3 416.569 4.184 50 0 HIAAHN Cc1cc2sc(N3CCC[C@H](C(=O)NCCN4CCCC[C@H]4C)C3)nc2c(C)c1 ZINC000245276814 571222309 /nfs/dbraw/zinc/22/23/09/571222309.db2.gz WSCQJELSEOAECD-MOPGFXCFSA-N 0 3 414.619 4.120 50 0 HIAAHN CCN(CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1cccc(F)c1 ZINC000009328282 571248334 /nfs/dbraw/zinc/24/83/34/571248334.db2.gz HNBJRZWZNGITGH-JOCHJYFZSA-N 0 3 422.500 4.436 50 0 HIAAHN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3C23CCN(C)CC3)cc1 ZINC000020865022 571314825 /nfs/dbraw/zinc/31/48/25/571314825.db2.gz XVUYMYHGZSIKJU-UHFFFAOYSA-N 0 3 416.525 4.455 50 0 HIAAHN CCOC(=O)C1(Cc2ccccc2)CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000012302298 845867237 /nfs/dbraw/zinc/86/72/37/845867237.db2.gz OJIVNLDNODBATD-UHFFFAOYSA-N 0 3 403.526 4.465 50 0 HIAAHN CSCc1ccc(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3)o1 ZINC000015065593 846005215 /nfs/dbraw/zinc/00/52/15/846005215.db2.gz PKIOTSXPXJPKGN-JOCHJYFZSA-N 0 3 402.535 4.410 50 0 HIAAHN c1ccc(C(c2noc(CN3CCN(C4CCCC4)CC3)n2)c2ccccc2)cc1 ZINC000022851329 846628752 /nfs/dbraw/zinc/62/87/52/846628752.db2.gz HEXFZVANWOGHHI-UHFFFAOYSA-N 0 3 402.542 4.310 50 0 HIAAHN COc1cccc(CN2CCC(Cc3ccc(CCC(=O)N4CCCC4)cc3)CC2)n1 ZINC000575558997 948678755 /nfs/dbraw/zinc/67/87/55/948678755.db2.gz LDTGFGCULYELGV-UHFFFAOYSA-N 0 3 421.585 4.100 50 0 HIAAHN Cc1ccsc1CN1CCC(C(=O)N2CCN(c3cccc(C)c3C)CC2)CC1 ZINC000004562043 132278515 /nfs/dbraw/zinc/27/85/15/132278515.db2.gz DEOVHWKYXAFWOB-UHFFFAOYSA-N 0 3 411.615 4.234 50 0 HIAAHN COc1ccc(C[C@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1 ZINC000012383628 132359398 /nfs/dbraw/zinc/35/93/98/132359398.db2.gz FOKVRSQIASQCIA-INIZCTEOSA-N 0 3 408.464 4.476 50 0 HIAAHN CCOc1cc(CNC[C@H](C)O)cc(Br)c1OCc1cccc(C)c1 ZINC000040744048 520718963 /nfs/dbraw/zinc/71/89/63/520718963.db2.gz HCKDRNUZWRLBIP-HNNXBMFYSA-N 0 3 408.336 4.206 50 0 HIAAHN CCC(=O)Nc1nc2ccc(CC(=O)Nc3cccc(CN4CCCC4)c3)cc2s1 ZINC000032959695 521229332 /nfs/dbraw/zinc/22/93/32/521229332.db2.gz BZXXDLWHTCEGGQ-UHFFFAOYSA-N 0 3 422.554 4.422 50 0 HIAAHN COc1cc(CNCCCO)cc(Br)c1OCc1ccccc1Cl ZINC000040744857 522446919 /nfs/dbraw/zinc/44/69/19/522446919.db2.gz SXQZRASFRVGWDN-UHFFFAOYSA-N 0 3 414.727 4.162 50 0 HIAAHN COc1cc(CNCCCN2CCOCC2)cc(Cl)c1OCc1ccccc1C ZINC000040720578 522447296 /nfs/dbraw/zinc/44/72/96/522447296.db2.gz SLMGTMGPESKPPV-UHFFFAOYSA-N 0 3 418.965 4.048 50 0 HIAAHN CCn1c(=S)n(CN2CCN(CCC(C)C)CC2)nc1-c1ccc(Cl)cc1 ZINC000032935408 523113757 /nfs/dbraw/zinc/11/37/57/523113757.db2.gz NWODCNVQTXIBGJ-UHFFFAOYSA-N 0 3 408.015 4.376 50 0 HIAAHN Cc1noc(-c2ccc(C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)cc2)n1 ZINC000032908323 526450450 /nfs/dbraw/zinc/45/04/50/526450450.db2.gz ZNONBQSKNASGCV-LJQANCHMSA-N 0 3 410.543 4.310 50 0 HIAAHN OCCOCCNCc1c(OCc2ccc(F)cc2Cl)ccc2ccccc21 ZINC000040735556 527556481 /nfs/dbraw/zinc/55/64/81/527556481.db2.gz NLBIAVWMJNLXON-UHFFFAOYSA-N 0 3 403.881 4.310 50 0 HIAAHN O=C(CCN1CCCCC1)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000001165477 557220592 /nfs/dbraw/zinc/22/05/92/557220592.db2.gz CPRKRUOFGDCWSY-UHFFFAOYSA-N 0 3 415.331 4.495 50 0 HIAAHN Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004652270 557576086 /nfs/dbraw/zinc/57/60/86/557576086.db2.gz AJNAEIXAYOLDTI-UHFFFAOYSA-N 0 3 418.585 4.216 50 0 HIAAHN Cc1c(Cl)cccc1NC(=O)c1cccc(NC(=O)C2C3CC4OC(=O)C2C4C3)c1 ZINC000009525737 557844683 /nfs/dbraw/zinc/84/46/83/557844683.db2.gz IYSUPKOXGMSQDP-ZWIPKVPUSA-N 0 3 424.884 4.037 50 0 HIAAHN CCCCc1ncc(CN2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)[nH]1 ZINC000011820262 558283712 /nfs/dbraw/zinc/28/37/12/558283712.db2.gz VSJUAFBJEKRLFF-UHFFFAOYSA-N 0 3 400.542 4.200 50 0 HIAAHN CCc1ccc(NC(=O)CC2C(=O)N(Cc3ccco3)c3nc4ccccc4n32)cc1 ZINC000019817591 558287918 /nfs/dbraw/zinc/28/79/18/558287918.db2.gz LPUGMOVMGQZVNE-OAQYLSRUSA-N 0 3 414.465 4.308 50 0 HIAAHN O=C(NC1CCCC1)c1ccc(OC2CCN([C@H]3CCSC3)CC2)c(Cl)c1 ZINC000011873424 558291251 /nfs/dbraw/zinc/29/12/51/558291251.db2.gz FSFLHNGZBXNAIY-KRWDZBQOSA-N 0 3 408.995 4.361 50 0 HIAAHN Cc1cc(CN2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cc(C)c1O ZINC000012201698 558351470 /nfs/dbraw/zinc/35/14/70/558351470.db2.gz DHXIJRBOHRSJRC-FQEVSTJZSA-N 0 3 404.514 4.045 50 0 HIAAHN CC(C)(C)C(=O)Nc1ccnn1C1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000012304738 558373885 /nfs/dbraw/zinc/37/38/85/558373885.db2.gz SJDFIVHPKSCTGP-UHFFFAOYSA-N 0 3 406.534 4.095 50 0 HIAAHN COc1cc(CN2CCC(CCC(=O)Nc3cccc(C)c3)CC2)cc2c1OCO2 ZINC000012385658 558394454 /nfs/dbraw/zinc/39/44/54/558394454.db2.gz JRLJIAMCNBERFE-UHFFFAOYSA-N 0 3 410.514 4.363 50 0 HIAAHN COc1cccc(C(=O)[C@@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)c1 ZINC000012431632 558406250 /nfs/dbraw/zinc/40/62/50/558406250.db2.gz XADLRCJPKYMMSH-HSZRJFAPSA-N 0 3 406.570 4.297 50 0 HIAAHN CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000012439624 558411011 /nfs/dbraw/zinc/41/10/11/558411011.db2.gz OBJGSAJOZZMMJY-UHFFFAOYSA-N 0 3 420.532 4.038 50 0 HIAAHN CN(C[C@H]1CCCN1C)C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12 ZINC000012440291 558411454 /nfs/dbraw/zinc/41/14/54/558411454.db2.gz WIMOQNNYGHSPBT-OAHLLOKOSA-N 0 3 422.476 4.248 50 0 HIAAHN CCOc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874888 558418933 /nfs/dbraw/zinc/41/89/33/558418933.db2.gz CDGXHEZKMWFYRX-UHFFFAOYSA-N 0 3 418.965 4.048 50 0 HIAAHN CCCOc1c(Br)cc(CNC[C@H]2CCCO2)cc1Br ZINC000020926763 558423652 /nfs/dbraw/zinc/42/36/52/558423652.db2.gz ARKIFDIGLPQKBS-GFCCVEGCSA-N 0 3 407.146 4.269 50 0 HIAAHN CC(=O)NC[C@@H]1CCCN(Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000012571599 558429439 /nfs/dbraw/zinc/42/94/39/558429439.db2.gz NDLFSCBWJCBHOS-FQEVSTJZSA-N 0 3 420.532 4.335 50 0 HIAAHN CN(C(=O)c1cccc(-n2cccn2)c1)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000012583897 558433477 /nfs/dbraw/zinc/43/34/77/558433477.db2.gz VKGLAEALONKRBP-DEOSSOPVSA-N 0 3 402.542 4.042 50 0 HIAAHN CSc1ccc(CNC(=O)c2ccc(SCCN3CCCCC3)nc2)cc1 ZINC000021663507 558445232 /nfs/dbraw/zinc/44/52/32/558445232.db2.gz DKGWQEPOSCWAEC-UHFFFAOYSA-N 0 3 401.601 4.312 50 0 HIAAHN O=C(CCc1ncc(-c2ccccc2F)o1)NC1CCN(Cc2ccccc2)CC1 ZINC000022315173 558477618 /nfs/dbraw/zinc/47/76/18/558477618.db2.gz UGEGKMLCKOIXLE-UHFFFAOYSA-N 0 3 407.489 4.194 50 0 HIAAHN CCN(CCn1cccn1)Cc1cn(-c2ccccc2)nc1-c1cccc(OC)c1 ZINC000012835794 558478176 /nfs/dbraw/zinc/47/81/76/558478176.db2.gz PCYBUHGGQQAPMS-UHFFFAOYSA-N 0 3 401.514 4.267 50 0 HIAAHN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000013069466 558511047 /nfs/dbraw/zinc/51/10/47/558511047.db2.gz LFCMDTGUBDFYED-KURKYZTESA-N 0 3 409.530 4.252 50 0 HIAAHN CN(C[C@@H](O)COCc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000023238132 558544913 /nfs/dbraw/zinc/54/49/13/558544913.db2.gz IDPPVBCRAKJMDN-RDGATRHJSA-N 0 3 423.484 4.153 50 0 HIAAHN O=C(c1nc2sccn2c1CN1CC[C@H](C2CCCCC2)C1)N1CCCCC1 ZINC000023338315 558549977 /nfs/dbraw/zinc/54/99/77/558549977.db2.gz ARWCCCZXYDWAAA-SFHVURJKSA-N 0 3 400.592 4.424 50 0 HIAAHN O=C(c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21)N1CCN2CCC[C@@H]2C1 ZINC000013641675 558555773 /nfs/dbraw/zinc/55/57/73/558555773.db2.gz RZMWZGIFTOTZFF-QGZVFWFLSA-N 0 3 414.465 4.070 50 0 HIAAHN COc1cc(CNCCCN2CCCC2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000013727653 558585227 /nfs/dbraw/zinc/58/52/27/558585227.db2.gz PEHSKYSEUYKKDG-UHFFFAOYSA-N 0 3 420.912 4.169 50 0 HIAAHN COc1ccc(CNCc2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 ZINC000013731475 558586823 /nfs/dbraw/zinc/58/68/23/558586823.db2.gz BVRXWKCVHOITSR-UHFFFAOYSA-N 0 3 420.509 4.320 50 0 HIAAHN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NC[C@H](c1cccs1)N1CCCC1 ZINC000024989371 558625651 /nfs/dbraw/zinc/62/56/51/558625651.db2.gz BBTLERZNXNYITM-QGZVFWFLSA-N 0 3 420.962 4.059 50 0 HIAAHN C[C@H](NCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccs1 ZINC000014242562 558645142 /nfs/dbraw/zinc/64/51/42/558645142.db2.gz AEPLNOSEDSRMRQ-FQEVSTJZSA-N 0 3 419.594 4.333 50 0 HIAAHN CC(=O)NC[C@@H]1CCC2(CCN(Cc3ccc(-c4ccccc4Cl)o3)CC2)O1 ZINC000014879701 558675637 /nfs/dbraw/zinc/67/56/37/558675637.db2.gz XQHOMTPEOHYFQB-KRWDZBQOSA-N 0 3 402.922 4.250 50 0 HIAAHN COc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)N2CCCCCC2)cc1 ZINC000027583169 558676161 /nfs/dbraw/zinc/67/61/61/558676161.db2.gz ARFKOGYYBXTZNN-XMMPIXPASA-N 0 3 410.558 4.424 50 0 HIAAHN CNc1cc(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccc(C(C)C)cc2)C3)ccn1 ZINC000014959741 558683556 /nfs/dbraw/zinc/68/35/56/558683556.db2.gz VKBDDVIWDUNUGM-RUZDIDTESA-N 0 3 406.574 4.375 50 0 HIAAHN CN(C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1cc(C2CC2)on1 ZINC000014976919 558689409 /nfs/dbraw/zinc/68/94/09/558689409.db2.gz AMPLBBKCGGULFK-QGZVFWFLSA-N 0 3 401.938 4.232 50 0 HIAAHN COc1ccc(CN2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)cc1 ZINC000014988298 558693343 /nfs/dbraw/zinc/69/33/43/558693343.db2.gz DZPXESDLXTXDPR-FQEVSTJZSA-N 0 3 408.571 4.496 50 0 HIAAHN O=C(Cc1csc(-c2ccccc2)n1)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000015063461 558706183 /nfs/dbraw/zinc/70/61/83/558706183.db2.gz ASKPMQJPZPRQJD-OAQYLSRUSA-N 0 3 405.567 4.176 50 0 HIAAHN CCN(CC)[C@@H](CNC(=O)Nc1cccc(N2CCCCC2=O)c1)c1ccsc1 ZINC000072281253 558706974 /nfs/dbraw/zinc/70/69/74/558706974.db2.gz QUKXTKXIQWPJEJ-FQEVSTJZSA-N 0 3 414.575 4.470 50 0 HIAAHN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3cnc(N(C)C)s3)C2)c(C)c1 ZINC000015068032 558710578 /nfs/dbraw/zinc/71/05/78/558710578.db2.gz QFHZQBJTRJMALG-KRWDZBQOSA-N 0 3 416.591 4.157 50 0 HIAAHN C[C@H](CN1C(=O)CC[C@@H]1CCNCc1cc2c(cc1Cl)OCO2)c1ccccc1 ZINC000015070480 558712255 /nfs/dbraw/zinc/71/22/55/558712255.db2.gz SNLCVLMNGCGOKF-VQIMIIECSA-N 0 3 414.933 4.343 50 0 HIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2c(s1)c1ccccc1oc2=O ZINC000004563711 558733208 /nfs/dbraw/zinc/73/32/08/558733208.db2.gz JTXCPZWMFSTOIO-UHFFFAOYSA-N 0 3 418.518 4.402 50 0 HIAAHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C1CC(=O)Nc1ccc(C)cc1C ZINC000001212189 558776031 /nfs/dbraw/zinc/77/60/31/558776031.db2.gz HHINIYFGRMYLSL-IBGZPJMESA-N 0 3 406.482 4.132 50 0 HIAAHN CC(=O)C1(c2ccccc2)CCN(Cc2ccc(C(=O)NCc3ccco3)cc2)CC1 ZINC000034684940 558782988 /nfs/dbraw/zinc/78/29/88/558782988.db2.gz RESOZEVPCFUEHT-UHFFFAOYSA-N 0 3 416.521 4.332 50 0 HIAAHN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000016599168 558796448 /nfs/dbraw/zinc/79/64/48/558796448.db2.gz GMASGCQFOIDOBS-SFHVURJKSA-N 0 3 400.885 4.006 50 0 HIAAHN CC[C@@H](C)N(CCCNC(=O)c1noc2c1COc1ccccc1-2)Cc1ccco1 ZINC000033028855 558852551 /nfs/dbraw/zinc/85/25/51/558852551.db2.gz PXFXVRFYQVVXDW-MRXNPFEDSA-N 0 3 409.486 4.248 50 0 HIAAHN O=C(NCc1ccncc1)c1ccc(OC2CCN(Cc3cccs3)CC2)cc1 ZINC000055359709 558880219 /nfs/dbraw/zinc/88/02/19/558880219.db2.gz SZBDNPZHSGAYDJ-UHFFFAOYSA-N 0 3 407.539 4.117 50 0 HIAAHN Cc1cc(=O)oc2cc(NC(=O)NC[C@H]3CCCN(Cc4ccccc4)C3)ccc12 ZINC000058174600 558908923 /nfs/dbraw/zinc/90/89/23/558908923.db2.gz VTOMCFAXSOSBDN-LJQANCHMSA-N 0 3 405.498 4.135 50 0 HIAAHN O=C(CSc1nc2ccccc2o1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004720724 558923889 /nfs/dbraw/zinc/92/38/89/558923889.db2.gz FRFVQFLWMAKIGV-UHFFFAOYSA-N 0 3 411.571 4.033 50 0 HIAAHN CC(C)Nc1ncc(CN2CC[C@H](c3ccnc(-c4ccc5c(c4)OCO5)c3)C2)cn1 ZINC000065463322 558978001 /nfs/dbraw/zinc/97/80/01/558978001.db2.gz FMMCAVCXCCTFFK-FQEVSTJZSA-N 0 3 417.513 4.077 50 0 HIAAHN Cc1cccc(-c2nc3cc4c(cc3cc2CN2CCC[C@](O)(CO)C2)CCC4)c1 ZINC000072433848 558979732 /nfs/dbraw/zinc/97/97/32/558979732.db2.gz DDTLDTHHJNJSFJ-AREMUKBSSA-N 0 3 402.538 4.018 50 0 HIAAHN Cc1cccc(-c2nc3cc4c(cc3cc2CN2CCC(O)(CO)CC2)CCC4)c1 ZINC000072434634 558980090 /nfs/dbraw/zinc/98/00/90/558980090.db2.gz IALLJRFGSKNDBC-UHFFFAOYSA-N 0 3 402.538 4.018 50 0 HIAAHN c1[nH]c2ccccc2c1CCNC1(c2nnnn2C2CCCCC2)CCSCC1 ZINC000033337957 559063590 /nfs/dbraw/zinc/06/35/90/559063590.db2.gz NFTIAZMXUYLCHA-UHFFFAOYSA-N 0 3 410.591 4.214 50 0 HIAAHN CCCN1CCc2nc[nH]c2C12CCN(Cc1ccc([C@@H]3CCCO3)s1)CC2 ZINC000096138603 559095599 /nfs/dbraw/zinc/09/55/99/559095599.db2.gz HYRBCSJNZZGKJW-IBGZPJMESA-N 0 3 400.592 4.082 50 0 HIAAHN Cc1ccc2oc(=O)c3cc(C(=O)NCCN(C)Cc4ccccc4)sc3c2c1 ZINC000004939574 559212195 /nfs/dbraw/zinc/21/21/95/559212195.db2.gz KDVSBBJTMMOLAM-UHFFFAOYSA-N 0 3 406.507 4.178 50 0 HIAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)c2ccccc2Cl)CC1 ZINC000011945723 559269056 /nfs/dbraw/zinc/26/90/56/559269056.db2.gz QHFRVZJTVYEZOU-UHFFFAOYSA-N 0 3 400.950 4.375 50 0 HIAAHN CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccc(Br)c3)=NN12 ZINC000005163954 559275669 /nfs/dbraw/zinc/27/56/69/559275669.db2.gz MKCWVJYUQKXREE-IBGZPJMESA-N 0 3 412.331 4.415 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000139082021 559288353 /nfs/dbraw/zinc/28/83/53/559288353.db2.gz KLLBZQNNBYKXME-PCCBWWKXSA-N 0 3 404.853 4.391 50 0 HIAAHN Cc1ccc2nc(N(Cc3ccccn3)C(=O)C3COc4ccccc4O3)sc2c1 ZINC000005265058 560553386 /nfs/dbraw/zinc/55/33/86/560553386.db2.gz LOZZENKMQCTGMH-HXUWFJFHSA-N 0 3 417.490 4.373 50 0 HIAAHN CCN(CC)CCn1cnc2c(c1=N)[C@H](c1ccc(C)cc1)c1ccc(O)cc1O2 ZINC000005345858 560570122 /nfs/dbraw/zinc/57/01/22/560570122.db2.gz CDTUJNOHEAJHKQ-OAQYLSRUSA-N 0 3 404.514 4.004 50 0 HIAAHN COc1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)N[C@@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000005482738 560596233 /nfs/dbraw/zinc/59/62/33/560596233.db2.gz CLFJDEZIXUJXCH-HCYUJWNOSA-N 0 3 421.541 4.122 50 0 HIAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)c1 ZINC000102663062 560819344 /nfs/dbraw/zinc/81/93/44/560819344.db2.gz FCFTXJGUUHNPLC-YPAWHYETSA-N 0 3 402.425 4.185 50 0 HIAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C1=O ZINC000102729729 560822240 /nfs/dbraw/zinc/82/22/40/560822240.db2.gz FVYSIYMSOZLWHG-YPAWHYETSA-N 0 3 402.425 4.185 50 0 HIAAHN COc1c(Br)cc(CNC[C@H](O)c2ccccc2)cc1Br ZINC000020927322 568460587 /nfs/dbraw/zinc/46/05/87/568460587.db2.gz VSDUSQUKAGGDKP-HNNXBMFYSA-N 0 3 415.125 4.043 50 0 HIAAHN COc1ccc(NC(=O)N2CCC[C@H](CN3CCc4ccccc4C3)C2)cc1OC ZINC000006877385 568462889 /nfs/dbraw/zinc/46/28/89/568462889.db2.gz CMUHIQSDLUAMIZ-GOSISDBHSA-N 0 3 409.530 4.006 50 0 HIAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C5CCCCC5)CC4)[C@H]3C=C12 ZINC000020612291 568637448 /nfs/dbraw/zinc/63/74/48/568637448.db2.gz RGHKEJPNSWYLEW-OUDZHVFCSA-N 0 3 400.607 4.251 50 0 HIAAHN CCCN(CCC)CC(=O)Nc1ccc(CC(=O)N[C@H](C)Cc2ccccc2)cc1 ZINC000095851921 568653906 /nfs/dbraw/zinc/65/39/06/568653906.db2.gz VAUCCFCCCXZMCX-HXUWFJFHSA-N 0 3 409.574 4.037 50 0 HIAAHN Cc1cc(O)c([C@@H](c2cccc(F)c2)N2CCC(C)CC2)c(=O)n1Cc1ccco1 ZINC000021098230 568665923 /nfs/dbraw/zinc/66/59/23/568665923.db2.gz RLSVKWBWUSRTCQ-HSZRJFAPSA-N 0 3 410.489 4.464 50 0 aggregator HIAAHN C[C@@H]1CN(Cc2ccccc2CNCc2cc(Br)cs2)C[C@H](C)O1 ZINC000095951439 568667704 /nfs/dbraw/zinc/66/77/04/568667704.db2.gz OKBCEXKKDKQCEQ-GASCZTMLSA-N 0 3 409.393 4.410 50 0 HIAAHN O=C(Nc1cnccc1N1CCOCC1)c1csc(-c2cccc3ccccc32)n1 ZINC000096011098 568683894 /nfs/dbraw/zinc/68/38/94/568683894.db2.gz DJLILDSHHRJKSM-UHFFFAOYSA-N 0 3 416.506 4.447 50 0 HIAAHN O=C([N-]c1c[nH+]ccc1N1CCOCC1)c1csc(-c2cccc3ccccc32)n1 ZINC000096011098 568683895 /nfs/dbraw/zinc/68/38/95/568683895.db2.gz DJLILDSHHRJKSM-UHFFFAOYSA-N 0 3 416.506 4.447 50 0 HIAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@@H]3C2=O)c1 ZINC000229970420 568716420 /nfs/dbraw/zinc/71/64/20/568716420.db2.gz PJHSNMLQMDNNBY-YTFSRNRJSA-N 0 3 414.461 4.055 50 0 HIAAHN O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3cccs3)[C@H]2C(=O)N1c1ccccc1 ZINC000238899718 568727220 /nfs/dbraw/zinc/72/72/20/568727220.db2.gz HBUUSADWLVKENE-GUDVDZBRSA-N 0 3 410.882 4.453 50 0 HIAAHN O=C(CCc1conc1-c1ccccc1F)NC1CCN(Cc2ccccc2)CC1 ZINC000096386706 568743374 /nfs/dbraw/zinc/74/33/74/568743374.db2.gz RCRTZEHNCZSEGE-UHFFFAOYSA-N 0 3 407.489 4.194 50 0 HIAAHN COc1cccc(-c2noc3ncnc(NC4CCN(Cc5ccccc5)CC4)c32)c1 ZINC000021714943 568749116 /nfs/dbraw/zinc/74/91/16/568749116.db2.gz SJOJYYIAKGLBKN-UHFFFAOYSA-N 0 3 415.497 4.370 50 0 HIAAHN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000055757505 568783114 /nfs/dbraw/zinc/78/31/14/568783114.db2.gz CFBVYNNDKVJNOH-QLFBSQMISA-N 0 3 406.933 4.069 50 0 HIAAHN CCN1CCC[C@@H]1CNCc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000261492002 568820402 /nfs/dbraw/zinc/82/04/02/568820402.db2.gz PAGHGLYUUOVXKT-HXUWFJFHSA-N 0 3 409.965 4.221 50 0 HIAAHN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@H](C)c1cccc2ccccc21 ZINC000057380648 568830394 /nfs/dbraw/zinc/83/03/94/568830394.db2.gz RBLGVXLVTTYAOD-RTBURBONSA-N 0 3 403.526 4.251 50 0 HIAAHN O=C(NCCN1CCCCCC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003064033 568853264 /nfs/dbraw/zinc/85/32/64/568853264.db2.gz TUYMTXTZAYKKPJ-JWGURIENSA-N 0 3 421.566 4.378 50 0 HIAAHN CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000003336502 568882839 /nfs/dbraw/zinc/88/28/39/568882839.db2.gz PSNJGFLDOSHKPU-GOTSBHOMSA-N 0 3 423.601 4.158 50 0 HIAAHN COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3ccc4nonc4c3)C2)c(C)c1 ZINC000012760200 568944111 /nfs/dbraw/zinc/94/41/11/568944111.db2.gz GDRQHPCBMUDHEG-QGZVFWFLSA-N 0 3 408.502 4.171 50 0 HIAAHN CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC(C)(C)NC2(C)C ZINC000004281240 568958940 /nfs/dbraw/zinc/95/89/40/568958940.db2.gz VOZLLSCGNNOJSI-UHFFFAOYSA-N 0 3 400.544 4.265 50 0 HIAAHN O=C(NCc1cccnc1)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000006080097 568993982 /nfs/dbraw/zinc/99/39/82/568993982.db2.gz BADRABHULZEVBH-UHFFFAOYSA-N 0 3 415.537 4.189 50 0 HIAAHN CCOc1c(Br)cc(CN[C@H](C)[C@H]2CCCO2)cc1Br ZINC000035273771 569016789 /nfs/dbraw/zinc/01/67/89/569016789.db2.gz OUWLEZKNMITPMX-QMTHXVAHSA-N 0 3 407.146 4.267 50 0 HIAAHN COc1ccc(OCCN[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000016047198 569028328 /nfs/dbraw/zinc/02/83/28/569028328.db2.gz BPLIUYUPSGGOIT-KBPBESRZSA-N 0 3 411.329 4.236 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000226985221 569039975 /nfs/dbraw/zinc/03/99/75/569039975.db2.gz GUSRRSRXMWIWQD-KMDXXIMOSA-N 0 3 421.456 4.286 50 0 HIAAHN COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCCC(C)=C5C[C@@H]34)CC2)c1 ZINC000245310111 569055642 /nfs/dbraw/zinc/05/56/42/569055642.db2.gz HWHLLITUISOPCT-HEJCWENXSA-N 0 3 424.585 4.276 50 0 HIAAHN COc1ccc(OC[C@H](O)CN(CCC(C)C)Cc2cccc(OC)c2OC)cc1 ZINC000036097300 569090342 /nfs/dbraw/zinc/09/03/42/569090342.db2.gz XHOCIZKGRUWAFJ-HXUWFJFHSA-N 0 3 417.546 4.000 50 0 HIAAHN COc1ccc(CN(Cc2ccc(F)cc2)C[C@H](O)COCc2ccccc2)cc1 ZINC000036102356 569091854 /nfs/dbraw/zinc/09/18/54/569091854.db2.gz OUBRMTJJTLZPGZ-DEOSSOPVSA-N 0 3 409.501 4.414 50 0 HIAAHN CCn1cc([C@H](CC(=O)NCCN2CCCC2)c2cccc(OC)c2)c2ccccc21 ZINC000006712311 569097285 /nfs/dbraw/zinc/09/72/85/569097285.db2.gz YWNQUHORTAUEOK-HSZRJFAPSA-N 0 3 419.569 4.404 50 0 HIAAHN COc1cccc(Oc2c(CN(C[C@@H](C)O)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305651 569129551 /nfs/dbraw/zinc/12/95/51/569129551.db2.gz QLRHOYXNQGYHRS-GOSISDBHSA-N 0 3 421.541 4.481 50 0 HIAAHN CN(C[C@H](O)COCc1ccc2c(c1)OCO2)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000036430614 569182240 /nfs/dbraw/zinc/18/22/40/569182240.db2.gz IDPPVBCRAKJMDN-WIOPSUGQSA-N 0 3 423.484 4.153 50 0 HIAAHN COCCn1c2ncccc2nc1[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000065285376 569216782 /nfs/dbraw/zinc/21/67/82/569216782.db2.gz IULISINVXLJUSK-MRXNPFEDSA-N 0 3 404.436 4.086 50 0 HIAAHN CCN(CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000007263603 569230823 /nfs/dbraw/zinc/23/08/23/569230823.db2.gz KQSWZAPADZILSV-JOCHJYFZSA-N 0 3 422.500 4.436 50 0 HIAAHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)COc1ccc(C)cc1C ZINC000089614254 569261296 /nfs/dbraw/zinc/26/12/96/569261296.db2.gz JXTFXJWWCNBFAI-QFIPXVFZSA-N 0 3 418.541 4.273 50 0 HIAAHN Cc1cc2c(cc(C(=O)NCCN3CCCC3)n2Cc2ccc(F)cc2F)s1 ZINC000037588079 569308089 /nfs/dbraw/zinc/30/80/89/569308089.db2.gz SYVHADCATXJGIL-UHFFFAOYSA-N 0 3 403.498 4.163 50 0 HIAAHN CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000002439199 569400166 /nfs/dbraw/zinc/40/01/66/569400166.db2.gz PMQUKWIZDCXPJU-FQEVSTJZSA-N 0 3 410.901 4.333 50 0 HIAAHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000078957092 569422169 /nfs/dbraw/zinc/42/21/69/569422169.db2.gz SDLCISJRRDQBBD-OAHLLOKOSA-N 0 3 421.335 4.225 50 0 HIAAHN O[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1CCc2ccccc2C1 ZINC000008693810 571102273 /nfs/dbraw/zinc/10/22/73/571102273.db2.gz CYHBKMMUFASPIH-XMMPIXPASA-N 0 3 409.476 4.490 50 0 HIAAHN CC(C(=O)NC[C@@H](C)c1ccccc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000040121867 571177814 /nfs/dbraw/zinc/17/78/14/571177814.db2.gz NKATZLRQYCMKDP-ZIAGYGMSSA-N 0 3 414.354 4.217 50 0 HIAAHN O=C(NCC1CCN(c2ccncc2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000070928963 571282122 /nfs/dbraw/zinc/28/21/22/571282122.db2.gz MEHZXPNIOKBART-UHFFFAOYSA-N 0 3 400.526 4.387 50 0 HIAAHN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N2CCCC2)c(C)c1 ZINC000010334226 571300739 /nfs/dbraw/zinc/30/07/39/571300739.db2.gz SYDPWXZXTXBHDI-DEOSSOPVSA-N 0 3 415.537 4.348 50 0 HIAAHN Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N2CCCC2)cc1C ZINC000010334220 571300751 /nfs/dbraw/zinc/30/07/51/571300751.db2.gz JWWHIOPOWYCWKQ-XMMPIXPASA-N 0 3 415.537 4.348 50 0 HIAAHN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)c(C)c1 ZINC000011774278 845832585 /nfs/dbraw/zinc/83/25/85/845832585.db2.gz UTRJUOTZEVEMOT-IBGZPJMESA-N 0 3 424.541 4.406 50 0 HIAAHN COC(=O)Cn1cc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)c2ccccc21 ZINC000011821657 845837163 /nfs/dbraw/zinc/83/71/63/845837163.db2.gz KRNDTKLLWBQSEM-MRXNPFEDSA-N 0 3 420.488 4.298 50 0 HIAAHN COc1cccc([C@H]2CCCN2Cc2cn(C)nc2-c2ccc3c(c2)OCCO3)c1 ZINC000011879905 845839345 /nfs/dbraw/zinc/83/93/45/845839345.db2.gz IEKSRBAXETWDOO-OAQYLSRUSA-N 0 3 405.498 4.204 50 0 HIAAHN CCc1ccc(CN2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)o1 ZINC000012372939 845867999 /nfs/dbraw/zinc/86/79/99/845867999.db2.gz KEHJSHMVZBMKNB-UHFFFAOYSA-N 0 3 406.530 4.495 50 0 HIAAHN CCOc1c(Cl)cc(/C=C/C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000012798775 845890587 /nfs/dbraw/zinc/89/05/87/845890587.db2.gz MSDHGZNDKRMDJW-YXBWYFRISA-N 0 3 414.933 4.151 50 0 HIAAHN O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCCN(Cc2ccc3nonc3c2)C1 ZINC000015065141 846005497 /nfs/dbraw/zinc/00/54/97/846005497.db2.gz MQSDNDHMYKOEQT-GOSISDBHSA-N 0 3 402.454 4.334 50 0 HIAAHN Cc1oc(-c2cccc(C)c2)nc1CN1CC[C@H](c2nc(-c3cccn3C)no2)C1 ZINC000575551717 948676776 /nfs/dbraw/zinc/67/67/76/948676776.db2.gz FTLLJAMCYMPCKA-SFHVURJKSA-N 0 3 403.486 4.336 50 0 HIAAHN Brc1ccccc1CN1CCC(N2CCN(c3ccccc3)CC2)CC1 ZINC000001164697 532971819 /nfs/dbraw/zinc/97/18/19/532971819.db2.gz RZXOTAMXYGDJSH-UHFFFAOYSA-N 0 3 414.391 4.236 50 0 HIAAHN Brc1ccc(CN2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000004712112 132285248 /nfs/dbraw/zinc/28/52/48/132285248.db2.gz WTYAJUGQZOHVPG-UHFFFAOYSA-N 0 3 414.391 4.236 50 0 HIAAHN COc1ccc(C[C@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000004981245 132297653 /nfs/dbraw/zinc/29/76/53/132297653.db2.gz SBLKUDGIULXZDL-INIZCTEOSA-N 0 3 408.464 4.476 50 0 HIAAHN CCOc1cc(CNC[C@H](C)O)cc(Br)c1OCc1ccccc1C ZINC000040744050 520719899 /nfs/dbraw/zinc/71/98/99/520719899.db2.gz WHLRZTGENZGHGZ-HNNXBMFYSA-N 0 3 408.336 4.206 50 0 HIAAHN CCN1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccc4c(c3)CCC4)c(C)c2)CC1 ZINC000032772078 521699270 /nfs/dbraw/zinc/69/92/70/521699270.db2.gz KHLDJELZUUSFCO-IBGZPJMESA-N 0 3 406.574 4.065 50 0 HIAAHN COc1cc(CNCCCCO)cc(Br)c1OCc1ccc(C)cc1 ZINC000040744151 522447390 /nfs/dbraw/zinc/44/73/90/522447390.db2.gz DUAYYTFGSGXRAR-UHFFFAOYSA-N 0 3 408.336 4.207 50 0 HIAAHN COc1cc(CNC[C@@H](c2cccs2)N2CCC(C)CC2)cc2c1OCCO2 ZINC000025361793 522459903 /nfs/dbraw/zinc/45/99/03/522459903.db2.gz FTOZAZFPDIGTIZ-SFHVURJKSA-N 0 3 402.560 4.091 50 0 HIAAHN CN(CCCNC(=O)c1nccnc1-c1nc2ccccc2s1)Cc1ccccc1 ZINC000032902652 522770415 /nfs/dbraw/zinc/77/04/15/522770415.db2.gz HEYVFKYNSXYNMF-UHFFFAOYSA-N 0 3 417.538 4.005 50 0 HIAAHN COc1ccc(CNC(=O)NCC2CCN(Cc3ccccc3SC)CC2)cc1 ZINC000043991725 524059327 /nfs/dbraw/zinc/05/93/27/524059327.db2.gz RQFMYKBUDUOMMS-UHFFFAOYSA-N 0 3 413.587 4.129 50 0 HIAAHN COc1ccc(CNC[C@@H](c2ccccc2OC)N2CCCC2)cc1Br ZINC000025361547 524071762 /nfs/dbraw/zinc/07/17/62/524071762.db2.gz NIMKXOGZDYALOX-IBGZPJMESA-N 0 3 419.363 4.393 50 0 HIAAHN COc1ccccc1[C@H](CNCc1c(C)nn(-c2ccccc2)c1C)N1CCCC1 ZINC000032740420 524793893 /nfs/dbraw/zinc/79/38/93/524793893.db2.gz MPRVLMPRXMURMB-DEOSSOPVSA-N 0 3 404.558 4.424 50 0 HIAAHN Cc1ccc(NC(=O)COc2ccc(Cl)cc2CNC[C@H](O)c2ccccc2)cc1 ZINC000040743603 525067718 /nfs/dbraw/zinc/06/77/18/525067718.db2.gz CMEKTGPWQVUWKO-QFIPXVFZSA-N 0 3 424.928 4.489 50 0 HIAAHN Cc1ccccc1CN1CCC(NC(=O)NCc2ccc(OC(F)F)cc2)CC1 ZINC000043726147 525136739 /nfs/dbraw/zinc/13/67/39/525136739.db2.gz MCDGQTVJIRQSIY-UHFFFAOYSA-N 0 3 403.473 4.060 50 0 HIAAHN COc1ccc([C@H](CNCc2ccc(OC)c(Br)c2)N2CCCC2)cc1 ZINC000025357961 525361889 /nfs/dbraw/zinc/36/18/89/525361889.db2.gz OJNFZHHASJBBPG-FQEVSTJZSA-N 0 3 419.363 4.393 50 0 HIAAHN O=C(Cc1csc(-c2ccccc2F)n1)NC1CCN(Cc2ccccc2)CC1 ZINC000032102474 527333828 /nfs/dbraw/zinc/33/38/28/527333828.db2.gz DDRCVWJLHFINLB-UHFFFAOYSA-N 0 3 409.530 4.273 50 0 HIAAHN O=C(NCCCN1CCc2ccccc2C1)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953151 527674293 /nfs/dbraw/zinc/67/42/93/527674293.db2.gz YQIHCCIGGWWZMM-UHFFFAOYSA-N 0 3 422.532 4.475 50 0 HIAAHN COCCN(C)Cc1ccc2nc3sc(C(=O)N(C)C4CCCCC4)cn3c2c1 ZINC000001549457 557271803 /nfs/dbraw/zinc/27/18/03/557271803.db2.gz AQINBUDFKZIGCN-UHFFFAOYSA-N 0 3 414.575 4.032 50 0 in-vitro HIAAHN CC[C@@H](CO)NCc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000008326268 557782001 /nfs/dbraw/zinc/78/20/01/557782001.db2.gz YLSSNPLSWDRDOH-INIZCTEOSA-N 0 3 412.299 4.036 50 0 HIAAHN CSc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc(OCCN(C)C)cc3)C2)cc1 ZINC000019720669 558258977 /nfs/dbraw/zinc/25/89/77/558258977.db2.gz XPCDCSADDXHTLW-OAQYLSRUSA-N 0 3 412.599 4.444 50 0 HIAAHN CCn1nc(C)c(CN2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)c1C ZINC000011754153 558272797 /nfs/dbraw/zinc/27/27/97/558272797.db2.gz TYUREOWLMOUIQD-UHFFFAOYSA-N 0 3 409.496 4.356 50 0 HIAAHN O=C(NC[C@H]1CCC2(CCN(Cc3ccc(Cl)cc3)CC2)O1)c1cccc(F)c1 ZINC000011788226 558276719 /nfs/dbraw/zinc/27/67/19/558276719.db2.gz UTPVINSVUHNUEY-OAQYLSRUSA-N 0 3 416.924 4.423 50 0 HIAAHN COc1ccc(C(=O)NC2CC2)c(OC2CCN(CCCc3ccccc3)CC2)c1 ZINC000011815665 558279326 /nfs/dbraw/zinc/27/93/26/558279326.db2.gz QGSLJNRMOWOMJV-UHFFFAOYSA-N 0 3 408.542 4.063 50 0 HIAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CN[C@H](C)Cc1ncccc1C ZINC000019771160 558279747 /nfs/dbraw/zinc/27/97/47/558279747.db2.gz HZWYOSGQDNTGQJ-HXUWFJFHSA-N 0 3 419.573 4.083 50 0 HIAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)Cc2ccccn2)CC1 ZINC000011818087 558281209 /nfs/dbraw/zinc/28/12/09/558281209.db2.gz ZYJDQBAWINTQNT-UHFFFAOYSA-N 0 3 409.574 4.030 50 0 HIAAHN Cc1ccc(C[C@H](C)N2CCC(Oc3cccc(C(=O)N4CCCC4)c3)CC2)nc1 ZINC000011820585 558283956 /nfs/dbraw/zinc/28/39/56/558283956.db2.gz WIWNODXGXWYMTG-FQEVSTJZSA-N 0 3 407.558 4.100 50 0 HIAAHN COc1ccc(NC(=O)CC2C(=O)N(C3CCCCC3)c3nc4ccccc4n32)cc1 ZINC000019817413 558287935 /nfs/dbraw/zinc/28/79/35/558287935.db2.gz QPTLYHQDVOCJHM-NRFANRHFSA-N 0 3 418.497 4.294 50 0 HIAAHN CC(C)=CCN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000011910851 558296593 /nfs/dbraw/zinc/29/65/93/558296593.db2.gz LVHPXAHTECTCIK-JOCHJYFZSA-N 0 3 423.605 4.236 50 0 HIAAHN CN(C(=O)c1ccc(-c2ncc[nH]2)s1)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000011936748 558300880 /nfs/dbraw/zinc/30/08/80/558300880.db2.gz FEQKHYHHVFAVJU-LJQANCHMSA-N 0 3 408.571 4.307 50 0 HIAAHN CCOC(=O)C1(CCOC)CCN([C@@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012030986 558311109 /nfs/dbraw/zinc/31/11/09/558311109.db2.gz FOIAGZJGJOYZDI-INIZCTEOSA-N 0 3 401.469 4.318 50 0 HIAAHN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012204205 558352335 /nfs/dbraw/zinc/35/23/35/558352335.db2.gz BXTCSQSQVXODHA-OAQYLSRUSA-N 0 3 401.510 4.012 50 0 HIAAHN CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cccc(-n3cccn3)c2)CC1 ZINC000012431316 558405701 /nfs/dbraw/zinc/40/57/01/558405701.db2.gz OKARRFNWDDKAGJ-UHFFFAOYSA-N 0 3 403.526 4.260 50 0 HIAAHN FC(F)(F)c1cccc(N2CCN([C@@H]3CCCN(Cc4ccccc4)C3)CC2)c1 ZINC000020781598 558412780 /nfs/dbraw/zinc/41/27/80/558412780.db2.gz RKUNFRCIRXIYHO-JOCHJYFZSA-N 0 3 403.492 4.492 50 0 HIAAHN FC(F)(F)c1cccc(N2CCN([C@H]3CCCN(Cc4ccccc4)C3)CC2)c1 ZINC000020781601 558412805 /nfs/dbraw/zinc/41/28/05/558412805.db2.gz RKUNFRCIRXIYHO-QFIPXVFZSA-N 0 3 403.492 4.492 50 0 HIAAHN CCN1C[C@@H](CN(C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)CC1=O ZINC000012469468 558421461 /nfs/dbraw/zinc/42/14/61/558421461.db2.gz DSYZWFLJFPZTBF-OAQYLSRUSA-N 0 3 416.569 4.456 50 0 HIAAHN O=C(CC[C@H]1CCCN(Cc2ccc3nonc3c2)C1)NCc1ccccc1Cl ZINC000012714242 558454388 /nfs/dbraw/zinc/45/43/88/558454388.db2.gz CKGVHRBXJNMEBC-MRXNPFEDSA-N 0 3 412.921 4.185 50 0 HIAAHN CC(C)[C@@H](NCC(=O)N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000012794526 558467654 /nfs/dbraw/zinc/46/76/54/558467654.db2.gz FKAUAKAPAYJVPS-PXDATVDWSA-N 0 3 408.542 4.328 50 0 HIAAHN CCN1CCN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022860257 558517436 /nfs/dbraw/zinc/51/74/36/558517436.db2.gz DCAZNNZZFVUJFM-NRFANRHFSA-N 0 3 423.384 4.098 50 0 HIAAHN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CNC[C@@]1(c2ccccc2)CC1(C)C ZINC000023128616 558536267 /nfs/dbraw/zinc/53/62/67/558536267.db2.gz HACPLZFFGBVWHX-HSZRJFAPSA-N 0 3 410.949 4.147 50 0 HIAAHN CN(CCc1cnn(C)c1)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000023367141 558552973 /nfs/dbraw/zinc/55/29/73/558552973.db2.gz CHNSOIQQYNXGPG-UHFFFAOYSA-N 0 3 401.514 4.287 50 0 HIAAHN Cc1c2ccccc2[nH]c1CN1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000023375164 558554983 /nfs/dbraw/zinc/55/49/83/558554983.db2.gz PRZSXUPHVPNYCK-FQEVSTJZSA-N 0 3 406.549 4.402 50 0 HIAAHN COc1cc(Br)cc(CNCCCCCO)c1OCc1ccccc1 ZINC000013727309 558585000 /nfs/dbraw/zinc/58/50/00/558585000.db2.gz SHJZNNPCQURPGW-UHFFFAOYSA-N 0 3 408.336 4.289 50 0 HIAAHN CSc1nc2sc3c(c2c2nnc(SCCN4CCCC4)n21)CC[C@H](C)C3 ZINC000013728024 558585421 /nfs/dbraw/zinc/58/54/21/558585421.db2.gz QRRDRMYWWZKQLG-LBPRGKRZSA-N 0 3 419.645 4.374 50 0 HIAAHN COc1cc(CNCc2cccc(C(F)(F)F)c2)ccc1OCC(=O)N1CCCC1 ZINC000025261410 558636243 /nfs/dbraw/zinc/63/62/43/558636243.db2.gz JRLKMHVEKAPXBH-UHFFFAOYSA-N 0 3 422.447 4.005 50 0 HIAAHN COc1ccc(OCCNCc2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000014240809 558643691 /nfs/dbraw/zinc/64/36/91/558643691.db2.gz IAXJLUTXCOHRLP-UHFFFAOYSA-N 0 3 423.509 4.460 50 0 HIAAHN C[C@H](c1cc2ccccc2o1)N(C)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000026925065 558667254 /nfs/dbraw/zinc/66/72/54/558667254.db2.gz QSEBPUJSBXPXEI-GOSISDBHSA-N 0 3 409.505 4.304 50 0 HIAAHN COc1ccc([C@@H](CNC(=O)COc2cc(C)cc(C)c2)N2CCCCCC2)cc1 ZINC000027663583 558678930 /nfs/dbraw/zinc/67/89/30/558678930.db2.gz ZHFCYZFPIOLTBC-XMMPIXPASA-N 0 3 410.558 4.424 50 0 HIAAHN Cc1ccc(CN2C(=O)CC[C@H]2CCNCc2cc3c(cc2Cl)OCO3)cc1F ZINC000014952191 558681223 /nfs/dbraw/zinc/68/12/23/558681223.db2.gz SLJJMBMGYZQEMJ-KRWDZBQOSA-N 0 3 418.896 4.187 50 0 HIAAHN COc1ccccc1CN1CCC[C@H](c2nnc(SCc3ccccc3)n2C)C1 ZINC000015000617 558697637 /nfs/dbraw/zinc/69/76/37/558697637.db2.gz BVPVWGJYCGRMJF-FQEVSTJZSA-N 0 3 408.571 4.496 50 0 HIAAHN C[C@]12C(=O)N(c3ccc(F)cc3)C(=O)C1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000015320598 558732658 /nfs/dbraw/zinc/73/26/58/558732658.db2.gz GBTGNQFSCNVAKQ-ZFGGDYGUSA-N 0 3 402.425 4.267 50 0 HIAAHN CCOc1ccc(Cl)c(C(=O)OC[C@@H]2CCCN(C)[C@@H]2c2ccc(OC)cc2)n1 ZINC000072310647 558777499 /nfs/dbraw/zinc/77/74/99/558777499.db2.gz PQYVLJAMOZKEMH-HRAATJIYSA-N 0 3 418.921 4.382 50 0 HIAAHN CCc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000016752232 558805033 /nfs/dbraw/zinc/80/50/33/558805033.db2.gz WAUVXIYCHOZRSF-QFIPXVFZSA-N 0 3 404.510 4.161 50 0 HIAAHN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1C ZINC000017090852 558819605 /nfs/dbraw/zinc/81/96/05/558819605.db2.gz UQLDLRYJQUAKCI-UHFFFAOYSA-N 0 3 416.631 4.195 50 0 HIAAHN Cc1nccn1CCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2 ZINC000019301054 558866476 /nfs/dbraw/zinc/86/64/76/558866476.db2.gz ZFDCVTKHWPRCNB-VWLOTQADSA-N 0 3 408.590 4.220 50 0 HIAAHN CCN(Cc1ccccc1)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)C1CC1 ZINC000055166583 558874724 /nfs/dbraw/zinc/87/47/24/558874724.db2.gz HZKMIKNJWJTVGR-UHFFFAOYSA-N 0 3 423.538 4.454 50 0 HIAAHN CCCC[C@H]1CN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2ccccc2O1 ZINC000055226053 558876835 /nfs/dbraw/zinc/87/68/35/558876835.db2.gz DHJNDRBXNKSWBP-QFIPXVFZSA-N 0 3 405.542 4.438 50 0 HIAAHN O=C(NCCN1CCCCCC1)c1cccc(-c2nc(-c3cccc(F)c3)no2)c1 ZINC000033129651 558885437 /nfs/dbraw/zinc/88/54/37/558885437.db2.gz ZCWQQGYRCPYHSV-UHFFFAOYSA-N 0 3 408.477 4.149 50 0 HIAAHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)C[C@@H](C)O1 ZINC000058224456 558913407 /nfs/dbraw/zinc/91/34/07/558913407.db2.gz ANWUSQFGMAREHE-WOJBJXKFSA-N 0 3 408.542 4.440 50 0 HIAAHN COc1ccc(C[C@](O)(c2ccc(OC)cc2)c2ccc(OCCN(C)C)cc2)cc1 ZINC000095918113 559089049 /nfs/dbraw/zinc/08/90/49/559089049.db2.gz XTXLAJQCOUOATO-SANMLTNESA-N 0 3 421.537 4.123 50 0 HIAAHN CCOc1ccccc1C(=O)N(CCN(CC)CC)c1ccc(Br)cn1 ZINC000328597105 559171530 /nfs/dbraw/zinc/17/15/30/559171530.db2.gz DNARRLUBZPPEQL-UHFFFAOYSA-N 0 3 420.351 4.231 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)CSc3ccc(F)c(F)c3)c(C)c2)CC1 ZINC000023793397 559181076 /nfs/dbraw/zinc/18/10/76/559181076.db2.gz YISDZHJHKKSWLN-UHFFFAOYSA-N 0 3 405.514 4.146 50 0 HIAAHN COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(C(C)C)CC2)c(OC)c1 ZINC000004888793 559197760 /nfs/dbraw/zinc/19/77/60/559197760.db2.gz QPAYQFBORIQOID-JOCHJYFZSA-N 0 3 421.541 4.448 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccccc1F ZINC000005085434 559242220 /nfs/dbraw/zinc/24/22/20/559242220.db2.gz MADIIHWVTPVBSD-QHAWAJNXSA-N 0 3 406.388 4.016 50 0 HIAAHN CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(OC)cc3OC)=NN12 ZINC000005092636 559244077 /nfs/dbraw/zinc/24/40/77/559244077.db2.gz XNMQVBDVPHHCNR-OAQYLSRUSA-N 0 3 407.514 4.059 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000137391112 559280065 /nfs/dbraw/zinc/28/00/65/559280065.db2.gz AKDBBUXGUHMDLV-PWRODBHTSA-N 0 3 420.852 4.097 50 0 HIAAHN COCCn1ccc2c1cccc2C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000409414499 560723316 /nfs/dbraw/zinc/72/33/16/560723316.db2.gz LGCQXKCDNFDHIC-UHFFFAOYSA-N 0 3 407.514 4.015 50 0 HIAAHN CCC[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000018098883 560775411 /nfs/dbraw/zinc/77/54/11/560775411.db2.gz BGOFGNTZSGJLKH-SQNIBIBYSA-N 0 3 405.281 4.472 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(O)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102727242 560822045 /nfs/dbraw/zinc/82/20/45/560822045.db2.gz YVHMGXOOHASBAF-PCCBWWKXSA-N 0 3 420.852 4.097 50 0 HIAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000102861325 560831848 /nfs/dbraw/zinc/83/18/48/560831848.db2.gz YIUVGXMAJGCVAH-DNVJHFABSA-N 0 3 414.461 4.055 50 0 HIAAHN CC(C)N(Cc1nc(-c2ccc(Br)s2)no1)[C@H]1CCCC[C@H]1O ZINC000107538054 560896596 /nfs/dbraw/zinc/89/65/96/560896596.db2.gz IXSQVEZGBODXMZ-NWDGAFQWSA-N 0 3 400.342 4.075 50 0 HIAAHN CCn1c(C)cc(O)c([C@@H](c2cccnc2)N2CCC(Cc3ccccc3)CC2)c1=O ZINC000022697449 568415486 /nfs/dbraw/zinc/41/54/86/568415486.db2.gz RWPNGLFOUGEQOZ-RUZDIDTESA-N 0 3 417.553 4.321 50 0 HIAAHN COc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)cc(OC)c1OC ZINC000215969064 568462736 /nfs/dbraw/zinc/46/27/36/568462736.db2.gz BHUXVRVMMYAXKN-UHFFFAOYSA-N 0 3 419.525 4.159 50 0 in-vitro HIAAHN C[C@H](c1ccccc1)N1CCC(NC(=O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC000095397785 568604580 /nfs/dbraw/zinc/60/45/80/568604580.db2.gz JDLDWQAGLANKKN-MRXNPFEDSA-N 0 3 406.448 4.426 50 0 HIAAHN CCN1CCC(N(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)C2CC2)CC1 ZINC000095446539 568611905 /nfs/dbraw/zinc/61/19/05/568611905.db2.gz WCHRZJVWQKAREK-UHFFFAOYSA-N 0 3 413.591 4.345 50 0 HIAAHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000095467039 568624575 /nfs/dbraw/zinc/62/45/75/568624575.db2.gz ZSCQSRHFJMMKOX-CQSZACIVSA-N 0 3 409.456 4.085 50 0 HIAAHN O=C(NCCN1CCCCCC1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728572 568640540 /nfs/dbraw/zinc/64/05/40/568640540.db2.gz GJQKEFPVAFOKAX-OQKWZONESA-N 0 3 421.566 4.378 50 0 HIAAHN CCOc1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)CN(C)CC3)cc1 ZINC000020927246 568651519 /nfs/dbraw/zinc/65/15/19/568651519.db2.gz UOKWIEODTWVXMC-UHFFFAOYSA-N 0 3 410.543 4.247 50 0 HIAAHN CCCN(CCC)CC(=O)Nc1ccc(CC(=O)N[C@@H](C)Cc2ccccc2)cc1 ZINC000095851920 568654002 /nfs/dbraw/zinc/65/40/02/568654002.db2.gz VAUCCFCCCXZMCX-FQEVSTJZSA-N 0 3 409.574 4.037 50 0 HIAAHN O=C(NCC1CCN(Cc2ccc(F)cc2)CC1)c1cccc2c1SCCC2=O ZINC000021103222 568666541 /nfs/dbraw/zinc/66/65/41/568666541.db2.gz HUTYXTUXPXWAHA-UHFFFAOYSA-N 0 3 412.530 4.146 50 0 HIAAHN CC[C@H](CO)NCc1cnc(C)c2oc(-c3cc(=O)oc4c(C)c(C)ccc34)cc21 ZINC000096114082 568693609 /nfs/dbraw/zinc/69/36/09/568693609.db2.gz SSUGIRRWLQPGAW-QGZVFWFLSA-N 0 3 406.482 4.387 50 0 HIAAHN CCOCCCNCc1nn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1 ZINC000248321433 568748424 /nfs/dbraw/zinc/74/84/24/568748424.db2.gz UPAHRUZXKQNUFN-UHFFFAOYSA-N 0 3 402.901 4.302 50 0 HIAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)c(F)c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000230050556 568805095 /nfs/dbraw/zinc/80/50/95/568805095.db2.gz RLIPVQWPVHWTJF-PWRODBHTSA-N 0 3 424.378 4.155 50 0 HIAAHN COc1ccc(CNC[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)cc1OC ZINC000005936010 568830490 /nfs/dbraw/zinc/83/04/90/568830490.db2.gz PNUUMSFMETUGDF-GJZUVCINSA-N 0 3 421.537 4.269 50 0 HIAAHN CCN1CCN(c2ccc(NC(=O)c3cc(-c4ccc(C)cc4)[nH]n3)c(C)c2)CC1 ZINC000012535521 568845246 /nfs/dbraw/zinc/84/52/46/568845246.db2.gz JBVXDYFZMUEFLI-UHFFFAOYSA-N 0 3 403.530 4.088 50 0 HIAAHN CCN(CC)[C@@H](CNC(=O)COc1ccc(Oc2ccccn2)cc1)c1ccccc1 ZINC000012546150 568850615 /nfs/dbraw/zinc/85/06/15/568850615.db2.gz IHNZYUDJVJJLKU-QHCPKHFHSA-N 0 3 419.525 4.452 50 0 HIAAHN Cc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)NCCN3CCCC[C@H]3C)C2)c1 ZINC000230140449 568852419 /nfs/dbraw/zinc/85/24/19/568852419.db2.gz XQZVPFJRKSLDTP-RTWAWAEBSA-N 0 3 414.594 4.010 50 0 HIAAHN CSc1ccc2cc(CNC[C@@H]3COc4ccccc4O3)c(=O)n(CC(C)C)c2c1 ZINC000299786053 568875380 /nfs/dbraw/zinc/87/53/80/568875380.db2.gz MQSQQQHFBYMWDE-LJQANCHMSA-N 0 3 424.566 4.309 50 0 HIAAHN CC1CCN([C@@H](CNC(=O)CCc2cnn(-c3ccccc3)c2)c2cccs2)CC1 ZINC000012737886 568925350 /nfs/dbraw/zinc/92/53/50/568925350.db2.gz NZNDYWZDKGDCGQ-QFIPXVFZSA-N 0 3 422.598 4.456 50 0 HIAAHN CN1CCCN(c2ncnc3scc(-c4ccc(Br)cc4)c32)CC1 ZINC000012737884 568925371 /nfs/dbraw/zinc/92/53/71/568925371.db2.gz AVTGMLGEOGMKAC-UHFFFAOYSA-N 0 3 403.349 4.263 50 0 HIAAHN CN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000008373811 568995673 /nfs/dbraw/zinc/99/56/73/568995673.db2.gz SHMVUPNTJPRUSU-IBGZPJMESA-N 0 3 414.864 4.082 50 0 HIAAHN O=C(c1cc(-c2cccnc2)[nH]n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000015785488 569005700 /nfs/dbraw/zinc/00/57/00/569005700.db2.gz NXRQNGNCCWMHBD-UHFFFAOYSA-N 0 3 423.520 4.019 50 0 HIAAHN COc1ccc(-n2nnnc2C2(NCCc3c[nH]c4ccccc34)CCCCC2)cc1 ZINC000575443715 569028539 /nfs/dbraw/zinc/02/85/39/569028539.db2.gz JCKBIZIQHZNZHZ-UHFFFAOYSA-N 0 3 416.529 4.144 50 0 HIAAHN O=C(C1c2ccccc2Oc2ccccc21)N1CCCN(C2CCSCC2)CC1 ZINC000575616933 569037168 /nfs/dbraw/zinc/03/71/68/569037168.db2.gz SXSSGACGQMKSOM-UHFFFAOYSA-N 0 3 408.567 4.354 50 0 HIAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000239274913 569054073 /nfs/dbraw/zinc/05/40/73/569054073.db2.gz AXIORQHCBDQORL-YPAWHYETSA-N 0 3 418.449 4.120 50 0 HIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)c(F)c4)[C@H]3C2=O)cc1 ZINC000245311949 569055821 /nfs/dbraw/zinc/05/58/21/569055821.db2.gz QUFAJEFNCKOFAQ-YPAWHYETSA-N 0 3 420.415 4.324 50 0 HIAAHN COc1cccc([C@@H](C)NC(=O)C2CCN(Cc3cn(C)c4ccccc34)CC2)c1 ZINC000064669604 569078826 /nfs/dbraw/zinc/07/88/26/569078826.db2.gz FDAMKRGSUBKNLP-GOSISDBHSA-N 0 3 405.542 4.276 50 0 HIAAHN CCN(CC)CCn1cnc2c(c1=N)[C@@H](c1ccccc1Cl)c1ccc(O)cc1O2 ZINC000006660479 569083408 /nfs/dbraw/zinc/08/34/08/569083408.db2.gz BTNNFGTZMRUYBQ-FQEVSTJZSA-N 0 3 424.932 4.349 50 0 HIAAHN CC(C)CC(=O)N(CCN(C)C)Cc1nccn1Cc1ccc(Cl)cc1Cl ZINC000006689963 569089291 /nfs/dbraw/zinc/08/92/91/569089291.db2.gz ZEMMOXACIVZCSE-UHFFFAOYSA-N 0 3 411.377 4.175 50 0 HIAAHN CC[C@H](C)N(Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036095824 569090057 /nfs/dbraw/zinc/09/00/57/569090057.db2.gz INDFLJYLRAFLOD-LPHOPBHVSA-N 0 3 407.938 4.398 50 0 HIAAHN CCC(CC)C(=O)N(CCN(C)C)Cc1cc(NC(=O)CC(C)C)ccc1N(C)C ZINC000006712894 569096903 /nfs/dbraw/zinc/09/69/03/569096903.db2.gz VHNVYNGUITTYCH-UHFFFAOYSA-N 0 3 418.626 4.064 50 0 HIAAHN CCN(CC)c1onc(-c2ccccc2)c1CN(CCC(C)C)C[C@@H](O)COC ZINC000036248936 569117947 /nfs/dbraw/zinc/11/79/47/569117947.db2.gz RIEURNYUTOLULU-HXUWFJFHSA-N 0 3 403.567 4.043 50 0 HIAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COCC ZINC000036308292 569130332 /nfs/dbraw/zinc/13/03/32/569130332.db2.gz TYFDUQLVGOJDIU-OAQYLSRUSA-N 0 3 423.557 4.489 50 0 HIAAHN Cc1cc2sc(N3CCC[C@@H](C(=O)NCCN4CCCC[C@@H]4C)C3)nc2c(C)c1 ZINC000006821484 569140521 /nfs/dbraw/zinc/14/05/21/569140521.db2.gz WSCQJELSEOAECD-RBUKOAKNSA-N 0 3 414.619 4.120 50 0 HIAAHN O=C(NCCN1CCCCCC1)c1cccc(-c2cc(NC3CCCCC3)ncn2)c1 ZINC000064989637 569146124 /nfs/dbraw/zinc/14/61/24/569146124.db2.gz IMPRLOMDKNOQQH-UHFFFAOYSA-N 0 3 421.589 4.494 50 0 HIAAHN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCN(C)C)cc1 ZINC000006870514 569160422 /nfs/dbraw/zinc/16/04/22/569160422.db2.gz VCCATZZHZGZXSG-UHFFFAOYSA-N 0 3 401.514 4.460 50 0 HIAAHN Cc1ccccc1[S@@](=O)Cc1ccc(C(=O)NCCCN(C)Cc2ccccc2)o1 ZINC000006895396 569175278 /nfs/dbraw/zinc/17/52/78/569175278.db2.gz CIMYGFZMZNVGLL-SSEXGKCCSA-N 0 3 424.566 4.148 50 0 HIAAHN CCCN(CCC)CCNC(=O)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1 ZINC000006895573 569175333 /nfs/dbraw/zinc/17/53/33/569175333.db2.gz MHFWFFMAQUEAOP-HHHXNRCGSA-N 0 3 410.967 4.093 50 0 HIAAHN CSc1ncc(C(=O)NCCCN2CCc3ccccc3C2)c(-c2ccccc2)n1 ZINC000006938219 569185327 /nfs/dbraw/zinc/18/53/27/569185327.db2.gz GRQWAUPTGQLTLD-UHFFFAOYSA-N 0 3 418.566 4.044 50 0 HIAAHN CCCn1c(-c2cccc(C(=O)NCCN3CCCC[C@@H]3C)c2)nc2cccnc21 ZINC000065172873 569189957 /nfs/dbraw/zinc/18/99/57/569189957.db2.gz XGZZCVWYKHOHCH-SFHVURJKSA-N 0 3 405.546 4.113 50 0 HIAAHN Cc1cc(O)c([C@H](c2ccccc2)N2CCC(C)CC2)c(=O)n1Cc1cccnc1 ZINC000016993811 569270910 /nfs/dbraw/zinc/27/09/10/569270910.db2.gz FVHSSMRGFYTAMG-DEOSSOPVSA-N 0 3 403.526 4.127 50 0 HIAAHN CC(C)[C@H](CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F)c1cccnc1 ZINC000252552553 569294324 /nfs/dbraw/zinc/29/43/24/569294324.db2.gz UWGHQFZQZXVTHR-HBMCJLEFSA-N 0 3 419.491 4.248 50 0 HIAAHN C[C@@H](C(=O)N1CCc2[nH]c3ccccc3c2C1)N1CCC(Cc2ccccc2)CC1 ZINC000002318615 569374293 /nfs/dbraw/zinc/37/42/93/569374293.db2.gz BVAMEPRVGYJSFP-IBGZPJMESA-N 0 3 401.554 4.396 50 0 HIAAHN Cn1nc(C(=O)Nc2ccc(CN3CCCCC3)cc2)c2c1-c1ccsc1CC2 ZINC000009687673 571280096 /nfs/dbraw/zinc/28/00/96/571280096.db2.gz GCLJAJVXFULTBR-UHFFFAOYSA-N 0 3 406.555 4.485 50 0 HIAAHN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1F)N(CCCN(C)C)C3=O ZINC000010233135 571297589 /nfs/dbraw/zinc/29/75/89/571297589.db2.gz DCOOAGWBCIBRKU-NRFANRHFSA-N 0 3 408.473 4.046 50 0 HIAAHN O=C(NCCCN1CCN(C2CCCCC2)CC1)c1csc2c1CCCCC2 ZINC000020379949 571314692 /nfs/dbraw/zinc/31/46/92/571314692.db2.gz CONJGXIXYINRMK-UHFFFAOYSA-N 0 3 403.636 4.087 50 0 HIAAHN