smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc([C@@H]2CN(Cc3ccccc3F)[C@@H]3CCCCC(=O)N[C@@H]23)c1 ZINC000019712850 856427235 /nfs/dbraw/zinc/42/72/35/856427235.db2.gz FDGONMUJYVTGML-WPYKKVEZSA-N 0 3 382.479 3.861 40 0 GHABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)cc3C)cc2)CC1 ZINC000006026479 204161036 /nfs/dbraw/zinc/16/10/36/204161036.db2.gz BSNSUSSKEDAEHN-UHFFFAOYSA-N 0 3 396.560 3.572 40 0 GHABHN CCn1c(CN2CCC[C@H](c3nnc(-c4cccnc4)[nH]3)C2)nc2ccccc21 ZINC000012087319 204370216 /nfs/dbraw/zinc/37/02/16/204370216.db2.gz JXHQAHUBKMAOHR-KRWDZBQOSA-N 0 3 387.491 3.616 40 0 GHABHN CCc1cccc2c(CC(=O)N(CCN(C)C)Cc3cccnc3)c(C)[nH]c21 ZINC000012222266 204384939 /nfs/dbraw/zinc/38/49/39/204384939.db2.gz YDVBHDCKRFWRHP-UHFFFAOYSA-N 0 3 378.520 3.567 40 0 GHABHN Cc1[nH]c2ccc(F)cc2c1CC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000012238181 204387118 /nfs/dbraw/zinc/38/71/18/204387118.db2.gz NWBVNJNOJGMMCJ-UHFFFAOYSA-N 0 3 385.458 3.887 40 0 GHABHN Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012293442 204389982 /nfs/dbraw/zinc/38/99/82/204389982.db2.gz PXLLNBNSXKKVJZ-FGZHOGPDSA-N 0 3 381.516 3.996 40 0 GHABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012329907 204398728 /nfs/dbraw/zinc/39/87/28/204398728.db2.gz ZLQGCNQIYZJAPZ-VXKWHMMOSA-N 0 3 397.515 3.696 40 0 GHABHN COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1C ZINC000038858174 205040165 /nfs/dbraw/zinc/04/01/65/205040165.db2.gz KYSMFNSKBCOEME-QGZVFWFLSA-N 0 3 384.451 3.771 40 0 GHABHN COc1ccccc1CCCNC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044906641 205089117 /nfs/dbraw/zinc/08/91/17/205089117.db2.gz NGOPAKPWMBTWIG-FQEVSTJZSA-N 0 3 384.495 3.795 40 0 GHABHN Fc1cccc(-c2ccc(CN3CCC(c4nnc5n4CCNC5)CC3)cc2)c1 ZINC000072372075 205335207 /nfs/dbraw/zinc/33/52/07/205335207.db2.gz LOVZNEXETVBIBK-UHFFFAOYSA-N 0 3 391.494 3.567 40 0 GHABHN CNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1Cc1cn(C)nc1C ZINC000072370353 205335698 /nfs/dbraw/zinc/33/56/98/205335698.db2.gz AKSFPIFOUDXTAP-MRXNPFEDSA-N 0 3 382.533 3.510 40 0 GHABHN CN(C)CCNC(=O)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1 ZINC000096154321 205535841 /nfs/dbraw/zinc/53/58/41/205535841.db2.gz CHGWPGUUCMBUQZ-UHFFFAOYSA-N 0 3 394.406 3.580 40 0 GHABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)sc(=O)n4C)CC2)cc1 ZINC000225055535 206035803 /nfs/dbraw/zinc/03/58/03/206035803.db2.gz ZTGPOXGFDJARCW-UHFFFAOYSA-N 0 3 395.528 3.759 40 0 GHABHN OC1(c2csc(CN3CCc4ccccc4C3)n2)CCN(C2CCC2)CC1 ZINC000225473456 206051589 /nfs/dbraw/zinc/05/15/89/206051589.db2.gz IVRYIRKOYUHJEK-UHFFFAOYSA-N 0 3 383.561 3.537 40 0 biogenic,in-vitro GHABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1cc2c(cc1OC)CCCC2 ZINC000225818672 206079427 /nfs/dbraw/zinc/07/94/27/206079427.db2.gz NJPUZMSZMZFBFU-IBGZPJMESA-N 0 3 394.581 3.507 40 0 GHABHN COc1ccccc1Cc1cc(C(=O)N2CCC[C@@H]3N(C)CCC[C@@]32C)ccn1 ZINC000257317730 206178393 /nfs/dbraw/zinc/17/83/93/206178393.db2.gz VKXMVYDYZLBEHJ-UPVQGACJSA-N 0 3 393.531 3.770 40 0 GHABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NCCc2ccc(F)cc2)c1 ZINC000257266174 206169263 /nfs/dbraw/zinc/16/92/63/206169263.db2.gz MBWJJEMBHXVSLD-UHFFFAOYSA-N 0 3 377.463 3.922 40 0 GHABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COc1ccc(F)c(Cl)c1 ZINC000257270762 206169728 /nfs/dbraw/zinc/16/97/28/206169728.db2.gz MVOFGDULVBHKLZ-UUZHKXTQSA-N 0 3 380.891 3.722 40 0 GHABHN COc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4ccsc4)C2)OC3)c1 ZINC000306135118 206203966 /nfs/dbraw/zinc/20/39/66/206203966.db2.gz OIKUSWBVSHVTNI-OAQYLSRUSA-N 0 3 381.501 3.795 40 0 GHABHN CC(C)C[C@@H]1N[C@H](C(=O)NCCOc2ccccc2)Cc2c[nH]c3cccc1c23 ZINC000049171453 560084375 /nfs/dbraw/zinc/08/43/75/560084375.db2.gz NUWWQOWCIAWAJY-VXKWHMMOSA-N 0 3 391.515 3.965 40 0 biogenic,in-vitro GHABHN Cc1nc([C@@H]2CCCN(Cc3ccccc3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763153 570217428 /nfs/dbraw/zinc/21/74/28/570217428.db2.gz FQKBLQNFWFQZSZ-HXUWFJFHSA-N 0 3 378.520 3.791 40 0 GHABHN COc1cccc(CN2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)c1 ZINC000096244343 570223504 /nfs/dbraw/zinc/22/35/04/570223504.db2.gz UKGZUYMRCFDUEC-DEOSSOPVSA-N 0 3 387.483 3.826 40 0 GHABHN CN1c2ccccc2C(c2ccccc2F)=NC[C@H]1CNC(=O)c1ccsc1 ZINC000001532369 570264721 /nfs/dbraw/zinc/26/47/21/570264721.db2.gz NPGABYHTDVGGJK-INIZCTEOSA-N 0 3 393.487 3.973 40 0 in-man GHABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 ZINC000223282970 570455844 /nfs/dbraw/zinc/45/58/44/570455844.db2.gz PBVQOIQIKOCRSG-LEWJYISDSA-N 0 3 392.528 3.876 40 0 GHABHN CC(=O)Nc1ccc(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)cc1 ZINC000242765142 570456477 /nfs/dbraw/zinc/45/64/77/570456477.db2.gz DOQKESUCNIFZNN-UHFFFAOYSA-N 0 3 390.491 3.819 40 0 GHABHN COc1cc2c(c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4C)c1O)[C@@H](C)NCC2 ZINC000033778577 570528725 /nfs/dbraw/zinc/52/87/25/570528725.db2.gz YEMKSFIYOHUWLM-ZIAGYGMSSA-N 0 3 398.503 3.957 40 0 GHABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000226258560 570935143 /nfs/dbraw/zinc/93/51/43/570935143.db2.gz PBUZLVVPHIBXNZ-UHFFFAOYSA-N 0 3 380.536 3.961 40 0 GHABHN Cc1ccc2oc(C(=O)N3CCc4nc(C5CCN(C)CC5)ncc4C3)cc2c1 ZINC000019221350 570963275 /nfs/dbraw/zinc/96/32/75/570963275.db2.gz DXWIUEBEKOFHJE-UHFFFAOYSA-N 0 3 390.487 3.539 40 0 GHABHN O=c1cc(C[C@H](NCc2ccncc2)c2ccc(F)cc2)nc(C2CCC2)[nH]1 ZINC000019332481 570975629 /nfs/dbraw/zinc/97/56/29/570975629.db2.gz RIEQZGPFWQZDAJ-FQEVSTJZSA-N 0 3 378.451 3.645 40 0 GHABHN COCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccc(C(C)C)cc3)C2)no1 ZINC000019453218 570986090 /nfs/dbraw/zinc/98/60/90/570986090.db2.gz RGWCWGXMBNHKIY-LJQANCHMSA-N 0 3 385.508 3.554 40 0 GHABHN CCCN1CCC(C[C@H]2CC(c3cccc(F)c3)=NO2)(C(=O)OCC)CC1 ZINC000019502603 570993593 /nfs/dbraw/zinc/99/35/93/570993593.db2.gz OFFSWJAXDFTAMQ-GOSISDBHSA-N 0 3 376.472 3.764 40 0 GHABHN Cc1cn2c(ncc(C(=O)Nc3cccc(CN4CCCC[C@@H]4C)c3)c2=O)s1 ZINC000019717070 571039119 /nfs/dbraw/zinc/03/91/19/571039119.db2.gz HGKFHXYNRKDHGV-AWEZNQCLSA-N 0 3 396.516 3.691 40 0 GHABHN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1ccsc1)CC2 ZINC000096061342 571098578 /nfs/dbraw/zinc/09/85/78/571098578.db2.gz PBPOOVSFEOVRHD-FQEVSTJZSA-N 0 3 384.545 3.745 40 0 GHABHN COc1ccc(CN2CCC[C@@H]([C@@H](NC(C)=O)c3nccs3)C2)c(C)c1C ZINC000012365812 856418890 /nfs/dbraw/zinc/41/88/90/856418890.db2.gz WSDOETBFBXMGLM-UYAOXDASSA-N 0 3 387.549 3.858 40 0 GHABHN CCN1CCN(c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)CC1 ZINC000006246614 204172338 /nfs/dbraw/zinc/17/23/38/204172338.db2.gz DAAWPJZBSIXCSU-UHFFFAOYSA-N 0 3 399.363 3.776 40 0 GHABHN COc1ccc(-c2noc([C@@H]3C[C@H](NCc4ccc(C)cc4)CN3C)n2)cc1 ZINC000035424531 204192228 /nfs/dbraw/zinc/19/22/28/204192228.db2.gz SJUHHDWWTFYYNY-ICSRJNTNSA-N 0 3 378.476 3.589 40 0 biogenic,in-vitro GHABHN CC[C@H](CN1CCCCC1)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000012239800 204386303 /nfs/dbraw/zinc/38/63/03/204386303.db2.gz KNVUQMXWGKWSAJ-QGZVFWFLSA-N 0 3 375.513 3.872 40 0 GHABHN COc1ccc(CN2CCC(O)(c3cccc(C)c3)CC2)cc1Cn1cccn1 ZINC000012328286 204398943 /nfs/dbraw/zinc/39/89/43/204398943.db2.gz XUZOSNIJHBKXOO-UHFFFAOYSA-N 0 3 391.515 3.732 40 0 GHABHN COc1ccc2c(CN3CCC[C@H]([C@H](NC(C)=O)c4nccs4)C3)c[nH]c2c1 ZINC000072337757 205327891 /nfs/dbraw/zinc/32/78/91/205327891.db2.gz HCLQHOFIPIWWFT-YWZLYKJASA-N 0 3 398.532 3.722 40 0 GHABHN CC(=O)N1CCC(N2CCC(c3nccnc3Oc3ccc(F)cc3)CC2)CC1 ZINC000072363007 205335663 /nfs/dbraw/zinc/33/56/63/205335663.db2.gz YBLMPMMNTDJROV-UHFFFAOYSA-N 0 3 398.482 3.598 40 0 GHABHN CCc1ccc(OCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000224529380 206021771 /nfs/dbraw/zinc/02/17/71/206021771.db2.gz TXAMNDDHTGKODK-UHFFFAOYSA-N 0 3 380.532 3.965 40 0 GHABHN COc1ccc(OC)c(NC(=S)NC2CCN(Cc3cccs3)CC2)c1 ZINC000225230037 206042486 /nfs/dbraw/zinc/04/24/86/206042486.db2.gz QTLHTASBHWBFTM-UHFFFAOYSA-N 0 3 391.562 3.716 40 0 GHABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NCc2nc3ccccc3[nH]2)c1 ZINC000257203183 206157697 /nfs/dbraw/zinc/15/76/97/206157697.db2.gz AOZHFNQDSUVFRJ-UHFFFAOYSA-N 0 3 385.471 3.617 40 0 GHABHN Cc1cc(Nc2ccccn2)cc(C2CCN(CC(=O)N3CCCCC3)CC2)n1 ZINC000257273326 206171754 /nfs/dbraw/zinc/17/17/54/206171754.db2.gz NGDABZYOFNIMSM-UHFFFAOYSA-N 0 3 393.535 3.721 40 0 GHABHN COCCn1ccnc1[C@@H]1CN(Cc2cccc(OC)c2)Cc2ccccc21 ZINC000306125744 206197132 /nfs/dbraw/zinc/19/71/32/206197132.db2.gz DARSXGCQVMKTLR-JOCHJYFZSA-N 0 3 377.488 3.686 40 0 GHABHN Cc1ccsc1CN1C[C@H]2[C@H](C1)N(Cc1ccccc1)C(=O)c1cccn12 ZINC000306125904 206197318 /nfs/dbraw/zinc/19/73/18/206197318.db2.gz DFIISWSQUMNZNS-PMACEKPBSA-N 0 3 377.513 3.940 40 0 GHABHN COc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccc(F)cc4)C2)OC3)cc1 ZINC000306137431 206203088 /nfs/dbraw/zinc/20/30/88/206203088.db2.gz QWBFRFKDZQHSFZ-HSZRJFAPSA-N 0 3 393.462 3.873 40 0 GHABHN O[C@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNCc1ccccc1 ZINC000077262559 560046562 /nfs/dbraw/zinc/04/65/62/560046562.db2.gz FPAYRAAPTHHSQY-QNWVGRARSA-N 0 3 396.462 3.722 40 0 biogenic,in-vitro GHABHN COc1ccc2c(c1O)[C@]13CCN(C)[C@H](C2)[C@H]1C(Br)=CC=C3C ZINC000096316404 560053973 /nfs/dbraw/zinc/05/39/73/560053973.db2.gz FCXBYZRFHRNZPT-LSBZLQRGSA-N 0 3 376.294 3.754 40 0 biogenic,in-vitro GHABHN Cn1nc(-c2ccc(F)cc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccco1 ZINC000039560672 560085879 /nfs/dbraw/zinc/08/58/79/560085879.db2.gz ZYQHDAPHOFBVAS-DSKINZAPSA-N 0 3 394.494 3.787 40 0 biogenic,in-vitro GHABHN Cn1cnc2c1cc(C1CCN(Cc3cccnc3)CC1)nc2-c1cccnc1 ZINC000096099951 570210394 /nfs/dbraw/zinc/21/03/94/570210394.db2.gz KPNGFQSJYNJYAH-UHFFFAOYSA-N 0 3 384.487 3.805 40 0 GHABHN COc1ccc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1OC ZINC000020110769 570240806 /nfs/dbraw/zinc/24/08/06/570240806.db2.gz AAYUWYLUBNCZOI-UHFFFAOYSA-N 0 3 382.504 3.866 40 0 GHABHN CCC1C(=O)N=C(SCC(=O)Nc2ccc(C)cc2)N(c2ccccc2)C1=O ZINC000001089450 570241600 /nfs/dbraw/zinc/24/16/00/570241600.db2.gz LLSZEZFIRXITRT-KRWDZBQOSA-N 0 3 395.484 3.622 40 0 GHABHN Cc1ccc2[nH]c(=O)c(CNC[C@@H](O)COc3ccc(Cl)c(C)c3)cc2c1 ZINC000585292687 570260667 /nfs/dbraw/zinc/26/06/67/570260667.db2.gz NGWLJAFHAWLVAV-QGZVFWFLSA-N 0 3 386.879 3.740 40 0 GHABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000101178761 570433209 /nfs/dbraw/zinc/43/32/09/570433209.db2.gz MBEIPAAIJONRMZ-ACRUOGEOSA-N 0 3 388.423 3.893 40 0 GHABHN Cc1cccc(CN2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)c1 ZINC000039758072 570449374 /nfs/dbraw/zinc/44/93/74/570449374.db2.gz RSWUWXSJHLIAND-UHFFFAOYSA-N 0 3 395.522 3.695 40 0 GHABHN CC(=O)OCc1ccc(CN2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)o1 ZINC000036740026 570563562 /nfs/dbraw/zinc/56/35/62/570563562.db2.gz WSMQRFJVQZNWBS-USCONSEESA-N 0 3 387.451 3.602 40 0 GHABHN C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2 ZINC000260842850 570710417 /nfs/dbraw/zinc/71/04/17/570710417.db2.gz XYRZQTRYZQZELE-APWZRJJASA-N 0 3 398.478 3.686 40 0 GHABHN CCOC[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218512847 570924521 /nfs/dbraw/zinc/92/45/21/570924521.db2.gz VUMLLWYHCNZSSR-SLFFLAALSA-N 0 3 393.936 3.570 40 0 GHABHN CC(C)C[C@@H](O)C(=O)N1CCC[C@@]2(CCCN2Cc2cc(F)ccc2F)CC1 ZINC000585100372 570924876 /nfs/dbraw/zinc/92/48/76/570924876.db2.gz KMXFBALNFOBJGJ-IFMALSPDSA-N 0 3 394.506 3.719 40 0 GHABHN Cc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1 ZINC000019136087 570958998 /nfs/dbraw/zinc/95/89/98/570958998.db2.gz HQSNGCVGYDNRSF-LAUBAEHRSA-N 0 3 378.520 3.630 40 0 GHABHN Cc1ccc2scc(CC(=O)N3CCc4nc([C@@H]5CCCN5)ncc4C3)c2c1 ZINC000019220656 570962804 /nfs/dbraw/zinc/96/28/04/570962804.db2.gz IJBUUTZHSTZRDT-IBGZPJMESA-N 0 3 392.528 3.552 40 0 GHABHN Cc1cc(C(=O)N(C[C@@H]2CCCO2)C2CCN(C)CC2)c2cccc(C)c2n1 ZINC000019236709 570966829 /nfs/dbraw/zinc/96/68/29/570966829.db2.gz QHANOPUWDFPWRQ-IBGZPJMESA-N 0 3 381.520 3.567 40 0 GHABHN Cc1ccsc1CN1CCN(c2ccccc2[C@H](O)c2nccs2)CC1 ZINC000019238651 570967633 /nfs/dbraw/zinc/96/76/33/570967633.db2.gz KYKGJIFPOGZSGY-IBGZPJMESA-N 0 3 385.558 3.917 40 0 GHABHN COc1ccc(C[C@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccnc(C)n2)cc1 ZINC000019287535 570970020 /nfs/dbraw/zinc/97/00/20/570970020.db2.gz RCPXHLIOHZPTAJ-XPWALMASSA-N 0 3 381.520 3.532 40 0 GHABHN Fc1cccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000019293821 570973304 /nfs/dbraw/zinc/97/33/04/570973304.db2.gz RSBDMLXXPRHKHD-VNQPRFMTSA-N 0 3 383.393 3.617 40 0 GHABHN CC(=O)N1CCc2nc([C@H]3CCCCN3C[C@@H](C)c3ccccc3)ncc2C1 ZINC000019456141 570987320 /nfs/dbraw/zinc/98/73/20/570987320.db2.gz HJSUJDQVXKNDCS-VGOFRKELSA-N 0 3 378.520 3.712 40 0 GHABHN CCCN1CCN(CC2CC2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502829 570993497 /nfs/dbraw/zinc/99/34/97/570993497.db2.gz NVFKXXMNUVUWOC-QHCPKHFHSA-N 0 3 377.532 3.872 40 0 GHABHN COc1cc(CN2Cc3ccccc3OC3(CCN(C)CC3)C2)cc(OC)c1 ZINC000019588414 571016471 /nfs/dbraw/zinc/01/64/71/571016471.db2.gz YTCGNIOHDOOZEE-UHFFFAOYSA-N 0 3 382.504 3.563 40 0 GHABHN C[C@H]1CCCN(c2ncc(CN(Cc3ccccc3)C3CCN(C)CC3)cn2)C1 ZINC000019715681 571037204 /nfs/dbraw/zinc/03/72/04/571037204.db2.gz QDZYTGBTPMEHHW-FQEVSTJZSA-N 0 3 393.579 3.809 40 0 GHABHN Cc1noc(C)c1CN1CCC2(C[C@@H](CC(=O)N(C)C)c3ccccc32)CC1 ZINC000096052708 571097590 /nfs/dbraw/zinc/09/75/90/571097590.db2.gz HRQFHJBEWNJYPR-GOSISDBHSA-N 0 3 381.520 3.791 40 0 GHABHN CCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063567 856409806 /nfs/dbraw/zinc/40/98/06/856409806.db2.gz ZKDZZVUTFVQKNB-UHFFFAOYSA-N 0 3 384.451 3.853 40 0 GHABHN CCN(CC)CC(=O)N1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccccc1C ZINC000019713698 856427926 /nfs/dbraw/zinc/42/79/26/856427926.db2.gz GUCKRKMPGHDBNU-ZJSXRUAMSA-N 0 3 399.579 3.599 40 0 GHABHN CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(CC[C@@H](C)c1ccccc1)C2 ZINC000247954372 880093061 /nfs/dbraw/zinc/09/30/61/880093061.db2.gz RZJOEOAPSTZYRM-VGOFRKELSA-N 0 3 378.520 3.712 40 0 GHABHN O=C(COc1ccc2ccccc2c1)N1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000006062811 204163054 /nfs/dbraw/zinc/16/30/54/204163054.db2.gz NAZVMRKYJCRHEF-BWAGFHJFSA-N 0 3 376.500 3.575 40 0 GHABHN COCCn1cc(CN2CCC(O)(c3ccccc3F)CC2)c2ccccc21 ZINC000012240473 204386457 /nfs/dbraw/zinc/38/64/57/204386457.db2.gz HFOBSMZETDNRFD-UHFFFAOYSA-N 0 3 382.479 3.910 40 0 GHABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(C)c(C)c3)CC1)C[C@@H]2O ZINC000012293502 204388664 /nfs/dbraw/zinc/38/86/64/204388664.db2.gz ODYPCQLMKNRRSJ-VXKWHMMOSA-N 0 3 397.515 3.696 40 0 GHABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(C)c(C)c3)CC1)O2 ZINC000012293505 204389585 /nfs/dbraw/zinc/38/95/85/204389585.db2.gz BDMRJLAITIJBIC-FGZHOGPDSA-N 0 3 397.515 3.696 40 0 GHABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)CCC2 ZINC000012330200 204399055 /nfs/dbraw/zinc/39/90/55/204399055.db2.gz AKXALPNEXAIYSV-FGZHOGPDSA-N 0 3 397.490 3.699 40 0 GHABHN COc1cc(C)c(CN2CCC([C@@H](NC(C)=O)c3ccccn3)CC2)cc1C ZINC000019567261 204657508 /nfs/dbraw/zinc/65/75/08/204657508.db2.gz ALEWXPPXXSTKKP-HSZRJFAPSA-N 0 3 381.520 3.796 40 0 GHABHN CC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN1CCN(C)CC1 ZINC000022576650 204784958 /nfs/dbraw/zinc/78/49/58/204784958.db2.gz DQVIJOCOLCADKE-HYBUGGRVSA-N 0 3 380.532 3.571 40 0 GHABHN CN1CCC(C(=O)N2CCC[C@@H](c3cccc(-c4ccc(F)cc4)n3)C2)CC1 ZINC000072350375 205330381 /nfs/dbraw/zinc/33/03/81/205330381.db2.gz UPVNLASLZHYCFK-LJQANCHMSA-N 0 3 381.495 3.936 40 0 GHABHN OCc1ccc(-c2cncc([C@H]3CCCN(CCOc4ccccc4)C3)n2)cc1 ZINC000072359619 205334830 /nfs/dbraw/zinc/33/48/30/205334830.db2.gz OYMPJZVIHICOCG-NRFANRHFSA-N 0 3 389.499 3.894 40 0 GHABHN Cc1nccn1-c1cccc([C@H]2CCCN(CCOc3ccc(F)cc3)C2)n1 ZINC000072379226 205340147 /nfs/dbraw/zinc/34/01/47/205340147.db2.gz NAJLGQHFJXGLJQ-SFHVURJKSA-N 0 3 380.467 3.973 40 0 GHABHN CCn1c2ccc(NC(=O)C3CCN(Cc4ccccc4)CC3)cc2sc1=O ZINC000225110558 206037180 /nfs/dbraw/zinc/03/71/80/206037180.db2.gz WTDJEHFEICQDIN-UHFFFAOYSA-N 0 3 395.528 3.934 40 0 GHABHN Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCCN2C ZINC000257292660 206175406 /nfs/dbraw/zinc/17/54/06/206175406.db2.gz QMMHLVFQVUMJCG-UWJYYQICSA-N 0 3 384.549 3.993 40 0 GHABHN COc1cccc(CN2CCC(c3n[nH]cc3C(=O)N3CCCCCC3)CC2)c1 ZINC000257237774 206163946 /nfs/dbraw/zinc/16/39/46/206163946.db2.gz HIDDQLRJONUZER-UHFFFAOYSA-N 0 3 396.535 3.814 40 0 GHABHN CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cnccn1 ZINC000257341944 206182167 /nfs/dbraw/zinc/18/21/67/206182167.db2.gz ZMNAQLPEQKITAI-CFKFVRPNSA-N 0 3 390.531 3.565 40 0 GHABHN CNC(=O)[C@]1(c2ccccn2)CCCN(Cc2ccccc2OC2CCCC2)C1 ZINC000257322588 206179447 /nfs/dbraw/zinc/17/94/47/206179447.db2.gz WGPIEHICQIFNIF-XMMPIXPASA-N 0 3 393.531 3.683 40 0 GHABHN c1cc(-c2ccc3nc([C@@H]4CCN(Cc5ccc6c(c5)OCO6)C4)nn3c2)ccn1 ZINC000306144088 206207051 /nfs/dbraw/zinc/20/70/51/206207051.db2.gz YVTZYCBDAHXZQV-LJQANCHMSA-N 0 3 399.454 3.510 40 0 GHABHN COc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4cccc(F)c4)C2)OC3)cc1 ZINC000306123825 206196504 /nfs/dbraw/zinc/19/65/04/206196504.db2.gz AXZIXLFHTJMPPC-HSZRJFAPSA-N 0 3 393.462 3.873 40 0 GHABHN COc1ccc(CN2CC[C@]3(C2)CN(Cc2cccnc2)c2cccnc23)cc1 ZINC000306126157 206196862 /nfs/dbraw/zinc/19/68/62/206196862.db2.gz DONRQFITDPYLNX-DEOSSOPVSA-N 0 3 386.499 3.649 40 0 GHABHN COc1ccc(CN2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)cc1 ZINC000306130247 206198323 /nfs/dbraw/zinc/19/83/23/206198323.db2.gz IZYVSAWKRKLLCE-NRFANRHFSA-N 0 3 381.501 3.795 40 0 GHABHN O=C(NCCSCc1ccco1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039761726 534401119 /nfs/dbraw/zinc/40/11/19/534401119.db2.gz MXMQMHSXNJEJGR-UHFFFAOYSA-N 0 3 376.497 3.680 40 0 GHABHN O=C([C@@H]1CCCN(Cc2ccncc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000005813982 526469414 /nfs/dbraw/zinc/46/94/14/526469414.db2.gz ZAJBBSLDNHIDGQ-HSZRJFAPSA-N 0 3 377.532 3.775 40 0 GHABHN CN(C)[C@H]1CCN(C(=O)c2ccc3ccc(N(C)c4ccc(F)cc4)n3c2)C1 ZINC000096146193 570213855 /nfs/dbraw/zinc/21/38/55/570213855.db2.gz AMYFRHDMCWTMSX-FQEVSTJZSA-N 0 3 380.467 3.622 40 0 GHABHN O=C(Cc1ccc(F)cc1)N1CC[C@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216402 570219429 /nfs/dbraw/zinc/21/94/29/570219429.db2.gz DHXZHRLSRDTDQR-XMMPIXPASA-N 0 3 396.506 3.762 40 0 GHABHN Cc1ccccc1CN1CC[C@]2(C1)COCc1c(C)nc(NCC3CC3)nc12 ZINC000096244515 570223723 /nfs/dbraw/zinc/22/37/23/570223723.db2.gz JKQIGUSFTJLNBT-QHCPKHFHSA-N 0 3 378.520 3.589 40 0 GHABHN CCN1CCN(c2ccc(NC(=O)c3cc4ccccc4c(=O)s3)cc2)CC1 ZINC000585263559 570232087 /nfs/dbraw/zinc/23/20/87/570232087.db2.gz NFHRHZGHRYAGSV-UHFFFAOYSA-N 0 3 393.512 3.656 40 0 GHABHN CC[C@H]1[C@H](OC(=O)CC(O)(c2ccccc2)c2ccccc2)C2CCN1CC2 ZINC000001641783 570266493 /nfs/dbraw/zinc/26/64/93/570266493.db2.gz LGCQVJSQUJNJEC-JTHBVZDNSA-N 0 3 379.500 3.729 40 0 GHABHN O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3ccco3)[C@H]2C(=O)N1c1ccccc1 ZINC000100563670 570273253 /nfs/dbraw/zinc/27/32/53/570273253.db2.gz CWZHOIMVEOWUSX-QRVBRYPASA-N 0 3 394.814 3.984 40 0 GHABHN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NC(C)C)CC2)cc1 ZINC000039761713 570445516 /nfs/dbraw/zinc/44/55/16/570445516.db2.gz YQXYYOOCGCTCEA-UHFFFAOYSA-N 0 3 393.531 3.984 40 0 GHABHN Cc1ccc(CN2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1 ZINC000039758101 570449308 /nfs/dbraw/zinc/44/93/08/570449308.db2.gz AVXMFYRZPAIAGI-UHFFFAOYSA-N 0 3 395.522 3.695 40 0 GHABHN Cc1c(C)n(C[C@@H](O)CN(C)Cc2ccc(OCCCO)cc2)c2ccccc12 ZINC000257326098 570487060 /nfs/dbraw/zinc/48/70/60/570487060.db2.gz WVUTXZQDDGBSNA-NRFANRHFSA-N 0 3 396.531 3.512 40 0 GHABHN COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000030946431 570501691 /nfs/dbraw/zinc/50/16/91/570501691.db2.gz BWBOTMDLDPCKIO-QGZVFWFLSA-N 0 3 386.879 3.977 40 0 GHABHN CN1CCC(Oc2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2)CC1 ZINC000225327878 570564830 /nfs/dbraw/zinc/56/48/30/570564830.db2.gz VLZXRCGAHPHSLT-UHFFFAOYSA-N 0 3 394.515 3.847 40 0 GHABHN Cn1c(SCCN2CCCCC2)nnc1-c1ccccc1Br ZINC000004130170 570617043 /nfs/dbraw/zinc/61/70/43/570617043.db2.gz QVNPHWFVUULIIZ-UHFFFAOYSA-N 0 3 381.343 3.823 40 0 GHABHN Cc1cc2cc(C(=O)N3CCc4nc(C5CCN(C)CC5)ncc4C3)ccc2o1 ZINC000019126416 570957963 /nfs/dbraw/zinc/95/79/63/570957963.db2.gz CCGNCOSGKQUGHL-UHFFFAOYSA-N 0 3 390.487 3.539 40 0 GHABHN Cc1nn([C@H](C)CC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c(C)c1Cl ZINC000019136446 570958913 /nfs/dbraw/zinc/95/89/13/570958913.db2.gz GGNHOLIDFMZPMA-KDOFPFPSSA-N 0 3 376.932 3.832 40 0 GHABHN Fc1cccc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000019293822 570973151 /nfs/dbraw/zinc/97/31/51/570973151.db2.gz RSBDMLXXPRHKHD-CWRNSKLLSA-N 0 3 383.393 3.617 40 0 GHABHN CCn1nc2c(c1C(=O)N(CCc1ccccc1)C1CCN(C)CC1)CCCC2 ZINC000019524084 570996512 /nfs/dbraw/zinc/99/65/12/570996512.db2.gz ITZPOIVOAAUIGX-UHFFFAOYSA-N 0 3 394.563 3.561 40 0 GHABHN Cc1nn(C[C@@H](C)C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c(C)c1C ZINC000019556986 571004045 /nfs/dbraw/zinc/00/40/45/571004045.db2.gz XLVZXCAXOWFKMB-QGZVFWFLSA-N 0 3 398.551 3.948 40 0 GHABHN Cc1oc2c(c1C(=O)N1CCCC[C@H]1c1ncc3c(n1)CCN(C)C3)CCCC2 ZINC000019581246 571013078 /nfs/dbraw/zinc/01/30/78/571013078.db2.gz MJEGLPCPLOKUGY-IBGZPJMESA-N 0 3 394.519 3.612 40 0 GHABHN Cc1nonc1-c1csc(NC(=O)c2ccccc2CN2CCCCC2)n1 ZINC000019654723 571022799 /nfs/dbraw/zinc/02/27/99/571022799.db2.gz DQJZQHHJALJHLA-UHFFFAOYSA-N 0 3 383.477 3.740 40 0 GHABHN O=C(Nc1ccc([C@@H](O)CN2CCCCC2)cc1)c1cn2cc(Cl)ccc2n1 ZINC000019716736 571038708 /nfs/dbraw/zinc/03/87/08/571038708.db2.gz KDELAMYNYQCEQB-IBGZPJMESA-N 0 3 398.894 3.759 40 0 GHABHN Cn1cc(-c2cc(C(=O)NC(C)(C)CN3CCCCC3)c3ccccc3n2)cn1 ZINC000019717665 571040624 /nfs/dbraw/zinc/04/06/24/571040624.db2.gz WNERXIDJTMSLNB-UHFFFAOYSA-N 0 3 391.519 3.630 40 0 GHABHN O=C(C[C@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052798 571097605 /nfs/dbraw/zinc/09/76/05/571097605.db2.gz RYBDPVDWMBGRJT-FQEVSTJZSA-N 0 3 394.515 3.550 40 0 GHABHN Cn1nc(-c2ccco2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)C1CCCCC1 ZINC000008635404 291134149 /nfs/dbraw/zinc/13/41/49/291134149.db2.gz OOMQJNUUWNSHSG-OTWHNJEPSA-N 0 3 396.535 3.554 40 0 biogenic,in-vitro GHABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(C)c(C)c3)CC1)O2 ZINC000012293512 204388855 /nfs/dbraw/zinc/38/88/55/204388855.db2.gz BDMRJLAITIJBIC-VXKWHMMOSA-N 0 3 397.515 3.696 40 0 GHABHN Nc1cc(-c2c[nH]nc2[C@@H]2CCCN(CCCOc3ccccc3)C2)ccn1 ZINC000072356490 205332556 /nfs/dbraw/zinc/33/25/56/205332556.db2.gz RNIWFBGMBBCTIN-GOSISDBHSA-N 0 3 377.492 3.702 40 0 GHABHN CCN(CC)C(=O)CN1CCC[C@H]1c1cc(Nc2ncc(C)s2)cc(C)n1 ZINC000072372479 205338619 /nfs/dbraw/zinc/33/86/19/205338619.db2.gz JXKFMORYZAPRSB-SFHVURJKSA-N 0 3 387.553 3.904 40 0 GHABHN COc1ccc2c(c1)C(=O)N[C@@]1(CCN([C@H](C)Cc3ccc(F)cc3)C1)CC2 ZINC000072395782 205343521 /nfs/dbraw/zinc/34/35/21/205343521.db2.gz BNBNWBMDHVTXPC-WAIKUNEKSA-N 0 3 382.479 3.586 40 0 GHABHN COc1cccc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000224836600 206028771 /nfs/dbraw/zinc/02/87/71/206028771.db2.gz MMYJEDGLNLEYRB-GOSISDBHSA-N 0 3 382.504 3.765 40 0 GHABHN CN(C)CCOc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cn1 ZINC000225934937 206085794 /nfs/dbraw/zinc/08/57/94/206085794.db2.gz PKUPCDIJQBICCT-UHFFFAOYSA-N 0 3 389.499 3.967 40 0 GHABHN COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccccc2Cl)C3)cc1 ZINC000096112880 206118047 /nfs/dbraw/zinc/11/80/47/206118047.db2.gz BORDFKOMDHQRIF-SFHVURJKSA-N 0 3 383.879 3.901 40 0 biogenic,in-vitro GHABHN Cc1ncsc1-c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C)ccn1 ZINC000257247433 206166665 /nfs/dbraw/zinc/16/66/65/206166665.db2.gz IYZWXXDIEINPQA-JWVYWZTKSA-N 0 3 382.533 3.601 40 0 GHABHN CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cccnc2NC)C1 ZINC000257245099 206166814 /nfs/dbraw/zinc/16/68/14/206166814.db2.gz IOBMWTIKOJVVCP-CQSZACIVSA-N 0 3 380.517 3.687 40 0 GHABHN CNc1ncccc1CN1CC[C@H](Cc2cccc(-c3c(C)noc3C)n2)C1 ZINC000257251388 206166984 /nfs/dbraw/zinc/16/69/84/206166984.db2.gz JQNLALNZGLVLFM-QGZVFWFLSA-N 0 3 377.492 3.855 40 0 GHABHN COc1ccccc1-c1cnc2n1C[C@@]1(CCN(Cc3cnn(C(C)C)c3)C1)C2 ZINC000306138356 206205535 /nfs/dbraw/zinc/20/55/35/206205535.db2.gz RVUPTIZMUJYJRE-QHCPKHFHSA-N 0 3 391.519 3.785 40 0 GHABHN COc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc(F)cc4)C2)OC3)c1 ZINC000306125878 206196218 /nfs/dbraw/zinc/19/62/18/206196218.db2.gz DENGQRAYJLWPOL-QHCPKHFHSA-N 0 3 393.462 3.873 40 0 GHABHN Cc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cn(CC(C)C)nc23)s1 ZINC000306125126 206196474 /nfs/dbraw/zinc/19/64/74/206196474.db2.gz CHUGOUCNHNZWFA-UHFFFAOYSA-N 0 3 386.565 3.528 40 0 GHABHN CN1Cc2nnc(-c3cccs3)n2C2(CCN(Cc3ccsc3)CC2)C1 ZINC000306129214 206200149 /nfs/dbraw/zinc/20/01/49/206200149.db2.gz HXTHYFANOZAYEM-UHFFFAOYSA-N 0 3 385.562 3.505 40 0 GHABHN COC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1C ZINC000039758105 534270076 /nfs/dbraw/zinc/27/00/76/534270076.db2.gz CGQTVTHHZYXAMJ-UHFFFAOYSA-N 0 3 384.451 3.771 40 0 GHABHN CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(CC3CC3)C[C@H]21 ZINC000514290363 560029802 /nfs/dbraw/zinc/02/98/02/560029802.db2.gz YQNOLMXJBITYHX-CTNGQTDRSA-N 0 3 384.426 3.559 40 0 biogenic,in-vitro GHABHN C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@]12Cc1c(c3c(cc1[O-])CNC3=[NH2+])O2 ZINC000252516345 560040749 /nfs/dbraw/zinc/04/07/49/560040749.db2.gz SDIGNZADDDFEPI-TWDUYNABSA-N 0 3 384.520 3.728 40 0 biogenic,in-vitro GHABHN COc1cccc(CN2CCC[C@@]3(CCN(Cc4cccnc4OC)C3)C2)c1 ZINC000096215589 570219386 /nfs/dbraw/zinc/21/93/86/570219386.db2.gz UHLXVUUQIDOCCO-HSZRJFAPSA-N 0 3 381.520 3.587 40 0 GHABHN Cc1cccc(CN2CC[C@]3(C2)COCc2cnc(NCc4ccco4)nc23)c1 ZINC000096244221 570223554 /nfs/dbraw/zinc/22/35/54/570223554.db2.gz CCIMVUOBAWXKFC-QHCPKHFHSA-N 0 3 390.487 3.664 40 0 GHABHN CC(=O)Nc1ccc(CN2CCC(O)(COc3cccc(Cl)c3)CC2)cc1 ZINC000585270451 570239446 /nfs/dbraw/zinc/23/94/46/570239446.db2.gz KOBKBWPRQFRSSC-UHFFFAOYSA-N 0 3 388.895 3.704 40 0 GHABHN O=C1C2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C(=O)N1c1ccccc1 ZINC000101996592 570286448 /nfs/dbraw/zinc/28/64/48/570286448.db2.gz CTKZRGNTAQNXDM-QRVBRYPASA-N 0 3 376.437 3.799 40 0 GHABHN CN(CCOC(=O)c1cccc(I)c1)Cc1ccccc1 ZINC000045221503 570646578 /nfs/dbraw/zinc/64/65/78/570646578.db2.gz NLBXKKWIOHBAJC-UHFFFAOYSA-N 0 3 395.240 3.580 40 0 GHABHN CC1CCN(CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000013674479 570771789 /nfs/dbraw/zinc/77/17/89/570771789.db2.gz RFRRPKBORHOIQB-UHFFFAOYSA-N 0 3 379.353 3.535 40 0 GHABHN CCCC[C@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000020142172 570941907 /nfs/dbraw/zinc/94/19/07/570941907.db2.gz UBVNPEANJCLKBS-JOCHJYFZSA-N 0 3 396.583 3.707 40 0 GHABHN Cc1cnccc1-c1c[nH]nc1[C@H]1CCCCN1C(=O)CN1CCCCCC1 ZINC000019239569 570968716 /nfs/dbraw/zinc/96/87/16/570968716.db2.gz OKECKNZPYXADFB-HXUWFJFHSA-N 0 3 381.524 3.710 40 0 GHABHN CCCN1CCN(CC2CC2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503264 570993570 /nfs/dbraw/zinc/99/35/70/570993570.db2.gz ISJFPIHINTYKGV-QFIPXVFZSA-N 0 3 377.532 3.872 40 0 GHABHN CCCOc1ccccc1CN1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019525169 570996945 /nfs/dbraw/zinc/99/69/45/570996945.db2.gz UONNCGXVIHAYIO-NRFANRHFSA-N 0 3 380.536 3.981 40 0 GHABHN COc1cccc(CN2CCC[C@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)c1 ZINC000019565102 571007386 /nfs/dbraw/zinc/00/73/86/571007386.db2.gz COAYCCVUFLGWGO-AWEZNQCLSA-N 0 3 391.397 3.531 40 0 GHABHN CNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2ccccn2)C1 ZINC000019591757 571019018 /nfs/dbraw/zinc/01/90/18/571019018.db2.gz BVETXYIOKUQKSV-QHCPKHFHSA-N 0 3 391.540 3.991 40 0 GHABHN CNc1cc(C(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)CN3C)ccn1 ZINC000019592072 571019274 /nfs/dbraw/zinc/01/92/74/571019274.db2.gz KCXUKWZVPSXCSO-VWPQPMDRSA-N 0 3 396.510 3.745 40 0 GHABHN O=C(Nc1nnc(C2CCCCC2)s1)C1CCN(CCc2ccccn2)CC1 ZINC000019661189 571025856 /nfs/dbraw/zinc/02/58/56/571025856.db2.gz YDKSHOXIVXPGFS-UHFFFAOYSA-N 0 3 399.564 3.874 40 0 GHABHN CNc1nc([C@H]2CCCCN2CC2CCCCC2)nc2c1CN(C(C)=O)CC2 ZINC000019711615 571035543 /nfs/dbraw/zinc/03/55/43/571035543.db2.gz HREWOHXEDYNDTN-HXUWFJFHSA-N 0 3 385.556 3.530 40 0 GHABHN Fc1ccc(CN2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)cc1 ZINC000096038272 571097112 /nfs/dbraw/zinc/09/71/12/571097112.db2.gz FJOSLUXCSQYCHZ-UHFFFAOYSA-N 0 3 379.483 3.848 40 0 GHABHN O=C(C[C@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21)NC1CC1 ZINC000096052992 571097697 /nfs/dbraw/zinc/09/76/97/571097697.db2.gz QMRZLXYTVVGWCW-IBGZPJMESA-N 0 3 375.516 3.771 40 0 GHABHN COc1c(C)cccc1CN1CCC[C@H]([C@@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000019235945 856420991 /nfs/dbraw/zinc/42/09/91/856420991.db2.gz OEQRTXAFJKWUBA-SIKLNZKXSA-N 0 3 393.531 3.878 40 0 GHABHN CCCc1ncc(CN2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@H]3C2)cn1 ZINC000248195403 870313379 /nfs/dbraw/zinc/31/33/79/870313379.db2.gz OXYYHSFARQYGBZ-GREBRCKQSA-N 0 3 381.520 3.557 40 0 GHABHN CN(C)CCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2cccnc2)n1 ZINC000328997306 203769606 /nfs/dbraw/zinc/76/96/06/203769606.db2.gz JOKWLNDWKPAXGX-UHFFFAOYSA-N 0 3 390.535 3.975 40 0 GHABHN CCC(=O)c1ccc(OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000004320412 204038242 /nfs/dbraw/zinc/03/82/42/204038242.db2.gz CTSCDVGXOUUSJP-JOCHJYFZSA-N 0 3 381.516 3.974 40 0 GHABHN O=C(COc1ccccc1)Nc1nc2ccccc2n1CCN1CCCCC1 ZINC000004941677 204094665 /nfs/dbraw/zinc/09/46/65/204094665.db2.gz OHZIRONIADQPSI-UHFFFAOYSA-N 0 3 378.476 3.540 40 0 GHABHN Cc1ccc2nc(C(F)(F)F)n(CC(=O)NC(C)(C)CN3CCCCC3)c2c1 ZINC000035322687 204168004 /nfs/dbraw/zinc/16/80/04/204168004.db2.gz PCZXJPFOQMRGFO-UHFFFAOYSA-N 0 3 396.457 3.744 40 0 GHABHN CCCc1ncc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2ccc(OC)cc2)cn1 ZINC000012238601 204386382 /nfs/dbraw/zinc/38/63/82/204386382.db2.gz KYXYISPFKHVJPW-DETIRCLXSA-N 0 3 381.520 3.557 40 0 GHABHN COc1cc2c(cc1CN1CCC(NC(C)=O)(c3ccc(F)cc3)CC1)CCC2 ZINC000012292958 204388780 /nfs/dbraw/zinc/38/87/80/204388780.db2.gz APIOCSKPBQTSDV-UHFFFAOYSA-N 0 3 396.506 3.950 40 0 GHABHN COc1cccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)c1 ZINC000012330042 204398508 /nfs/dbraw/zinc/39/85/08/204398508.db2.gz OAHMNRCHVPFMQI-FGZHOGPDSA-N 0 3 397.515 3.696 40 0 GHABHN Cc1cc2nc(C3CCN(Cc4ccncc4)CC3)cc(C(F)(F)F)n2n1 ZINC000072340754 205327583 /nfs/dbraw/zinc/32/75/83/205327583.db2.gz OBQHCWKSRFINJZ-UHFFFAOYSA-N 0 3 375.398 3.831 40 0 GHABHN COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3ccccn3)C2)cc1 ZINC000072345974 205329551 /nfs/dbraw/zinc/32/95/51/205329551.db2.gz SXUDYMCSZFIBKP-QGZVFWFLSA-N 0 3 375.476 3.509 40 0 GHABHN C[C@@H]1[C@@H](C(=O)NCc2ccc(F)cc2)CC=CCN1Cc1cccc2c1OCO2 ZINC000072391886 205340719 /nfs/dbraw/zinc/34/07/19/205340719.db2.gz GZWMBXRICSWDQA-UZLBHIALSA-N 0 3 396.462 3.637 40 0 GHABHN Cc1ccc([C@]2(O)CC[C@H]3CN(Cc4c[nH]nc4-c4cccs4)C[C@H]32)nc1 ZINC000072392562 205341106 /nfs/dbraw/zinc/34/11/06/205341106.db2.gz AMQPKDAVORRCIR-XPIZARPCSA-N 0 3 380.517 3.571 40 0 GHABHN Cc1nn(C)cc1CN1CCC(c2cccc(Nc3cccc(C)n3)n2)CC1 ZINC000257298578 206175450 /nfs/dbraw/zinc/17/54/50/206175450.db2.gz RMIUBGVSCCMNDI-UHFFFAOYSA-N 0 3 376.508 3.950 40 0 GHABHN O=C(Cn1ccnc1)N1CCC[C@@H]2[C@H]1CCCCN2Cc1ccc(Cl)cc1 ZINC000257253748 206167715 /nfs/dbraw/zinc/16/77/15/206167715.db2.gz KACXOZWUXODWRS-WOJBJXKFSA-N 0 3 386.927 3.582 40 0 GHABHN COc1ccc(CN2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 ZINC000306129406 206198641 /nfs/dbraw/zinc/19/86/41/206198641.db2.gz ICDATFRAJWNURO-HXUWFJFHSA-N 0 3 385.471 3.789 40 0 GHABHN COc1ccc(CN2CCC3(C[C@H](CN4CCC(F)(F)CC4)O3)CC2)c(F)c1 ZINC000306127796 206198688 /nfs/dbraw/zinc/19/86/88/206198688.db2.gz GHYPKKJRJKCAQW-GOSISDBHSA-N 0 3 398.469 3.689 40 0 GHABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)Cc1c(F)cccc1Cl ZINC000010544241 529199735 /nfs/dbraw/zinc/19/97/35/529199735.db2.gz IZVBBSIIBSMXNL-AWEZNQCLSA-N 0 3 376.925 3.553 40 0 GHABHN COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCCN2CC(C)C)cc1 ZINC000019766475 570217556 /nfs/dbraw/zinc/21/75/56/570217556.db2.gz AUWWTDKRSLSOOU-OAQYLSRUSA-N 0 3 396.535 3.907 40 0 GHABHN Cc1ccc(CN2CCC[C@]3(CCN(C(=O)c4ccc(N(C)C)cc4)C3)C2)o1 ZINC000096215930 570219529 /nfs/dbraw/zinc/21/95/29/570219529.db2.gz YGJKVHDYJPEVRZ-QHCPKHFHSA-N 0 3 381.520 3.782 40 0 GHABHN CN(C)[C@@H]1CCN(C(=O)c2cc(-c3ccn(C4CCCC4)n3)n3ccccc23)C1 ZINC000096266713 570227335 /nfs/dbraw/zinc/22/73/35/570227335.db2.gz IXIDBWSYQZYVEZ-GOSISDBHSA-N 0 3 391.519 3.694 40 0 GHABHN Cc1cnc(Nc2ccnc(CC3CCN(Cc4cccnc4)CC3)n2)s1 ZINC000585262524 570230320 /nfs/dbraw/zinc/23/03/20/570230320.db2.gz CUTNGJVGMAGTDB-UHFFFAOYSA-N 0 3 380.521 3.835 40 0 GHABHN CC(C)(C)[C@H]1CC[C@H](N2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287258 570256401 /nfs/dbraw/zinc/25/64/01/570256401.db2.gz LQPZUDHKDXZZFE-JLMWRMLUSA-N 0 3 379.516 3.873 40 0 GHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1cccc(C)c1 ZINC000020634781 570273576 /nfs/dbraw/zinc/27/35/76/570273576.db2.gz OFCWNDNTXNWZQF-LJQANCHMSA-N 0 3 392.455 3.824 40 0 GHABHN CCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000039772371 570446560 /nfs/dbraw/zinc/44/65/60/570446560.db2.gz GNHXSOCRMIYHSE-UHFFFAOYSA-N 0 3 393.531 3.986 40 0 GHABHN Cc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000004231335 570622320 /nfs/dbraw/zinc/62/23/20/570622320.db2.gz BTRVAYZOBLMGEM-UHFFFAOYSA-N 0 3 396.466 3.571 40 0 GHABHN Fc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019332603 570925276 /nfs/dbraw/zinc/92/52/76/570925276.db2.gz UMPKSFWBTFBFRL-OAQYLSRUSA-N 0 3 398.530 3.577 40 0 GHABHN c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019369598 570925391 /nfs/dbraw/zinc/92/53/91/570925391.db2.gz ZMSPJIQWFOCDOI-QFIPXVFZSA-N 0 3 394.567 3.828 40 0 GHABHN c1csc(CN2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019343424 570977197 /nfs/dbraw/zinc/97/71/97/570977197.db2.gz VHWRQBDGNAMCPS-MRXNPFEDSA-N 0 3 394.548 3.908 40 0 GHABHN COc1ccc(CN2CCC[C@@H](c3nn(C)c4nccnc34)C2)cc1OC(C)C ZINC000019450489 570985030 /nfs/dbraw/zinc/98/50/30/570985030.db2.gz SFEDVNZBNKFRSO-QGZVFWFLSA-N 0 3 395.507 3.539 40 0 GHABHN CCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1 ZINC000019503691 570993611 /nfs/dbraw/zinc/99/36/11/570993611.db2.gz MUEBAMAWGUGYHH-GOSISDBHSA-N 0 3 378.476 3.742 40 0 GHABHN CCc1[nH]nc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)c1C ZINC000019520969 570994196 /nfs/dbraw/zinc/99/41/96/570994196.db2.gz QSYFZXLTCNFODL-DWLFOUALSA-N 0 3 380.536 3.763 40 0 GHABHN CN1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1n[nH]c2c1CCCC2 ZINC000019589100 571016319 /nfs/dbraw/zinc/01/63/19/571016319.db2.gz CCMHTLHTDAZRDH-WPYKKVEZSA-N 0 3 392.547 3.771 40 0 GHABHN COc1ccccc1/C=C/CN1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019590309 571017514 /nfs/dbraw/zinc/01/75/14/571017514.db2.gz DOSUACGESOKBGZ-OEAKIKGJSA-N 0 3 378.520 3.714 40 0 GHABHN COc1ccccc1CN1CCC[C@H]([C@@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000019570209 856421164 /nfs/dbraw/zinc/42/11/64/856421164.db2.gz AOBDGEUISKTNJI-SIKLNZKXSA-N 0 3 379.504 3.570 40 0 GHABHN Cc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044852836 856442297 /nfs/dbraw/zinc/44/22/97/856442297.db2.gz DZYSEYKJUVIBOO-QUCCMNQESA-N 0 3 384.495 3.930 40 0 GHABHN COC(=O)c1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccco2)c1 ZINC000004888025 204087550 /nfs/dbraw/zinc/08/75/50/204087550.db2.gz FNISCRSOPZRMQU-YQQQUEKLSA-N 0 3 397.475 3.773 40 0 GHABHN COc1cccc(-c2n[nH]cc2CN2CCC(O)(c3ccccc3OC)CC2)c1 ZINC000012147586 204376360 /nfs/dbraw/zinc/37/63/60/204376360.db2.gz SUAUQPBHQQRYJL-UHFFFAOYSA-N 0 3 393.487 3.578 40 0 GHABHN CC(=O)NC1(c2ccccc2F)CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000012344411 204398716 /nfs/dbraw/zinc/39/87/16/204398716.db2.gz YQNLMJAFTUSGCR-UHFFFAOYSA-N 0 3 392.478 3.639 40 0 GHABHN COc1ccc2nc(Cl)c(CNC3CCCC3)c(N3CCOCC3)c2c1 ZINC000036734984 205022257 /nfs/dbraw/zinc/02/22/57/205022257.db2.gz BTOBFPMYBFESNO-UHFFFAOYSA-N 0 3 375.900 3.766 40 0 GHABHN C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000057136964 205154462 /nfs/dbraw/zinc/15/44/62/205154462.db2.gz KBOQISMLELHQDA-QGZVFWFLSA-N 0 3 380.488 3.547 40 0 GHABHN COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000072345956 205329638 /nfs/dbraw/zinc/32/96/38/205329638.db2.gz YUXJZTQNZYHRKH-GOSISDBHSA-N 0 3 375.476 3.509 40 0 GHABHN CN1CCC(C(=O)N2CCC(c3cccc(Cc4ccccc4F)n3)CC2)CC1 ZINC000072350395 205330446 /nfs/dbraw/zinc/33/04/46/205330446.db2.gz MCOZBPICTDLVKJ-UHFFFAOYSA-N 0 3 395.522 3.859 40 0 GHABHN Cc1nc([C@H]2CCCN(C(C)C)C2)nc2c1CC(=O)N2CCc1ccccc1F ZINC000072371925 205335949 /nfs/dbraw/zinc/33/59/49/205335949.db2.gz OGQNZTIQRQBDAS-SFHVURJKSA-N 0 3 396.510 3.644 40 0 GHABHN CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(CC[C@H](C)c2ccccc2)C3)C1 ZINC000072390914 205342346 /nfs/dbraw/zinc/34/23/46/205342346.db2.gz VMDYUJXHFVICHB-GHTZIAJQSA-N 0 3 392.547 3.754 40 0 GHABHN COc1cc(C)c(S(=O)(=O)NCCCN2CCC(C)CC2)cc1C(C)C ZINC000225113158 206037122 /nfs/dbraw/zinc/03/71/22/206037122.db2.gz BKGCSCCPPAHSDW-UHFFFAOYSA-N 0 3 382.570 3.527 40 0 GHABHN CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ccnc(Cc2cccc(F)c2)c1 ZINC000257302380 206174854 /nfs/dbraw/zinc/17/48/54/206174854.db2.gz SCSGUHJYROQEMA-GMAHTHKFSA-N 0 3 381.495 3.900 40 0 GHABHN O=C(CN1CCCCCC1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257307530 206177405 /nfs/dbraw/zinc/17/74/05/206177405.db2.gz SZCDBRMAVFMFHP-HXUWFJFHSA-N 0 3 381.520 3.847 40 0 GHABHN Cc1ccc(CN2CC[C@@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc1C ZINC000257235759 206164775 /nfs/dbraw/zinc/16/47/75/206164775.db2.gz GZHHFDPZOAMIDN-OAQYLSRUSA-N 0 3 394.563 3.767 40 0 GHABHN CC(C)c1cccc(C(=O)N2CCO[C@]3(CCCC[C@@H]3[NH+]3CCCC3)C2)c1[O-] ZINC000306124318 206196255 /nfs/dbraw/zinc/19/62/55/206196255.db2.gz BMOWRXCBCTWGEJ-NZQKXSOJSA-N 0 3 386.536 3.765 40 0 GHABHN COc1ccccc1-c1cnc2n1C[C@@]1(CCN(Cc3scnc3C)C1)C2 ZINC000306124387 206196946 /nfs/dbraw/zinc/19/69/46/206196946.db2.gz BOFBTERMWXMKJC-NRFANRHFSA-N 0 3 380.517 3.772 40 0 GHABHN Fc1ccccc1-c1cnc2nnc(C3CCN(Cc4ccco4)CC3)n2c1 ZINC000306130590 206201426 /nfs/dbraw/zinc/20/14/26/206201426.db2.gz JKJUGIBELIMQLJ-UHFFFAOYSA-N 0 3 377.423 3.903 40 0 GHABHN Cc1cc2nc(C3CCN(Cc4[nH]c5ccc(F)cc5c4C)CC3)cc(N)n2n1 ZINC000012121569 221154039 /nfs/dbraw/zinc/15/40/39/221154039.db2.gz QFORPKKLAJNVDT-UHFFFAOYSA-N 0 3 392.482 3.928 40 0 GHABHN O=C(CN1CCN(C2CCCCC2)CC1)Nc1ccccc1N1CCCCC1 ZINC000022457885 136204023 /nfs/dbraw/zinc/20/40/23/136204023.db2.gz KATBYCBPLVGOSL-UHFFFAOYSA-N 0 3 384.568 3.566 40 0 GHABHN CN(Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000096220983 570220074 /nfs/dbraw/zinc/22/00/74/570220074.db2.gz QOTMFDATKSQDMX-NRFANRHFSA-N 0 3 394.515 3.671 40 0 GHABHN CN1c2ccccc2C(c2ccccc2F)=NC[C@@H]1CNC(=O)c1ccsc1 ZINC000000967961 570232238 /nfs/dbraw/zinc/23/22/38/570232238.db2.gz NPGABYHTDVGGJK-MRXNPFEDSA-N 0 3 393.487 3.973 40 0 in-man GHABHN Cc1cc(C)c2[nH]c(=O)c(CNC[C@@H](O)COc3c(C)cccc3C)cc2c1 ZINC000585283069 570251327 /nfs/dbraw/zinc/25/13/27/570251327.db2.gz BGXPAOGDYIRHBE-HXUWFJFHSA-N 0 3 380.488 3.704 40 0 GHABHN OCCN(CCO)CCN1c2ccccc2Sc2c3ccccc3ccc21 ZINC000001690554 570267130 /nfs/dbraw/zinc/26/71/30/570267130.db2.gz XSHMXGDZDMXSLO-UHFFFAOYSA-N 0 3 380.513 3.729 40 0 GHABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccc(F)c2)CC1 ZINC000100750229 570276380 /nfs/dbraw/zinc/27/63/80/570276380.db2.gz LGAFSCHTIDYXOA-HFJQGTKSSA-N 0 3 383.511 3.989 40 0 GHABHN CC(C(=O)N[C@H]1CCCC[C@@H]1C)S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000040105985 570457612 /nfs/dbraw/zinc/45/76/12/570457612.db2.gz GEMHHPVBFHHPKK-ZENOOKHLSA-N 0 3 391.455 3.704 40 0 GHABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 ZINC000000880597 570508039 /nfs/dbraw/zinc/50/80/39/570508039.db2.gz LNPGJVZOEFYWPC-UHFFFAOYSA-N 0 3 394.544 3.597 40 0 GHABHN CCN(CC)C(=O)CN1CCC(n2c(C)nc3cc(C(F)(F)F)ccc32)CC1 ZINC000004092436 570618511 /nfs/dbraw/zinc/61/85/11/570618511.db2.gz DJXFIKHLRZDYSF-UHFFFAOYSA-N 0 3 396.457 3.869 40 0 GHABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000013644917 570663710 /nfs/dbraw/zinc/66/37/10/570663710.db2.gz MPPRMKQPZPPZQF-ACRUOGEOSA-N 0 3 388.398 3.877 40 0 GHABHN COc1cc2c(cc1CN1C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C1)CCC2 ZINC000019237706 570967466 /nfs/dbraw/zinc/96/74/66/570967466.db2.gz FCUHGXMYLOVHIL-LEEZEASISA-N 0 3 378.516 3.617 40 0 GHABHN Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1CN(Cc1ccccc1OC1CCCC1)C2 ZINC000019291412 570972276 /nfs/dbraw/zinc/97/22/76/570972276.db2.gz PNBWHCQHNMFUBS-VXMMSVGHSA-N 0 3 395.547 3.861 40 0 GHABHN CC(=O)N1CCc2nc([C@H]3CCCCN3C[C@H](C)c3ccccc3)ncc2C1 ZINC000019456139 570987374 /nfs/dbraw/zinc/98/73/74/570987374.db2.gz HJSUJDQVXKNDCS-HTAPYJJXSA-N 0 3 378.520 3.712 40 0 GHABHN CCOc1ccccc1C(=O)N1CCCC[C@H]2CN(Cc3ccncc3C)C[C@H]21 ZINC000019520111 570993693 /nfs/dbraw/zinc/99/36/93/570993693.db2.gz JXLBPJMMAPGCIK-RBBKRZOGSA-N 0 3 393.531 3.915 40 0 GHABHN CCOc1ccc(CN2Cc3ccccc3OC3(CCN(C)CC3)C2)cc1OC ZINC000019533938 570999680 /nfs/dbraw/zinc/99/96/80/570999680.db2.gz CWUGTOBQQWQOQH-UHFFFAOYSA-N 0 3 396.531 3.953 40 0 GHABHN COc1cccc(CN2CCC([C@@H](NC(=O)C3CCC3)c3ccccn3)CC2)c1 ZINC000019564821 571006851 /nfs/dbraw/zinc/00/68/51/571006851.db2.gz SNNFGCXWAXBRQP-HSZRJFAPSA-N 0 3 393.531 3.960 40 0 GHABHN CC1CCN(c2ncc(CNCC3(c4cccc(F)c4)CCOCC3)cn2)CC1 ZINC000019715748 571038039 /nfs/dbraw/zinc/03/80/39/571038039.db2.gz JURWCSVQUIHCII-UHFFFAOYSA-N 0 3 398.526 3.690 40 0 GHABHN Cc1cc(OC(F)(F)F)ccc1Nc1cc(C2CC2)nc(NCCN(C)C)n1 ZINC000328960449 571047053 /nfs/dbraw/zinc/04/70/53/571047053.db2.gz AYCBDUOGYMXENZ-UHFFFAOYSA-N 0 3 395.429 3.700 40 0 GHABHN O=C(C[C@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21)NC1CC1 ZINC000096052994 571097617 /nfs/dbraw/zinc/09/76/17/571097617.db2.gz FAHFDZHSHHKZME-IBGZPJMESA-N 0 3 375.516 3.771 40 0 GHABHN CN(C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccsc1)c1ccccc1 ZINC000008635708 291132007 /nfs/dbraw/zinc/13/20/07/291132007.db2.gz BYNPBRYTNKJWQW-ABSDTBQOSA-N 0 3 384.549 3.716 40 0 biogenic,in-vitro GHABHN CC[C@@H]1CCCC[N@@H+]1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000010544218 204336085 /nfs/dbraw/zinc/33/60/85/204336085.db2.gz VMIBWXNUBREBGJ-CQSZACIVSA-N 0 3 379.353 3.926 40 0 GHABHN CC[C@@H]1CCCC[N@H+]1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000010544218 204336089 /nfs/dbraw/zinc/33/60/89/204336089.db2.gz VMIBWXNUBREBGJ-CQSZACIVSA-N 0 3 379.353 3.926 40 0 GHABHN c1csc(-c2nc(N3CCN(C4CCCC4)CC3)ncc2-c2cnccn2)c1 ZINC000012184710 204379075 /nfs/dbraw/zinc/37/90/75/204379075.db2.gz FHNIXEPPVIANEH-UHFFFAOYSA-N 0 3 392.532 3.727 40 0 GHABHN CN1CCC(C(=O)N2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)CC1 ZINC000072350377 205331115 /nfs/dbraw/zinc/33/11/15/205331115.db2.gz KMGRUOIYCFMLDD-GOSISDBHSA-N 0 3 381.495 3.936 40 0 GHABHN CN1CCC(C(=O)N2CCC[C@H](c3cccc(Cc4cccc(F)c4)n3)C2)CC1 ZINC000072350398 205331360 /nfs/dbraw/zinc/33/13/60/205331360.db2.gz YTVWJWIRGJXBQB-FQEVSTJZSA-N 0 3 395.522 3.859 40 0 GHABHN CCn1cc(CN2CC[C@@H](c3cc(CCOc4ccccc4F)[nH]n3)C2)c(C)n1 ZINC000072371596 205335619 /nfs/dbraw/zinc/33/56/19/205335619.db2.gz AZFFEZJLIRQADH-QGZVFWFLSA-N 0 3 397.498 3.685 40 0 GHABHN CCn1cc(CN2CC[C@@H](c3cc(CCOc4ccccc4F)n[nH]3)C2)c(C)n1 ZINC000072371596 205335624 /nfs/dbraw/zinc/33/56/24/205335624.db2.gz AZFFEZJLIRQADH-QGZVFWFLSA-N 0 3 397.498 3.685 40 0 GHABHN Cc1c(CN2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)cnn1C ZINC000072376036 205337360 /nfs/dbraw/zinc/33/73/60/205337360.db2.gz AANMVEKZGARFOC-SFHVURJKSA-N 0 3 376.508 3.950 40 0 GHABHN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000222908886 205988734 /nfs/dbraw/zinc/98/87/34/205988734.db2.gz WONLZGWCKMMDFA-VQTJNVASSA-N 0 3 377.517 3.896 40 0 GHABHN O=S(=O)(Cc1cccc(Cl)c1)NCc1ccccc1CN1CCCC1 ZINC000224779710 206028197 /nfs/dbraw/zinc/02/81/97/206028197.db2.gz IASGNMLLTGPELM-UHFFFAOYSA-N 0 3 378.925 3.555 40 0 GHABHN Cc1cc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)ccc1F ZINC000224853960 206028663 /nfs/dbraw/zinc/02/86/63/206028663.db2.gz RGNVAQMEZGYFIS-UHFFFAOYSA-N 0 3 376.497 3.599 40 0 GHABHN CC(C)CN1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 ZINC000225473770 206051629 /nfs/dbraw/zinc/05/16/29/206051629.db2.gz LOEHAOBTAZOIMM-UHFFFAOYSA-N 0 3 385.577 3.641 40 0 biogenic,in-vitro GHABHN O=C(COc1cccc2c1CCCC2)NCCCN1CCc2ccccc2C1 ZINC000225541346 206055643 /nfs/dbraw/zinc/05/56/43/206055643.db2.gz ILFFUNLABUPDLZ-UHFFFAOYSA-N 0 3 378.516 3.509 40 0 GHABHN CC(C)Sc1nnc(NC(=O)C2CCN(Cc3ccccc3)CC2)s1 ZINC000225831392 206081223 /nfs/dbraw/zinc/08/12/23/206081223.db2.gz IACHPXFPCMIGOR-UHFFFAOYSA-N 0 3 376.551 3.889 40 0 GHABHN CC[C@H](N)C(=O)N1CC[C@H]2O[C@H]3c4cc(Cl)ccc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257307191 206176103 /nfs/dbraw/zinc/17/61/03/206176103.db2.gz SXONADLZTVIWNK-IIDKFBGSSA-N 0 3 392.927 3.543 40 0 GHABHN O=C1CO[C@]2(CN1CCc1ccccc1)CCCN(Cc1ccccc1F)CC2 ZINC000257339929 206181557 /nfs/dbraw/zinc/18/15/57/206181557.db2.gz ZDTXZLZRNUISSF-XMMPIXPASA-N 0 3 396.506 3.652 40 0 GHABHN CC(C)CCC[C@@]1(C)Oc2c(O)cccc2[C@H]2OC[C@@]3(CNCCO3)C[C@@H]21 ZINC000257324846 206179598 /nfs/dbraw/zinc/17/95/98/206179598.db2.gz WQLHDMNRNMQEAG-GWWHBBDRSA-N 0 3 375.509 3.806 40 0 GHABHN COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3N2Cc2ccccn2)c1 ZINC000257339719 206181309 /nfs/dbraw/zinc/18/13/09/206181309.db2.gz ZCWZSAMSTGIWNO-FUDKSRODSA-N 0 3 379.504 3.855 40 0 GHABHN COc1ccc(CN2CC[C@]3(C2)Cn2c(-c4ccc(F)cc4)cnc2CO3)cc1 ZINC000306137613 206205913 /nfs/dbraw/zinc/20/59/13/206205913.db2.gz RBJPBJMLFJDUNP-QHCPKHFHSA-N 0 3 393.462 3.873 40 0 GHABHN c1cc(-c2ccc3nc([C@H]4CCN(Cc5ccc6c(c5)OCO6)C4)nn3c2)ccn1 ZINC000306144087 206206304 /nfs/dbraw/zinc/20/63/04/206206304.db2.gz YVTZYCBDAHXZQV-IBGZPJMESA-N 0 3 399.454 3.510 40 0 GHABHN COc1ccc(CN2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cc1 ZINC000306130656 206200830 /nfs/dbraw/zinc/20/08/30/206200830.db2.gz JMHUQNWDQOTQOP-LJQANCHMSA-N 0 3 391.519 3.718 40 0 GHABHN Cc1cc(C)cc(CN2CCC3(CC2)CN(C)C(=O)c2cn(C(C)C)nc23)c1 ZINC000306134592 206202892 /nfs/dbraw/zinc/20/28/92/206202892.db2.gz NSUVXABAEGGVCY-UHFFFAOYSA-N 0 3 380.536 3.700 40 0 GHABHN CC(C)CNC(=O)c1ccc2c(c1)C1(CCO2)CCN(Cc2ccncc2)CC1 ZINC000306134546 206203046 /nfs/dbraw/zinc/20/30/46/206203046.db2.gz NRBWXVWUGCIAMM-UHFFFAOYSA-N 0 3 393.531 3.784 40 0 GHABHN Cc1ccc(CN2CC[C@@]3(C2)COCc2c(C)nc(NCC4CC4)nc23)cc1 ZINC000096244492 570223808 /nfs/dbraw/zinc/22/38/08/570223808.db2.gz PXHZRBYRNCTYAM-HSZRJFAPSA-N 0 3 378.520 3.589 40 0 GHABHN Cc1ccc(OC[C@@H](O)CNCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1C ZINC000585285170 570254316 /nfs/dbraw/zinc/25/43/16/570254316.db2.gz OTKKCNKYIFOCNJ-IBGZPJMESA-N 0 3 380.488 3.704 40 0 GHABHN Clc1cccc(N2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)c1 ZINC000002022098 570272351 /nfs/dbraw/zinc/27/23/51/570272351.db2.gz KWYQGFAGMNSBQW-UHFFFAOYSA-N 0 3 398.982 3.674 40 0 GHABHN CC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN1CCN(C)CC1 ZINC000022576644 570322291 /nfs/dbraw/zinc/32/22/91/570322291.db2.gz DQVIJOCOLCADKE-GBXCKJPGSA-N 0 3 380.532 3.571 40 0 GHABHN Cc1ccc(CN2CCC(C(=O)NCCCN(C)c3ccccc3)CC2)cc1 ZINC000219409705 570359280 /nfs/dbraw/zinc/35/92/80/570359280.db2.gz SJYLIRQCHAZGQS-UHFFFAOYSA-N 0 3 379.548 3.850 40 0 GHABHN Cc1ccc(Cl)cc1N1C(=O)C[C@H](NCCc2c[nH]c3ccccc23)C1=O ZINC000025224521 570413561 /nfs/dbraw/zinc/41/35/61/570413561.db2.gz KVLYDVDLJLJUOG-SFHVURJKSA-N 0 3 381.863 3.594 40 0 GHABHN Cc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000222715944 570422203 /nfs/dbraw/zinc/42/22/03/570422203.db2.gz SHZZOCLVLWUWJJ-GOSISDBHSA-N 0 3 394.515 3.856 40 0 GHABHN COc1ccc(OC[C@@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000039758084 570449299 /nfs/dbraw/zinc/44/92/99/570449299.db2.gz JIMIPWSFSHUUGX-LJQANCHMSA-N 0 3 396.531 3.799 40 0 GHABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000223262306 570454237 /nfs/dbraw/zinc/45/42/37/570454237.db2.gz JNMCWNVWAMEORQ-VQTJNVASSA-N 0 3 383.565 3.532 40 0 GHABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@H]3C2=O)c(C)c1 ZINC000101057382 570616901 /nfs/dbraw/zinc/61/69/01/570616901.db2.gz FVAZHGFOSSHRCS-VSKRKVRLSA-N 0 3 399.450 3.750 40 0 GHABHN Cc1ncc(CN2CCC[C@]3(CCC(=O)N3Cc3csc(C)n3)CC2)s1 ZINC000585100223 570923830 /nfs/dbraw/zinc/92/38/30/570923830.db2.gz IBSLHZFVPKMLMX-IBGZPJMESA-N 0 3 390.578 3.764 40 0 GHABHN CCOC[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218512628 570924438 /nfs/dbraw/zinc/92/44/38/570924438.db2.gz VUMLLWYHCNZSSR-AABGKKOBSA-N 0 3 393.936 3.570 40 0 GHABHN CCOC[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218512697 570924571 /nfs/dbraw/zinc/92/45/71/570924571.db2.gz VUMLLWYHCNZSSR-HSALFYBXSA-N 0 3 393.936 3.570 40 0 GHABHN CCN1CCN(c2ccc(N)cc2NC(=O)COc2ccc(C(C)C)cc2)CC1 ZINC000226260179 570935122 /nfs/dbraw/zinc/93/51/22/570935122.db2.gz QEZGSWCJMHUYDD-UHFFFAOYSA-N 0 3 396.535 3.552 40 0 GHABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000226259269 570935258 /nfs/dbraw/zinc/93/52/58/570935258.db2.gz DVEXNRIPEIYMBS-UHFFFAOYSA-N 0 3 393.318 3.970 40 0 GHABHN Cc1cnc(C(=O)NC2CCN(CC3(c4ccc(Cl)cc4)CCC3)CC2)cn1 ZINC000019238990 570968390 /nfs/dbraw/zinc/96/83/90/570968390.db2.gz UKRCBGLFAYSTIG-UHFFFAOYSA-N 0 3 398.938 3.755 40 0 GHABHN CC(C)Oc1ccc(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1 ZINC000019450576 570984963 /nfs/dbraw/zinc/98/49/63/570984963.db2.gz WBGBTPDOVFLSLT-IBGZPJMESA-N 0 3 390.487 3.609 40 0 GHABHN CC(C)Oc1ccc(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1 ZINC000019450576 570984965 /nfs/dbraw/zinc/98/49/65/570984965.db2.gz WBGBTPDOVFLSLT-IBGZPJMESA-N 0 3 390.487 3.609 40 0 GHABHN Cc1c2ccccc2oc1C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 ZINC000019566215 571007941 /nfs/dbraw/zinc/00/79/41/571007941.db2.gz CMPJZVYOEBHIDN-UHFFFAOYSA-N 0 3 390.487 3.539 40 0 GHABHN CC(=O)N1CC[C@@H]2[C@H]1CCCCN2Cc1c(C)nn(-c2ccccc2C)c1C ZINC000019712527 856425737 /nfs/dbraw/zinc/42/57/37/856425737.db2.gz DBGIWASDSLORSO-DHIUTWEWSA-N 0 3 380.536 3.773 40 0 GHABHN Cc1ccc(OC[C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044852838 856442795 /nfs/dbraw/zinc/44/27/95/856442795.db2.gz DZYSEYKJUVIBOO-ICSRJNTNSA-N 0 3 384.495 3.930 40 0 GHABHN COc1ccc(NC(=O)[C@H]2C[C@@H](CC(C)C)N[C@@]23c2ccccc2NC3=O)cc1 ZINC000009044933 204296766 /nfs/dbraw/zinc/29/67/66/204296766.db2.gz HXEBBNTUZKJLOZ-HFXUHXBXSA-N 0 3 393.487 3.506 40 0 GHABHN CC[C@@H](CO)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000008326269 204272302 /nfs/dbraw/zinc/27/23/02/204272302.db2.gz JEWDUQIDZNLQGV-INIZCTEOSA-N 0 3 394.309 3.897 40 0 GHABHN CCn1c2ccc(CN(Cc3sccc3C)C[C@@H](C)O)cc2n(CC)c1=O ZINC000012185489 204379023 /nfs/dbraw/zinc/37/90/23/204379023.db2.gz BTRULNSONGKSMJ-MRXNPFEDSA-N 0 3 387.549 3.596 40 0 GHABHN COc1ccccc1CN(CCN(C)C)C(=O)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000012238258 204385992 /nfs/dbraw/zinc/38/59/92/204385992.db2.gz VLOAEDKCMNHZDN-UHFFFAOYSA-N 0 3 397.494 3.757 40 0 GHABHN COc1ccc2c(CN3CCC(NC(C)=O)(c4ccccc4F)CC3)c[nH]c2c1 ZINC000012328830 204398190 /nfs/dbraw/zinc/39/81/90/204398190.db2.gz TUVYXDWRFCXPFH-UHFFFAOYSA-N 0 3 395.478 3.943 40 0 GHABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000012344415 204398999 /nfs/dbraw/zinc/39/89/99/204398999.db2.gz MTVYEMUHYHOENI-UHFFFAOYSA-N 0 3 392.478 3.639 40 0 GHABHN Cc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044852832 205088062 /nfs/dbraw/zinc/08/80/62/205088062.db2.gz DZYSEYKJUVIBOO-UYAOXDASSA-N 0 3 384.495 3.930 40 0 GHABHN CC(=O)N1CCC(N2CCC[C@@H]2c2cccc(Cc3ccccc3F)n2)CC1 ZINC000072358186 205333960 /nfs/dbraw/zinc/33/39/60/205333960.db2.gz QXNNGLKUGZQYHO-HSZRJFAPSA-N 0 3 381.495 3.959 40 0 GHABHN CN1CCC(C(=O)N2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)CC1 ZINC000072350374 205330569 /nfs/dbraw/zinc/33/05/69/205330569.db2.gz UPVNLASLZHYCFK-IBGZPJMESA-N 0 3 381.495 3.936 40 0 GHABHN COc1cccc(Cc2cccc([C@@H]3CCCN3C3CCN(C(C)=O)CC3)n2)c1 ZINC000072358193 205334745 /nfs/dbraw/zinc/33/47/45/205334745.db2.gz IJNCOYDFXKVQTM-DEOSSOPVSA-N 0 3 393.531 3.829 40 0 GHABHN CC(=O)Nc1ccc(Oc2nccnc2C2CCN(C3CCOCC3)CC2)cc1 ZINC000072362858 205335650 /nfs/dbraw/zinc/33/56/50/205335650.db2.gz WBHMAXQFWFOJSN-UHFFFAOYSA-N 0 3 396.491 3.586 40 0 GHABHN Cc1ccc(C)c(OCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000224028509 206010534 /nfs/dbraw/zinc/01/05/34/206010534.db2.gz FAAZTNLLHBDKTO-UHFFFAOYSA-N 0 3 384.495 3.850 40 0 GHABHN Cc1nonc1C(=O)N1CCC[C@H](c2cc(Nc3ccc(F)cc3)cc(C)n2)C1 ZINC000257321077 206178362 /nfs/dbraw/zinc/17/83/62/206178362.db2.gz VZZUWAAAHQUKAV-HNNXBMFYSA-N 0 3 395.438 3.984 40 0 GHABHN COc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CCN(Cc4c[nH]cn4)CC3)CO[C@H]21 ZINC000257234954 206164476 /nfs/dbraw/zinc/16/44/76/206164476.db2.gz GVTUOPJHNZCOOZ-PZJWPPBQSA-N 0 3 397.519 3.949 40 0 GHABHN COc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CCN(Cc4cnc[nH]4)CC3)CO[C@H]21 ZINC000257234954 206164479 /nfs/dbraw/zinc/16/44/79/206164479.db2.gz GVTUOPJHNZCOOZ-PZJWPPBQSA-N 0 3 397.519 3.949 40 0 GHABHN c1csc(CN2CCC(n3cnc4ncc(-c5cccnc5)nc43)CC2)c1 ZINC000306131860 206201071 /nfs/dbraw/zinc/20/10/71/206201071.db2.gz KRHVIOBUYZADSS-UHFFFAOYSA-N 0 3 376.489 3.787 40 0 GHABHN CC(C)N1CCN(c2ccc3ccc(C(=O)NCc4cccc(F)c4)cn32)CC1 ZINC000096156086 570216630 /nfs/dbraw/zinc/21/66/30/570216630.db2.gz WSHPLVSWNZDYJC-UHFFFAOYSA-N 0 3 394.494 3.539 40 0 GHABHN CCC1C(=O)N=C(SCC(=O)Nc2ccc(C)cc2)N(c2ccccc2)C1=O ZINC000001089451 570241451 /nfs/dbraw/zinc/24/14/51/570241451.db2.gz LLSZEZFIRXITRT-QGZVFWFLSA-N 0 3 395.484 3.622 40 0 GHABHN Cc1ccc(OC[C@H](O)CNCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1C ZINC000585285171 570254250 /nfs/dbraw/zinc/25/42/50/570254250.db2.gz OTKKCNKYIFOCNJ-LJQANCHMSA-N 0 3 380.488 3.704 40 0 GHABHN CCc1cc(=O)n2[n-]c([C@H]3CC[N@H+](CC(C)(C)CN4CCC(C)CC4)C3)cc2n1 ZINC000100727503 570275408 /nfs/dbraw/zinc/27/54/08/570275408.db2.gz IMRWSKUHFQJPNZ-SFHVURJKSA-N 0 3 399.583 3.545 40 0 GHABHN CCc1cc(=O)n2[n-]c([C@H]3CC[N@@H+](CC(C)(C)CN4CCC(C)CC4)C3)cc2n1 ZINC000100727503 570275410 /nfs/dbraw/zinc/27/54/10/570275410.db2.gz IMRWSKUHFQJPNZ-SFHVURJKSA-N 0 3 399.583 3.545 40 0 GHABHN CCN1CCC[C@@H]1CN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccnc1 ZINC000022913683 570334265 /nfs/dbraw/zinc/33/42/65/570334265.db2.gz VUBVPOOFDQJBAA-HSZRJFAPSA-N 0 3 393.510 3.893 40 0 GHABHN OCCN1CCN(CC/C=C2/c3ccccc3COc3ccc(Cl)cc32)CC1 ZINC000023477086 570363260 /nfs/dbraw/zinc/36/32/60/570363260.db2.gz RAAHIUIRJUOMAU-MPUCSWFWSA-N 0 3 398.934 3.664 40 0 in-man GHABHN COc1ccc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2cc(OC)cc(OC)c2)C3)cc1 ZINC000012361629 570645771 /nfs/dbraw/zinc/64/57/71/570645771.db2.gz RUMSCJGFQBWRAG-VXMMSVGHSA-N 0 3 397.515 3.832 40 0 GHABHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013676590 570772200 /nfs/dbraw/zinc/77/22/00/570772200.db2.gz HGSIMIKVWUOIQA-KBPBESRZSA-N 0 3 393.380 3.781 40 0 GHABHN Fc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CCN(C2CCCC2)CC1 ZINC000019347821 570925401 /nfs/dbraw/zinc/92/54/01/570925401.db2.gz LRGABEBUMZHZBE-NRFANRHFSA-N 0 3 398.530 3.577 40 0 GHABHN CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000020139918 570942001 /nfs/dbraw/zinc/94/20/01/570942001.db2.gz WWKVORDRSPNWKS-OAQYLSRUSA-N 0 3 396.583 3.858 40 0 GHABHN CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2cccc(OC(C)C)c2)CC1 ZINC000019450828 570985636 /nfs/dbraw/zinc/98/56/36/570985636.db2.gz AJEWUXJDSUUWQO-QHCPKHFHSA-N 0 3 381.520 3.958 40 0 GHABHN CCN1CCC(n2nccc2NC(=O)c2cccc(-n3nc(C)cc3C)c2)CC1 ZINC000019527061 570997609 /nfs/dbraw/zinc/99/76/09/570997609.db2.gz KEFZYLXLEQVKFH-UHFFFAOYSA-N 0 3 392.507 3.595 40 0 GHABHN COc1cccc(OC)c1CN1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C ZINC000019589272 571016252 /nfs/dbraw/zinc/01/62/52/571016252.db2.gz CYMMFFVLLFEMER-KKLQWCBXSA-N 0 3 384.495 3.905 40 0 GHABHN CN1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)Cc1cccnc1 ZINC000019590811 571018756 /nfs/dbraw/zinc/01/87/56/571018756.db2.gz AIFLDNJAPIZZTA-XJUOHMSHSA-N 0 3 381.495 3.632 40 0 GHABHN COCCNC(=O)c1cc([C@@H]2CCCN(Cc3cccc4ccccc43)C2)no1 ZINC000019593547 571019625 /nfs/dbraw/zinc/01/96/25/571019625.db2.gz MWUYBMDKSSXSKZ-LJQANCHMSA-N 0 3 393.487 3.584 40 0 GHABHN Cc1noc2nc(C)cc(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)c12 ZINC000019715848 571037943 /nfs/dbraw/zinc/03/79/43/571037943.db2.gz WXYDYVHBUVPABH-UHFFFAOYSA-N 0 3 394.475 3.957 40 0 GHABHN O=C(Nc1ccccc1CN1CCCC1)c1cccc(CN2CCCC2=O)c1 ZINC000019717214 571039399 /nfs/dbraw/zinc/03/93/99/571039399.db2.gz HVXHSTMVYQAMGY-UHFFFAOYSA-N 0 3 377.488 3.657 40 0 GHABHN COc1ccccc1CN1C[C@@H](c2cccc(F)c2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712606 856425839 /nfs/dbraw/zinc/42/58/39/856425839.db2.gz MOWVZXXCZLXEQA-MZKRTTBSSA-N 0 3 382.479 3.861 40 0 GHABHN Cc1ccc2c(CC(=O)N3CCC(c4cc(CN(C)C)[nH]n4)CC3)coc2c1C ZINC000019708928 856426319 /nfs/dbraw/zinc/42/63/19/856426319.db2.gz ONWOBMMDEBUKEM-UHFFFAOYSA-N 0 3 394.519 3.783 40 0 GHABHN CNc1cc(CN(C)Cc2ccc(-c3ccccn3)cc2)nc([C@H]2CCCN2)n1 ZINC000019760056 856427936 /nfs/dbraw/zinc/42/79/36/856427936.db2.gz UTBIWTFHLWZLSE-OAQYLSRUSA-N 0 3 388.519 3.637 40 0 GHABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@@H]3C2=O)c(C)c1 ZINC000004313105 204037394 /nfs/dbraw/zinc/03/73/94/204037394.db2.gz FVAZHGFOSSHRCS-BDTNDASRSA-N 0 3 399.450 3.750 40 0 GHABHN Cn1ccc(-c2cc(C(=O)NC(C)(C)CN3CCCCC3)c3ccccc3n2)n1 ZINC000035316625 204168156 /nfs/dbraw/zinc/16/81/56/204168156.db2.gz VQGGJMXENFUDFE-UHFFFAOYSA-N 0 3 391.519 3.630 40 0 GHABHN CCN1CCN(c2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2)CC1 ZINC000006517637 204183086 /nfs/dbraw/zinc/18/30/86/204183086.db2.gz UJRXZIJMDFPHKR-UHFFFAOYSA-N 0 3 381.520 3.969 40 0 GHABHN CCn1c2ccc(CN(Cc3ccc(C)s3)C[C@@H](C)O)cc2n(CC)c1=O ZINC000012185884 204379702 /nfs/dbraw/zinc/37/97/02/204379702.db2.gz XLYFEQMMVSBHCI-OAHLLOKOSA-N 0 3 387.549 3.596 40 0 GHABHN COc1cccc([C@@H](O)CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000012292517 204388961 /nfs/dbraw/zinc/38/89/61/204388961.db2.gz BLHAWXNGVAHDFH-IBGZPJMESA-N 0 3 395.421 3.731 40 0 GHABHN CCn1ncc(-c2cc(C(F)F)nc(N[C@H](C)CN3CCCCC3)n2)c1C ZINC000036613723 205017666 /nfs/dbraw/zinc/01/76/66/205017666.db2.gz XIGDUSVNHGZGDK-CYBMUJFWSA-N 0 3 378.471 3.892 40 0 GHABHN CC(=O)N1CCC(N2CCC[C@H](c3nccnc3Oc3ccc(C)cc3)C2)CC1 ZINC000072363022 205336188 /nfs/dbraw/zinc/33/61/88/205336188.db2.gz GBAWDYWPHGJTRK-IBGZPJMESA-N 0 3 394.519 3.768 40 0 GHABHN CCc1cc(-c2cc(NC[C@@H](c3ccc(C)cc3)N(C)C)nc(C)n2)n(C)n1 ZINC000072373248 205338424 /nfs/dbraw/zinc/33/84/24/205338424.db2.gz CECXBWDOXQRZQR-NRFANRHFSA-N 0 3 378.524 3.771 40 0 GHABHN Cc1cc(C)cc(OCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000224106455 206013483 /nfs/dbraw/zinc/01/34/83/206013483.db2.gz BDLPSAYGNNUGME-FQEVSTJZSA-N 0 3 384.495 3.850 40 0 GHABHN CN1CCN(C2(CNC(=O)c3ccc(Cl)cc3Cl)CCCCC2)CC1 ZINC000032501869 206090413 /nfs/dbraw/zinc/09/04/13/206090413.db2.gz HZHVXTDYWAXGSL-UHFFFAOYSA-N 0 3 384.351 3.674 40 0 GHABHN CC1(C)Oc2cc(O)ccc2[C@H]2OCC3(CCN(Cc4cc[nH]n4)CC3)C[C@@H]21 ZINC000257274845 206172245 /nfs/dbraw/zinc/17/22/45/206172245.db2.gz NMWMKWRZEGTIRW-AZUAARDMSA-N 0 3 383.492 3.646 40 0 GHABHN Cc1cccc(CN2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)n1 ZINC000306130568 206200752 /nfs/dbraw/zinc/20/07/52/206200752.db2.gz JJWBKRWQHONUSQ-HXUWFJFHSA-N 0 3 384.487 3.874 40 0 GHABHN Cc1cc(C)cc(CN2CCC3(CC2)CN(C)C(=O)c2cn(CC4CC4)nc23)c1 ZINC000306133581 206201401 /nfs/dbraw/zinc/20/14/01/206201401.db2.gz MQELGUMYNUMJNZ-UHFFFAOYSA-N 0 3 392.547 3.529 40 0 GHABHN C[C@H]1CCCN(c2ncc(-c3cncn3Cc3ccccc3CN(C)C)cn2)C1 ZINC000072391890 136169170 /nfs/dbraw/zinc/16/91/70/136169170.db2.gz FJYHZKOBKYUKSF-SFHVURJKSA-N 0 3 390.535 3.686 40 0 GHABHN CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(C3CCC3)C[C@H]21 ZINC000514288724 560034101 /nfs/dbraw/zinc/03/41/01/560034101.db2.gz BAOXXMVGHAGGDW-CTNGQTDRSA-N 0 3 384.426 3.702 40 0 biogenic,in-vitro GHABHN O[C@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1CNCc1ccccc1 ZINC000077262862 560046826 /nfs/dbraw/zinc/04/68/26/560046826.db2.gz ZVTHGSWVYBXBNF-QNWVGRARSA-N 0 3 378.472 3.582 40 0 biogenic,in-vitro GHABHN Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccccc2)nc(NCCN(C)C)n1 ZINC000328979192 570210362 /nfs/dbraw/zinc/21/03/62/570210362.db2.gz GEHYWLSTUIMKLM-UHFFFAOYSA-N 0 3 395.938 3.975 40 0 GHABHN Cc1ccc(N2CCN(CCCN3CCN(c4ccccc4C)CC3)CC2)cc1 ZINC000002022100 570272458 /nfs/dbraw/zinc/27/24/58/570272458.db2.gz AKNLXGXCSKQZRS-UHFFFAOYSA-N 0 3 392.591 3.638 40 0 GHABHN CO[C@H]1CC[C@H](C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)CC1 ZINC000100749219 570276427 /nfs/dbraw/zinc/27/64/27/570276427.db2.gz XKBNARBFDIVIGB-AAMVXILJSA-N 0 3 386.536 3.514 40 0 GHABHN COc1ccc(CN2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)cc1 ZINC000105983285 570306176 /nfs/dbraw/zinc/30/61/76/570306176.db2.gz MIKSKFZKIUWBQP-DEOSSOPVSA-N 0 3 387.483 3.826 40 0 GHABHN COc1ccc(OC[C@@H](O)CN(C)Cc2c3cc(C)cnc3[nH]c2C2CC2)cc1 ZINC000057773788 570373670 /nfs/dbraw/zinc/37/36/70/570373670.db2.gz PGGQAIYTQMIECZ-KRWDZBQOSA-N 0 3 395.503 3.629 40 0 GHABHN CO[C@@]1(COc2ccc(C)cc2)CCCN(CC(=O)NCc2ccccc2)CC1 ZINC000257286202 570488634 /nfs/dbraw/zinc/48/86/34/570488634.db2.gz PKSHOCYGWNCMNX-DEOSSOPVSA-N 0 3 396.531 3.561 40 0 GHABHN COc1ccc2c(CN3CCC[C@H]([C@@H](NC(C)=O)c4nccs4)C3)c[nH]c2c1 ZINC000012365811 570646790 /nfs/dbraw/zinc/64/67/90/570646790.db2.gz HCLQHOFIPIWWFT-MGPUTAFESA-N 0 3 398.532 3.722 40 0 GHABHN Cc1ccc(C2(C(=O)N3Cc4cc(C)ccc4OC[C@H]3CN(C)C)CC2)cc1 ZINC000012406621 570654038 /nfs/dbraw/zinc/65/40/38/570654038.db2.gz RAFOZNOMTLAQQJ-OAQYLSRUSA-N 0 3 378.516 3.686 40 0 GHABHN Cc1nc(C)c(CN2CCC[C@@]3(CCC(=O)N3Cc3cncs3)CC2)s1 ZINC000585100182 570923911 /nfs/dbraw/zinc/92/39/11/570923911.db2.gz HEVDGTBDBRXEDL-LJQANCHMSA-N 0 3 390.578 3.764 40 0 GHABHN CCC[C@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCCC2)CC1 ZINC000019501958 570927373 /nfs/dbraw/zinc/92/73/73/570927373.db2.gz KYIDZJIRUXDCMT-LJQANCHMSA-N 0 3 388.585 3.574 40 0 GHABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000226259253 570935204 /nfs/dbraw/zinc/93/52/04/570935204.db2.gz AZVOVGPCCKFLTQ-UHFFFAOYSA-N 0 3 393.318 3.970 40 0 GHABHN Cc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(C3CCCC3)CC2)cc1 ZINC000020121775 570941533 /nfs/dbraw/zinc/94/15/33/570941533.db2.gz DEJFVJKGSUXMJK-JOCHJYFZSA-N 0 3 394.567 3.746 40 0 GHABHN COc1ccc(CN2C[C@H](c3ccc(OC)cc3)[C@@H]3[C@H]2CCCN3C(C)=O)cc1 ZINC000019017753 570954554 /nfs/dbraw/zinc/95/45/54/570954554.db2.gz SJURLQDNBYFAHB-WXFUMESZSA-N 0 3 394.515 3.683 40 0 GHABHN COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4ccc(F)cc4)[C@@H]32)cc1 ZINC000019019352 570954997 /nfs/dbraw/zinc/95/49/97/570954997.db2.gz HEBLBMMBALKCND-DNVJHFABSA-N 0 3 382.479 3.813 40 0 GHABHN Cc1ccc([C@@]2(O)CC[C@@H]3CN(Cc4cc5c(c(Cl)c4)OCO5)C[C@@H]32)nc1 ZINC000019216112 570961860 /nfs/dbraw/zinc/96/18/60/570961860.db2.gz WAGGVAWITOETMB-VWKPWSFCSA-N 0 3 386.879 3.502 40 0 GHABHN COc1ccc(C[N@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[n-]c(C)n3)C2)cc1 ZINC000019285535 570969309 /nfs/dbraw/zinc/96/93/09/570969309.db2.gz LYIPQNQPEPGDHB-VQTJNVASSA-N 0 3 393.462 3.609 40 0 GHABHN COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[n-]c(C)n3)C2)cc1 ZINC000019285535 570969311 /nfs/dbraw/zinc/96/93/11/570969311.db2.gz LYIPQNQPEPGDHB-VQTJNVASSA-N 0 3 393.462 3.609 40 0 GHABHN NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2ccncc2)C1 ZINC000019333522 570975594 /nfs/dbraw/zinc/97/55/94/570975594.db2.gz NNDLQSRRMIZMOX-JOCHJYFZSA-N 0 3 377.513 3.730 40 0 GHABHN CCCN1CCC(C[C@@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)OCC)CC1 ZINC000019502597 570993509 /nfs/dbraw/zinc/99/35/09/570993509.db2.gz NFRTUYFFOKHBAR-SFHVURJKSA-N 0 3 376.472 3.764 40 0 GHABHN COc1cccc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)c1OC ZINC000019589294 571016442 /nfs/dbraw/zinc/01/64/42/571016442.db2.gz DACBPNDIPSOHNI-KCZVDYSFSA-N 0 3 384.495 3.905 40 0 GHABHN COc1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)c(OC)c1 ZINC000019589258 571016625 /nfs/dbraw/zinc/01/66/25/571016625.db2.gz XGXKDUCUZKPHDK-KCZVDYSFSA-N 0 3 398.478 3.545 40 0 GHABHN CN(C)CCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004706236 204066984 /nfs/dbraw/zinc/06/69/84/204066984.db2.gz PPMFMAOFTZHACB-LQPOTRJCSA-N 0 3 389.580 3.562 40 0 in-vitro GHABHN CCn1c2ccc(CN(C)Cc3cc(=O)[nH]c4ccccc34)cc2n(CC)c1=O ZINC000012188472 204379927 /nfs/dbraw/zinc/37/99/27/204379927.db2.gz GLPUIZPKHYRIGO-UHFFFAOYSA-N 0 3 390.487 3.729 40 0 GHABHN COc1ccc(C(C)(C)C)cc1CN1C[C@H]2CCC[C@@H](C1)C2(O)c1nccn1C ZINC000012219943 204383989 /nfs/dbraw/zinc/38/39/89/204383989.db2.gz SGOFMINJDSUTOI-VXMMSVGHSA-N 0 3 397.563 3.846 40 0 GHABHN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)CCC4)CC1)O2 ZINC000012330223 204398157 /nfs/dbraw/zinc/39/81/57/204398157.db2.gz XEBGHOWCYQJQCG-GOTSBHOMSA-N 0 3 393.527 3.868 40 0 GHABHN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038853687 205041054 /nfs/dbraw/zinc/04/10/54/205041054.db2.gz JXDRVOSZGMXRFX-MRXNPFEDSA-N 0 3 386.879 3.962 40 0 GHABHN COc1ccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044907045 205089995 /nfs/dbraw/zinc/08/99/95/205089995.db2.gz RMCSYEBZAPRLRB-HXUWFJFHSA-N 0 3 384.495 3.795 40 0 GHABHN COc1ccc(OC)c([C@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000057137738 205155568 /nfs/dbraw/zinc/15/55/68/205155568.db2.gz JZCIOWFIFGXGEY-KRWDZBQOSA-N 0 3 382.504 3.793 40 0 GHABHN CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000072358585 205334699 /nfs/dbraw/zinc/33/46/99/205334699.db2.gz MMRSSKIXSTZWMV-HXUWFJFHSA-N 0 3 387.487 3.877 40 0 GHABHN CC(=O)N1CCC(N2CCC[C@H](c3cncc(Oc4cccc(C)c4)n3)C2)CC1 ZINC000072363024 205335142 /nfs/dbraw/zinc/33/51/42/205335142.db2.gz VSCIMMOSBYPWGW-IBGZPJMESA-N 0 3 394.519 3.768 40 0 GHABHN O=c1oc2ccccc2c(NCc2ccc3c(c2)OCO3)c1CN1CCCC1 ZINC000016525264 205436290 /nfs/dbraw/zinc/43/62/90/205436290.db2.gz AWKTUVOZZKOFLW-UHFFFAOYSA-N 0 3 378.428 3.730 40 0 GHABHN COc1ccc(OCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000224331801 206019476 /nfs/dbraw/zinc/01/94/76/206019476.db2.gz WVYTXSQDNILTSL-UHFFFAOYSA-N 0 3 382.504 3.736 40 0 GHABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc2cc(OC)ccc2c1 ZINC000225500152 206052539 /nfs/dbraw/zinc/05/25/39/206052539.db2.gz HTOHWIBVKYQSRW-LJQANCHMSA-N 0 3 390.549 3.781 40 0 GHABHN Cc1nc([C@@H]2CCN(C(C)C)C2)nc2c1CCC(=O)N2CCc1ccccc1F ZINC000257273270 206171881 /nfs/dbraw/zinc/17/18/81/206171881.db2.gz NFXKCDOPWYSNED-GOSISDBHSA-N 0 3 396.510 3.644 40 0 GHABHN CCN(CC)C(=O)CN1CCC(c2cc(Nc3cccc(C)n3)cc(C)n2)CC1 ZINC000257298151 206175649 /nfs/dbraw/zinc/17/56/49/206175649.db2.gz RKKLVDHWSDVBKG-UHFFFAOYSA-N 0 3 395.551 3.885 40 0 GHABHN CN1CCC[C@@H]2N(C(=O)c3cccc(Cc4ccccc4F)n3)CCC[C@@]21C ZINC000257225659 206162932 /nfs/dbraw/zinc/16/29/32/206162932.db2.gz FHFLZJJSSRRUEC-GMAHTHKFSA-N 0 3 381.495 3.900 40 0 GHABHN COc1ccc(COc2ccc(C(=O)NCCN3CCCC3)c(Cl)c2)cc1 ZINC000306145185 206208495 /nfs/dbraw/zinc/20/84/95/206208495.db2.gz FEHMZBONFAYTRQ-UHFFFAOYSA-N 0 3 388.895 3.753 40 0 GHABHN CCc1ccc(CN2CCC3(CC2)CN(C)Cc2nnc(-c4ccco4)n23)cc1 ZINC000306126066 206197541 /nfs/dbraw/zinc/19/75/41/206197541.db2.gz DLHBNPKFNSWZHC-UHFFFAOYSA-N 0 3 391.519 3.537 40 0 GHABHN COc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccs4)C2)OC3)c1 ZINC000306123968 206197927 /nfs/dbraw/zinc/19/79/27/206197927.db2.gz BBTQWNPHZJZRMI-NRFANRHFSA-N 0 3 381.501 3.795 40 0 GHABHN Cc1ccc(C)c(CN2CC=C(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)c1 ZINC000072339528 136168488 /nfs/dbraw/zinc/16/84/88/136168488.db2.gz LLZQOMQJPBAAHU-UHFFFAOYSA-N 0 3 392.547 3.836 40 0 GHABHN C[C@H](CCN1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1)c1ccccc1 ZINC000072389556 136169248 /nfs/dbraw/zinc/16/92/48/136169248.db2.gz YWQDDJSFYAVFQZ-GOSISDBHSA-N 0 3 380.536 3.558 40 0 GHABHN COc1ccc(CN2CC[C@H](c3nnc(-c4ccc(N(C)C)cc4)o3)C2)cc1 ZINC000049170177 560084678 /nfs/dbraw/zinc/08/46/78/560084678.db2.gz HZMIRBIRFGOUPU-SFHVURJKSA-N 0 3 378.476 3.801 40 0 biogenic,in-vitro GHABHN CC(C)Nc1nc2c(cc1C(=O)N1CCCC1)CCN(Cc1ccccc1)CC2 ZINC000096260471 570225860 /nfs/dbraw/zinc/22/58/60/570225860.db2.gz GMJNTWIZZJWBFV-UHFFFAOYSA-N 0 3 392.547 3.739 40 0 GHABHN CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccc(F)cc2)C1 ZINC000585260828 570227854 /nfs/dbraw/zinc/22/78/54/570227854.db2.gz BZIIYOSLEVNLJN-HSZRJFAPSA-N 0 3 393.462 3.662 40 0 GHABHN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000585260810 570227973 /nfs/dbraw/zinc/22/79/73/570227973.db2.gz ZBYPQPXDRNYWAR-FGZHOGPDSA-N 0 3 396.531 3.712 40 0 GHABHN CN(Cc1ccc(OCc2ccccn2)cc1)C[C@H](O)COC1CCCCC1 ZINC000585262525 570230548 /nfs/dbraw/zinc/23/05/48/570230548.db2.gz KRCQHOZYFUJNJQ-NRFANRHFSA-N 0 3 384.520 3.803 40 0 GHABHN Cc1cnc(Nc2cccc(C3CCN(C(=O)C4(N)CCCCC4)CC3)n2)s1 ZINC000585263647 570231979 /nfs/dbraw/zinc/23/19/79/570231979.db2.gz XTIFUHORXZKWON-UHFFFAOYSA-N 0 3 399.564 3.958 40 0 GHABHN Cc1cc(C)n(CCOc2ccc(CN(C)C[C@H](O)c3ccccc3)cc2)n1 ZINC000585270130 570238744 /nfs/dbraw/zinc/23/87/44/570238744.db2.gz GIOFIGLTJBYSAG-QHCPKHFHSA-N 0 3 379.504 3.744 40 0 GHABHN Cc1ccc(OC[C@@H](O)CNCc2cc3c(C)ccc(C)c3[nH]c2=O)c(C)c1 ZINC000585283081 570251167 /nfs/dbraw/zinc/25/11/67/570251167.db2.gz BMWLZFDHYBEACP-IBGZPJMESA-N 0 3 380.488 3.704 40 0 GHABHN CC(C)(C)[C@H]1CC[C@H](N2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585286862 570256141 /nfs/dbraw/zinc/25/61/41/570256141.db2.gz JRLQAAIYCDRRCA-JLMWRMLUSA-N 0 3 379.516 3.873 40 0 GHABHN CCOc1cc(CNC[C@@H](O)c2ccccc2)cc(Br)c1OC ZINC000022076078 570305365 /nfs/dbraw/zinc/30/53/65/570305365.db2.gz NGBUTBOLXGEAGG-MRXNPFEDSA-N 0 3 380.282 3.680 40 0 GHABHN Cc1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@H](N(C)Cc4ccco4)[C@H]3C2)c1 ZINC000107746087 570310610 /nfs/dbraw/zinc/31/06/10/570310610.db2.gz LMMGCAKKQWYAKJ-YYWHXJBOSA-N 0 3 388.533 3.509 40 0 GHABHN Cc1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H](N(C)Cc4ccco4)[C@H]3C2)c1 ZINC000107746083 570310712 /nfs/dbraw/zinc/31/07/12/570310712.db2.gz LMMGCAKKQWYAKJ-DZFGPLHGSA-N 0 3 388.533 3.509 40 0 GHABHN CN1CCC(Oc2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1 ZINC000219207988 570349570 /nfs/dbraw/zinc/34/95/70/570349570.db2.gz NJXGTWSDYISXLE-UHFFFAOYSA-N 0 3 393.487 3.539 40 0 GHABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 ZINC000223276698 570455180 /nfs/dbraw/zinc/45/51/80/570455180.db2.gz IEZTWTINSQGLHP-LEWJYISDSA-N 0 3 397.592 3.922 40 0 GHABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 ZINC000223283019 570455790 /nfs/dbraw/zinc/45/57/90/570455790.db2.gz PBVQOIQIKOCRSG-NHCUHLMSSA-N 0 3 392.528 3.876 40 0 GHABHN COc1ccccc1-n1c(=O)c2ccccc2nc1SCCN1CCCCC1 ZINC000000905610 570516359 /nfs/dbraw/zinc/51/63/59/570516359.db2.gz KMCFJQMXPHGZCA-UHFFFAOYSA-N 0 3 395.528 3.972 40 0 GHABHN COc1cccc(-n2c(=O)c3ccccc3nc2SCCN2CCCCC2)c1 ZINC000000920390 570537196 /nfs/dbraw/zinc/53/71/96/570537196.db2.gz MSTHPDXKLQFMEV-UHFFFAOYSA-N 0 3 395.528 3.972 40 0 GHABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000170591462 570788280 /nfs/dbraw/zinc/78/82/80/570788280.db2.gz FZJBDLOPMUTLQL-ACRUOGEOSA-N 0 3 388.398 3.877 40 0 GHABHN CCOC[C@@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218512759 570924395 /nfs/dbraw/zinc/92/43/95/570924395.db2.gz VUMLLWYHCNZSSR-UFYCRDLUSA-N 0 3 393.936 3.570 40 0 GHABHN O=C(CCc1ccc(Cl)cc1)N1CCC[C@@]2(CCN2C[C@@H]2CCCO2)C1 ZINC000585101804 570927566 /nfs/dbraw/zinc/92/75/66/570927566.db2.gz HKSXFUCULRDLJV-PZJWPPBQSA-N 0 3 376.928 3.519 40 0 GHABHN Cc1cnc2[nH]c(-c3cccs3)c(CN3CCC(N4CCOCC4)CC3)c2c1 ZINC000019124955 570957874 /nfs/dbraw/zinc/95/78/74/570957874.db2.gz KLCBQINPOKJCHO-UHFFFAOYSA-N 0 3 396.560 3.896 40 0 GHABHN C[C@@H]1C[C@@H](C)CN(Cc2c3cccn(CC(=O)N(C)C)c-3nc2C(F)(F)F)C1 ZINC000019462576 570988770 /nfs/dbraw/zinc/98/87/70/570988770.db2.gz DFWHBCZURRWXHU-ZIAGYGMSSA-N 0 3 396.457 3.573 40 0 GHABHN c1ccc2c3nc(-c4ccncc4)nn3c(SCCN3CCCCC3)nc2c1 ZINC000010157690 204331995 /nfs/dbraw/zinc/33/19/95/204331995.db2.gz JGEQKJIUAXCQMV-UHFFFAOYSA-N 0 3 390.516 3.918 40 0 GHABHN COc1cccc([C@H](O)CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000012292535 204388773 /nfs/dbraw/zinc/38/87/73/204388773.db2.gz IVUVIKNCDVJGHX-LJQANCHMSA-N 0 3 395.421 3.731 40 0 GHABHN CC(C)C(=O)N1CCCc2cc([C@H](O)CN3CCc4ccccc4C3)ccc21 ZINC000012291384 204389026 /nfs/dbraw/zinc/38/90/26/204389026.db2.gz DHTNLHAXYWIZAL-HSZRJFAPSA-N 0 3 378.516 3.714 40 0 GHABHN O[C@@H](CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 ZINC000012292385 204389097 /nfs/dbraw/zinc/38/90/97/204389097.db2.gz CRMSHVIQUFDNBL-SFHVURJKSA-N 0 3 383.385 3.862 40 0 GHABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000012293070 204389535 /nfs/dbraw/zinc/38/95/35/204389535.db2.gz XYJJCAFVXLVZMO-INIZCTEOSA-N 0 3 382.479 3.777 40 0 GHABHN Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNCc3ccc(C)cc3)cc12 ZINC000012290152 204389868 /nfs/dbraw/zinc/38/98/68/204389868.db2.gz WJTWAXQHUOUYHI-UHFFFAOYSA-N 0 3 376.435 3.760 40 0 GHABHN O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000038851255 205039862 /nfs/dbraw/zinc/03/98/62/205039862.db2.gz BUSYKZFZXQNJFY-LJQANCHMSA-N 0 3 399.485 3.526 40 0 GHABHN CN1CCC(N2CCOC[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)c[nH]2)CC1 ZINC000072321970 205031615 /nfs/dbraw/zinc/03/16/15/205031615.db2.gz ZXTSFTURNLQBPS-SFHVURJKSA-N 0 3 394.441 3.563 40 0 biogenic,in-vitro GHABHN C[C@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1ccnc2ccc(Cl)cc12 ZINC000057810279 205161669 /nfs/dbraw/zinc/16/16/69/205161669.db2.gz ACQAOSMWXURCCY-AWEZNQCLSA-N 0 3 384.863 4.000 40 0 GHABHN CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000072358586 205334968 /nfs/dbraw/zinc/33/49/68/205334968.db2.gz MMRSSKIXSTZWMV-FQEVSTJZSA-N 0 3 387.487 3.877 40 0 GHABHN Cc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)C3CCN(C)CC3)C2)cc1 ZINC000072363247 205336102 /nfs/dbraw/zinc/33/61/02/205336102.db2.gz YUCMQQILWXIEBR-IBGZPJMESA-N 0 3 394.519 3.625 40 0 GHABHN COc1cccc(OCCc2cc([C@H]3CCN(Cc4cnc(C)s4)C3)n[nH]2)c1 ZINC000072371791 205336367 /nfs/dbraw/zinc/33/63/67/205336367.db2.gz PPCLYNXJDLHBBV-INIZCTEOSA-N 0 3 398.532 3.794 40 0 GHABHN COc1cccc(OCCc2cc([C@H]3CCN(Cc4cnc(C)s4)C3)[nH]n2)c1 ZINC000072371791 205336372 /nfs/dbraw/zinc/33/63/72/205336372.db2.gz PPCLYNXJDLHBBV-INIZCTEOSA-N 0 3 398.532 3.794 40 0 GHABHN CC(=O)N1CCC(N2CC[C@@H](c3nc(C)cc(Oc4ccc(F)cc4)n3)C2)CC1 ZINC000072384359 205339599 /nfs/dbraw/zinc/33/95/99/205339599.db2.gz YQIXQYHVARTHAI-QGZVFWFLSA-N 0 3 398.482 3.517 40 0 GHABHN Fc1ccccc1-c1cnc2nnc(C3CCN(Cc4ccoc4)CC3)n2c1 ZINC000306123347 206195045 /nfs/dbraw/zinc/19/50/45/206195045.db2.gz AKPPWEPOEXEEKR-UHFFFAOYSA-N 0 3 377.423 3.903 40 0 GHABHN CN1[C@@H]2CCCC[C@@H]3N(C(=O)c4ccnnc4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257325236 206180137 /nfs/dbraw/zinc/18/01/37/206180137.db2.gz WSALVUGXWNVWQT-QMDPOKHVSA-N 0 3 390.531 3.565 40 0 GHABHN CN1Cc2nnc(-c3cccs3)n2C2(CCN(Cc3cccs3)CC2)C1 ZINC000306142042 206206531 /nfs/dbraw/zinc/20/65/31/206206531.db2.gz WNOHFXBOGOQRKU-UHFFFAOYSA-N 0 3 385.562 3.505 40 0 GHABHN CN(C)CCn1ncc2c1-c1ccccc1OC21CCN(Cc2ccoc2)CC1 ZINC000306136469 206203266 /nfs/dbraw/zinc/20/32/66/206203266.db2.gz PUHGYAJXOAPKEU-UHFFFAOYSA-N 0 3 392.503 3.588 40 0 GHABHN Cc1ccc(OCCN2CCCC2)c(NC(=O)c2cn3cccc(C)c3n2)c1 ZINC000019718793 570209992 /nfs/dbraw/zinc/20/99/92/570209992.db2.gz CNSGXAHUWMHYAI-UHFFFAOYSA-N 0 3 378.476 3.678 40 0 GHABHN COC(=O)c1cn(C(=O)C2CCN(Cc3ccccc3)CC2)c2ccccc12 ZINC000222624621 570417343 /nfs/dbraw/zinc/41/73/43/570417343.db2.gz JGCYHDXPCNYYOJ-UHFFFAOYSA-N 0 3 376.456 3.980 40 0 GHABHN COCCNCc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000008469047 570455893 /nfs/dbraw/zinc/45/58/93/570455893.db2.gz RNSKTQVPAUVXNW-UHFFFAOYSA-N 0 3 398.272 3.912 40 0 GHABHN CC[C@@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(OC)cc1 ZINC000012362802 570646358 /nfs/dbraw/zinc/64/63/58/570646358.db2.gz WTSGQAZJDITBDD-KRWDZBQOSA-N 0 3 387.549 3.660 40 0 GHABHN COc1ccccc1CC(=O)NC[C@H]1CC[C@H]([C@@H](c2ccccn2)N(C)C)CC1 ZINC000257330256 570908924 /nfs/dbraw/zinc/90/89/24/570908924.db2.gz XNPUCJFAWGCFNP-JXQFQVJHSA-N 0 3 395.547 3.858 40 0 GHABHN CCCC[C@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000019502158 570927281 /nfs/dbraw/zinc/92/72/81/570927281.db2.gz RIMQNQBIBZQPSS-OAQYLSRUSA-N 0 3 382.556 3.513 40 0 GHABHN FC(F)(F)c1cc(-c2nsc(N3CCNCC3)n2)cc(C(F)(F)F)c1 ZINC000199557966 570951205 /nfs/dbraw/zinc/95/12/05/570951205.db2.gz KUMFEOXPGIDJIH-UHFFFAOYSA-N 0 3 382.333 3.652 40 0 GHABHN COc1ccc([C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285507 570969118 /nfs/dbraw/zinc/96/91/18/570969118.db2.gz FIFQVABZFGWEAQ-LEWJYISDSA-N 0 3 393.462 3.609 40 0 GHABHN COc1ccc([C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285507 570969123 /nfs/dbraw/zinc/96/91/23/570969123.db2.gz FIFQVABZFGWEAQ-LEWJYISDSA-N 0 3 393.462 3.609 40 0 GHABHN O=C(c1ccccc1-c1ccccc1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019374242 570981564 /nfs/dbraw/zinc/98/15/64/570981564.db2.gz IBNFAZZBGXAOAF-JOCHJYFZSA-N 0 3 384.483 3.767 40 0 GHABHN CC(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccc(C(C)C)cc4)C3)ncc2C1 ZINC000019453234 570986246 /nfs/dbraw/zinc/98/62/46/570986246.db2.gz ZWPFEKNSWDKOQP-OAQYLSRUSA-N 0 3 392.547 3.884 40 0 GHABHN COc1cccc(CN2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)c1OC ZINC000019567855 571008485 /nfs/dbraw/zinc/00/84/85/571008485.db2.gz MSLBRVGSSUQPDZ-KRWDZBQOSA-N 0 3 380.448 3.528 40 0 GHABHN CSCC[C@@H]1CN2CCC[C@H]2CN1Cc1coc2ccc(Cl)cc2c1=O ZINC000019574031 571011289 /nfs/dbraw/zinc/01/12/89/571011289.db2.gz WERUBMKYLJZLGH-DLBZAZTESA-N 0 3 392.952 3.848 40 0 GHABHN CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CCCCN2CC(C)(C)C)n1 ZINC000019687699 571028600 /nfs/dbraw/zinc/02/86/00/571028600.db2.gz UZWZWEBQJLMDQS-IBGZPJMESA-N 0 3 395.551 3.882 40 0 GHABHN Cc1noc(C)c1CN1CCC2(C[C@H](CC(=O)N(C)C)c3ccccc32)CC1 ZINC000096052707 571097645 /nfs/dbraw/zinc/09/76/45/571097645.db2.gz HRQFHJBEWNJYPR-SFHVURJKSA-N 0 3 381.520 3.791 40 0 GHABHN CNC(=O)C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000096053257 571098066 /nfs/dbraw/zinc/09/80/66/571098066.db2.gz WRCMFGOKWCRHOM-GOSISDBHSA-N 0 3 382.479 3.863 40 0 GHABHN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1ccc(F)cc1)CC2 ZINC000096061352 571098529 /nfs/dbraw/zinc/09/85/29/571098529.db2.gz AUPYYUIRSXLTNN-QFIPXVFZSA-N 0 3 396.506 3.823 40 0 GHABHN CCCCOc1cccc(C(=O)Nc2cc(N)ccc2N2CCN(CC)CC2)c1 ZINC000226259866 203791056 /nfs/dbraw/zinc/79/10/56/203791056.db2.gz JRJTVIZEYYERNT-UHFFFAOYSA-N 0 3 396.535 3.842 40 0 GHABHN CC(=O)N1CCCc2cc([C@H](O)CN3CC=C(c4ccccc4)CC3)ccc21 ZINC000012291299 204388749 /nfs/dbraw/zinc/38/87/49/204388749.db2.gz TWBVHBJETUHIBZ-XMMPIXPASA-N 0 3 376.500 3.808 40 0 GHABHN Cc1ccc(NC(=O)CC2C(=O)N(C3CC3)c3nc4ccccc4n32)c(F)c1 ZINC000039964154 205044033 /nfs/dbraw/zinc/04/40/33/205044033.db2.gz BDVNBHJIDXVTIL-GOSISDBHSA-N 0 3 378.407 3.563 40 0 GHABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000039964095 205044604 /nfs/dbraw/zinc/04/46/04/205044604.db2.gz OCIJLBCPZCRQKY-KRWDZBQOSA-N 0 3 380.835 3.769 40 0 GHABHN COc1ccc(OC[C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000044908693 205089379 /nfs/dbraw/zinc/08/93/79/205089379.db2.gz WFVOUYOYNVOXMB-GOSISDBHSA-N 0 3 382.504 3.878 40 0 GHABHN O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCCN2CCCc2ccccc2)C1 ZINC000096071290 205521745 /nfs/dbraw/zinc/52/17/45/205521745.db2.gz HJPNLSWHUPFDGQ-QHCPKHFHSA-N 0 3 398.572 3.939 40 0 GHABHN CCC[C@H]1CCN(Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@H]1Nc1ccccc1 ZINC000257253689 206167676 /nfs/dbraw/zinc/16/76/76/206167676.db2.gz JZWGZPREFJDMQI-PZJWPPBQSA-N 0 3 392.547 3.980 40 0 GHABHN Fc1cccc(CN2CCC(n3cnc4ncc(-c5cccnc5)nc43)CC2)c1 ZINC000306128772 206198670 /nfs/dbraw/zinc/19/86/70/206198670.db2.gz HKESCAGTCSACRO-UHFFFAOYSA-N 0 3 388.450 3.865 40 0 GHABHN Cc1ccc(CN2CC[C@]3(C2)COCc2cnc(NCc4ccco4)nc23)cc1 ZINC000096244217 570223577 /nfs/dbraw/zinc/22/35/77/570223577.db2.gz APVFIBFGZWYLJB-QHCPKHFHSA-N 0 3 390.487 3.664 40 0 GHABHN O[C@@]1(COc2ccc(F)cc2)COCCN([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585285024 570254345 /nfs/dbraw/zinc/25/43/45/570254345.db2.gz BOYRRRRUNWGXRA-KIFXHHALSA-N 0 3 399.506 3.994 40 0 GHABHN Cc1cc(C)c2[nH]c(=O)c(CNC[C@H](O)COc3ccc(Cl)cc3)cc2c1 ZINC000585285175 570254460 /nfs/dbraw/zinc/25/44/60/570254460.db2.gz OUXKNILAJWEONG-SFHVURJKSA-N 0 3 386.879 3.740 40 0 GHABHN CC[C@H]1[C@@H](OC(=O)CC(O)(c2ccccc2)c2ccccc2)C2CCN1CC2 ZINC000001641781 570266392 /nfs/dbraw/zinc/26/63/92/570266392.db2.gz LGCQVJSQUJNJEC-GMAHTHKFSA-N 0 3 379.500 3.729 40 0 GHABHN CCOc1cc2c(cc1CN(Cc1cccnc1)C[C@H]1CCCN1CC)OCO2 ZINC000022931846 570379800 /nfs/dbraw/zinc/37/98/00/570379800.db2.gz AMYOEPRPWOAHSV-HXUWFJFHSA-N 0 3 397.519 3.696 40 0 GHABHN Cc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)c(Cl)c1 ZINC000008215743 570765579 /nfs/dbraw/zinc/76/55/79/570765579.db2.gz CNIRXEDNVVXCHY-GOSISDBHSA-N 0 3 381.863 3.594 40 0 GHABHN CC(C)C[C@H](O)C(=O)N1CCC[C@@]2(CCCN2Cc2cc(F)ccc2F)CC1 ZINC000585100376 570924537 /nfs/dbraw/zinc/92/45/37/570924537.db2.gz KMXFBALNFOBJGJ-RBBKRZOGSA-N 0 3 394.506 3.719 40 0 GHABHN Cc1ccc2oc(C(=O)N3CCCC[C@H]3c3ncc4c(n3)CCNC4)cc2c1 ZINC000019221324 570963493 /nfs/dbraw/zinc/96/34/93/570963493.db2.gz NLIKADHGHKLAQJ-SFHVURJKSA-N 0 3 376.460 3.544 40 0 GHABHN O=C(c1cc(C2CCCCC2)no1)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019292186 570972399 /nfs/dbraw/zinc/97/23/99/570972399.db2.gz ZVBCBYAQHALFHB-LJQANCHMSA-N 0 3 395.507 3.525 40 0 GHABHN CCN1CCC(n2nccc2NC(=O)c2cc(-c3ccccc3F)no2)CC1 ZINC000019527059 570997655 /nfs/dbraw/zinc/99/76/55/570997655.db2.gz LSDCUCMAGRHDQG-UHFFFAOYSA-N 0 3 383.427 3.586 40 0 GHABHN COc1ccc2c(CN[C@@H]3CCC(=O)N[C@H]3c3cc(F)cc(F)c3)c[nH]c2c1 ZINC000019563133 571006497 /nfs/dbraw/zinc/00/64/97/571006497.db2.gz PBZZURVNFIIUMW-NQIIRXRSSA-N 0 3 385.414 3.564 40 0 GHABHN O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCc2ccccc21)Nc1ccccc1 ZINC000008623263 291134633 /nfs/dbraw/zinc/13/46/33/291134633.db2.gz XHLTWWDSKQNPBD-TUNNFDKTSA-N 0 3 390.531 3.581 40 0 biogenic,in-vitro GHABHN COc1cc(CNC[C@H](C)O)cc(Br)c1OCc1ccccc1 ZINC000008497877 204278405 /nfs/dbraw/zinc/27/84/05/204278405.db2.gz AONOAGZFRXAGIU-ZDUSSCGKSA-N 0 3 380.282 3.507 40 0 GHABHN CCn1c(CN2CCC[C@@H](c3nnc(-c4cccnc4)[nH]3)C2)nc2ccccc21 ZINC000012087318 204370563 /nfs/dbraw/zinc/37/05/63/204370563.db2.gz JXHQAHUBKMAOHR-QGZVFWFLSA-N 0 3 387.491 3.616 40 0 GHABHN CC[C@@H](CN1CCCCC1)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000012239796 204386422 /nfs/dbraw/zinc/38/64/22/204386422.db2.gz KNVUQMXWGKWSAJ-KRWDZBQOSA-N 0 3 375.513 3.872 40 0 GHABHN COc1ccc2c(c1)C=C(CN1CCC[C@](O)(c3ccc(F)cc3)CC1)CO2 ZINC000012251869 204388365 /nfs/dbraw/zinc/38/83/65/204388365.db2.gz ULUWDLHCBOMXDH-HSZRJFAPSA-N 0 3 383.463 3.984 40 0 GHABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(C)c(C)c3)CC1)C[C@@H]2O ZINC000012293498 204388654 /nfs/dbraw/zinc/38/86/54/204388654.db2.gz ODYPCQLMKNRRSJ-FCHUYYIVSA-N 0 3 397.515 3.696 40 0 GHABHN COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000072345957 205329701 /nfs/dbraw/zinc/32/97/01/205329701.db2.gz YUXJZTQNZYHRKH-SFHVURJKSA-N 0 3 375.476 3.509 40 0 GHABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 ZINC000223289094 205997452 /nfs/dbraw/zinc/99/74/52/205997452.db2.gz DRLCVYZRBBNDIO-WOJBJXKFSA-N 0 3 383.565 3.532 40 0 GHABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc2cc(OC)ccc2c1 ZINC000225500190 206053698 /nfs/dbraw/zinc/05/36/98/206053698.db2.gz HTOHWIBVKYQSRW-IBGZPJMESA-N 0 3 390.549 3.781 40 0 GHABHN COC(=O)c1cccc(NC(=S)NCCCN2CCc3ccccc3C2)c1C ZINC000225743187 206072658 /nfs/dbraw/zinc/07/26/58/206072658.db2.gz LBLVKYFKKLEXMJ-UHFFFAOYSA-N 0 3 397.544 3.516 40 0 GHABHN COc1cccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000225772098 206074891 /nfs/dbraw/zinc/07/48/91/206074891.db2.gz JYQQPRBWMSVUAF-UHFFFAOYSA-N 0 3 385.533 3.655 40 0 GHABHN COc1ccc(CNC[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cc1 ZINC000096112922 206117641 /nfs/dbraw/zinc/11/76/41/206117641.db2.gz AVCGSSRFMSCWPF-IBGZPJMESA-N 0 3 383.879 3.901 40 0 biogenic,in-vitro GHABHN CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 ZINC000257301827 206175541 /nfs/dbraw/zinc/17/55/41/206175541.db2.gz SACMWWAHJFCBGD-GOSISDBHSA-N 0 3 396.535 3.813 40 0 GHABHN CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CCN(Cc3cccc(C)c3)C2)nc1C ZINC000257266576 206169286 /nfs/dbraw/zinc/16/92/86/206169286.db2.gz MDPHYOBVGPQBTL-OAQYLSRUSA-N 0 3 394.563 3.802 40 0 GHABHN CC1(C)[C@@H]2C[C@H]1C(CN1CC[C@@]3(C1)COCc1cnc(NC4CC4)nc13)=CC2 ZINC000306142591 206207001 /nfs/dbraw/zinc/20/70/01/206207001.db2.gz XDXZTBOPFRAGOW-WCAVRKLYSA-N 0 3 380.536 3.517 40 0 GHABHN COc1ccc(CN2CC[C@@]3(C2)CN(Cc2ccccn2)c2cccnc23)cc1 ZINC000306124718 206197448 /nfs/dbraw/zinc/19/74/48/206197448.db2.gz BXODMCHKGILMOF-XMMPIXPASA-N 0 3 386.499 3.649 40 0 GHABHN Cc1ncsc1C(=O)N[C@H]1CCCC[C@@]12CN(CCC(C)(C)C)CCO2 ZINC000306127658 206198336 /nfs/dbraw/zinc/19/83/36/206198336.db2.gz GEFSAOIXOFACBJ-OXJNMPFZSA-N 0 3 379.570 3.631 40 0 GHABHN CN1Cc2nnc(-c3ccco3)n2C2(CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000306133392 206200797 /nfs/dbraw/zinc/20/07/97/206200797.db2.gz MKBNNRBOZCKMIA-UHFFFAOYSA-N 0 3 397.910 3.628 40 0 GHABHN Cc1nn(C)cc1-c1cc(C(=O)Nc2cccc(CN3CCCC[C@@H]3C)c2)n[nH]1 ZINC000019718742 570209838 /nfs/dbraw/zinc/20/98/38/570209838.db2.gz CWNOMJWGWPWXSX-HNNXBMFYSA-N 0 3 392.507 3.745 40 0 GHABHN CCC[C@@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000020142140 570243010 /nfs/dbraw/zinc/24/30/10/570243010.db2.gz MNNNWKWJEIMUJC-QFIPXVFZSA-N 0 3 396.583 3.707 40 0 GHABHN Cc1ccc(C)c2[nH]c(=O)c(CNC[C@H](O)COc3c(C)cccc3C)cc12 ZINC000585283910 570252231 /nfs/dbraw/zinc/25/22/31/570252231.db2.gz IQLFESUDJUSRGT-IBGZPJMESA-N 0 3 380.488 3.704 40 0 GHABHN FC(F)(F)c1nc(-c2ccc([C@H]3CCCN(Cc4cccnc4)C3)nc2)no1 ZINC000585289047 570256882 /nfs/dbraw/zinc/25/68/82/570256882.db2.gz CIIOCLKVIQOWGG-HNNXBMFYSA-N 0 3 389.381 3.925 40 0 GHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccccc1 ZINC000020634748 570273475 /nfs/dbraw/zinc/27/34/75/570273475.db2.gz BKGSDNFWHOJGLJ-GOSISDBHSA-N 0 3 378.428 3.515 40 0 GHABHN Fc1ccc(COc2ccc(Cl)cc2CNCCCN2CCOCC2)cc1 ZINC000022074118 570304787 /nfs/dbraw/zinc/30/47/87/570304787.db2.gz JOVRNBALOUIQON-UHFFFAOYSA-N 0 3 392.902 3.870 40 0 GHABHN Clc1ccc(COc2ccc(CNCCN3CCOCC3)cc2)c(Cl)c1 ZINC000023263534 570353233 /nfs/dbraw/zinc/35/32/33/570353233.db2.gz LQSUFVFEGQEAJR-UHFFFAOYSA-N 0 3 395.330 3.994 40 0 GHABHN O=C(NCCCN1CCc2ccccc21)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039753884 570447240 /nfs/dbraw/zinc/44/72/40/570447240.db2.gz LUJXXXYWKCBGNG-UHFFFAOYSA-N 0 3 395.522 3.607 40 0 GHABHN Cc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)c2c1 ZINC000008570165 570771742 /nfs/dbraw/zinc/77/17/42/570771742.db2.gz LQZPQELOMSFSDW-IBGZPJMESA-N 0 3 381.863 3.594 40 0 GHABHN CC(C)c1cc(C(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)N(C)C)CC2)[nH]n1 ZINC000257284229 570902503 /nfs/dbraw/zinc/90/25/03/570902503.db2.gz PBUXOSXRSYECEW-CBGDNZLLSA-N 0 3 383.540 3.767 40 0 GHABHN Cc1nc(C)c(CN2CCC[C@]3(CCC(=O)N3Cc3cncs3)CC2)s1 ZINC000585100179 570924078 /nfs/dbraw/zinc/92/40/78/570924078.db2.gz HEVDGTBDBRXEDL-IBGZPJMESA-N 0 3 390.578 3.764 40 0 GHABHN Cc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(C3CCCC3)CC2)cc1 ZINC000020121777 570941589 /nfs/dbraw/zinc/94/15/89/570941589.db2.gz DEJFVJKGSUXMJK-QFIPXVFZSA-N 0 3 394.567 3.746 40 0 GHABHN COc1ccc([C@H]2CN(Cc3ccccc3OC)[C@@H]3CCCN(C(C)=O)[C@@H]32)cc1 ZINC000019017776 570954565 /nfs/dbraw/zinc/95/45/65/570954565.db2.gz KDMUSPSLVFZBIM-CQOQZXRMSA-N 0 3 394.515 3.683 40 0 GHABHN Cc1ccc([C@@H](C)C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)cc1 ZINC000019136091 570958895 /nfs/dbraw/zinc/95/88/95/570958895.db2.gz HQSNGCVGYDNRSF-UTKZUKDTSA-N 0 3 378.520 3.630 40 0 GHABHN COc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2ncccc2C)cc1OC ZINC000019237688 570967410 /nfs/dbraw/zinc/96/74/10/570967410.db2.gz CBKQIYAWIBYUME-LIMIJEPZSA-N 0 3 382.504 3.527 40 0 GHABHN O=C1NCCN(CCCc2ccccc2)C[C@@H]1Cc1ccccc1-c1cccnc1 ZINC000019371131 570980627 /nfs/dbraw/zinc/98/06/27/570980627.db2.gz HABJUQOWEOKHJH-DEOSSOPVSA-N 0 3 399.538 3.972 40 0 GHABHN c1ccc2c(CN3CCC4(CC3)Nc3ccccc3C3=NCCN34)ccnc2c1 ZINC000019376074 570982474 /nfs/dbraw/zinc/98/24/74/570982474.db2.gz FIFMCTKGYXHLDR-UHFFFAOYSA-N 0 3 383.499 3.715 40 0 GHABHN CC1CCN([C@@H](CNC(=O)c2ccc(Cn3ccnc3)o2)c2ccccc2)CC1 ZINC000019496808 570990017 /nfs/dbraw/zinc/99/00/17/570990017.db2.gz USVYRBPMRIWRHL-NRFANRHFSA-N 0 3 392.503 3.727 40 0 GHABHN CCCN1CCC(C[C@@H]2CC(c3ccccc3F)=NO2)(C(=O)OCC)CC1 ZINC000019502609 570993578 /nfs/dbraw/zinc/99/35/78/570993578.db2.gz MXVCELVNMGKYEC-INIZCTEOSA-N 0 3 376.472 3.764 40 0 GHABHN CCCNC(=O)c1cc([C@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 ZINC000019503728 570993725 /nfs/dbraw/zinc/99/37/25/570993725.db2.gz IFPLCHBAMTXVNA-KRWDZBQOSA-N 0 3 378.476 3.742 40 0 GHABHN CCOc1ncccc1C(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C ZINC000019531467 570998498 /nfs/dbraw/zinc/99/84/98/570998498.db2.gz QOKHSMVOZDATTO-CEMLEFRQSA-N 0 3 393.531 3.963 40 0 GHABHN CCOc1cc(CN2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)ccc1OC ZINC000019531889 570999247 /nfs/dbraw/zinc/99/92/47/570999247.db2.gz BXNKOQMULQOORE-YYDVJCTNSA-N 0 3 382.504 3.527 40 0 GHABHN COc1cccc(CN2C[C@@H](c3ccc(F)cc3)[C@H](c3cc[nH]n3)C2)c1OC ZINC000019568091 571008728 /nfs/dbraw/zinc/00/87/28/571008728.db2.gz QHYWAFKOIACGPW-RBUKOAKNSA-N 0 3 381.451 3.949 40 0 GHABHN COc1ccc(CN2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)cc1 ZINC000096037103 571096638 /nfs/dbraw/zinc/09/66/38/571096638.db2.gz AAVJPZDDXWNWMV-UHFFFAOYSA-N 0 3 388.515 3.653 40 0 GHABHN CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000009063566 856410172 /nfs/dbraw/zinc/41/01/72/856410172.db2.gz RQLDYIIYBBVEJK-UHFFFAOYSA-N 0 3 384.451 3.853 40 0 GHABHN O=C(COc1ccc2ccccc2c1)N1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000020083516 860485362 /nfs/dbraw/zinc/48/53/62/860485362.db2.gz NAZVMRKYJCRHEF-BVYCBKJFSA-N 0 3 376.500 3.575 40 0 GHABHN CCOC(=O)C1(c2ccccc2)CCN(CCOc2ccccc2OC)CC1 ZINC000005325200 204125603 /nfs/dbraw/zinc/12/56/03/204125603.db2.gz XGTQISAFDRHZDY-UHFFFAOYSA-N 0 3 383.488 3.671 40 0 GHABHN CC[C@@H](CN1CCCCC1)NC(=O)Cc1csc(-c2ccccc2F)n1 ZINC000012239804 204386199 /nfs/dbraw/zinc/38/61/99/204386199.db2.gz DXHCZOAMJLSDMC-HNNXBMFYSA-N 0 3 375.513 3.872 40 0 GHABHN CC[C@H](CN1CCCCC1)NC(=O)Cc1csc(-c2ccccc2F)n1 ZINC000012239808 204386447 /nfs/dbraw/zinc/38/64/47/204386447.db2.gz DXHCZOAMJLSDMC-OAHLLOKOSA-N 0 3 375.513 3.872 40 0 GHABHN CC(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCc4ccccc4C3)ccc21 ZINC000012291381 204389141 /nfs/dbraw/zinc/38/91/41/204389141.db2.gz DHTNLHAXYWIZAL-QHCPKHFHSA-N 0 3 378.516 3.714 40 0 GHABHN O[C@@H](CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc2ccccc2c1 ZINC000012292300 204389385 /nfs/dbraw/zinc/38/93/85/204389385.db2.gz ZXDHLFIMIQVJNC-NRFANRHFSA-N 0 3 391.467 3.586 40 0 GHABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(C)c(C)c3)CC1)O2 ZINC000012293507 204389402 /nfs/dbraw/zinc/38/94/02/204389402.db2.gz BDMRJLAITIJBIC-YADHBBJMSA-N 0 3 397.515 3.696 40 0 GHABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2c(c1)CCC2 ZINC000012330140 204398126 /nfs/dbraw/zinc/39/81/26/204398126.db2.gz PLUDDOXJYPWKRH-YADHBBJMSA-N 0 3 379.500 3.559 40 0 GHABHN CCOc1ccccc1NC(=O)CC1C(=O)N(C2CC2)c2nc3ccccc3n21 ZINC000039964122 205044313 /nfs/dbraw/zinc/04/43/13/205044313.db2.gz MMCFDOVKTIHKJY-GOSISDBHSA-N 0 3 390.443 3.514 40 0 GHABHN CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(CC[C@H](C)c1ccccc1)C2 ZINC000072390850 205341815 /nfs/dbraw/zinc/34/18/15/205341815.db2.gz RZJOEOAPSTZYRM-JTSKRJEESA-N 0 3 378.520 3.712 40 0 GHABHN CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cccc(Cc2cccc(F)c2)n1 ZINC000257230915 206162270 /nfs/dbraw/zinc/16/22/70/206162270.db2.gz GEMLWMUGZBJRGW-GMAHTHKFSA-N 0 3 381.495 3.900 40 0 GHABHN CN1CCC[C@@H]2N(C(=O)c3cncc(Cc4cccc(F)c4)c3)CCC[C@@]21C ZINC000257263770 206169591 /nfs/dbraw/zinc/16/95/91/206169591.db2.gz LRIUZBPTZKJEMT-GMAHTHKFSA-N 0 3 381.495 3.900 40 0 GHABHN Fc1ccc(CN2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cc1 ZINC000306139800 206205230 /nfs/dbraw/zinc/20/52/30/206205230.db2.gz UAWYEGHIEVFEAC-SFHVURJKSA-N 0 3 379.483 3.848 40 0 GHABHN Cc1ncsc1CN1CCC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306128912 206199496 /nfs/dbraw/zinc/19/94/96/206199496.db2.gz HOGDWFJITCZMBD-GOSISDBHSA-N 0 3 390.516 3.936 40 0 GHABHN CC(C)N(C)C(=O)c1ccc2c(c1)C1(CCO2)CCN(Cc2ccncc2)CC1 ZINC000306140351 206204368 /nfs/dbraw/zinc/20/43/68/206204368.db2.gz UQZBSROHDROASA-UHFFFAOYSA-N 0 3 393.531 3.878 40 0 GHABHN COC(=O)c1ccc2c(c1)CCN(c1cc(NCc3ccccc3)nc(C)n1)C2 ZINC000329034842 570214037 /nfs/dbraw/zinc/21/40/37/570214037.db2.gz RAZDJVHJAZSJOH-UHFFFAOYSA-N 0 3 388.471 3.746 40 0 GHABHN Cc1cc(C)c2[nH]c(=O)c(CNC[C@H](O)COc3ccc(C)c(C)c3)cc2c1 ZINC000585283793 570251919 /nfs/dbraw/zinc/25/19/19/570251919.db2.gz HREGKUAZIQNRKM-FQEVSTJZSA-N 0 3 380.488 3.704 40 0 GHABHN CC(C)(C)[C@H]1CC[C@H](N2CC[C@H](O)[C@@](O)(COc3cc(F)ccc3F)C2)CC1 ZINC000585284910 570254330 /nfs/dbraw/zinc/25/43/30/570254330.db2.gz AQKXXZHWIYVFQP-SJJRHLGGSA-N 0 3 397.506 3.746 40 0 GHABHN Cc1cccc(CN2CCC(C(=O)NCCCN3CCc4ccccc43)CC2)c1 ZINC000039768896 570446589 /nfs/dbraw/zinc/44/65/89/570446589.db2.gz ZSMXSDYURCMBQK-UHFFFAOYSA-N 0 3 391.559 3.776 40 0 GHABHN C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013676584 570772065 /nfs/dbraw/zinc/77/20/65/570772065.db2.gz HGSIMIKVWUOIQA-ZIAGYGMSSA-N 0 3 393.380 3.781 40 0 GHABHN Cc1ncc(CN2CCC[C@@]3(CCC(=O)N3Cc3csc(C)n3)CC2)s1 ZINC000585100224 570924214 /nfs/dbraw/zinc/92/42/14/570924214.db2.gz IBSLHZFVPKMLMX-LJQANCHMSA-N 0 3 390.578 3.764 40 0 GHABHN Cc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1 ZINC000019136083 570959096 /nfs/dbraw/zinc/95/90/96/570959096.db2.gz HQSNGCVGYDNRSF-DYESRHJHSA-N 0 3 378.520 3.630 40 0 GHABHN COc1cc(CN2CCC[C@@H](c3nn(C)c4nccnc34)C2)ccc1OC(C)C ZINC000019450762 570984913 /nfs/dbraw/zinc/98/49/13/570984913.db2.gz QLSGQKAXCQXEJP-QGZVFWFLSA-N 0 3 395.507 3.539 40 0 GHABHN CCCN1CCC(C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)OCC)CC1 ZINC000019502601 570993388 /nfs/dbraw/zinc/99/33/88/570993388.db2.gz OFFSWJAXDFTAMQ-SFHVURJKSA-N 0 3 376.472 3.764 40 0 GHABHN COc1ccc(C(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)CN3C)cn1 ZINC000019590815 571018616 /nfs/dbraw/zinc/01/86/16/571018616.db2.gz MMRWRUHXJHYWGQ-VWPQPMDRSA-N 0 3 397.494 3.712 40 0 GHABHN Cn1cnc2cc(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)ccc21 ZINC000019718442 571041342 /nfs/dbraw/zinc/04/13/42/571041342.db2.gz OPBMBKRPBOWCSL-UHFFFAOYSA-N 0 3 378.476 3.690 40 0 GHABHN O=C(C[C@@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21)NC1CC1 ZINC000096052993 571097677 /nfs/dbraw/zinc/09/76/77/571097677.db2.gz FAHFDZHSHHKZME-LJQANCHMSA-N 0 3 375.516 3.771 40 0 GHABHN COc1ccccc1[C@]1(O)CCC[C@@H]2CN(Cc3cnc(C(C)C)nc3)C[C@H]21 ZINC000248205044 870317883 /nfs/dbraw/zinc/31/78/83/870317883.db2.gz ZMAOSUYZYDLIEB-KKLQWCBXSA-N 0 3 381.520 3.728 40 0 GHABHN Cc1cc(C)n(-c2cccc(CN(Cc3ccc4c(c3)OCO4)C[C@H](C)O)c2)n1 ZINC000012185713 204379500 /nfs/dbraw/zinc/37/95/00/204379500.db2.gz MRBNOKQYRMLVCE-SFHVURJKSA-N 0 3 393.487 3.601 40 0 GHABHN Cc1[nH]c2ccc(F)cc2c1CC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000012238179 204387041 /nfs/dbraw/zinc/38/70/41/204387041.db2.gz HBLDAJPRXLCZEF-UHFFFAOYSA-N 0 3 385.458 3.887 40 0 GHABHN Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1C ZINC000012293540 204389381 /nfs/dbraw/zinc/38/93/81/204389381.db2.gz VDORHKNLOZMKFB-LEWJYISDSA-N 0 3 385.479 3.827 40 0 GHABHN Cc1ccc2oc(C(=O)N3CCCC[C@@H]3c3ncc4c(n3)CCNC4)cc2c1 ZINC000019221322 204631797 /nfs/dbraw/zinc/63/17/97/204631797.db2.gz NLIKADHGHKLAQJ-GOSISDBHSA-N 0 3 376.460 3.544 40 0 GHABHN CN1CCC(C(=O)N2CCC[C@@H](c3cccc(Cc4ccccc4F)n3)C2)CC1 ZINC000072350397 205330149 /nfs/dbraw/zinc/33/01/49/205330149.db2.gz DSCOFTZNBXSECW-HXUWFJFHSA-N 0 3 395.522 3.859 40 0 GHABHN COc1cccc(-c2cccc([C@H]3CCCN(C(=O)C4CCN(C)CC4)C3)n2)c1 ZINC000072350382 205331414 /nfs/dbraw/zinc/33/14/14/205331414.db2.gz QUVOFFHKTBXGBD-FQEVSTJZSA-N 0 3 393.531 3.805 40 0 GHABHN COCCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(OC)cc3)cc(C)n2)C1 ZINC000072352032 205331905 /nfs/dbraw/zinc/33/19/05/205331905.db2.gz MIBJOJHDYKBNJC-QGZVFWFLSA-N 0 3 383.492 3.885 40 0 GHABHN Cc1nn(C)cc1CN1CC[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371465 205336276 /nfs/dbraw/zinc/33/62/76/205336276.db2.gz CNAICARGPPTTLQ-INIZCTEOSA-N 0 3 399.926 3.716 40 0 GHABHN Cc1nn(C)cc1CN1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371465 205336280 /nfs/dbraw/zinc/33/62/80/205336280.db2.gz CNAICARGPPTTLQ-INIZCTEOSA-N 0 3 399.926 3.716 40 0 GHABHN COc1ccc(Br)cc1CN1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000224084787 206012188 /nfs/dbraw/zinc/01/21/88/206012188.db2.gz FRJUIIYCYYSTGB-GVDBMIGSSA-N 0 3 391.353 3.788 40 0 GHABHN CN1CCC(Oc2ccc(CNC(=S)Nc3ccc(F)cc3F)cc2)CC1 ZINC000225772739 206074725 /nfs/dbraw/zinc/07/47/25/206074725.db2.gz MBLILVHMWKLUAS-UHFFFAOYSA-N 0 3 391.487 3.924 40 0 GHABHN COc1cc2c(c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4C)c1O)[C@H](C)NCC2 ZINC000245241158 206134015 /nfs/dbraw/zinc/13/40/15/206134015.db2.gz YEMKSFIYOHUWLM-UONOGXRCSA-N 0 3 398.503 3.957 40 0 GHABHN Cc1c(CN2CCC(c3cc(Nc4ccccn4)cc(C)n3)CC2)cnn1C ZINC000257246233 206166894 /nfs/dbraw/zinc/16/68/94/206166894.db2.gz ITFBZDLNWZSEEW-UHFFFAOYSA-N 0 3 376.508 3.950 40 0 GHABHN Cc1ncsc1-c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)C3)ccn1 ZINC000257257893 206168141 /nfs/dbraw/zinc/16/81/41/206168141.db2.gz KRNDBLGYNLRPNW-YNFBMLRVSA-N 0 3 396.560 3.991 40 0 GHABHN Fc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccc5c(c4)OCO5)C2)C3)cc1 ZINC000306145074 206206874 /nfs/dbraw/zinc/20/68/74/206206874.db2.gz ZWZXMLHSRMZIBS-HSZRJFAPSA-N 0 3 391.446 3.866 40 0 GHABHN Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccc5[nH]ccc5c4)C3)C2)n1 ZINC000096216208 570219491 /nfs/dbraw/zinc/21/94/91/570219491.db2.gz NMSZLXINRBPLBT-DEOSSOPVSA-N 0 3 388.515 4.000 40 0 GHABHN Cc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)/C=C/CN(C)C)C3)c2)n1 ZINC000585291312 570259796 /nfs/dbraw/zinc/25/97/96/570259796.db2.gz AYMUNKRAJVCBBY-BQHJZSHBSA-N 0 3 393.535 3.661 40 0 GHABHN CN1CCC(Oc2ccc(NC(=O)CCc3ccc4c(c3)OCCO4)cc2)CC1 ZINC000222648261 570418757 /nfs/dbraw/zinc/41/87/57/570418757.db2.gz FUQVKMNSPWRRPH-UHFFFAOYSA-N 0 3 396.487 3.502 40 0 GHABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 ZINC000223282869 570455744 /nfs/dbraw/zinc/45/57/44/570455744.db2.gz PBVQOIQIKOCRSG-SFTDATJTSA-N 0 3 392.528 3.876 40 0 GHABHN COc1ccc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2ccc(OC)c(OC)c2)C3)cc1 ZINC000012361612 570645598 /nfs/dbraw/zinc/64/55/98/570645598.db2.gz JVYFPZZCJBKULN-VXMMSVGHSA-N 0 3 397.515 3.832 40 0 GHABHN Fc1ccc(CN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 ZINC000012407909 570654826 /nfs/dbraw/zinc/65/48/26/570654826.db2.gz YYMXMNXPIYDNMJ-JKSUJKDBSA-N 0 3 383.393 3.617 40 0 GHABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000226259317 570935178 /nfs/dbraw/zinc/93/51/78/570935178.db2.gz ZQYYVOLLHGRXCV-UHFFFAOYSA-N 0 3 393.318 3.970 40 0 GHABHN CNc1ncccc1CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(C)=O ZINC000019017599 570954416 /nfs/dbraw/zinc/95/44/16/570954416.db2.gz XOVUIZCPUHDHGH-DNVJHFABSA-N 0 3 392.547 3.882 40 0 GHABHN O=C(NC1CCN(CC2(c3ccccc3F)CCCC2)CC1)C1CCOCC1 ZINC000019347908 570978715 /nfs/dbraw/zinc/97/87/15/570978715.db2.gz XLIDFXARBZZTET-UHFFFAOYSA-N 0 3 388.527 3.645 40 0 GHABHN Cc1c2cc(F)ccc2oc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019565605 571007377 /nfs/dbraw/zinc/00/73/77/571007377.db2.gz HROJASPKDHVBQA-SFHVURJKSA-N 0 3 394.450 3.636 40 0 GHABHN Cc1c(CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cnn1C ZINC000019694087 571029526 /nfs/dbraw/zinc/02/95/26/571029526.db2.gz GVDLGBSHQQCDHO-LJQANCHMSA-N 0 3 390.535 3.631 40 0 GHABHN CC(=O)N1CCC[C@H]1c1cc(N2CCN(Cc3ccc(F)cc3)CC2)cc(C)n1 ZINC000019698262 571030400 /nfs/dbraw/zinc/03/04/00/571030400.db2.gz SCAKULCMVNJWGC-QHCPKHFHSA-N 0 3 396.510 3.535 40 0 GHABHN C[C@@H]1CCCN(c2ncc(CNCC3(c4cccc(F)c4)CCOCC3)cn2)C1 ZINC000019715676 571037210 /nfs/dbraw/zinc/03/72/10/571037210.db2.gz WZUOPWCXMKCAKE-GOSISDBHSA-N 0 3 398.526 3.690 40 0 GHABHN O=C(Cc1cccnc1)N1CCC2(CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000096047333 571097214 /nfs/dbraw/zinc/09/72/14/571097214.db2.gz YLSWITUMHGXTQG-UHFFFAOYSA-N 0 3 381.495 3.668 40 0 GHABHN COc1ccc(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000009062731 856410052 /nfs/dbraw/zinc/41/00/52/856410052.db2.gz YWAZNAXBTWIGRT-UHFFFAOYSA-N 0 3 384.495 3.795 40 0 GHABHN CC(=O)N1CCCC[C@@H]2[C@H]1CCN2Cc1c(C)nn(Cc2ccccc2)c1C ZINC000019712478 856425815 /nfs/dbraw/zinc/42/58/15/856425815.db2.gz MOXBZGVGFJVFPP-DHIUTWEWSA-N 0 3 380.536 3.524 40 0 GHABHN CCc1nnsc1C(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2C ZINC000019711670 856426346 /nfs/dbraw/zinc/42/63/46/856426346.db2.gz XKUJPICTEJOFHU-RLLQIKCJSA-N 0 3 398.576 3.801 40 0 GHABHN COc1ccc2c(c1)C(=O)N[C@]1(CCN([C@H](C)Cc3ccccc3F)C1)CC2 ZINC000247956735 880093318 /nfs/dbraw/zinc/09/33/18/880093318.db2.gz OVBSVHJFZZWAJS-MWTRTKDXSA-N 0 3 382.479 3.586 40 0 GHABHN CCN(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(N2CCN(C)CC2)cc1 ZINC000013564231 203794535 /nfs/dbraw/zinc/79/45/35/203794535.db2.gz GMSAYGHNSNKDBU-UHFFFAOYSA-N 0 3 390.531 3.615 40 0 GHABHN COc1cc(CNC[C@H](C)O)cc(Br)c1OCc1ccccc1F ZINC000008497882 204278263 /nfs/dbraw/zinc/27/82/63/204278263.db2.gz NIHDAKLZNZBEIH-LBPRGKRZSA-N 0 3 398.272 3.646 40 0 GHABHN CCc1nccn1Cc1cc(CN2CC[C@@](O)(c3ccccc3)C2)ccc1OC ZINC000012147705 204376570 /nfs/dbraw/zinc/37/65/70/204376570.db2.gz UXOMZKMNOWDCEQ-DEOSSOPVSA-N 0 3 391.515 3.596 40 0 GHABHN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(C)c(C)c3)CC1)O2 ZINC000012293550 204389243 /nfs/dbraw/zinc/38/92/43/204389243.db2.gz HFIBPYNGULSOGC-VXKWHMMOSA-N 0 3 381.516 3.996 40 0 GHABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2c(c1)CCCC2 ZINC000012330237 204398412 /nfs/dbraw/zinc/39/84/12/204398412.db2.gz OXSDXEJQZORRNL-DHIUTWEWSA-N 0 3 393.527 3.950 40 0 GHABHN C[C@H]1CCCN(c2ncc(CNCC3(c4cccc(F)c4)CCOCC3)cn2)C1 ZINC000019715677 204675479 /nfs/dbraw/zinc/67/54/79/204675479.db2.gz WZUOPWCXMKCAKE-SFHVURJKSA-N 0 3 398.526 3.690 40 0 GHABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1cccc(Cl)c1 ZINC000039964107 205044787 /nfs/dbraw/zinc/04/47/87/205044787.db2.gz OEBJGSYAZKEWQR-KRWDZBQOSA-N 0 3 380.835 3.769 40 0 GHABHN Cc1ccccc1OC[C@H](C)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000044852593 205088388 /nfs/dbraw/zinc/08/83/88/205088388.db2.gz JULNHOGUGNQMSV-SFHVURJKSA-N 0 3 384.495 3.930 40 0 GHABHN CN1CCC(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)CC1 ZINC000072350379 205331123 /nfs/dbraw/zinc/33/11/23/205331123.db2.gz NOXCEPLEJUAXIS-LJQANCHMSA-N 0 3 381.495 3.936 40 0 GHABHN COc1ccc(CN2C[C@@H](c3ccc(F)cc3)[C@H](c3cc[nH]n3)C2)c(OC)c1 ZINC000072395566 205344122 /nfs/dbraw/zinc/34/41/22/205344122.db2.gz FOVHFKMPQOTODF-VQTJNVASSA-N 0 3 381.451 3.949 40 0 GHABHN COc1ccccc1CNC(=O)c1ncccc1-c1cccc(CN(C)C)c1 ZINC000257334468 206181397 /nfs/dbraw/zinc/18/13/97/206181397.db2.gz YGAONLAXTZVCHV-UHFFFAOYSA-N 0 3 375.472 3.749 40 0 GHABHN Cc1ccc2cc(CNc3ccc(N4CCN(C)CC4)cc3)c(=O)[nH]c2c1C ZINC000072396115 136169193 /nfs/dbraw/zinc/16/91/93/136169193.db2.gz RXIDHIIIGHMQFR-UHFFFAOYSA-N 0 3 376.504 3.509 40 0 GHABHN Cc1ccc2[nH]c(=O)c(CN(C)c3ccc(N4CCN(C)CC4)cc3C)cc2c1 ZINC000013565499 136201081 /nfs/dbraw/zinc/20/10/81/136201081.db2.gz SNJJSRJGZZQNRQ-UHFFFAOYSA-N 0 3 390.531 3.533 40 0 GHABHN COc1ccc2c(c1O)[C@]13CCN(C)[C@H](C2)[C@@H]1C(Br)=CC=C3C ZINC000096316403 560054023 /nfs/dbraw/zinc/05/40/23/560054023.db2.gz FCXBYZRFHRNZPT-DKSSEZFCSA-N 0 3 376.294 3.754 40 0 biogenic,in-vitro GHABHN CN(C)c1ccc(-c2nnc([C@H]3CCN(Cc4ccc5c(c4)OCO5)C3)o2)cc1 ZINC000049170224 560084474 /nfs/dbraw/zinc/08/44/74/560084474.db2.gz WNUCGUAHCCCTJM-KRWDZBQOSA-N 0 3 392.459 3.521 40 0 biogenic,in-vitro GHABHN C/C(=C\c1ccccc1)CN1CCC(c2ccc(C(=O)N(C)C)c(N)n2)CC1 ZINC000019765925 570217614 /nfs/dbraw/zinc/21/76/14/570217614.db2.gz AMLNJMVIDVHBCI-BMRADRMJSA-N 0 3 378.520 3.649 40 0 GHABHN Cc1cccc(CN2CCC3(CC2)CN(C(=O)C(C)C)Cc2ccccc23)n1 ZINC000096242618 570223089 /nfs/dbraw/zinc/22/30/89/570223089.db2.gz JOJHHFSRWOYRHQ-UHFFFAOYSA-N 0 3 377.532 3.922 40 0 GHABHN CC[C@@H]1[C@@H](OC(=O)CC(O)(c2ccccc2)c2ccccc2)C2CCN1CC2 ZINC000001641782 570266352 /nfs/dbraw/zinc/26/63/52/570266352.db2.gz LGCQVJSQUJNJEC-GGAORHGYSA-N 0 3 379.500 3.729 40 0 GHABHN CCOc1c(OC)cc(-c2nnc(SCCN(CC)CC)o2)cc1OC ZINC000001872009 570269631 /nfs/dbraw/zinc/26/96/31/570269631.db2.gz NUJNXEZGNOZAOS-UHFFFAOYSA-N 0 3 381.498 3.586 40 0 GHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(F)cc1 ZINC000020798513 570281015 /nfs/dbraw/zinc/28/10/15/570281015.db2.gz ATQGOCJUQCHMHC-SFHVURJKSA-N 0 3 396.418 3.654 40 0 GHABHN COc1ccc(OC[C@H](O)CN(C)Cc2c3cc(C)cnc3[nH]c2C(C)C)cc1 ZINC000057773798 570373659 /nfs/dbraw/zinc/37/36/59/570373659.db2.gz GCEHITWBMSRGAF-QGZVFWFLSA-N 0 3 397.519 3.875 40 0 GHABHN N=C1c2ccccc2CN1CC(=O)c1ccc(OC(F)F)cc1OC(F)F ZINC000001509194 570540909 /nfs/dbraw/zinc/54/09/09/570540909.db2.gz UKSUTIQVRCLXDP-UHFFFAOYSA-N 0 3 382.313 3.913 40 0 GHABHN Cc1cccc(CN2CCOC[C@]3(CC(=O)N([C@@H](C)c4ccccc4)C3)C2)c1 ZINC000585104773 570933634 /nfs/dbraw/zinc/93/36/34/570933634.db2.gz SZGNEPFJFYQHTA-GBXCKJPGSA-N 0 3 378.516 3.807 40 0 GHABHN Cc1cccc(CN2CCOC[C@@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)c1 ZINC000585104780 570933767 /nfs/dbraw/zinc/93/37/67/570933767.db2.gz SZGNEPFJFYQHTA-YKSBVNFPSA-N 0 3 378.516 3.807 40 0 GHABHN O=C(c1ccccc1-c1ccccc1)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019374238 570981587 /nfs/dbraw/zinc/98/15/87/570981587.db2.gz APAQWAVISYJGMC-LJQANCHMSA-N 0 3 398.510 3.809 40 0 GHABHN CC(C)Oc1cccc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c1 ZINC000019450877 570985725 /nfs/dbraw/zinc/98/57/25/570985725.db2.gz HPEBKWHNULPIBN-JOCHJYFZSA-N 0 3 380.536 3.979 40 0 GHABHN CCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 ZINC000019503726 570993554 /nfs/dbraw/zinc/99/35/54/570993554.db2.gz IFPLCHBAMTXVNA-QGZVFWFLSA-N 0 3 378.476 3.742 40 0 GHABHN CCCN1CCN(CC2CC2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503053 570993643 /nfs/dbraw/zinc/99/36/43/570993643.db2.gz SOKLGGDRXFGFLN-QHCPKHFHSA-N 0 3 377.532 3.872 40 0 GHABHN COc1ccc(-c2noc([C@@H]3CCN(Cc4cccc(OC)c4OC)C3)n2)cc1 ZINC000585172039 570997078 /nfs/dbraw/zinc/99/70/78/570997078.db2.gz CBXORDLPEJAPDG-QGZVFWFLSA-N 0 3 395.459 3.752 40 0 GHABHN CCOc1ccc(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)cc1OC ZINC000019533863 570999666 /nfs/dbraw/zinc/99/96/66/570999666.db2.gz ZLRUIFLWONTSRR-FQEVSTJZSA-N 0 3 396.535 3.599 40 0 GHABHN COc1cccc(CN2CCC([C@H](NC(=O)C3CCC3)c3ccccn3)CC2)c1 ZINC000019564826 571007016 /nfs/dbraw/zinc/00/70/16/571007016.db2.gz SNNFGCXWAXBRQP-QHCPKHFHSA-N 0 3 393.531 3.960 40 0 GHABHN Cc1c(-c2csc(NC(=O)c3ccccc3CN3CCCC3)n2)cnn1C ZINC000019654658 571022852 /nfs/dbraw/zinc/02/28/52/571022852.db2.gz DZDSANWLUXUHJW-UHFFFAOYSA-N 0 3 381.505 3.700 40 0 GHABHN COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc(C)n1)C2 ZINC000328964572 571047542 /nfs/dbraw/zinc/04/75/42/571047542.db2.gz BVXTXNWVBFGVKQ-UHFFFAOYSA-N 0 3 380.492 3.879 40 0 GHABHN Cc1cccc(Cl)c1Nc1cc(-c2ccccc2)nc(NCCN(C)C)n1 ZINC000329067332 206244334 /nfs/dbraw/zinc/24/43/34/206244334.db2.gz YHUSPLHGOGBENG-UHFFFAOYSA-N 0 3 381.911 3.666 40 0 GHABHN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)CN1CCN(c3ccccc3)CC1)C2 ZINC000035075055 206257156 /nfs/dbraw/zinc/25/71/56/206257156.db2.gz JQRIJBVNFRDMPG-SPHCQZIESA-N 0 3 386.580 3.791 40 0 GHABHN CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(N)c2)cc1 ZINC000226263869 206258494 /nfs/dbraw/zinc/25/84/94/206258494.db2.gz HQNYBGIDFPQHTH-UHFFFAOYSA-N 0 3 396.535 3.842 40 0 GHABHN COc1ccc(C)cc1CN1CCC2(CC1)OCCc1cnc(C(C)C)nc12 ZINC000019133376 207103782 /nfs/dbraw/zinc/10/37/82/207103782.db2.gz NQZNRRSVMJQPOM-UHFFFAOYSA-N 0 3 381.520 3.981 40 0 GHABHN COc1ccc2nc(CN3C[C@@H]4CC[C@@](O)(c5ncccc5C)[C@@H]4C3)ccc2c1 ZINC000019237735 207111104 /nfs/dbraw/zinc/11/11/04/207111104.db2.gz TWHHKEJIUDVDPO-VNZMSGEBSA-N 0 3 389.499 3.676 40 0 GHABHN Cc1c2cc(F)ccc2oc1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019565608 207135846 /nfs/dbraw/zinc/13/58/46/207135846.db2.gz HROJASPKDHVBQA-GOSISDBHSA-N 0 3 394.450 3.636 40 0 GHABHN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2Cc1cnn(C)c1C ZINC000019553778 207132128 /nfs/dbraw/zinc/13/21/28/207132128.db2.gz SEHAXGDAVXIRJY-ZRBLBEILSA-N 0 3 398.526 3.627 40 0 GHABHN CN1CCc2nc([C@@H]3CCN(C(=O)c4ccccc4-c4ccccc4)C3)ncc2C1 ZINC000019590644 207142195 /nfs/dbraw/zinc/14/21/95/207142195.db2.gz JRFANEOTSZEVPJ-LJQANCHMSA-N 0 3 398.510 3.761 40 0 GHABHN CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cccnc2N(C)C)C1 ZINC000072352304 208000875 /nfs/dbraw/zinc/00/08/75/208000875.db2.gz NDRZAQCYYMKJBU-OAHLLOKOSA-N 0 3 394.544 3.711 40 0 GHABHN Cc1cc(Nc2ccccn2)cc([C@H]2CCCN(CC(=O)N3CCCCC3)C2)n1 ZINC000072374832 208009969 /nfs/dbraw/zinc/00/99/69/208009969.db2.gz HYUPURVLKCUJLN-IBGZPJMESA-N 0 3 393.535 3.721 40 0 GHABHN COc1ccc(NC(=O)c2ccc3ccc(N4CCN(C(C)C)CC4)n3c2)cc1 ZINC000096156091 208279614 /nfs/dbraw/zinc/27/96/14/208279614.db2.gz WTWSLUWATXXNQQ-UHFFFAOYSA-N 0 3 392.503 3.731 40 0 GHABHN Cn1cc(CN2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)cn1 ZINC000096099926 208263629 /nfs/dbraw/zinc/26/36/29/208263629.db2.gz VFIXBEIWOODIOF-UHFFFAOYSA-N 0 3 386.503 3.748 40 0 GHABHN COc1cccc(CN2CCC[C@]3(CCN(Cc4cccnc4OC)C3)C2)c1 ZINC000096215586 208286041 /nfs/dbraw/zinc/28/60/41/208286041.db2.gz UHLXVUUQIDOCCO-QHCPKHFHSA-N 0 3 381.520 3.587 40 0 GHABHN O=C(Cc1ccc(F)cc1)N1CC[C@@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216398 208287383 /nfs/dbraw/zinc/28/73/83/208287383.db2.gz DHXZHRLSRDTDQR-DEOSSOPVSA-N 0 3 396.506 3.762 40 0 GHABHN CCc1cc(=O)n2[n-]c([C@@H]3CC[N@H+](CC(C)(C)CN4CCC(C)CC4)C3)cc2n1 ZINC000100727502 208378086 /nfs/dbraw/zinc/37/80/86/208378086.db2.gz IMRWSKUHFQJPNZ-GOSISDBHSA-N 0 3 399.583 3.545 40 0 GHABHN CCc1cc(=O)n2[n-]c([C@@H]3CC[N@@H+](CC(C)(C)CN4CCC(C)CC4)C3)cc2n1 ZINC000100727502 208378092 /nfs/dbraw/zinc/37/80/92/208378092.db2.gz IMRWSKUHFQJPNZ-GOSISDBHSA-N 0 3 399.583 3.545 40 0 GHABHN CCN(CC)C(=O)Cc1c(C)nc([C@H]2CCN(Cc3cccc(C)c3)C2)nc1C ZINC000257266575 209065092 /nfs/dbraw/zinc/06/50/92/209065092.db2.gz MDPHYOBVGPQBTL-NRFANRHFSA-N 0 3 394.563 3.802 40 0 GHABHN Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)C3(C)CCN(C)CC3)CC2)c1 ZINC000257302229 209070573 /nfs/dbraw/zinc/07/05/73/209070573.db2.gz SCAKRPFMMLAANV-UHFFFAOYSA-N 0 3 396.535 3.791 40 0 GHABHN O=C1CCC[C@]2(CN(Cc3c[nH]c4ccccc34)C[C@H]2c2ccccc2F)N1 ZINC000257317590 209073898 /nfs/dbraw/zinc/07/38/98/209073898.db2.gz VKKLCAIABVQHQK-WMZHIEFXSA-N 0 3 377.463 3.945 40 0 GHABHN COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)C4CCN(C)CC4)C3)n2)c1 ZINC000072350383 222237656 /nfs/dbraw/zinc/23/76/56/222237656.db2.gz QUVOFFHKTBXGBD-HXUWFJFHSA-N 0 3 393.531 3.805 40 0 GHABHN CCC(=O)N[C@H]1CN(Cc2ccsc2)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395738 222252121 /nfs/dbraw/zinc/25/21/21/222252121.db2.gz WSXWOIRIHQJXFN-UXHICEINSA-N 0 3 397.544 3.743 40 0 GHABHN CC(C)[C@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000022929872 570379256 /nfs/dbraw/zinc/37/92/56/570379256.db2.gz POTUVEWKKVJUPS-JOCHJYFZSA-N 0 3 396.583 3.563 40 0 GHABHN Cc1cccc(CN2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000222715739 570422126 /nfs/dbraw/zinc/42/21/26/570422126.db2.gz VZERXMDJZGQQOJ-SFHVURJKSA-N 0 3 394.515 3.856 40 0 GHABHN COC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000039749670 570447584 /nfs/dbraw/zinc/44/75/84/570447584.db2.gz ILRCOCCPMPYMES-UHFFFAOYSA-N 0 3 380.488 3.941 40 0 GHABHN COc1cc(C)c(S(=O)(=O)NCCCN2CCCCCC2)cc1C(C)C ZINC000223226071 570451106 /nfs/dbraw/zinc/45/11/06/570451106.db2.gz JHVACQCZZVNEJX-UHFFFAOYSA-N 0 3 382.570 3.671 40 0 GHABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000223262363 570454125 /nfs/dbraw/zinc/45/41/25/570454125.db2.gz JNMCWNVWAMEORQ-WOJBJXKFSA-N 0 3 383.565 3.532 40 0 GHABHN O=C(NCCSCc1ccco1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038852079 570588473 /nfs/dbraw/zinc/58/84/73/570588473.db2.gz CBXBUCADOLGWSE-KRWDZBQOSA-N 0 3 376.497 3.680 40 0 GHABHN CCOc1ccc(NC(=O)CC2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1 ZINC000039964101 570594468 /nfs/dbraw/zinc/59/44/68/570594468.db2.gz YZGOVLIYLXIENT-IBGZPJMESA-N 0 3 390.443 3.514 40 0 GHABHN COc1cccc(C[NH+]2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)c1 ZINC000012329710 570644129 /nfs/dbraw/zinc/64/41/29/570644129.db2.gz CVDLNXZIMYFDDI-UHFFFAOYSA-N 0 3 376.460 3.632 40 0 GHABHN O=C(CN1CCCCCC1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257227701 570764047 /nfs/dbraw/zinc/76/40/47/570764047.db2.gz FQMSQDPUDWOMMW-LJQANCHMSA-N 0 3 399.510 3.987 40 0 GHABHN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCCN1CCCCCC1 ZINC000010111334 570805684 /nfs/dbraw/zinc/80/56/84/570805684.db2.gz WSUXTYLUGBNHSQ-UHFFFAOYSA-N 0 3 379.353 3.679 40 0 GHABHN Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(Cc2ccc(CO)o2)C1 ZINC000020503220 575369828 /nfs/dbraw/zinc/36/98/28/575369828.db2.gz YUYQGQITWSFIOW-ZWKOTPCHSA-N 0 3 390.483 3.528 40 0 biogenic,in-vitro GHABHN CC(=O)N1CCc2nc([C@@H]3CCCCN3C[C@H](C)c3ccccc3)ncc2C1 ZINC000247921832 880087438 /nfs/dbraw/zinc/08/74/38/880087438.db2.gz HJSUJDQVXKNDCS-JTSKRJEESA-N 0 3 378.520 3.712 40 0 GHABHN C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(c3c(cc1[O-])CNC3=[NH2+])O2 ZINC000252516344 206280914 /nfs/dbraw/zinc/28/09/14/206280914.db2.gz SDIGNZADDDFEPI-OPLSMLHISA-N 0 3 384.520 3.728 40 0 biogenic,in-vitro GHABHN COc1c(C)cccc1CN1CCC([C@@H](NC(=O)C2CC2)c2ccccn2)CC1 ZINC000019235923 207109001 /nfs/dbraw/zinc/10/90/01/207109001.db2.gz KOGBJVLSLOBOPB-JOCHJYFZSA-N 0 3 393.531 3.878 40 0 GHABHN O=C(Nc1ccccc1CN1CCCCCC1)c1ccccc1Cn1cncn1 ZINC000019349823 207118146 /nfs/dbraw/zinc/11/81/46/207118146.db2.gz XNXZAFXHJOUHAK-UHFFFAOYSA-N 0 3 389.503 3.955 40 0 GHABHN CCc1nn(C)c(C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)c1C ZINC000019521025 207126514 /nfs/dbraw/zinc/12/65/14/207126514.db2.gz CPIMECVIZGCCBN-KJXAQDMKSA-N 0 3 394.563 3.774 40 0 GHABHN CCCN1CCN(CC2CC2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503334 207126949 /nfs/dbraw/zinc/12/69/49/207126949.db2.gz FJPOMCPEMSPQBT-JOCHJYFZSA-N 0 3 377.532 3.872 40 0 GHABHN Cc1c2ccccc2oc1C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 ZINC000019566085 207136469 /nfs/dbraw/zinc/13/64/69/207136469.db2.gz UJJMATZPDKYFFH-UHFFFAOYSA-N 0 3 390.487 3.539 40 0 GHABHN COc1cccc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)c1OC ZINC000019589262 207142378 /nfs/dbraw/zinc/14/23/78/207142378.db2.gz UAIWAPLODGBVST-SFHLNBCPSA-N 0 3 398.478 3.545 40 0 GHABHN Cc1cn2c(ncc(C(=O)Nc3cccc(CN4CCC(C)CC4)c3)c2=O)s1 ZINC000019717071 207153580 /nfs/dbraw/zinc/15/35/80/207153580.db2.gz BSTGMLIHNSKTPM-UHFFFAOYSA-N 0 3 396.516 3.549 40 0 GHABHN CN1CCC(C(=O)N2CCC[C@@H](c3cncc(-c4cccc(Cl)c4)n3)C2)CC1 ZINC000072359851 208003173 /nfs/dbraw/zinc/00/31/73/208003173.db2.gz SDBBHQBOYXIBCW-GOSISDBHSA-N 0 3 398.938 3.845 40 0 GHABHN CN(C)CCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000082230490 208084406 /nfs/dbraw/zinc/08/44/06/208084406.db2.gz PPMFMAOFTZHACB-FSSNKTKLSA-N 0 3 389.580 3.562 40 0 in-vitro GHABHN Cc1noc(C)c1CN1CCC2(C[C@@H](CC(=O)NC3CC3)c3ccccc32)CC1 ZINC000096052984 208259301 /nfs/dbraw/zinc/25/93/01/208259301.db2.gz ZUTNPKCCPRESHA-GOSISDBHSA-N 0 3 393.531 3.981 40 0 GHABHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cccc(OC)c4)C3)C2)c1 ZINC000096215659 208286937 /nfs/dbraw/zinc/28/69/37/208286937.db2.gz RCWULEUEKRFAIO-XMMPIXPASA-N 0 3 394.515 3.832 40 0 GHABHN Cc1cc(C)c2cc(CN(CCN(C)C)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000001371233 208494594 /nfs/dbraw/zinc/49/45/94/208494594.db2.gz XXINRUNYHJPPHA-UHFFFAOYSA-N 0 3 398.551 3.551 40 0 GHABHN COc1ccccc1-c1cnc2n1C[C@]1(CCN(Cc3cnn(C(C)C)c3)C1)C2 ZINC000306138355 209103850 /nfs/dbraw/zinc/10/38/50/209103850.db2.gz RVUPTIZMUJYJRE-HSZRJFAPSA-N 0 3 391.519 3.785 40 0 GHABHN COc1cccc(CN2CC[C@]3(C2)CN(Cc2cccnc2)c2cccnc23)c1 ZINC000306134576 209102873 /nfs/dbraw/zinc/10/28/73/209102873.db2.gz NSNAJGBSDAMFQW-DEOSSOPVSA-N 0 3 386.499 3.649 40 0 GHABHN COc1ccc(CN2CC[C@@]3(C2)CN(Cc2cccnc2)c2cccnc23)cc1 ZINC000306126158 209098338 /nfs/dbraw/zinc/09/83/38/209098338.db2.gz DONRQFITDPYLNX-XMMPIXPASA-N 0 3 386.499 3.649 40 0 GHABHN Cc1cccc(CN2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)n1 ZINC000306130567 209099316 /nfs/dbraw/zinc/09/93/16/209099316.db2.gz JJWBKRWQHONUSQ-FQEVSTJZSA-N 0 3 384.487 3.874 40 0 GHABHN Cc1ccsc1CN1C[C@@H]2[C@H](C1)N(Cc1ccccc1)C(=O)c1cccn12 ZINC000306125905 209097406 /nfs/dbraw/zinc/09/74/06/209097406.db2.gz DFIISWSQUMNZNS-UXHICEINSA-N 0 3 377.513 3.940 40 0 GHABHN Cc1nc(-c2ccccn2)sc1C(=O)N1CCCC[C@@H]2N(C)CCC[C@@]21C ZINC000257265241 209063576 /nfs/dbraw/zinc/06/35/76/209063576.db2.gz LXVNDBRKDGXFDH-UWJYYQICSA-N 0 3 384.549 3.993 40 0 GHABHN COc1cc(C)ccc1CN1CCC(c2cncc(Nc3ncccn3)n2)CC1 ZINC000257287645 209068894 /nfs/dbraw/zinc/06/88/94/209068894.db2.gz PQXZYTZNXCZLDD-UHFFFAOYSA-N 0 3 390.491 3.707 40 0 GHABHN COCCOc1cc(-c2noc([C@@H]3CCCN3CC3CCCCC3)n2)ccn1 ZINC000035424768 560080537 /nfs/dbraw/zinc/08/05/37/560080537.db2.gz QKFQCEOSDIEQGK-SFHVURJKSA-N 0 3 386.496 3.874 40 0 biogenic,in-vitro GHABHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)Cc4ccsc4)C3)C2)c1 ZINC000012476064 570233112 /nfs/dbraw/zinc/23/31/12/570233112.db2.gz RJBCUWOCQGBJNU-QFIPXVFZSA-N 0 3 384.545 3.814 40 0 GHABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc(F)c(Cl)c1 ZINC000039964137 570594475 /nfs/dbraw/zinc/59/44/75/570594475.db2.gz GNOSITULCFIROW-KRWDZBQOSA-N 0 3 398.825 3.908 40 0 GHABHN C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCCN1CCc2ccccc2C1 ZINC000225734244 570610733 /nfs/dbraw/zinc/61/07/33/570610733.db2.gz XZMHLHPYGQVPON-IBGZPJMESA-N 0 3 392.543 3.897 40 0 GHABHN COc1ccc(C2(O)CCN(C[C@@H](O)c3ccc4ccccc4c3)CC2)cc1 ZINC000012292317 570633270 /nfs/dbraw/zinc/63/32/70/570633270.db2.gz MKKNNVCKFOYGCE-HSZRJFAPSA-N 0 3 377.484 3.865 40 0 GHABHN Fc1cccc(-c2cc3nc4c(c(N[C@H]5CN6CCC5CC6)n3n2)CCCC4)c1 ZINC000004980760 570655970 /nfs/dbraw/zinc/65/59/70/570655970.db2.gz LXPSYXAUJILCMQ-NRFANRHFSA-N 0 3 391.494 3.920 40 0 GHABHN COc1cccc(CNC(=O)c2c(F)cccc2NCCN2CCCCC2)c1 ZINC000066089363 570893569 /nfs/dbraw/zinc/89/35/69/570893569.db2.gz YTEFETPHPTVWSO-UHFFFAOYSA-N 0 3 385.483 3.662 40 0 GHABHN Cc1noc(C)c1CN1C(=O)CC[C@@]12CCCN(Cc1cccc(F)c1)CC2 ZINC000585099858 570926457 /nfs/dbraw/zinc/92/64/57/570926457.db2.gz KUFZRNWALZYMJF-JOCHJYFZSA-N 0 3 385.483 3.978 40 0 GHABHN CCCC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000019502160 570927410 /nfs/dbraw/zinc/92/74/10/570927410.db2.gz RIMQNQBIBZQPSS-NRFANRHFSA-N 0 3 382.556 3.513 40 0 GHABHN Cc1ccc(C)c(CN2CCOC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 ZINC000585103652 570929052 /nfs/dbraw/zinc/92/90/52/570929052.db2.gz FDAQCXRUASOYPV-QHCPKHFHSA-N 0 3 382.479 3.698 40 0 GHABHN COc1ccc(-c2noc([C@H]3CCN(Cc4cccc(OC)c4OC)C3)n2)cc1 ZINC000585172037 570997308 /nfs/dbraw/zinc/99/73/08/570997308.db2.gz CBXORDLPEJAPDG-KRWDZBQOSA-N 0 3 395.459 3.752 40 0 GHABHN Cc1ncc(CN2[C@H](Cc3ccccc3F)C[C@@H]3NC(=O)CCCC[C@H]32)s1 ZINC000019713908 856428103 /nfs/dbraw/zinc/42/81/03/856428103.db2.gz RJGMBPBHARKAHI-LSTHTHJFSA-N 0 3 387.524 3.835 40 0 GHABHN CN(C)CCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(C2CC2)n1 ZINC000328984081 206239925 /nfs/dbraw/zinc/23/99/25/206239925.db2.gz HKMUZGNXLXZOLH-UHFFFAOYSA-N 0 3 397.470 3.527 40 0 GHABHN COc1cc(C)ccc1OCC(=O)N1CCC(c2cc3c[nH]ccc-3n2)CC1 ZINC000019134198 207105153 /nfs/dbraw/zinc/10/51/53/207105153.db2.gz DVHUYMPFSRLVMX-UHFFFAOYSA-N 0 3 379.460 3.665 40 0 GHABHN COc1cc(C)ccc1OCC(=O)N1CCC(c2cc3cnccc3[nH]2)CC1 ZINC000019134198 207105158 /nfs/dbraw/zinc/10/51/58/207105158.db2.gz DVHUYMPFSRLVMX-UHFFFAOYSA-N 0 3 379.460 3.665 40 0 GHABHN Cc1nc([C@H](Cc2c[nH]c3ccccc23)NCc2ccc(F)cc2)cc(=O)[nH]1 ZINC000019285167 207110618 /nfs/dbraw/zinc/11/06/18/207110618.db2.gz ZSNOYKJJTYAAEC-FQEVSTJZSA-N 0 3 376.435 3.772 40 0 GHABHN Cc1ccc2oc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CCN(C)C5)C3)cc2c1 ZINC000019221303 207106961 /nfs/dbraw/zinc/10/69/61/207106961.db2.gz YLOADJWRNDPFKS-MRXNPFEDSA-N 0 3 390.487 3.539 40 0 GHABHN Cc1ccc2scc(CC(=O)N3CCc4nc([C@H]5CCCN5)ncc4C3)c2c1 ZINC000019220658 207107387 /nfs/dbraw/zinc/10/73/87/207107387.db2.gz IJBUUTZHSTZRDT-LJQANCHMSA-N 0 3 392.528 3.552 40 0 GHABHN COc1cccc(C[N@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[n-]c(C)n3)C2)c1 ZINC000019285537 207110713 /nfs/dbraw/zinc/11/07/13/207110713.db2.gz GPILUASWEBKLRA-VQTJNVASSA-N 0 3 393.462 3.609 40 0 GHABHN COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[n-]c(C)n3)C2)c1 ZINC000019285537 207110716 /nfs/dbraw/zinc/11/07/16/207110716.db2.gz GPILUASWEBKLRA-VQTJNVASSA-N 0 3 393.462 3.609 40 0 GHABHN COc1ccc(CN2CCC[C@@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)cc1 ZINC000019496742 207124497 /nfs/dbraw/zinc/12/44/97/207124497.db2.gz OKKZCTHYPYCASA-LJQANCHMSA-N 0 3 397.519 3.935 40 0 GHABHN COc1ccc(-c2nc(C(=O)Nc3ccnn3C3CCN(C)CC3)cs2)cc1 ZINC000019660246 207145763 /nfs/dbraw/zinc/14/57/63/207145763.db2.gz UKZRRPASNMMKIW-UHFFFAOYSA-N 0 3 397.504 3.534 40 0 GHABHN CC(=O)N1CCC(N2CCC[C@H](c3nc(C)cc(Oc4ccccc4)n3)C2)CC1 ZINC000072363012 208006514 /nfs/dbraw/zinc/00/65/14/208006514.db2.gz ZNFQJHFWODEQLN-IBGZPJMESA-N 0 3 394.519 3.768 40 0 GHABHN COc1c(C)cccc1CN1CCC[C@H]([C@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000072398568 208014586 /nfs/dbraw/zinc/01/45/86/208014586.db2.gz OEQRTXAFJKWUBA-UGKGYDQZSA-N 0 3 393.531 3.878 40 0 GHABHN COc1cccc(CN2CCC3(CCN(C(=O)c4cccc(C)n4)C3)CC2)c1 ZINC000096046641 208255762 /nfs/dbraw/zinc/25/57/62/208255762.db2.gz OPAJMOLGAWGSPA-UHFFFAOYSA-N 0 3 379.504 3.527 40 0 GHABHN Cc1noc(C)c1CN1CC[C@@]2(C1)COCc1c(C)nc(-c3ccccc3)nc12 ZINC000096244644 208294934 /nfs/dbraw/zinc/29/49/34/208294934.db2.gz NHSKKNMUMCHBHR-HSZRJFAPSA-N 0 3 390.487 3.731 40 0 GHABHN Cc1noc(C)c1CN1CC[C@]2(C1)COCc1c(C)nc(-c3ccccc3)nc12 ZINC000096244645 208296602 /nfs/dbraw/zinc/29/66/02/208296602.db2.gz NHSKKNMUMCHBHR-QHCPKHFHSA-N 0 3 390.487 3.731 40 0 GHABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 ZINC000223288908 208897816 /nfs/dbraw/zinc/89/78/16/208897816.db2.gz DRLCVYZRBBNDIO-PMACEKPBSA-N 0 3 383.565 3.532 40 0 GHABHN COc1ccccc1CNC[C@H]1Cn2c(-c3cccc(Cl)c3)cnc2CO1 ZINC000096269362 209013538 /nfs/dbraw/zinc/01/35/38/209013538.db2.gz VLWHHAMUZDRKNA-SFHVURJKSA-N 0 3 383.879 3.901 40 0 biogenic,in-vitro GHABHN Clc1ccc(-c2cnc3n2C[C@H](CNCc2ccc4c(c2)OCO4)OC3)cc1 ZINC000096296358 209014648 /nfs/dbraw/zinc/01/46/48/209014648.db2.gz MKULOZXTGDMXKN-KRWDZBQOSA-N 0 3 397.862 3.621 40 0 biogenic,in-vitro GHABHN CN1[C@@H]2CCCC[C@@H]3N(C(=O)c4cccnn4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257260885 209060893 /nfs/dbraw/zinc/06/08/93/209060893.db2.gz LEXJXQILYPMCLN-QMDPOKHVSA-N 0 3 390.531 3.565 40 0 GHABHN Cc1nc[nH]c1CN(C)[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O ZINC000257343920 209079910 /nfs/dbraw/zinc/07/99/10/209079910.db2.gz ZUYFKBVRSQSJGQ-UVVBHOOISA-N 0 3 383.536 3.785 40 0 GHABHN Cn1nc(-c2cccs2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccccn1 ZINC000035415792 560081375 /nfs/dbraw/zinc/08/13/75/560081375.db2.gz YDYGSWAFEQWGOB-UHOSZYNNSA-N 0 3 393.560 3.511 40 0 biogenic,in-vitro GHABHN Fc1ccc(OCc2nnc([C@H]3CCN(Cc4ccc5c(c4)OCO5)C3)o2)cc1 ZINC000049170398 560084480 /nfs/dbraw/zinc/08/44/80/560084480.db2.gz WLDLDPVJUQHYGW-HNNXBMFYSA-N 0 3 397.406 3.506 40 0 biogenic,in-vitro GHABHN CCOCCOc1ccc(CN2CCC(O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585270751 570239428 /nfs/dbraw/zinc/23/94/28/570239428.db2.gz AWYIJHDYPKVPRL-UHFFFAOYSA-N 0 3 399.531 3.816 40 0 GHABHN CCN1CCC[C@H]1CN(Cc1cccnc1)Cc1cc2c(cc1Cl)OCO2 ZINC000022931795 570379409 /nfs/dbraw/zinc/37/94/09/570379409.db2.gz GJLJSXFKTRYKIQ-SFHVURJKSA-N 0 3 387.911 3.950 40 0 GHABHN Cc1ccc(OCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000224553339 570518007 /nfs/dbraw/zinc/51/80/07/570518007.db2.gz KNJYLPCRBFQBGI-UHFFFAOYSA-N 0 3 384.495 3.850 40 0 GHABHN COc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224840198 570533352 /nfs/dbraw/zinc/53/33/52/570533352.db2.gz DYONZPPIRPMJCV-SFHVURJKSA-N 0 3 382.504 3.765 40 0 GHABHN COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002428599 570544090 /nfs/dbraw/zinc/54/40/90/570544090.db2.gz SSTRELGFKVZOAD-FPTDNZKUSA-N 0 3 383.492 3.794 40 0 GHABHN Cc1ccc2cc(CN(CCN(C)C)C(=O)NC3CCCCC3)c(=O)[nH]c2c1C ZINC000001378323 570582850 /nfs/dbraw/zinc/58/28/50/570582850.db2.gz QFLLEBGZRHPJIH-UHFFFAOYSA-N 0 3 398.551 3.551 40 0 GHABHN COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000038835119 570586377 /nfs/dbraw/zinc/58/63/77/570586377.db2.gz SZSLRPJJTNNHTJ-QGZVFWFLSA-N 0 3 386.879 3.977 40 0 GHABHN O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3ccco3)[C@@H]2C(=O)N1c1ccccc1 ZINC000011917795 570592846 /nfs/dbraw/zinc/59/28/46/570592846.db2.gz CWZHOIMVEOWUSX-FHWLQOOXSA-N 0 3 394.814 3.984 40 0 GHABHN COc1ccccc1C1(O)CCN(C[C@H](O)c2ccc3ccccc3c2)CC1 ZINC000012292296 570633303 /nfs/dbraw/zinc/63/33/03/570633303.db2.gz FIPHRJBUGLNZBM-QFIPXVFZSA-N 0 3 377.484 3.865 40 0 GHABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(C)c(C)c3)CC1)O2 ZINC000012293547 570633813 /nfs/dbraw/zinc/63/38/13/570633813.db2.gz HFIBPYNGULSOGC-YADHBBJMSA-N 0 3 381.516 3.996 40 0 GHABHN CC[C@@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 ZINC000012362755 570646314 /nfs/dbraw/zinc/64/63/14/570646314.db2.gz BOIPPHKBNSOQIF-KRWDZBQOSA-N 0 3 375.513 3.791 40 0 GHABHN O=C1NCCN(CCCc2ccccc2)C[C@H]1Cc1ccccc1-c1cccnc1 ZINC000019371133 207120018 /nfs/dbraw/zinc/12/00/18/207120018.db2.gz HABJUQOWEOKHJH-XMMPIXPASA-N 0 3 399.538 3.972 40 0 GHABHN CCOC(=O)C1(C[C@@H]2CC(c3ccccc3F)=NO2)CCN(CC2CC2)CC1 ZINC000019530197 207130176 /nfs/dbraw/zinc/13/01/76/207130176.db2.gz VSTOZCHUFPGUAK-KRWDZBQOSA-N 0 3 388.483 3.764 40 0 GHABHN CC(=O)N1CCc2nc([C@H]3CCCN(Cc4ccc(C(C)C)cc4)C3)ncc2C1 ZINC000019453236 207120957 /nfs/dbraw/zinc/12/09/57/207120957.db2.gz ZWPFEKNSWDKOQP-NRFANRHFSA-N 0 3 392.547 3.884 40 0 GHABHN Cc1nc(C2CCN(C(C)C)CC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019739258 207157900 /nfs/dbraw/zinc/15/79/00/207157900.db2.gz HRJJCRIGHWDBLD-UHFFFAOYSA-N 0 3 392.547 3.895 40 0 GHABHN COc1ccc(CCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1OC ZINC000022515281 207255913 /nfs/dbraw/zinc/25/59/13/207255913.db2.gz SNLMXCFWSQLIKP-UHFFFAOYSA-N 0 3 396.531 3.908 40 0 GHABHN NC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2cccc3cccnc32)C1 ZINC000072352540 208000458 /nfs/dbraw/zinc/00/04/58/208000458.db2.gz WZUDIVDGTBRGGG-HNNXBMFYSA-N 0 3 388.496 3.933 40 0 GHABHN CCN(CC)C(=O)CN1CCC[C@@H]1c1cc(Nc2ncc(C)s2)cc(C)n1 ZINC000072372478 208005417 /nfs/dbraw/zinc/00/54/17/208005417.db2.gz JXKFMORYZAPRSB-GOSISDBHSA-N 0 3 387.553 3.904 40 0 GHABHN CCn1cc(CN2CC[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cn1 ZINC000072371660 208006611 /nfs/dbraw/zinc/00/66/11/208006611.db2.gz BPAWNPZKOPEHRN-QGZVFWFLSA-N 0 3 399.926 3.891 40 0 GHABHN CCn1cc(CN2CC[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cn1 ZINC000072371660 208006616 /nfs/dbraw/zinc/00/66/16/208006616.db2.gz BPAWNPZKOPEHRN-QGZVFWFLSA-N 0 3 399.926 3.891 40 0 GHABHN COc1cccc(OCCc2cc([C@@H]3CCN(Cc4cnc(C)s4)C3)n[nH]2)c1 ZINC000072371792 208007108 /nfs/dbraw/zinc/00/71/08/208007108.db2.gz PPCLYNXJDLHBBV-MRXNPFEDSA-N 0 3 398.532 3.794 40 0 GHABHN COc1cccc(OCCc2cc([C@@H]3CCN(Cc4cnc(C)s4)C3)[nH]n2)c1 ZINC000072371792 208007112 /nfs/dbraw/zinc/00/71/12/208007112.db2.gz PPCLYNXJDLHBBV-MRXNPFEDSA-N 0 3 398.532 3.794 40 0 GHABHN CC(C)c1nc(-c2cc(C(=O)N3CC[C@H](N(C)C)C3)c3ccccn23)cs1 ZINC000096154845 208278611 /nfs/dbraw/zinc/27/86/11/208278611.db2.gz LTIHRQAUUZWDCX-HNNXBMFYSA-N 0 3 382.533 3.962 40 0 GHABHN COc1cccc(CN2CCC3(CCN(C(=O)c4cncc(C)c4)C3)CC2)c1 ZINC000096046642 208255773 /nfs/dbraw/zinc/25/57/73/208255773.db2.gz FVEPJRIHPFVUEC-UHFFFAOYSA-N 0 3 379.504 3.527 40 0 GHABHN O=C(c1cscn1)N1CC2(C1)CCN(Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000096070995 208257486 /nfs/dbraw/zinc/25/74/86/208257486.db2.gz AQLZLKWFKOAWFI-UHFFFAOYSA-N 0 3 395.450 3.900 40 0 GHABHN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1cccs1)CC2 ZINC000096061338 208257986 /nfs/dbraw/zinc/25/79/86/208257986.db2.gz DCLHQBFBPFQCIB-FQEVSTJZSA-N 0 3 384.545 3.745 40 0 GHABHN O=C(C[C@@H]1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21)NC1CC1 ZINC000096052989 208258138 /nfs/dbraw/zinc/25/81/38/208258138.db2.gz LAMGKOPREVNJJZ-GOSISDBHSA-N 0 3 375.516 3.771 40 0 GHABHN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccc(F)cc1)CC2 ZINC000096061353 208258340 /nfs/dbraw/zinc/25/83/40/208258340.db2.gz AUPYYUIRSXLTNN-JOCHJYFZSA-N 0 3 396.506 3.823 40 0 GHABHN Cc1cccc(CN2CC[C@@]3(C2)COCc2cnc(NCc4ccco4)nc23)c1 ZINC000096244220 208294040 /nfs/dbraw/zinc/29/40/40/208294040.db2.gz CCIMVUOBAWXKFC-HSZRJFAPSA-N 0 3 390.487 3.664 40 0 GHABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccc(F)c2)CC1 ZINC000100750227 208381512 /nfs/dbraw/zinc/38/15/12/208381512.db2.gz LGAFSCHTIDYXOA-GWJPWWOOSA-N 0 3 383.511 3.989 40 0 GHABHN Cc1nc2c(n1CC1CC1)CN(Cc1ccc(F)cc1)CC21CCN(C)CC1 ZINC000306138319 209104053 /nfs/dbraw/zinc/10/40/53/209104053.db2.gz RUUHSYTYGXAIRR-UHFFFAOYSA-N 0 3 382.527 3.720 40 0 GHABHN COc1cccc(CN2CC[C@]3(C2)CN(Cc2ccccn2)c2cccnc23)c1 ZINC000306124656 209097959 /nfs/dbraw/zinc/09/79/59/209097959.db2.gz BVUYVUDNYWEKTJ-DEOSSOPVSA-N 0 3 386.499 3.649 40 0 GHABHN COc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4ccc(F)cc4)C2)OC3)c1 ZINC000306125877 209096706 /nfs/dbraw/zinc/09/67/06/209096706.db2.gz DENGQRAYJLWPOL-HSZRJFAPSA-N 0 3 393.462 3.873 40 0 GHABHN CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 ZINC000257301828 209070713 /nfs/dbraw/zinc/07/07/13/209070713.db2.gz SACMWWAHJFCBGD-SFHVURJKSA-N 0 3 396.535 3.813 40 0 GHABHN CC[C@H](N)C(=O)N1CC[C@@H]2O[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257307192 209072571 /nfs/dbraw/zinc/07/25/71/209072571.db2.gz SXONADLZTVIWNK-QWKBJWMGSA-N 0 3 392.927 3.543 40 0 GHABHN COCCNc1ccc(-c2noc([C@@H]3CCCN3CC3CCCCC3)n2)cn1 ZINC000035425167 560080805 /nfs/dbraw/zinc/08/08/05/560080805.db2.gz KZBZRIXACVCVDC-SFHVURJKSA-N 0 3 385.512 3.907 40 0 biogenic,in-vitro GHABHN Cn1nc(-c2ccccc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccco1 ZINC000022796233 560091960 /nfs/dbraw/zinc/09/19/60/560091960.db2.gz JYDIBHLKXXRSCX-ZVDOUQERSA-N 0 3 376.504 3.648 40 0 biogenic,in-vitro GHABHN O[C@]1(COc2ccc(F)cc2)COCCN([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585285027 570254212 /nfs/dbraw/zinc/25/42/12/570254212.db2.gz BOYRRRRUNWGXRA-SSPYTLHUSA-N 0 3 399.506 3.994 40 0 GHABHN CC(=O)N1CCC[C@H](NCc2ccc(F)cc2F)[C@@H]1Cc1ccc(F)cc1 ZINC000585286176 570255634 /nfs/dbraw/zinc/25/56/34/570255634.db2.gz OPTLMUYLHFNLKU-SFTDATJTSA-N 0 3 376.422 3.816 40 0 GHABHN COc1ccc(-n2c(=O)c3ccccc3nc2SCCN2CCCCC2)cc1 ZINC000000905615 570516300 /nfs/dbraw/zinc/51/63/00/570516300.db2.gz SWPOPDXBMUBRPD-UHFFFAOYSA-N 0 3 395.528 3.972 40 0 GHABHN CCc1ccc(OCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000224553254 570517968 /nfs/dbraw/zinc/51/79/68/570517968.db2.gz MMZNCXIFPSSNTP-UHFFFAOYSA-N 0 3 384.495 3.795 40 0 GHABHN COc1cccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)c1 ZINC000012330050 570643994 /nfs/dbraw/zinc/64/39/94/570643994.db2.gz OAHMNRCHVPFMQI-FCHUYYIVSA-N 0 3 397.515 3.696 40 0 GHABHN COc1ccc(C2(CNC(=O)C3(N)CC4(CCC4)C3)CCCCC2)cc1OC ZINC000659259273 570790407 /nfs/dbraw/zinc/79/04/07/570790407.db2.gz LBDTVABJQVFWSQ-UHFFFAOYSA-N 0 3 386.536 3.684 40 0 GHABHN O=C1C2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1ccccc1 ZINC000138597346 570903469 /nfs/dbraw/zinc/90/34/69/570903469.db2.gz CTKZRGNTAQNXDM-FHWLQOOXSA-N 0 3 376.437 3.799 40 0 GHABHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C1=O ZINC000004313086 570972378 /nfs/dbraw/zinc/97/23/78/570972378.db2.gz ISIBQCTYOALSME-NNWRFLSQSA-N 0 3 399.450 3.750 40 0 GHABHN Cc1cc(Nc2cc(C3CC3)nc(NCCN(C)C)n2)ccc1Br ZINC000328992529 206239594 /nfs/dbraw/zinc/23/95/94/206239594.db2.gz IWLBUJHDUWBICC-UHFFFAOYSA-N 0 3 390.329 3.564 40 0 GHABHN CC(=O)N1CCc2nc(C3CCN(C/C(C)=C/c4ccccc4)CC3)ncc2C1 ZINC000019014368 207099151 /nfs/dbraw/zinc/09/91/51/207099151.db2.gz DNSMARMCLPARJW-NBVRZTHBSA-N 0 3 390.531 3.664 40 0 GHABHN COc1cccc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C(C)=O)c1 ZINC000019017762 207099826 /nfs/dbraw/zinc/09/98/26/207099826.db2.gz SINYLIBUCLYNKX-DNVJHFABSA-N 0 3 382.479 3.813 40 0 GHABHN COc1ccc2nc(CN3C[C@@H]4CC[C@@](O)(c5ccc(C)cn5)[C@@H]4C3)ccc2c1 ZINC000019215860 207107128 /nfs/dbraw/zinc/10/71/28/207107128.db2.gz AVABYVVIGCMHLO-VNZMSGEBSA-N 0 3 389.499 3.676 40 0 GHABHN COc1ccc(CN2CCC[C@@H](c3noc(-c4cnc(C)cn4)n3)C2)c(C)c1C ZINC000019239028 207110935 /nfs/dbraw/zinc/11/09/35/207110935.db2.gz KNBSSPPZWSWDTG-GOSISDBHSA-N 0 3 393.491 3.840 40 0 GHABHN CCCN1CCN(CC2CC2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502827 207126287 /nfs/dbraw/zinc/12/62/87/207126287.db2.gz NVFKXXMNUVUWOC-HSZRJFAPSA-N 0 3 377.532 3.872 40 0 GHABHN CCn1cc([C@H](NC(=O)[C@H](N)CC(C)C)c2ccc(F)cc2)c2ccncc21 ZINC000019524812 207129554 /nfs/dbraw/zinc/12/95/54/207129554.db2.gz APMNGZJCEGBCIP-TZIWHRDSSA-N 0 3 382.483 3.774 40 0 GHABHN CC(C)Oc1ccc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1 ZINC000019450650 207121689 /nfs/dbraw/zinc/12/16/89/207121689.db2.gz VDTIVCSCWFHBPE-JOCHJYFZSA-N 0 3 380.536 3.979 40 0 GHABHN Cc1c2ccccc2oc1C(=O)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019566173 207137124 /nfs/dbraw/zinc/13/71/24/207137124.db2.gz DSBFZLMMKWXSEQ-SFHVURJKSA-N 0 3 376.460 3.544 40 0 GHABHN CN(C(=O)COc1ccc(F)cc1)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019586652 207139949 /nfs/dbraw/zinc/13/99/49/207139949.db2.gz OOFYWHMQKOCPGK-UHFFFAOYSA-N 0 3 398.478 3.527 40 0 GHABHN CNc1nc([C@@H]2CCCCN2CC2CCCCC2)nc2c1CN(C(C)=O)CC2 ZINC000019711614 207151917 /nfs/dbraw/zinc/15/19/17/207151917.db2.gz HREWOHXEDYNDTN-FQEVSTJZSA-N 0 3 385.556 3.530 40 0 GHABHN Cc1nc(C)c(S(=O)(=O)N[C@H](CCN2CCCCC2)c2ccccc2)s1 ZINC000019715987 207154364 /nfs/dbraw/zinc/15/43/64/207154364.db2.gz UKLSMMQQKXZBRD-GOSISDBHSA-N 0 3 393.578 3.656 40 0 GHABHN CN(Cc1cc(CC2(NCC3CCCCC3)COC2)no1)Cc1ccccc1 ZINC000067898106 207187654 /nfs/dbraw/zinc/18/76/54/207187654.db2.gz BLDPRLWSCWMVBA-UHFFFAOYSA-N 0 3 383.536 3.788 40 0 biogenic,in-vitro GHABHN COc1cc(CNCCN(C)C)cc(Br)c1OCc1ccccc1 ZINC000022075132 207247007 /nfs/dbraw/zinc/24/70/07/207247007.db2.gz DBKVMQQDFVJSSM-UHFFFAOYSA-N 0 3 393.325 3.688 40 0 GHABHN CCN1CCC[C@H]1CN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccnc1 ZINC000022913690 207262285 /nfs/dbraw/zinc/26/22/85/207262285.db2.gz VUBVPOOFDQJBAA-QHCPKHFHSA-N 0 3 393.510 3.893 40 0 GHABHN Fc1ccc(COc2ccc3ccccc3c2CNCCN2CCOCC2)cc1 ZINC000023469461 207278047 /nfs/dbraw/zinc/27/80/47/207278047.db2.gz CWFLFJQCVINLKC-UHFFFAOYSA-N 0 3 394.490 3.980 40 0 GHABHN COc1ccccc1CN1CCC[C@@H]([C@H]2CN(C(C)=O)Cc3ccccc3O2)C1 ZINC000072373014 208005252 /nfs/dbraw/zinc/00/52/52/208005252.db2.gz VQOWNOUTBHBUHD-HYBUGGRVSA-N 0 3 394.515 3.717 40 0 GHABHN Fc1cccc(-c2ccc(CN3CCn4c(nnc4[C@@H]4CCCN4)C3)cc2)c1 ZINC000072373964 208008468 /nfs/dbraw/zinc/00/84/68/208008468.db2.gz DLTOFWDZSICXMF-FQEVSTJZSA-N 0 3 377.467 3.525 40 0 GHABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4C)[C@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000100799321 208381559 /nfs/dbraw/zinc/38/15/59/208381559.db2.gz GNDIHGXIRKDVMJ-HBMCJLEFSA-N 0 3 388.423 3.948 40 0 GHABHN O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3ccco3)[C@H]2C(=O)N1c1ccccc1 ZINC000100563668 208375715 /nfs/dbraw/zinc/37/57/15/208375715.db2.gz CWZHOIMVEOWUSX-QYZOEREBSA-N 0 3 394.814 3.984 40 0 GHABHN Cc1ncsc1CN1CCC2(CC1)OCC[C@@H]2CCOCc1ccncc1 ZINC000248066995 209029831 /nfs/dbraw/zinc/02/98/31/209029831.db2.gz XIKRTKUQVMPESL-IBGZPJMESA-N 0 3 387.549 3.825 40 0 GHABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1ccc(Cc3ccc(F)cc3)nc1)C2 ZINC000257256103 209061815 /nfs/dbraw/zinc/06/18/15/209061815.db2.gz KKCAFPQJTMVWQZ-YCSHWKNNSA-N 0 3 393.506 3.899 40 0 GHABHN CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccncn1 ZINC000257290768 209067963 /nfs/dbraw/zinc/06/79/63/209067963.db2.gz QEGHBUINOSSUTE-CFKFVRPNSA-N 0 3 390.531 3.565 40 0 GHABHN COc1ccc(C[C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccnc(C)n2)cc1 ZINC000072348198 222234458 /nfs/dbraw/zinc/23/44/58/222234458.db2.gz RCPXHLIOHZPTAJ-VJBWXMMDSA-N 0 3 381.520 3.532 40 0 GHABHN COc1ccc(CN[C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)cc1OC ZINC000585290036 570257795 /nfs/dbraw/zinc/25/77/95/570257795.db2.gz QGFIDCITLUXNRI-FBBABVLZSA-N 0 3 391.895 3.808 40 0 GHABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 ZINC000223262184 570454115 /nfs/dbraw/zinc/45/41/15/570454115.db2.gz JNMCWNVWAMEORQ-PMACEKPBSA-N 0 3 383.565 3.532 40 0 GHABHN CCCSc1nnc(NC(=O)C2CCN(Cc3ccccc3)CC2)s1 ZINC000224779009 570530284 /nfs/dbraw/zinc/53/02/84/570530284.db2.gz NUOZFOYOSYDVPG-UHFFFAOYSA-N 0 3 376.551 3.891 40 0 GHABHN CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038834594 570585792 /nfs/dbraw/zinc/58/57/92/570585792.db2.gz PXCAXGRELGJKCN-QGZVFWFLSA-N 0 3 384.451 3.853 40 0 GHABHN COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000038851858 570588589 /nfs/dbraw/zinc/58/85/89/570588589.db2.gz MDULKIRJYZNTNK-GOSISDBHSA-N 0 3 384.451 3.771 40 0 GHABHN COc1ccc([C@@H](O)CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000012292487 570633431 /nfs/dbraw/zinc/63/34/31/570633431.db2.gz JUIMGUNYGANURK-IBGZPJMESA-N 0 3 395.421 3.731 40 0 GHABHN Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012293439 570633968 /nfs/dbraw/zinc/63/39/68/570633968.db2.gz PXLLNBNSXKKVJZ-YADHBBJMSA-N 0 3 381.516 3.996 40 0 GHABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc(Cl)cc1 ZINC000012329794 570644156 /nfs/dbraw/zinc/64/41/56/570644156.db2.gz FDLIAMLIJIYFHF-MOPGFXCFSA-N 0 3 391.870 3.863 40 0 GHABHN COc1ccccc1C[NH+]1CCC(c2nc(-c3ccccn3)cc(=O)[n-]2)CC1 ZINC000012728337 570706777 /nfs/dbraw/zinc/70/67/77/570706777.db2.gz IXHDIXVPEJQFNT-UHFFFAOYSA-N 0 3 376.460 3.632 40 0 GHABHN Cc1noc(C)c1CN1C(=O)CC[C@]12CCCN(Cc1cccc(F)c1)CC2 ZINC000585099859 570926400 /nfs/dbraw/zinc/92/64/00/570926400.db2.gz KUFZRNWALZYMJF-QFIPXVFZSA-N 0 3 385.483 3.978 40 0 GHABHN Cc1ncsc1CN1CCC2(CC1)OCC[C@H]2CCOCc1cccnc1 ZINC000585103960 570929586 /nfs/dbraw/zinc/92/95/86/570929586.db2.gz FCDGUGNOKUFNOA-LJQANCHMSA-N 0 3 387.549 3.825 40 0 GHABHN CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(N)c2)c1 ZINC000226263687 206258146 /nfs/dbraw/zinc/25/81/46/206258146.db2.gz BOQMHSQTYIIUHC-UHFFFAOYSA-N 0 3 396.535 3.842 40 0 GHABHN CCOc1cc(CN2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)ccc1OC ZINC000019531885 207130169 /nfs/dbraw/zinc/13/01/69/207130169.db2.gz HJVXNVKZYOFZAC-YYDVJCTNSA-N 0 3 382.504 3.527 40 0 GHABHN COc1ccc(OCCN(C)Cc2c3cccnc3[nH]c2C2CCOCC2)cc1 ZINC000019586160 207139532 /nfs/dbraw/zinc/13/95/32/207139532.db2.gz VICDFFRWCPRBRN-UHFFFAOYSA-N 0 3 395.503 3.976 40 0 GHABHN CC(=O)N1CCC(N2CCC[C@H]2c2cccc(Cc3ccc(F)cc3)n2)CC1 ZINC000072358189 208003214 /nfs/dbraw/zinc/00/32/14/208003214.db2.gz WCYFBJSCFZCCCG-QHCPKHFHSA-N 0 3 381.495 3.959 40 0 GHABHN COc1ccccc1OCCc1cc([C@@H]2CCN(Cc3cnc(C)s3)C2)n[nH]1 ZINC000072371790 208007018 /nfs/dbraw/zinc/00/70/18/208007018.db2.gz GAEKYOULSAINES-MRXNPFEDSA-N 0 3 398.532 3.794 40 0 GHABHN COc1ccccc1OCCc1cc([C@@H]2CCN(Cc3cnc(C)s3)C2)[nH]n1 ZINC000072371790 208007023 /nfs/dbraw/zinc/00/70/23/208007023.db2.gz GAEKYOULSAINES-MRXNPFEDSA-N 0 3 398.532 3.794 40 0 GHABHN CCn1cc(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cn1 ZINC000072376665 208010679 /nfs/dbraw/zinc/01/06/79/208010679.db2.gz OHQLYVOXTBMCML-FQEVSTJZSA-N 0 3 390.535 3.806 40 0 GHABHN CC(C)c1nc(-c2cc(C(=O)N3CC[C@@H](N(C)C)C3)c3ccccn23)cs1 ZINC000096154846 208279334 /nfs/dbraw/zinc/27/93/34/208279334.db2.gz LTIHRQAUUZWDCX-OAHLLOKOSA-N 0 3 382.533 3.962 40 0 GHABHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cccc(OC)c4)C3)C2)c1 ZINC000096215657 208285975 /nfs/dbraw/zinc/28/59/75/208285975.db2.gz RCWULEUEKRFAIO-DEOSSOPVSA-N 0 3 394.515 3.832 40 0 GHABHN O=C(CCc1cccnc1)N1CC2(C1)CCN(Cc1cccc(Cl)c1)CC2 ZINC000096203018 208286668 /nfs/dbraw/zinc/28/66/68/208286668.db2.gz PTLDNCNGNKJNGO-UHFFFAOYSA-N 0 3 383.923 3.792 40 0 GHABHN CC(C)N1CCC2(CC1)CN(S(=O)(=O)c1ccccc1)Cc1ccccc12 ZINC000096242409 208293780 /nfs/dbraw/zinc/29/37/80/208293780.db2.gz WBTPJEPQSHRZJW-UHFFFAOYSA-N 0 3 384.545 3.633 40 0 GHABHN CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3cccs3)CC2)C1 ZINC000306126130 209098063 /nfs/dbraw/zinc/09/80/63/209098063.db2.gz DNTVUUJRYICHBY-UHFFFAOYSA-N 0 3 397.523 3.582 40 0 GHABHN COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc(Cl)cc2)C3)cc1 ZINC000096269258 209014317 /nfs/dbraw/zinc/01/43/17/209014317.db2.gz YILBMKDCLPGJRO-IBGZPJMESA-N 0 3 383.879 3.901 40 0 biogenic,in-vitro GHABHN CN1[C@@H]2CCCC[C@@H]3N(C(=O)c4ncccn4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257279496 209066334 /nfs/dbraw/zinc/06/63/34/209066334.db2.gz OGXBUTHLEFYYDZ-NABGWTBKSA-N 0 3 390.531 3.565 40 0 GHABHN Cc1cc(N2C(=O)OC[C@H]2Cc2ccccc2)nc(C2CCN(C(C)C)CC2)n1 ZINC000257343706 209079844 /nfs/dbraw/zinc/07/98/44/209079844.db2.gz ZUCNSAUPJZXPPL-HXUWFJFHSA-N 0 3 394.519 3.941 40 0 GHABHN COC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000039748614 570446962 /nfs/dbraw/zinc/44/69/62/570446962.db2.gz OCZXULWNBQZQPR-UHFFFAOYSA-N 0 3 380.488 3.941 40 0 GHABHN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1C(C)C ZINC000223263693 570454272 /nfs/dbraw/zinc/45/42/72/570454272.db2.gz QGIFHVCJTHMERA-WOJBJXKFSA-N 0 3 385.581 3.615 40 0 GHABHN CC(C)(CN1CCCCC1)NC(=O)c1ccc2c(c1)nnn2C1CCCCC1 ZINC000035322644 570470757 /nfs/dbraw/zinc/47/07/57/570470757.db2.gz ZVSCPQOHOGWTHC-UHFFFAOYSA-N 0 3 383.540 3.931 40 0 GHABHN O=C([C@H]1CCCO1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 ZINC000601032722 570579209 /nfs/dbraw/zinc/57/92/09/570579209.db2.gz OHJNHKUFSKAANI-HSZRJFAPSA-N 0 3 378.516 3.906 40 0 in-vitro GHABHN COc1ccc(CCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000038848916 570587123 /nfs/dbraw/zinc/58/71/23/570587123.db2.gz WHISJVYBWVVLSP-LJQANCHMSA-N 0 3 386.923 3.920 40 0 GHABHN COc1ccc2c(CN3CCC[C@@H]([C@H](NC(C)=O)c4nccs4)C3)c[nH]c2c1 ZINC000072337756 570880093 /nfs/dbraw/zinc/88/00/93/570880093.db2.gz HCLQHOFIPIWWFT-QRWLVFNGSA-N 0 3 398.532 3.722 40 0 GHABHN Cc1cc(Br)ccc1Nc1cc(C2CC2)nc(NCCN(C)C)n1 ZINC000328962961 571047097 /nfs/dbraw/zinc/04/70/97/571047097.db2.gz BLNHHTDANAOWJS-UHFFFAOYSA-N 0 3 390.329 3.564 40 0 GHABHN CCN1CCN(c2ccc(N)cc2NC(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000226260049 206258833 /nfs/dbraw/zinc/25/88/33/206258833.db2.gz VPWHRWMJMJUWHY-BJMVGYQFSA-N 0 3 384.911 3.716 40 0 GHABHN CN(C)CCN1c2ccc(Cl)cc2C(c2ccccc2Cl)=NCC1=O ZINC000001589593 206387219 /nfs/dbraw/zinc/38/72/19/206387219.db2.gz MLHPUCAUZPCWLF-UHFFFAOYSA-N 0 3 376.287 3.739 40 0 GHABHN CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2CN(C)Cc2ccccc2)C1 ZINC000019016947 207099411 /nfs/dbraw/zinc/09/94/11/207099411.db2.gz YOCUUXZJXPRZLY-IBGZPJMESA-N 0 3 376.504 3.921 40 0 GHABHN O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019369501 207118031 /nfs/dbraw/zinc/11/80/31/207118031.db2.gz YTPBYBOXURFVCX-QFIPXVFZSA-N 0 3 398.510 3.618 40 0 GHABHN COc1cccc(CN2CCC[C@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)c1 ZINC000019496753 207125089 /nfs/dbraw/zinc/12/50/89/207125089.db2.gz DGGGXPGCZCYIGU-IBGZPJMESA-N 0 3 397.519 3.935 40 0 GHABHN CN(C)CCn1nc([C@H]2CCN(C(=O)CCC3CCCCC3)C2)c2cccnc21 ZINC000019583167 207139058 /nfs/dbraw/zinc/13/90/58/207139058.db2.gz IOGXASTWGSUACY-IBGZPJMESA-N 0 3 397.567 3.669 40 0 GHABHN CC(=O)N1CCC(N2CCC[C@@H](c3cncc(Oc4cccc(C)c4)n3)C2)CC1 ZINC000072363023 208004588 /nfs/dbraw/zinc/00/45/88/208004588.db2.gz VSCIMMOSBYPWGW-LJQANCHMSA-N 0 3 394.519 3.768 40 0 GHABHN Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN(CC(=O)N3CCCCC3)C2)n1 ZINC000072374831 208009663 /nfs/dbraw/zinc/00/96/63/208009663.db2.gz HYUPURVLKCUJLN-LJQANCHMSA-N 0 3 393.535 3.721 40 0 GHABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2F)CC1 ZINC000100750216 208381045 /nfs/dbraw/zinc/38/10/45/208381045.db2.gz AKQJVCYMGPJCCQ-IEGUWTFLSA-N 0 3 383.511 3.989 40 0 GHABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000100917677 208383105 /nfs/dbraw/zinc/38/31/05/208383105.db2.gz MPPRMKQPZPPZQF-HBMCJLEFSA-N 0 3 388.398 3.877 40 0 GHABHN O=S1(=O)N(Cc2ccccc2)c2ccccc2C12CCN(C1CCC1)CC2 ZINC000306124485 209097583 /nfs/dbraw/zinc/09/75/83/209097583.db2.gz BRAHFEOBKPBHAC-UHFFFAOYSA-N 0 3 382.529 3.880 40 0 GHABHN CC(C)N1CCC(c2cncc(N3C(=O)OC[C@@H]3Cc3ccccc3)n2)CC1 ZINC000257211358 209056048 /nfs/dbraw/zinc/05/60/48/209056048.db2.gz BYPBBSIKQOTTIH-IBGZPJMESA-N 0 3 380.492 3.632 40 0 GHABHN COc1ccccc1CN1CCC(c2n[nH]cc2C(=O)N2CCCCCC2)CC1 ZINC000257245144 209059521 /nfs/dbraw/zinc/05/95/21/209059521.db2.gz IOFSYTAQSSZKHY-UHFFFAOYSA-N 0 3 396.535 3.814 40 0 GHABHN COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)C3CCN(C)CC3)C2)n1 ZINC000072350380 222238471 /nfs/dbraw/zinc/23/84/71/222238471.db2.gz MDRIHJPDCNQFQB-IBGZPJMESA-N 0 3 393.531 3.805 40 0 GHABHN C[C@@]1(O)CCN(CC2CC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000604383324 570354059 /nfs/dbraw/zinc/35/40/59/570354059.db2.gz WJFYZNUWMFRXIN-QNWVGRARSA-N 0 3 382.479 3.532 40 0 biogenic,in-vitro GHABHN Cc1ccc(C(=O)CCCN2CCC(NC(=O)c3cccc(F)c3)CC2)cc1 ZINC000035315427 570469504 /nfs/dbraw/zinc/46/95/04/570469504.db2.gz SUMPMVKUAOKVJL-UHFFFAOYSA-N 0 3 382.479 3.991 40 0 GHABHN COc1ccc(-n2c(SCCN3CCCCC3)nnc2-c2cccnc2)cc1 ZINC000000876236 570504199 /nfs/dbraw/zinc/50/41/99/570504199.db2.gz LTOHDIRPBXUGAO-UHFFFAOYSA-N 0 3 395.532 3.916 40 0 GHABHN O=S(=O)(Cc1ccccc1Cl)NCc1ccccc1CN1CCCCC1 ZINC000224828627 570532855 /nfs/dbraw/zinc/53/28/55/570532855.db2.gz FDAMSPMOCXBHIR-UHFFFAOYSA-N 0 3 392.952 3.946 40 0 GHABHN COc1cccc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000224836554 570533345 /nfs/dbraw/zinc/53/33/45/570533345.db2.gz MMYJEDGLNLEYRB-SFHVURJKSA-N 0 3 382.504 3.765 40 0 GHABHN Cc1ccc2cc(CN(CCN(C)C)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000004231312 570622349 /nfs/dbraw/zinc/62/23/49/570622349.db2.gz ARHLQVRIRISOGW-UHFFFAOYSA-N 0 3 396.466 3.571 40 0 GHABHN COc1cccc([C@H](O)CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000012292520 570633256 /nfs/dbraw/zinc/63/32/56/570633256.db2.gz BLHAWXNGVAHDFH-LJQANCHMSA-N 0 3 395.421 3.731 40 0 GHABHN Cc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044852834 570636294 /nfs/dbraw/zinc/63/62/94/570636294.db2.gz DZYSEYKJUVIBOO-AZUAARDMSA-N 0 3 384.495 3.930 40 0 GHABHN COc1ccc(OC[C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000044908689 570642235 /nfs/dbraw/zinc/64/22/35/570642235.db2.gz WFVOUYOYNVOXMB-SFHVURJKSA-N 0 3 382.504 3.878 40 0 GHABHN COc1ccc(C[NH+]2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)cc1 ZINC000012328587 570643774 /nfs/dbraw/zinc/64/37/74/570643774.db2.gz KEEXBOZJTMWZRK-UHFFFAOYSA-N 0 3 376.460 3.632 40 0 GHABHN C[C@@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013676588 570772127 /nfs/dbraw/zinc/77/21/27/570772127.db2.gz HGSIMIKVWUOIQA-OKILXGFUSA-N 0 3 393.380 3.781 40 0 GHABHN COc1ccccc1[C@@]1(O)CCC[C@H]2CN(Cc3cnc(C(C)C)nc3)C[C@H]21 ZINC000072340982 570880973 /nfs/dbraw/zinc/88/09/73/570880973.db2.gz ZMAOSUYZYDLIEB-NOXFTYBFSA-N 0 3 381.520 3.728 40 0 GHABHN Cc1cccc(CN2CCOC[C@@]3(CC(=O)N([C@@H](C)c4ccccc4)C3)C2)c1 ZINC000585104778 570933589 /nfs/dbraw/zinc/93/35/89/570933589.db2.gz SZGNEPFJFYQHTA-RDPSFJRHSA-N 0 3 378.516 3.807 40 0 GHABHN COc1ccccc1CN1CCC[C@@H]([C@@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000019570206 856421430 /nfs/dbraw/zinc/42/14/30/856421430.db2.gz AOBDGEUISKTNJI-DENIHFKCSA-N 0 3 379.504 3.570 40 0 GHABHN CC1(C)[C@@H]2C[C@H]1C(CN1CC[C@]3(C1)COCc1cnc(NC4CC4)nc13)=CC2 ZINC000306142590 209109242 /nfs/dbraw/zinc/10/92/42/209109242.db2.gz XDXZTBOPFRAGOW-LTMIRXACSA-N 0 3 380.536 3.517 40 0 GHABHN Cc1ccc(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)c(Cl)c1 ZINC000328978812 206238831 /nfs/dbraw/zinc/23/88/31/206238831.db2.gz GBTLQHDAGBLPJM-UHFFFAOYSA-N 0 3 381.911 3.666 40 0 GHABHN CC(C)C(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccccn3)CC[C@H]21 ZINC000019086090 207102515 /nfs/dbraw/zinc/10/25/15/207102515.db2.gz NKYPNBFWGQSYON-YPAWHYETSA-N 0 3 381.495 3.693 40 0 GHABHN Cc1cc(C(F)(F)F)n2nc(C3CCN(Cc4cccnc4)CC3)cc2n1 ZINC000019117217 207102624 /nfs/dbraw/zinc/10/26/24/207102624.db2.gz YSMPKILDXCMVEE-UHFFFAOYSA-N 0 3 375.398 3.831 40 0 GHABHN Cc1ccc2occ(CN3C[C@@H]4CCCN4C[C@@H]3Cc3ccccc3)c(=O)c2c1 ZINC000019219845 207107466 /nfs/dbraw/zinc/10/74/66/207107466.db2.gz NUHYRBUQVIZZJC-VXKWHMMOSA-N 0 3 388.511 3.993 40 0 GHABHN COc1ccc(OC)c(CN[C@@H]2CCCN(C(C)=O)[C@H]2c2ccc(C)s2)c1 ZINC000019217322 207107791 /nfs/dbraw/zinc/10/77/91/207107791.db2.gz YFOPUKPRBAQHJQ-WIYYLYMNSA-N 0 3 388.533 3.916 40 0 GHABHN Cc1c2cccc(C)c2oc1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019236742 207108870 /nfs/dbraw/zinc/10/88/70/207108870.db2.gz MPSHUDMLFFDZLS-LJQANCHMSA-N 0 3 390.487 3.805 40 0 GHABHN O=C(c1cc([C@@H]2CCCN(Cc3ccnc4ccccc34)C2)no1)N1CCCC1 ZINC000019376078 207120182 /nfs/dbraw/zinc/12/01/82/207120182.db2.gz POQNSJPWSYDTEO-GOSISDBHSA-N 0 3 390.487 3.838 40 0 GHABHN CC(C)Oc1cccc(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1 ZINC000019450879 207122485 /nfs/dbraw/zinc/12/24/85/207122485.db2.gz HPEBKWHNULPIBN-QFIPXVFZSA-N 0 3 380.536 3.979 40 0 GHABHN Fc1ccccc1-c1ccccc1CN1CCC[C@H]1c1nnc2n1CCNCC2 ZINC000019706395 207150070 /nfs/dbraw/zinc/15/00/70/207150070.db2.gz XAMGKNRAHIWBLD-NRFANRHFSA-N 0 3 391.494 3.567 40 0 GHABHN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC[C@@H](N4CCCC4)C3)c2)n1 ZINC000019718347 207155882 /nfs/dbraw/zinc/15/58/82/207155882.db2.gz LPSHUKCNGIUGAS-GOSISDBHSA-N 0 3 386.927 3.843 40 0 GHABHN COC(=O)c1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000030946433 207377829 /nfs/dbraw/zinc/37/78/29/207377829.db2.gz BWBOTMDLDPCKIO-KRWDZBQOSA-N 0 3 386.879 3.977 40 0 GHABHN NC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC000072352545 208001557 /nfs/dbraw/zinc/00/15/57/208001557.db2.gz SRTFOVMKJFEPIA-MRXNPFEDSA-N 0 3 388.496 3.933 40 0 GHABHN COc1c(C)cccc1CN1CCC[C@@H]([C@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000072398569 208013916 /nfs/dbraw/zinc/01/39/16/208013916.db2.gz OEQRTXAFJKWUBA-KNQAVFIVSA-N 0 3 393.531 3.878 40 0 GHABHN CN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(Cc1ccco1)CC2 ZINC000096036958 208255722 /nfs/dbraw/zinc/25/57/22/208255722.db2.gz FRDKZFOZYCTQJD-UHFFFAOYSA-N 0 3 380.467 3.719 40 0 GHABHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C1=O ZINC000096900845 208325289 /nfs/dbraw/zinc/32/52/89/208325289.db2.gz ISIBQCTYOALSME-HJNYFJLDSA-N 0 3 399.450 3.750 40 0 GHABHN Cc1ccc(C2(C(=O)N3Cc4cc(C)ccc4OC[C@@H]3CN(C)C)CC2)cc1 ZINC000100738676 208377940 /nfs/dbraw/zinc/37/79/40/208377940.db2.gz RAFOZNOMTLAQQJ-NRFANRHFSA-N 0 3 378.516 3.686 40 0 GHABHN CCC[C@H]1[C@H]2C(=O)N(c3ccccc3OCC)C(=O)C2ON1c1ccccc1 ZINC000101146500 208387097 /nfs/dbraw/zinc/38/70/97/208387097.db2.gz DYGSNVAEYHBMBN-SXLOBPIMSA-N 0 3 380.444 3.564 40 0 GHABHN Cc1ccc(CN2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccc2)s1 ZINC000306136023 209104551 /nfs/dbraw/zinc/10/45/51/209104551.db2.gz PGWWMKSKCKFEBC-LEWJYISDSA-N 0 3 377.513 3.940 40 0 GHABHN COc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc(F)cc4)C2)OC3)cc1 ZINC000306137432 209103795 /nfs/dbraw/zinc/10/37/95/209103795.db2.gz QWBFRFKDZQHSFZ-QHCPKHFHSA-N 0 3 393.462 3.873 40 0 GHABHN COc1ccccc1O[C@H](C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224840239 208934751 /nfs/dbraw/zinc/93/47/51/208934751.db2.gz DYONZPPIRPMJCV-GOSISDBHSA-N 0 3 382.504 3.765 40 0 GHABHN COc1ccc(CN2CC[C@@]3(C2)Cn2c(-c4cccs4)cnc2CO3)cc1 ZINC000306126438 209097606 /nfs/dbraw/zinc/09/76/06/209097606.db2.gz DVWXTTQKPJHZCK-OAQYLSRUSA-N 0 3 381.501 3.795 40 0 GHABHN CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CCN(Cc3ccc(F)cc3)C2)nc1C ZINC000257286793 209069031 /nfs/dbraw/zinc/06/90/31/209069031.db2.gz PNBHHXCCTJBIFG-LJQANCHMSA-N 0 3 398.526 3.633 40 0 GHABHN COc1cccc(CN2CCC[C@H]([C@H](NC(=O)C(C)C)c3nccs3)C2)c1 ZINC000072341413 222232114 /nfs/dbraw/zinc/23/21/14/222232114.db2.gz IVCPPTPTNOGADB-HKUYNNGSSA-N 0 3 387.549 3.877 40 0 GHABHN CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(CC[C@@H](C)c2ccccc2)C3)C1 ZINC000072390915 222247419 /nfs/dbraw/zinc/24/74/19/222247419.db2.gz VMDYUJXHFVICHB-WIYYLYMNSA-N 0 3 392.547 3.754 40 0 GHABHN OC1(c2csc(CN3CCc4ccccc4C3)n2)CCN(C2CCCC2)CC1 ZINC000225473549 560043218 /nfs/dbraw/zinc/04/32/18/560043218.db2.gz HKYKGMRAGINNBY-UHFFFAOYSA-N 0 3 397.588 3.927 40 0 biogenic,in-vitro GHABHN CN(C)c1ccc(-c2noc([C@@H]3CCCN3CCCc3ccccc3)n2)cn1 ZINC000035426251 560080542 /nfs/dbraw/zinc/08/05/42/560080542.db2.gz GXNNLRSTPGJMMM-IBGZPJMESA-N 0 3 377.492 3.967 40 0 biogenic,in-vitro GHABHN c1cc(-c2ccc(-c3noc([C@@H]4CCCN4C4CCOCC4)n3)cn2)ccn1 ZINC000049155500 560083887 /nfs/dbraw/zinc/08/38/87/560083887.db2.gz KXAVWCXTOOHUST-IBGZPJMESA-N 0 3 377.448 3.510 40 0 biogenic,in-vitro GHABHN CCOCCOc1ccc(CN(C)C[C@@H](O)COc2ccc(C)cc2C)cc1 ZINC000585269796 570238830 /nfs/dbraw/zinc/23/88/30/570238830.db2.gz JXWNYXGEKSSCKM-OAQYLSRUSA-N 0 3 387.520 3.590 40 0 GHABHN Clc1ccc(CN2CC[C@@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000107248564 570309025 /nfs/dbraw/zinc/30/90/25/570309025.db2.gz ANNRKDDJFRFZTF-JOCHJYFZSA-N 0 3 392.890 3.866 40 0 GHABHN CC(=O)NCC1(c2ccccc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC000004214717 570363036 /nfs/dbraw/zinc/36/30/36/570363036.db2.gz VDGZERMDPAAZEJ-UHFFFAOYSA-N 0 3 396.506 3.959 40 0 in-man GHABHN COc1ccccc1CN1[C@@H]2CCC[C@H]1CC(NC(=O)Cc1ccccc1)C2 ZINC000035290520 570457776 /nfs/dbraw/zinc/45/77/76/570457776.db2.gz XWFPOWKBHQSEEQ-FRIKZZABSA-N 0 3 378.516 3.940 40 0 GHABHN COC(=O)c1ccc(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)cc1 ZINC000243562256 570457900 /nfs/dbraw/zinc/45/79/00/570457900.db2.gz OMSHUYTZAYDRLY-UHFFFAOYSA-N 0 3 391.475 3.647 40 0 GHABHN CN(Cc1ccc(OCc2ccccn2)cc1)C[C@@H](O)COc1ccccc1 ZINC000257321467 570487405 /nfs/dbraw/zinc/48/74/05/570487405.db2.gz WBUQLRQZRBLCBL-OAQYLSRUSA-N 0 3 378.472 3.532 40 0 GHABHN COc1cccc(-c2n[nH]cc2CN2CCC(O)(c3ccccc3C)CC2)c1 ZINC000012116819 570611568 /nfs/dbraw/zinc/61/15/68/570611568.db2.gz KYEBLMKDZXHTKI-UHFFFAOYSA-N 0 3 377.488 3.877 40 0 GHABHN O=C(COc1cccc(C(F)(F)F)c1)NCCCN1CCc2ccccc2C1 ZINC000225814429 570620619 /nfs/dbraw/zinc/62/06/19/570620619.db2.gz VACAQUAGBDFNGF-UHFFFAOYSA-N 0 3 392.421 3.649 40 0 GHABHN COc1ccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)c(OC)c1OC ZINC000044882866 570638671 /nfs/dbraw/zinc/63/86/71/570638671.db2.gz YMJCBPFHECAAHJ-UHFFFAOYSA-N 0 3 398.503 3.628 40 0 GHABHN CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000044911440 570642446 /nfs/dbraw/zinc/64/24/46/570642446.db2.gz ZGWCRIWPJZEXTB-SFHVURJKSA-N 0 3 384.451 3.853 40 0 GHABHN Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C ZINC000257234811 570766565 /nfs/dbraw/zinc/76/65/65/570766565.db2.gz GVEIOGCTEZBVAI-FCQWJQKHSA-N 0 3 396.560 3.991 40 0 GHABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2F)CC1 ZINC000257202139 570887803 /nfs/dbraw/zinc/88/78/03/570887803.db2.gz AKQJVCYMGPJCCQ-PMAPCBKXSA-N 0 3 383.511 3.989 40 0 GHABHN CCC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000020139915 570942011 /nfs/dbraw/zinc/94/20/11/570942011.db2.gz WWKVORDRSPNWKS-NRFANRHFSA-N 0 3 396.583 3.858 40 0 GHABHN CCN1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2N)CC1 ZINC000226263541 206258444 /nfs/dbraw/zinc/25/84/44/206258444.db2.gz BHWCKYSKZNMHFD-UHFFFAOYSA-N 0 3 393.318 3.970 40 0 GHABHN Cc1ccc2c(c1)oc(Br)c2CC(=O)N(C)C1CCN(C)CC1 ZINC000027587495 206253494 /nfs/dbraw/zinc/25/34/94/206253494.db2.gz RMSANHCLRGHMKE-UHFFFAOYSA-N 0 3 379.298 3.599 40 0 GHABHN CCCN1CCN(CC2CC2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503336 207126789 /nfs/dbraw/zinc/12/67/89/207126789.db2.gz FJPOMCPEMSPQBT-QFIPXVFZSA-N 0 3 377.532 3.872 40 0 GHABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccccc1Cl ZINC000019819044 207164221 /nfs/dbraw/zinc/16/42/21/207164221.db2.gz UZTBNRKDCCRCOE-HNNXBMFYSA-N 0 3 398.846 3.779 40 0 GHABHN COc1ccc(Br)cc1CN1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019831582 207164899 /nfs/dbraw/zinc/16/48/99/207164899.db2.gz FRJUIIYCYYSTGB-IXDOHACOSA-N 0 3 391.353 3.788 40 0 GHABHN CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Br)c1OC ZINC000022076080 207246951 /nfs/dbraw/zinc/24/69/51/207246951.db2.gz NGBUTBOLXGEAGG-INIZCTEOSA-N 0 3 380.282 3.680 40 0 GHABHN COc1cc(CCN2CCN([C@@H](C)c3ccccc3)CC2)cc(OC)c1OC ZINC000022859153 207263511 /nfs/dbraw/zinc/26/35/11/207263511.db2.gz AEEUODCKQZIBMJ-SFHVURJKSA-N 0 3 384.520 3.634 40 0 GHABHN Fc1ccccc1COc1ccc2ccccc2c1CNCCN1CCOCC1 ZINC000023469467 207278026 /nfs/dbraw/zinc/27/80/26/207278026.db2.gz SOMNGUIHXAEILI-UHFFFAOYSA-N 0 3 394.490 3.980 40 0 GHABHN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1Cc1cn(C)nc1C ZINC000072370354 208005074 /nfs/dbraw/zinc/00/50/74/208005074.db2.gz AKSFPIFOUDXTAP-INIZCTEOSA-N 0 3 382.533 3.510 40 0 GHABHN COCCn1c(C(=O)NCCN2CCCC2)cc2c1c1ccccc1n2C(C)C ZINC000096264186 208298024 /nfs/dbraw/zinc/29/80/24/208298024.db2.gz BUSBWISJIVQJDZ-UHFFFAOYSA-N 0 3 396.535 3.649 40 0 GHABHN COc1ccccc1CN1CC[C@@]2(C1)CN(Cc1cccnc1)c1cccnc12 ZINC000306132024 209102402 /nfs/dbraw/zinc/10/24/02/209102402.db2.gz KVVYTEWGGDAHPE-XMMPIXPASA-N 0 3 386.499 3.649 40 0 GHABHN O[C@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1CNCc1ccc(F)cc1 ZINC000096268982 209014372 /nfs/dbraw/zinc/01/43/72/209014372.db2.gz QFCZTNIIFBNLBM-QNWVGRARSA-N 0 3 396.462 3.722 40 0 biogenic,in-vitro GHABHN Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)[N@@H+]1Cc1ccc(OC2CCCC2)cc1 ZINC000257272519 209063987 /nfs/dbraw/zinc/06/39/87/209063987.db2.gz NCRWHEKHCBGHJR-ZWKOTPCHSA-N 0 3 379.504 3.944 40 0 GHABHN Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)[N@H+]1Cc1ccc(OC2CCCC2)cc1 ZINC000257272519 209063992 /nfs/dbraw/zinc/06/39/92/209063992.db2.gz NCRWHEKHCBGHJR-ZWKOTPCHSA-N 0 3 379.504 3.944 40 0 GHABHN CN1[C@@H]2CCC[C@@H]3N(C(=O)c4ccccn4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257307734 209072381 /nfs/dbraw/zinc/07/23/81/209072381.db2.gz TTWFOMKNZOUGON-QMDPOKHVSA-N 0 3 375.516 3.780 40 0 GHABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(C(=O)c3ccc(N)nc3)C2)n1 ZINC000257311593 209073010 /nfs/dbraw/zinc/07/30/10/209073010.db2.gz UKGIMVUNQJAFBP-INIZCTEOSA-N 0 3 391.450 3.880 40 0 GHABHN CC(=O)Nc1ccc(CN2CCC[C@](O)(COc3ccccc3F)CC2)cc1 ZINC000585270157 570238669 /nfs/dbraw/zinc/23/86/69/570238669.db2.gz HJIIRNOLPDFLPA-JOCHJYFZSA-N 0 3 386.467 3.580 40 0 GHABHN CN(C)CCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118915702 570367078 /nfs/dbraw/zinc/36/70/78/570367078.db2.gz PPMFMAOFTZHACB-OZZKZOCUSA-N 0 3 389.580 3.562 40 0 in-vitro GHABHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2 ZINC000222732848 570422969 /nfs/dbraw/zinc/42/29/69/570422969.db2.gz XYRZQTRYZQZELE-QFBILLFUSA-N 0 3 398.478 3.686 40 0 GHABHN COc1ccc(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)c(OC)c1 ZINC000243817967 570457874 /nfs/dbraw/zinc/45/78/74/570457874.db2.gz QTOHRGYPLBBDLN-UHFFFAOYSA-N 0 3 393.491 3.878 40 0 GHABHN COC(=O)c1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2cccs2)c1 ZINC000035290836 570458390 /nfs/dbraw/zinc/45/83/90/570458390.db2.gz JMPBLADSRAXLPG-AYHJJNSGSA-N 0 3 399.516 3.852 40 0 GHABHN O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000038851355 570587753 /nfs/dbraw/zinc/58/77/53/570587753.db2.gz CVAOYNGFRUQTQJ-IBGZPJMESA-N 0 3 399.485 3.526 40 0 GHABHN O=C(COc1ccc2c(c1)CCCC2)NCCCN1CCc2ccccc2C1 ZINC000225663412 570599899 /nfs/dbraw/zinc/59/98/99/570599899.db2.gz AQYHKAWUBPLZPE-UHFFFAOYSA-N 0 3 378.516 3.509 40 0 GHABHN CCOc1cc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)ccc1OC ZINC000012089071 570607176 /nfs/dbraw/zinc/60/71/76/570607176.db2.gz WDQXCDSCTSADTJ-LIMIJEPZSA-N 0 3 382.504 3.609 40 0 GHABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1cc2c(cc1OC)CCCC2 ZINC000225818654 570621637 /nfs/dbraw/zinc/62/16/37/570621637.db2.gz NJPUZMSZMZFBFU-LJQANCHMSA-N 0 3 394.581 3.507 40 0 GHABHN Cc1cccc2cc(C(=O)Nc3nnc(CCN4CCCC4)s3)c(C)nc12 ZINC000012203382 570625095 /nfs/dbraw/zinc/62/50/95/570625095.db2.gz MOLFFMVFYSOEGI-UHFFFAOYSA-N 0 3 381.505 3.594 40 0 GHABHN COc1cc(CN(CCCn2ccnc2)Cc2ccc(F)cc2)cc2c1OCO2 ZINC000043277681 570626228 /nfs/dbraw/zinc/62/62/28/570626228.db2.gz RBEGOOAJBYJXMP-UHFFFAOYSA-N 0 3 397.450 3.852 40 0 GHABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(C)c(C)c3)CC1)O2 ZINC000012293544 570633638 /nfs/dbraw/zinc/63/36/38/570633638.db2.gz HFIBPYNGULSOGC-FGZHOGPDSA-N 0 3 381.516 3.996 40 0 GHABHN CC(=O)N1CCCc2cc([C@@H](O)CN3CCC(Cc4ccccc4)CC3)ccc21 ZINC000012326493 570643158 /nfs/dbraw/zinc/64/31/58/570643158.db2.gz XPAIBSGIZFUMQR-VWLOTQADSA-N 0 3 392.543 3.974 40 0 GHABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)CCC2 ZINC000012330207 570644743 /nfs/dbraw/zinc/64/47/43/570644743.db2.gz AKXALPNEXAIYSV-FCHUYYIVSA-N 0 3 397.490 3.699 40 0 GHABHN COCCNCc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000008469044 570770008 /nfs/dbraw/zinc/77/00/08/570770008.db2.gz GAYUGTGWCNZARQ-UHFFFAOYSA-N 0 3 398.272 3.912 40 0 GHABHN Cc1cc(C)n(C[C@@H](O)CN(Cc2ccco2)Cc2cccc3ncccc23)n1 ZINC000013992002 570868690 /nfs/dbraw/zinc/86/86/90/570868690.db2.gz CCYMSFZFRCDOHI-FQEVSTJZSA-N 0 3 390.487 3.704 40 0 GHABHN COC(=O)[C@@]1(Cc2ccc(F)cc2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072340200 570880395 /nfs/dbraw/zinc/88/03/95/570880395.db2.gz SYYQGPPOANIFCN-ZRCGQRJVSA-N 0 3 381.447 3.534 40 0 GHABHN O=C(N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]21)c1ccncc1 ZINC000585109765 570938550 /nfs/dbraw/zinc/93/85/50/570938550.db2.gz QTUVKBYNOYCYOD-RJGXRXQPSA-N 0 3 387.458 3.921 40 0 GHABHN CC(C)c1ccc(CN2CCC([C@]3(c4nccs4)CNC(=O)CO3)CC2)cc1 ZINC000019696661 856423568 /nfs/dbraw/zinc/42/35/68/856423568.db2.gz FLILDELLNXZZAN-QFIPXVFZSA-N 0 3 399.560 3.520 40 0 GHABHN O=C1Nc2nc(-c3c([O-])cccc3OCC3CC3)cc([C@H]3CCC[NH2+]C3)c2CO1 ZINC000034293614 857819305 /nfs/dbraw/zinc/81/93/05/857819305.db2.gz IGJVFGZEWDGDOO-AWEZNQCLSA-N 0 3 395.459 3.772 40 0 GHABHN CCN(CC)CCOC(=O)Cc1cccc2c(=O)cc(-c3ccccc3)oc12 ZINC000001566133 206386093 /nfs/dbraw/zinc/38/60/93/206386093.db2.gz ZMLZQKCBYPEYMG-UHFFFAOYSA-N 0 3 379.456 3.888 40 0 GHABHN COc1ccc(CNC(=O)[C@@H](C)NCCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000016695386 207077705 /nfs/dbraw/zinc/07/77/05/207077705.db2.gz DKHVRXDMLXDFDN-QGZVFWFLSA-N 0 3 384.520 3.666 40 0 GHABHN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2Cc1ccccn1 ZINC000019017546 207099850 /nfs/dbraw/zinc/09/98/50/207099850.db2.gz UKWPEIDIAMNZCA-ZRBLBEILSA-N 0 3 381.495 3.980 40 0 GHABHN COc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2ccc(C)cn2)c(OC)c1 ZINC000019215712 207107042 /nfs/dbraw/zinc/10/70/42/207107042.db2.gz VORCYJXEDRDUQI-LIMIJEPZSA-N 0 3 382.504 3.527 40 0 GHABHN CCCc1cc(C(=O)N(C)C2CCC3(CC2)CN(C)Cc2ccccc2O3)no1 ZINC000019525263 207129520 /nfs/dbraw/zinc/12/95/20/207129520.db2.gz UADUHKZRENMRPQ-UHFFFAOYSA-N 0 3 397.519 3.905 40 0 GHABHN COCCOc1ccc(C(=O)N2CCC(c3cc4c[nH]ccc-4n3)CC2)cc1 ZINC000019593653 207143228 /nfs/dbraw/zinc/14/32/28/207143228.db2.gz DCIJUHJLEUBOAL-UHFFFAOYSA-N 0 3 379.460 3.608 40 0 GHABHN COCCOc1ccc(C(=O)N2CCC(c3cc4cnccc4[nH]3)CC2)cc1 ZINC000019593653 207143232 /nfs/dbraw/zinc/14/32/32/207143232.db2.gz DCIJUHJLEUBOAL-UHFFFAOYSA-N 0 3 379.460 3.608 40 0 GHABHN Cc1cccn2c(=O)c(C(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)cnc12 ZINC000019714713 207151692 /nfs/dbraw/zinc/15/16/92/207151692.db2.gz LKHYUMFGEFQBIY-QGZVFWFLSA-N 0 3 390.487 3.630 40 0 GHABHN Fc1ccccc1COc1ccc(Cl)cc1CNCCCN1CCOCC1 ZINC000022074120 207245916 /nfs/dbraw/zinc/24/59/16/207245916.db2.gz HALUDIQLTGMCLY-UHFFFAOYSA-N 0 3 392.902 3.870 40 0 GHABHN Clc1ccc(COc2ccccc2CNCCN2CCOCC2)c(Cl)c1 ZINC000023468428 207278311 /nfs/dbraw/zinc/27/83/11/207278311.db2.gz OWYYUDAHTVPRFT-UHFFFAOYSA-N 0 3 395.330 3.994 40 0 GHABHN CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030939511 207378544 /nfs/dbraw/zinc/37/85/44/207378544.db2.gz BSXSUSHBJOQONP-GOSISDBHSA-N 0 3 397.494 3.816 40 0 GHABHN CCn1cc(CN2CC[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cn1 ZINC000072371659 208006074 /nfs/dbraw/zinc/00/60/74/208006074.db2.gz BPAWNPZKOPEHRN-KRWDZBQOSA-N 0 3 399.926 3.891 40 0 GHABHN CCn1cc(CN2CC[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cn1 ZINC000072371659 208006081 /nfs/dbraw/zinc/00/60/81/208006081.db2.gz BPAWNPZKOPEHRN-KRWDZBQOSA-N 0 3 399.926 3.891 40 0 GHABHN O=C(C[C@@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052797 208255529 /nfs/dbraw/zinc/25/55/29/208255529.db2.gz RYBDPVDWMBGRJT-HXUWFJFHSA-N 0 3 394.515 3.550 40 0 GHABHN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1cccs1)CC2 ZINC000096061339 208257966 /nfs/dbraw/zinc/25/79/66/208257966.db2.gz DCLHQBFBPFQCIB-HXUWFJFHSA-N 0 3 384.545 3.745 40 0 GHABHN Clc1cccc(CN2CC[C@]3(C2)COCc2cnc(-c4cccnc4)nc23)c1 ZINC000096244277 208295683 /nfs/dbraw/zinc/29/56/83/208295683.db2.gz CKABGBKOVFNVTF-QFIPXVFZSA-N 0 3 392.890 3.866 40 0 GHABHN Cc1ccc(CN2C[C@H]3[C@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)s1 ZINC000306136026 209104530 /nfs/dbraw/zinc/10/45/30/209104530.db2.gz PGWWMKSKCKFEBC-SFTDATJTSA-N 0 3 377.513 3.940 40 0 GHABHN CCCCc1ncc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C(C)=O)[nH]1 ZINC000257278942 209067347 /nfs/dbraw/zinc/06/73/47/209067347.db2.gz OEIKAGSCXXJVDR-YPAWHYETSA-N 0 3 380.536 3.589 40 0 GHABHN COc1ccc2c(c1)C(=O)N[C@@]1(CCN([C@H](C)Cc3ccccc3F)C1)CC2 ZINC000072395781 222252310 /nfs/dbraw/zinc/25/23/10/222252310.db2.gz OVBSVHJFZZWAJS-WAIKUNEKSA-N 0 3 382.479 3.586 40 0 GHABHN Cc1ccc(C)c2[nH]c(=O)c(CNC[C@@H](O)COc3ccc(Cl)cc3)cc12 ZINC000585284992 570254356 /nfs/dbraw/zinc/25/43/56/570254356.db2.gz MVJVYXAHJAZMMD-QGZVFWFLSA-N 0 3 386.879 3.740 40 0 GHABHN CN1CCN(C(=O)CCCc2ccccc2)C[C@H](COCc2ccccc2)C1 ZINC000072354529 570339325 /nfs/dbraw/zinc/33/93/25/570339325.db2.gz KGXZTNAXPKEWPA-HSZRJFAPSA-N 0 3 380.532 3.616 40 0 GHABHN COc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039772792 570446396 /nfs/dbraw/zinc/44/63/96/570446396.db2.gz ATZZSCMTRIMZLL-UHFFFAOYSA-N 0 3 384.495 3.795 40 0 GHABHN COc1cccc(CCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000039755578 570447931 /nfs/dbraw/zinc/44/79/31/570447931.db2.gz WFMAWUUEYINKHA-UHFFFAOYSA-N 0 3 380.532 3.965 40 0 GHABHN Cc1ccc(C)c(OCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000224040448 570495891 /nfs/dbraw/zinc/49/58/91/570495891.db2.gz SQAUYQIRTZIBKW-FQEVSTJZSA-N 0 3 384.495 3.850 40 0 GHABHN COc1cc(CNC(=O)c2ccc(CN3CCCCC3)cc2)cc(OC)c1OC ZINC000009888226 570562208 /nfs/dbraw/zinc/56/22/08/570562208.db2.gz KZSKOIOYVRNLSH-UHFFFAOYSA-N 0 3 398.503 3.628 40 0 GHABHN CCOc1ccc(NC(=O)CC2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1 ZINC000039964100 570594633 /nfs/dbraw/zinc/59/46/33/570594633.db2.gz YZGOVLIYLXIENT-LJQANCHMSA-N 0 3 390.443 3.514 40 0 GHABHN CC(C)(C)c1ccc([C@@H](O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000012292272 570633254 /nfs/dbraw/zinc/63/32/54/570633254.db2.gz XLFUNISZKVMDKD-FQEVSTJZSA-N 0 3 397.515 3.730 40 0 GHABHN COc1ccc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2cccc(OC)c2OC)C3)cc1 ZINC000012361640 570645647 /nfs/dbraw/zinc/64/56/47/570645647.db2.gz INIHHFYWYVMQGQ-VXMMSVGHSA-N 0 3 397.515 3.832 40 0 GHABHN C[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2 ZINC000260842852 570710376 /nfs/dbraw/zinc/71/03/76/570710376.db2.gz XYRZQTRYZQZELE-LPHOPBHVSA-N 0 3 398.478 3.686 40 0 GHABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1c(F)cccc1Cl ZINC000010544240 570792553 /nfs/dbraw/zinc/79/25/53/570792553.db2.gz IZVBBSIIBSMXNL-CQSZACIVSA-N 0 3 376.925 3.553 40 0 GHABHN CN(C)C(=O)c1cnc(C2(C)CCN(Cc3ccc4cc[nH]c4c3)CC2)s1 ZINC000585182563 571000186 /nfs/dbraw/zinc/00/01/86/571000186.db2.gz RVURDCQWOWLYGX-UHFFFAOYSA-N 0 3 382.533 3.880 40 0 GHABHN CN(C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)n1 ZINC000329071897 206243517 /nfs/dbraw/zinc/24/35/17/206243517.db2.gz ZTJVHPQFKHZDNB-UHFFFAOYSA-N 0 3 393.335 3.653 40 0 GHABHN Cc1cc2cc(C(=O)N3CCC(c4ncc5c(n4)CCN(C)C5)CC3)ccc2o1 ZINC000019126352 207104359 /nfs/dbraw/zinc/10/43/59/207104359.db2.gz HURQHUKAMPDFIG-UHFFFAOYSA-N 0 3 390.487 3.539 40 0 GHABHN O=C(c1cc(C2CCCCC2)no1)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019292187 207114327 /nfs/dbraw/zinc/11/43/27/207114327.db2.gz ZVBCBYAQHALFHB-IBGZPJMESA-N 0 3 395.507 3.525 40 0 GHABHN O=C(c1ccccc1-c1ccccc1)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019374239 207120267 /nfs/dbraw/zinc/12/02/67/207120267.db2.gz APAQWAVISYJGMC-IBGZPJMESA-N 0 3 398.510 3.809 40 0 GHABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1c[nH]c2ccc(F)cc21 ZINC000019374901 207120398 /nfs/dbraw/zinc/12/03/98/207120398.db2.gz QUDNUGSXUNYYOT-LEWJYISDSA-N 0 3 396.462 3.691 40 0 GHABHN CC1CCN([C@H](CNC(=O)c2ccc(Cn3ccnc3)o2)c2ccccc2)CC1 ZINC000019496809 207124602 /nfs/dbraw/zinc/12/46/02/207124602.db2.gz USVYRBPMRIWRHL-OAQYLSRUSA-N 0 3 392.503 3.727 40 0 GHABHN CC(C)Oc1ccc(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)cc1 ZINC000019450652 207121453 /nfs/dbraw/zinc/12/14/53/207121453.db2.gz VDTIVCSCWFHBPE-QFIPXVFZSA-N 0 3 380.536 3.979 40 0 GHABHN C[C@H]1C[C@H](C)CN(Cc2c3cccn(CC(=O)N(C)C)c-3nc2C(F)(F)F)C1 ZINC000019462580 207123109 /nfs/dbraw/zinc/12/31/09/207123109.db2.gz DFWHBCZURRWXHU-KBPBESRZSA-N 0 3 396.457 3.573 40 0 GHABHN COc1ccc(CN2CCC[C@H](c3noc(-c4cnccn4)n3)C2)c(C)c1C ZINC000019577370 207138078 /nfs/dbraw/zinc/13/80/78/207138078.db2.gz CSITZRKBZZTMEO-KRWDZBQOSA-N 0 3 379.464 3.532 40 0 GHABHN Cc1ncc(C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)c(C)n1 ZINC000019552485 207132082 /nfs/dbraw/zinc/13/20/82/207132082.db2.gz IEWXTJKPXXBIKG-CEMLEFRQSA-N 0 3 378.520 3.576 40 0 GHABHN CN(C(=O)c1cc(C2CC2)on1)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019590883 207141043 /nfs/dbraw/zinc/14/10/43/207141043.db2.gz CYDXFEDFSYVBJE-UHFFFAOYSA-N 0 3 395.503 3.830 40 0 GHABHN C/C(=C\c1ccccc1)CN1CCC(c2nc(C)c3c(n2)N(C)C(=O)CC3)CC1 ZINC000019739496 207156684 /nfs/dbraw/zinc/15/66/84/207156684.db2.gz QWDOGJCFCBUWEV-BMRADRMJSA-N 0 3 390.531 3.977 40 0 GHABHN c1ccc(COc2ccc3ccccc3c2CNCCN2CCOCC2)cc1 ZINC000023468980 207277876 /nfs/dbraw/zinc/27/78/76/207277876.db2.gz HCWBLYLLHPQNJB-UHFFFAOYSA-N 0 3 376.500 3.841 40 0 GHABHN CC(=O)N1CCC(N2CCC[C@@H](c3nccnc3Oc3ccc(C)cc3)C2)CC1 ZINC000072363021 208006564 /nfs/dbraw/zinc/00/65/64/208006564.db2.gz GBAWDYWPHGJTRK-LJQANCHMSA-N 0 3 394.519 3.768 40 0 GHABHN O=C(C[C@@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21)NC1CC1 ZINC000096052991 208259261 /nfs/dbraw/zinc/25/92/61/208259261.db2.gz QMRZLXYTVVGWCW-LJQANCHMSA-N 0 3 375.516 3.771 40 0 GHABHN CC1CCN(CCOc2ccc(NC(=O)C(C)(C)Br)cc2)CC1 ZINC000225594392 208961762 /nfs/dbraw/zinc/96/17/62/208961762.db2.gz NDMARBQMBBILCJ-UHFFFAOYSA-N 0 3 383.330 3.909 40 0 GHABHN CCOc1ccccc1-c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C)[nH]n1 ZINC000257262095 209061699 /nfs/dbraw/zinc/06/16/99/209061699.db2.gz LKACYHIPOFIKRI-XFXDKIQJSA-N 0 3 394.519 3.563 40 0 GHABHN CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ncccn1 ZINC000257279495 209065598 /nfs/dbraw/zinc/06/55/98/209065598.db2.gz OGXBUTHLEFYYDZ-FPFQSLQCSA-N 0 3 390.531 3.565 40 0 GHABHN C[C@@H](CCN1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1)c1ccccc1 ZINC000072389557 136169274 /nfs/dbraw/zinc/16/92/74/136169274.db2.gz YWQDDJSFYAVFQZ-SFHVURJKSA-N 0 3 380.536 3.558 40 0 GHABHN CC(C)NC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039757649 527727255 /nfs/dbraw/zinc/72/72/55/527727255.db2.gz DGIYWGANGVBTIJ-UHFFFAOYSA-N 0 3 397.494 3.815 40 0 GHABHN COCCOc1ncccc1-c1noc([C@@H]2CCCN2CC2CCCCC2)n1 ZINC000035424974 560080929 /nfs/dbraw/zinc/08/09/29/560080929.db2.gz XMYUEKUXJKDTFS-SFHVURJKSA-N 0 3 386.496 3.874 40 0 biogenic,in-vitro GHABHN CC(=O)N1CCC[C@H](NCc2cccc(F)c2F)[C@@H]1Cc1ccc(F)cc1 ZINC000585286939 570255944 /nfs/dbraw/zinc/25/59/44/570255944.db2.gz YHNKWMLFDBJJPE-PMACEKPBSA-N 0 3 376.422 3.816 40 0 GHABHN Cc1cccc(CN2CCC(C(=O)NCc3nc(-c4ccccc4)no3)CC2)c1 ZINC000219406834 570359268 /nfs/dbraw/zinc/35/92/68/570359268.db2.gz ZMBHCKXZRXBOPB-UHFFFAOYSA-N 0 3 390.487 3.573 40 0 GHABHN Cc1noc(C)c1COc1ccc(CN(C)C[C@H](O)COc2ccccc2)cc1 ZINC000257284666 570489065 /nfs/dbraw/zinc/48/90/65/570489065.db2.gz PDSMXPYNYHSFFN-FQEVSTJZSA-N 0 3 396.487 3.742 40 0 GHABHN O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000007498856 570506231 /nfs/dbraw/zinc/50/62/31/570506231.db2.gz OVUBTULZZRXHED-UHFFFAOYSA-N 0 3 397.906 3.538 40 0 GHABHN CCSc1nnc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)s1 ZINC000224838380 570533120 /nfs/dbraw/zinc/53/31/20/570533120.db2.gz IRPBNDAHFCIEQK-UHFFFAOYSA-N 0 3 376.551 3.809 40 0 GHABHN COc1cc(CNC[C@@H](C)O)cc(Br)c1OCc1ccccc1 ZINC000008535048 570533262 /nfs/dbraw/zinc/53/32/62/570533262.db2.gz AONOAGZFRXAGIU-CYBMUJFWSA-N 0 3 380.282 3.507 40 0 GHABHN COc1ccc(C(C)(C)C)cc1CN1[C@@H]2CC[C@H]1CC(O)(c1nccn1C)C2 ZINC000012116985 570611584 /nfs/dbraw/zinc/61/15/84/570611584.db2.gz MNXOUJBJJDGSTN-LIMIJEPZSA-N 0 3 383.536 3.741 40 0 GHABHN COC(=O)c1ccc(C)c(NC(=S)NCCCN2CCc3ccccc3C2)c1 ZINC000225743062 570611919 /nfs/dbraw/zinc/61/19/19/570611919.db2.gz QGJVTGWSBDQCRM-UHFFFAOYSA-N 0 3 397.544 3.516 40 0 GHABHN COc1ccc2c(c1)C=C(CN1CCC[C@@](O)(c3ccc(F)cc3)CC1)CO2 ZINC000012251863 570631149 /nfs/dbraw/zinc/63/11/49/570631149.db2.gz ULUWDLHCBOMXDH-QHCPKHFHSA-N 0 3 383.463 3.984 40 0 GHABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccc(F)cc1 ZINC000012292719 570633862 /nfs/dbraw/zinc/63/38/62/570633862.db2.gz PCXVPJDVCBCGEO-MOPGFXCFSA-N 0 3 391.870 3.863 40 0 GHABHN COc1cccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000044906845 570641721 /nfs/dbraw/zinc/64/17/21/570641721.db2.gz LMJKEEQFSOORRJ-HXUWFJFHSA-N 0 3 384.495 3.795 40 0 GHABHN CC[C@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(OC)cc1 ZINC000012362806 570646294 /nfs/dbraw/zinc/64/62/94/570646294.db2.gz WTSGQAZJDITBDD-QGZVFWFLSA-N 0 3 387.549 3.660 40 0 GHABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000004301410 570971270 /nfs/dbraw/zinc/97/12/70/570971270.db2.gz MBEIPAAIJONRMZ-NJYVYQBISA-N 0 3 388.423 3.893 40 0 GHABHN CN(CCNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccccc1 ZINC000044916666 856442863 /nfs/dbraw/zinc/44/28/63/856442863.db2.gz NJKBRRYXZNFFGG-IBGZPJMESA-N 0 3 385.939 3.805 40 0 GHABHN CN1CCN(Cc2ccc(-c3ccccc3)cc2)C[C@H](Cc2ccccn2)C1=O ZINC000019696812 860323881 /nfs/dbraw/zinc/32/38/81/860323881.db2.gz IFQVQYWUZKSAAK-QHCPKHFHSA-N 0 3 385.511 3.882 40 0 GHABHN COc1ccc([C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285514 207111560 /nfs/dbraw/zinc/11/15/60/207111560.db2.gz YNHSEZBJUIOBNL-VQTJNVASSA-N 0 3 393.462 3.609 40 0 GHABHN COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285514 207111563 /nfs/dbraw/zinc/11/15/63/207111563.db2.gz YNHSEZBJUIOBNL-VQTJNVASSA-N 0 3 393.462 3.609 40 0 GHABHN Cc1nc(C)c(C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)s1 ZINC000019559949 207134519 /nfs/dbraw/zinc/13/45/19/207134519.db2.gz MHSWJWXUDXQYSO-UHFFFAOYSA-N 0 3 385.533 3.696 40 0 GHABHN COc1ccccc1/C=C/CN1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019590308 207140757 /nfs/dbraw/zinc/14/07/57/207140757.db2.gz DOSUACGESOKBGZ-WFNSPDMASA-N 0 3 378.520 3.714 40 0 GHABHN CN1CCC(C(=O)N2CCC[C@H](c3cncc(-c4cccc(Cl)c4)n3)C2)CC1 ZINC000072359850 208004143 /nfs/dbraw/zinc/00/41/43/208004143.db2.gz SDBBHQBOYXIBCW-SFHVURJKSA-N 0 3 398.938 3.845 40 0 GHABHN COc1ccccc1OCCc1cc([C@H]2CCN(Cc3cnc(C)s3)C2)n[nH]1 ZINC000072371789 208006711 /nfs/dbraw/zinc/00/67/11/208006711.db2.gz GAEKYOULSAINES-INIZCTEOSA-N 0 3 398.532 3.794 40 0 GHABHN COc1ccccc1OCCc1cc([C@H]2CCN(Cc3cnc(C)s3)C2)[nH]n1 ZINC000072371789 208006719 /nfs/dbraw/zinc/00/67/19/208006719.db2.gz GAEKYOULSAINES-INIZCTEOSA-N 0 3 398.532 3.794 40 0 GHABHN COc1ccc(CN2Cc3c(nc(C)n3CC3CC3)C3(CCN(C)CC3)C2)cc1 ZINC000306133563 209101868 /nfs/dbraw/zinc/10/18/68/209101868.db2.gz MPOIWBCAWMWEIN-UHFFFAOYSA-N 0 3 394.563 3.589 40 0 GHABHN Cc1ncsc1CN1CCC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306128913 209098600 /nfs/dbraw/zinc/09/86/00/209098600.db2.gz HOGDWFJITCZMBD-SFHVURJKSA-N 0 3 390.516 3.936 40 0 GHABHN c1cc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)cs1 ZINC000306127389 209096954 /nfs/dbraw/zinc/09/69/54/209096954.db2.gz FXKGHKUYFMOZKV-NRFANRHFSA-N 0 3 395.484 3.515 40 0 GHABHN COc1cccc(Nc2cc(C)nc([C@H]3CCN(Cc4cnn(C)c4)C3)c2)c1 ZINC000257333730 209078776 /nfs/dbraw/zinc/07/87/76/209078776.db2.gz YCVCOCHUVXVDDL-SFHVURJKSA-N 0 3 377.492 3.865 40 0 GHABHN CN(Cc1ccc(OCc2ccccn2)cc1)C[C@@H](O)COC1CCCCC1 ZINC000585262526 570230415 /nfs/dbraw/zinc/23/04/15/570230415.db2.gz KRCQHOZYFUJNJQ-OAQYLSRUSA-N 0 3 384.520 3.803 40 0 GHABHN CN(CCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000219426820 570360182 /nfs/dbraw/zinc/36/01/82/570360182.db2.gz DBRCGTNYUNPLBQ-UHFFFAOYSA-N 0 3 383.511 3.680 40 0 GHABHN CCC(=O)c1ccc(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000004320413 570367530 /nfs/dbraw/zinc/36/75/30/570367530.db2.gz CTSCDVGXOUUSJP-QFIPXVFZSA-N 0 3 381.516 3.974 40 0 GHABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 ZINC000223289234 570456353 /nfs/dbraw/zinc/45/63/53/570456353.db2.gz FMBLUBSTGDJFPA-RTWAWAEBSA-N 0 3 397.592 3.922 40 0 GHABHN Cn1nnnc1SCCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007524734 570507239 /nfs/dbraw/zinc/50/72/39/570507239.db2.gz DGVLFSFLGUSJAY-UHFFFAOYSA-N 0 3 384.292 3.659 40 0 GHABHN COc1cc(CNC[C@@H](C)O)cc(Br)c1OCc1ccccc1F ZINC000008535050 570533255 /nfs/dbraw/zinc/53/32/55/570533255.db2.gz NIHDAKLZNZBEIH-GFCCVEGCSA-N 0 3 398.272 3.646 40 0 GHABHN C[C@H]1C[C@H](C)C[NH+](CCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000010544057 570571669 /nfs/dbraw/zinc/57/16/69/570571669.db2.gz NVIOCQOGJZGUAS-STQMWFEESA-N 0 3 379.353 3.640 40 0 GHABHN COc1cccc([C@@H](O)CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000012292532 570633305 /nfs/dbraw/zinc/63/33/05/570633305.db2.gz IVUVIKNCDVJGHX-IBGZPJMESA-N 0 3 395.421 3.731 40 0 GHABHN COC(=O)Cn1cc(CN2CCC(O)(c3ccc(C)cc3)CC2)c2ccccc21 ZINC000012292769 570633906 /nfs/dbraw/zinc/63/39/06/570633906.db2.gz REWUZBZNWJLSLL-UHFFFAOYSA-N 0 3 392.499 3.606 40 0 GHABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2c(c1)CCC2 ZINC000012330144 570644546 /nfs/dbraw/zinc/64/45/46/570644546.db2.gz PLUDDOXJYPWKRH-FGZHOGPDSA-N 0 3 379.500 3.559 40 0 GHABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2c(c1)CCCC2 ZINC000012330243 570644558 /nfs/dbraw/zinc/64/45/58/570644558.db2.gz OXSDXEJQZORRNL-XZOQPEGZSA-N 0 3 393.527 3.950 40 0 GHABHN CC[C@@H](CN1CCCC1)NC(=O)Cc1csc(Nc2ccccc2F)n1 ZINC000012362853 570646245 /nfs/dbraw/zinc/64/62/45/570646245.db2.gz JOYCFDVCFQLQGW-AWEZNQCLSA-N 0 3 376.501 3.559 40 0 GHABHN CN1CCN(C(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000006734501 570750523 /nfs/dbraw/zinc/75/05/23/570750523.db2.gz PEYRVLMAZCMCQX-UHFFFAOYSA-N 0 3 391.559 3.529 40 0 GHABHN COc1ccccc1[C@@]1(O)CCC[C@@H]2CN(Cc3cnc(C(C)C)nc3)C[C@H]21 ZINC000072340983 570880843 /nfs/dbraw/zinc/88/08/43/570880843.db2.gz ZMAOSUYZYDLIEB-XQFWAAQXSA-N 0 3 381.520 3.728 40 0 GHABHN CCCc1ncc(CN2C[C@H]3CCC[C@](O)(c4ccccc4OC)[C@@H]3C2)cn1 ZINC000072340985 570881110 /nfs/dbraw/zinc/88/11/10/570881110.db2.gz OXYYHSFARQYGBZ-XQFWAAQXSA-N 0 3 381.520 3.557 40 0 GHABHN c1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019369600 570925409 /nfs/dbraw/zinc/92/54/09/570925409.db2.gz ZMSPJIQWFOCDOI-JOCHJYFZSA-N 0 3 394.567 3.828 40 0 GHABHN O=C(N[C@@H]1c2ccccc2[C@@H]2CN(Cc3ccc(F)cc3F)C[C@@H]21)C(F)F ZINC000585109771 570938704 /nfs/dbraw/zinc/93/87/04/570938704.db2.gz SAXUKHGINQHOHI-XYJFISCASA-N 0 3 378.369 3.616 40 0 GHABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](CCC)[C@H]3C2=O)cc1 ZINC000004936169 571014208 /nfs/dbraw/zinc/01/42/08/571014208.db2.gz GQPKHYLBDZZBAC-HBMCJLEFSA-N 0 3 394.471 3.954 40 0 GHABHN c1csc(-c2cnc3n2CC[C@]32CCN(Cc3ccc4c(c3)OCO4)C2)c1 ZINC000306140114 209106500 /nfs/dbraw/zinc/10/65/00/209106500.db2.gz UKKVCSBXYMLJBM-NRFANRHFSA-N 0 3 379.485 3.888 40 0 GHABHN Cc1ccc(CN2CCC3(CC2)CN(C)Cc2nnc(-c4cccs4)n23)s1 ZINC000306141963 209105736 /nfs/dbraw/zinc/10/57/36/209105736.db2.gz WLINTYYZJGBSFN-UHFFFAOYSA-N 0 3 399.589 3.813 40 0 GHABHN Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1CN(Cc1ccc(OC3CCCC3)cc1)C2 ZINC000019291381 207115294 /nfs/dbraw/zinc/11/52/94/207115294.db2.gz CKUOTEWSNUKNKN-VXMMSVGHSA-N 0 3 395.547 3.861 40 0 GHABHN COc1cccc(CN2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)c1OC ZINC000019567852 207135877 /nfs/dbraw/zinc/13/58/77/207135877.db2.gz MSLBRVGSSUQPDZ-QGZVFWFLSA-N 0 3 380.448 3.528 40 0 GHABHN COc1cccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CCN(Cc4ccsc4)C[C@@H]32)c1 ZINC000019566389 207136712 /nfs/dbraw/zinc/13/67/12/207136712.db2.gz KIRFERUAAOCWPC-YPAWHYETSA-N 0 3 396.556 3.983 40 0 GHABHN Cc1c(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cnn1C ZINC000019694088 207148388 /nfs/dbraw/zinc/14/83/88/207148388.db2.gz GVDLGBSHQQCDHO-IBGZPJMESA-N 0 3 390.535 3.631 40 0 GHABHN CN1CCc2nc([C@H]3CCN(C(=O)c4ccccc4-c4ccccc4)C3)ncc2C1 ZINC000019590645 207142701 /nfs/dbraw/zinc/14/27/01/207142701.db2.gz JRFANEOTSZEVPJ-IBGZPJMESA-N 0 3 398.510 3.761 40 0 GHABHN Cc1ccc(CNc2nc(C3CC[NH+](Cc4cccnc4)CC3)cc(=O)[n-]2)cc1 ZINC000019717504 207154673 /nfs/dbraw/zinc/15/46/73/207154673.db2.gz NGJWMCWCBGRMMF-UHFFFAOYSA-N 0 3 389.503 3.877 40 0 GHABHN Cc1ccccc1CNc1nc(C2CC[NH+](Cc3cccnc3)CC2)cc(=O)[n-]1 ZINC000019717507 207154730 /nfs/dbraw/zinc/15/47/30/207154730.db2.gz ALOZNJZZEDQLHE-UHFFFAOYSA-N 0 3 389.503 3.877 40 0 GHABHN COc1ccc2c(c1)OCC(c1cncn1Cc1ccccc1CN(C)C)=C2 ZINC000019719409 207155838 /nfs/dbraw/zinc/15/58/38/207155838.db2.gz HAHZNNGDSJGUTD-UHFFFAOYSA-N 0 3 375.472 3.935 40 0 GHABHN O=C(COc1ccc2ccccc2c1)N1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000020083512 207177855 /nfs/dbraw/zinc/17/78/55/207177855.db2.gz NAZVMRKYJCRHEF-COPCDDAFSA-N 0 3 376.500 3.575 40 0 GHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1cccc(F)c1 ZINC000020798556 207214394 /nfs/dbraw/zinc/21/43/94/207214394.db2.gz VNRXGOFELYRHJD-SFHVURJKSA-N 0 3 396.418 3.654 40 0 GHABHN CCc1cc(-c2cc(NC[C@H](c3ccc(C)cc3)N(C)C)nc(C)n2)n(C)n1 ZINC000072373249 208009201 /nfs/dbraw/zinc/00/92/01/208009201.db2.gz CECXBWDOXQRZQR-OAQYLSRUSA-N 0 3 378.524 3.771 40 0 GHABHN CCn1cc(CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cn1 ZINC000072376666 208010068 /nfs/dbraw/zinc/01/00/68/208010068.db2.gz OHQLYVOXTBMCML-HXUWFJFHSA-N 0 3 390.535 3.806 40 0 GHABHN CC(C)N1CCN(c2ccc3ccc(C(=O)NCCc4cccs4)cn32)CC1 ZINC000096156088 208279740 /nfs/dbraw/zinc/27/97/40/208279740.db2.gz IPKKDENWXQVIKA-UHFFFAOYSA-N 0 3 396.560 3.504 40 0 GHABHN O=C(Cc1cccs1)N1CC[C@@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216377 208286491 /nfs/dbraw/zinc/28/64/91/208286491.db2.gz KDUPGDWMGJYEEE-QFIPXVFZSA-N 0 3 384.545 3.684 40 0 GHABHN Clc1cccc(CN2CC[C@@]3(C2)COCc2cnc(-c4cccnc4)nc23)c1 ZINC000096244276 208292414 /nfs/dbraw/zinc/29/24/14/208292414.db2.gz CKABGBKOVFNVTF-JOCHJYFZSA-N 0 3 392.890 3.866 40 0 GHABHN c1cc(CN2CCC(n3cnc4ncc(-c5ccncc5)nc43)CC2)cs1 ZINC000306128801 209099389 /nfs/dbraw/zinc/09/93/89/209099389.db2.gz HKYFTYMVLWVABO-UHFFFAOYSA-N 0 3 376.489 3.787 40 0 GHABHN CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(CCC(C)(C)C)C[C@H]21 ZINC000514289299 560032987 /nfs/dbraw/zinc/03/29/87/560032987.db2.gz HQEVAPXZSOVUIZ-CTNGQTDRSA-N 0 3 379.504 3.702 40 0 biogenic,in-vitro GHABHN CN(C)CCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C2CC2)n1 ZINC000329038649 570214093 /nfs/dbraw/zinc/21/40/93/570214093.db2.gz RTUVNDZNPOOSAB-UHFFFAOYSA-N 0 3 399.848 3.587 40 0 GHABHN O=C1CCCC[C@]2(CN(CCOc3ccc(F)cc3)C[C@H]2c2ccccc2)N1 ZINC000585261773 570228753 /nfs/dbraw/zinc/22/87/53/570228753.db2.gz JBMZQIAYGAAWBU-JTHBVZDNSA-N 0 3 382.479 3.733 40 0 GHABHN COc1cc(CN[C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)cc(OC)c1 ZINC000585289902 570257759 /nfs/dbraw/zinc/25/77/59/570257759.db2.gz WVIFMDLCUOVASQ-PWRODBHTSA-N 0 3 391.895 3.808 40 0 GHABHN CC1CCN(Cc2ccc(C(=O)NCc3nc(-c4cccs4)no3)cc2)CC1 ZINC000219236133 570349893 /nfs/dbraw/zinc/34/98/93/570349893.db2.gz DCXJBVPVOWGNPV-UHFFFAOYSA-N 0 3 396.516 3.960 40 0 GHABHN CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3[O-])nn2)CC(C)(C)[NH2+]1 ZINC000146605125 570443374 /nfs/dbraw/zinc/44/33/74/570443374.db2.gz STWTUEAWRAIWJG-UHFFFAOYSA-N 0 3 393.491 3.927 40 0 GHABHN COc1ccc(NC(=S)NC2CCN(Cc3cccs3)CC2)c(OC)c1 ZINC000225229986 570557979 /nfs/dbraw/zinc/55/79/79/570557979.db2.gz WVAUTFPTDXJOSB-UHFFFAOYSA-N 0 3 391.562 3.716 40 0 GHABHN CCN1CCN(c2ccc(NCc3cc4cc(C)ccc4[nH]c3=O)cc2)CC1 ZINC000012088337 570606514 /nfs/dbraw/zinc/60/65/14/570606514.db2.gz ATDQRDKCACSSOR-UHFFFAOYSA-N 0 3 376.504 3.591 40 0 GHABHN COc1ccccc1C1(O)CCN(C[C@H](O)c2ccc3c(c2)CCCC3)CC1 ZINC000012292615 570633680 /nfs/dbraw/zinc/63/36/80/570633680.db2.gz KPSSUYSJJISTBK-QFIPXVFZSA-N 0 3 381.516 3.591 40 0 GHABHN CC[C@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 ZINC000012362757 570646206 /nfs/dbraw/zinc/64/62/06/570646206.db2.gz BOIPPHKBNSOQIF-QGZVFWFLSA-N 0 3 375.513 3.791 40 0 GHABHN COC(=O)[C@]1(Cc2cccc(F)c2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072340255 570880407 /nfs/dbraw/zinc/88/04/07/570880407.db2.gz CPGPVEFITTVHQH-QTEQDKRBSA-N 0 3 381.447 3.534 40 0 GHABHN O=C(CCc1ccc(Cl)cc1)N1CCC[C@]2(CCN2C[C@H]2CCCO2)C1 ZINC000585101802 570927432 /nfs/dbraw/zinc/92/74/32/570927432.db2.gz HKSXFUCULRDLJV-CTNGQTDRSA-N 0 3 376.928 3.519 40 0 GHABHN CSc1ccc([C@@H]2NC(=NC3CCCCC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000101983243 231011507 /nfs/dbraw/zinc/01/15/07/231011507.db2.gz MCEIPFGBHYSEBU-GOSISDBHSA-N 0 3 383.521 3.524 40 0 GHABHN C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@]12Cc1c(c3c(cc1[O-])CNC3=[NH2+])O2 ZINC000252516343 206281275 /nfs/dbraw/zinc/28/12/75/206281275.db2.gz SDIGNZADDDFEPI-AVWNJZFJSA-N 0 3 384.520 3.728 40 0 biogenic,in-vitro GHABHN O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3ccco3)[C@@H]2C(=O)N1c1ccccc1 ZINC000017920320 207091497 /nfs/dbraw/zinc/09/14/97/207091497.db2.gz CWZHOIMVEOWUSX-OTWHNJEPSA-N 0 3 394.814 3.984 40 0 GHABHN COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCN(Cc4cccc(OC)c4)C[C@@H]32)cc1 ZINC000019019433 207101809 /nfs/dbraw/zinc/10/18/09/207101809.db2.gz RMFWARZHUOCHKT-WXFUMESZSA-N 0 3 394.515 3.540 40 0 GHABHN CC(C)Oc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1 ZINC000019450580 207122548 /nfs/dbraw/zinc/12/25/48/207122548.db2.gz AITRSFFJMMJJPY-IBGZPJMESA-N 0 3 390.487 3.609 40 0 GHABHN CC(C)Oc1ccc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1 ZINC000019450580 207122554 /nfs/dbraw/zinc/12/25/54/207122554.db2.gz AITRSFFJMMJJPY-IBGZPJMESA-N 0 3 390.487 3.609 40 0 GHABHN COc1ccc2nc(CN[C@@H]3CCC(=O)N[C@H]3c3cc(F)cc(F)c3)ccc2c1 ZINC000019563713 207134317 /nfs/dbraw/zinc/13/43/17/207134317.db2.gz WKRLBLKVFYTMNW-IRLDBZIGSA-N 0 3 397.425 3.631 40 0 GHABHN COc1ccc(CN2CCC[C@@H](c3noc(-c4cnccn4)n3)C2)c(C)c1C ZINC000019577369 207138178 /nfs/dbraw/zinc/13/81/78/207138178.db2.gz CSITZRKBZZTMEO-QGZVFWFLSA-N 0 3 379.464 3.532 40 0 GHABHN COc1ccc(CN2CCC(c3cc(C(=O)N4CCCCC4)on3)CC2)cc1 ZINC000019555015 207133069 /nfs/dbraw/zinc/13/30/69/207133069.db2.gz KDSDUQTZADHHBY-UHFFFAOYSA-N 0 3 383.492 3.689 40 0 GHABHN Cc1c(-c2cc(C(=O)NC3(CN4CCC(C)CC4)CCCCC3)on2)cnn1C ZINC000019554220 207133321 /nfs/dbraw/zinc/13/33/21/207133321.db2.gz FKBMNNKLALAUJI-UHFFFAOYSA-N 0 3 399.539 3.548 40 0 GHABHN CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCCCN2CC(C)(C)C)n1 ZINC000019687701 207148760 /nfs/dbraw/zinc/14/87/60/207148760.db2.gz UZWZWEBQJLMDQS-LJQANCHMSA-N 0 3 395.551 3.882 40 0 GHABHN Cc1noc(C)c1C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C ZINC000019580078 207140460 /nfs/dbraw/zinc/14/04/60/207140460.db2.gz RDRJZRMQQHCPMC-ZVDOUQERSA-N 0 3 385.483 3.913 40 0 GHABHN CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCN(Cc2cccnc2)C1 ZINC000019591762 207141720 /nfs/dbraw/zinc/14/17/20/207141720.db2.gz OJIPYRSUYSHEJL-RUZDIDTESA-N 0 3 385.511 3.929 40 0 GHABHN O=C(CCc1ccc2c(c1)OCCO2)NCc1ccccc1CN1CCCCC1 ZINC000024618231 207292834 /nfs/dbraw/zinc/29/28/34/207292834.db2.gz CQPPVBUZKUJQKP-UHFFFAOYSA-N 0 3 394.515 3.693 40 0 GHABHN CCOc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N(C)C)cc1 ZINC000028296060 207340338 /nfs/dbraw/zinc/34/03/38/207340338.db2.gz DWWLVZSEIPDJRP-HXUWFJFHSA-N 0 3 379.460 3.773 40 0 GHABHN CC1CCN(CCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000030872502 207378233 /nfs/dbraw/zinc/37/82/33/207378233.db2.gz ZWQIHGINLGJYDR-UHFFFAOYSA-N 0 3 388.533 3.879 40 0 GHABHN COc1cccc(-c2noc([C@H]3CCN(Cc4cccc(OC)c4OC)C3)n2)c1 ZINC000072369874 208004876 /nfs/dbraw/zinc/00/48/76/208004876.db2.gz ACHHEBQWIFEYIR-KRWDZBQOSA-N 0 3 395.459 3.752 40 0 GHABHN Cc1cc(Nc2ccccn2)cc([C@H]2CCCN2CC(=O)N2CCC(C)CC2)n1 ZINC000072372495 208005761 /nfs/dbraw/zinc/00/57/61/208005761.db2.gz DXQQIZJKHKGFNS-OAQYLSRUSA-N 0 3 393.535 3.924 40 0 GHABHN Cc1nn(C)cc1CN1CC[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371466 208006761 /nfs/dbraw/zinc/00/67/61/208006761.db2.gz CNAICARGPPTTLQ-MRXNPFEDSA-N 0 3 399.926 3.716 40 0 GHABHN Cc1nn(C)cc1CN1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371466 208006766 /nfs/dbraw/zinc/00/67/66/208006766.db2.gz CNAICARGPPTTLQ-MRXNPFEDSA-N 0 3 399.926 3.716 40 0 GHABHN O=C(C[C@H]1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21)NC1CC1 ZINC000096052990 208258784 /nfs/dbraw/zinc/25/87/84/208258784.db2.gz LAMGKOPREVNJJZ-SFHVURJKSA-N 0 3 375.516 3.771 40 0 GHABHN COc1cccc(CN2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)c1 ZINC000096244342 208295266 /nfs/dbraw/zinc/29/52/66/208295266.db2.gz UKGZUYMRCFDUEC-XMMPIXPASA-N 0 3 387.483 3.826 40 0 GHABHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C1=O ZINC000096900846 208325762 /nfs/dbraw/zinc/32/57/62/208325762.db2.gz ISIBQCTYOALSME-FCEUIQTBSA-N 0 3 399.450 3.750 40 0 GHABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2F)CC1 ZINC000100750214 208381400 /nfs/dbraw/zinc/38/14/00/208381400.db2.gz AKQJVCYMGPJCCQ-IXFSTUDKSA-N 0 3 383.511 3.989 40 0 GHABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4C)[C@@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000100799312 208381542 /nfs/dbraw/zinc/38/15/42/208381542.db2.gz GNDIHGXIRKDVMJ-HKBOAZHASA-N 0 3 388.423 3.948 40 0 GHABHN c1cncc(-c2ccc3nc([C@H]4CCN(Cc5ccc6c(c5)OCO6)C4)nn3c2)c1 ZINC000306132529 209101997 /nfs/dbraw/zinc/10/19/97/209101997.db2.gz LLOJLWBKFIZQTI-IBGZPJMESA-N 0 3 399.454 3.510 40 0 GHABHN O=C1CO[C@@]2(CN1CCc1ccccc1)CCCN(Cc1cccc(F)c1)CC2 ZINC000257277261 209066108 /nfs/dbraw/zinc/06/61/08/209066108.db2.gz NXCNVJYFIVBLKA-DEOSSOPVSA-N 0 3 396.506 3.652 40 0 GHABHN Cc1nc[nH]c1CN(C)[C@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O ZINC000257343919 209080883 /nfs/dbraw/zinc/08/08/83/209080883.db2.gz ZUYFKBVRSQSJGQ-LCNLMQJVSA-N 0 3 383.536 3.785 40 0 GHABHN COC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000039753383 534051233 /nfs/dbraw/zinc/05/12/33/534051233.db2.gz KQFLHPKNTSOTQJ-UHFFFAOYSA-N 0 3 384.451 3.771 40 0 GHABHN COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCCN2CC(C)C)cc1 ZINC000019766474 570217607 /nfs/dbraw/zinc/21/76/07/570217607.db2.gz AUWWTDKRSLSOOU-NRFANRHFSA-N 0 3 396.535 3.907 40 0 GHABHN COc1ccc(OC[C@@H](O)CN(C)Cc2c3cc(C)cnc3[nH]c2C(C)C)cc1 ZINC000057773796 570373627 /nfs/dbraw/zinc/37/36/27/570373627.db2.gz GCEHITWBMSRGAF-KRWDZBQOSA-N 0 3 397.519 3.875 40 0 GHABHN CC(C)(CNC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1)N1CCCCC1 ZINC000035316561 570469824 /nfs/dbraw/zinc/46/98/24/570469824.db2.gz XXUWXJWHCHEVIF-UHFFFAOYSA-N 0 3 395.482 3.530 40 0 GHABHN CCOc1cc(CNCc2ccc(C)cc2)ccc1OCC(=O)NC(C)(C)C ZINC000007538014 570507378 /nfs/dbraw/zinc/50/73/78/570507378.db2.gz IPVGQXRZWUSKQZ-UHFFFAOYSA-N 0 3 384.520 3.977 40 0 GHABHN CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038854366 570588411 /nfs/dbraw/zinc/58/84/11/570588411.db2.gz DUWGANSQZOLMHU-GOSISDBHSA-N 0 3 397.494 3.815 40 0 GHABHN C[C@H]1CCCCN1CCNc1ncc(-c2cnccn2)c(-c2cccs2)n1 ZINC000012239922 570630126 /nfs/dbraw/zinc/63/01/26/570630126.db2.gz MIMORLAVLJDNHO-HNNXBMFYSA-N 0 3 380.521 3.948 40 0 GHABHN CC[C@H](CN1CCCC1)NC(=O)Cc1csc(-c2cccc(Cl)c2)n1 ZINC000012362863 570646225 /nfs/dbraw/zinc/64/62/25/570646225.db2.gz GAIRHVNEJHDYFO-MRXNPFEDSA-N 0 3 377.941 3.997 40 0 GHABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(F)cc2)CC1 ZINC000257291713 570903451 /nfs/dbraw/zinc/90/34/51/570903451.db2.gz QIHYOIQIBJECQL-DNVFCKCGSA-N 0 3 383.511 3.989 40 0 GHABHN Cc1cccc(CN2CCOC[C@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)c1 ZINC000585104776 570933737 /nfs/dbraw/zinc/93/37/37/570933737.db2.gz SZGNEPFJFYQHTA-HYBUGGRVSA-N 0 3 378.516 3.807 40 0 GHABHN CS(=O)(=O)c1ccc(OCCN[C@@H]2CCc3cc(F)c(Cl)cc32)cc1 ZINC000527857460 873678119 /nfs/dbraw/zinc/67/81/19/873678119.db2.gz BMPCVVVGYNOUMA-GOSISDBHSA-N 0 3 383.872 3.539 40 0 GHABHN CCN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2N)CC1 ZINC000226263553 206258519 /nfs/dbraw/zinc/25/85/19/206258519.db2.gz OQAZTYNMSYMWLN-UHFFFAOYSA-N 0 3 393.318 3.970 40 0 GHABHN COc1ccccc1CN(CCN(C)C)C(=O)Cc1coc2cc(C)ccc12 ZINC000012238268 206874169 /nfs/dbraw/zinc/87/41/69/206874169.db2.gz AERMNILYDRJXPC-UHFFFAOYSA-N 0 3 380.488 3.883 40 0 GHABHN COc1ccc([C@H]2CN(Cc3cccc(OC)c3)[C@@H]3CCCN(C(C)=O)[C@@H]32)cc1 ZINC000019017764 207099290 /nfs/dbraw/zinc/09/92/90/207099290.db2.gz RNEOICBJBSNCNL-WXFUMESZSA-N 0 3 394.515 3.683 40 0 GHABHN Cc1c2cc(C)ccc2oc1C(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019220377 207107950 /nfs/dbraw/zinc/10/79/50/207107950.db2.gz WPODZGNVZLKCIN-UHFFFAOYSA-N 0 3 390.487 3.505 40 0 GHABHN COc1ccc(Br)cc1CN1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000019361795 207118321 /nfs/dbraw/zinc/11/83/21/207118321.db2.gz HZIUADIWXDMZDB-DAYGRLMNSA-N 0 3 379.342 3.764 40 0 GHABHN CCCN1CCN(CC2CC2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503051 207126829 /nfs/dbraw/zinc/12/68/29/207126829.db2.gz SOKLGGDRXFGFLN-HSZRJFAPSA-N 0 3 377.532 3.872 40 0 GHABHN CCc1nccn1CCC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C ZINC000019523638 207128723 /nfs/dbraw/zinc/12/87/23/207128723.db2.gz ZBCFHNKYTKIGAF-PQNGQFLHSA-N 0 3 394.563 3.705 40 0 GHABHN COc1cc2c(cc1CN1C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C1)CCCC2 ZINC000019550514 207130835 /nfs/dbraw/zinc/13/08/35/207130835.db2.gz BJWQFPAZMYPLJD-LEEZEASISA-N 0 3 378.516 3.699 40 0 GHABHN COc1ccc(CN2CCC[C@H](c3nn(C)c4nccnc34)C2)cc1OC(C)C ZINC000019450491 207120988 /nfs/dbraw/zinc/12/09/88/207120988.db2.gz SFEDVNZBNKFRSO-KRWDZBQOSA-N 0 3 395.507 3.539 40 0 GHABHN Cc1noc(-c2cnc(C)nc2[C@@H]2CCCN2C(=O)CN2CCCCCC2)c1C ZINC000019558430 207135232 /nfs/dbraw/zinc/13/52/32/207135232.db2.gz ZPQUVTHRTCOAER-IBGZPJMESA-N 0 3 397.523 3.596 40 0 GHABHN Cc1cc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[n-]3)CC2)cc(C)c1O ZINC000019569980 207135694 /nfs/dbraw/zinc/13/56/94/207135694.db2.gz BHRXGNVMTLEGDG-UHFFFAOYSA-N 0 3 390.487 3.946 40 0 GHABHN CC1CCN(c2ncc(CN(Cc3ccccc3)C3CCN(C)CC3)cn2)CC1 ZINC000019715734 207154109 /nfs/dbraw/zinc/15/41/09/207154109.db2.gz MEROWXKXGMPYNS-UHFFFAOYSA-N 0 3 393.579 3.809 40 0 GHABHN COc1cc2c(cc1-c1cncn1Cc1ccccc1CN(C)C)OCCCO2 ZINC000019720013 207155546 /nfs/dbraw/zinc/15/55/46/207155546.db2.gz MTTZROIKJBCCEU-UHFFFAOYSA-N 0 3 393.487 3.830 40 0 GHABHN COc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)[nH]n3)C2)c1 ZINC000072371183 208005780 /nfs/dbraw/zinc/00/57/80/208005780.db2.gz OWGHQCOLCQKPJX-GOSISDBHSA-N 0 3 396.535 3.860 40 0 GHABHN COc1ccc(CN2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)cc1 ZINC000096038273 208255382 /nfs/dbraw/zinc/25/53/82/208255382.db2.gz WZKRNNRKQSYACD-UHFFFAOYSA-N 0 3 391.519 3.718 40 0 GHABHN COc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4cccc(F)c4)C2)OC3)c1 ZINC000306130447 209100382 /nfs/dbraw/zinc/10/03/82/209100382.db2.gz JGNWBHNDDDJTJZ-HSZRJFAPSA-N 0 3 393.462 3.873 40 0 GHABHN COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)N(C2CCC2)C3)cc1 ZINC000096111875 209009611 /nfs/dbraw/zinc/00/96/11/209009611.db2.gz OAZXJWVHROAYBQ-FPOVZHCZSA-N 0 3 378.472 3.616 40 0 biogenic,in-vitro GHABHN Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C ZINC000257251142 209059133 /nfs/dbraw/zinc/05/91/33/209059133.db2.gz JPOGQGRLXQEOMJ-WGVRVLLMSA-N 0 3 382.533 3.601 40 0 GHABHN Cc1ccccc1Cc1cccc(C2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000072349729 222236607 /nfs/dbraw/zinc/23/66/07/222236607.db2.gz SRFZNKTXXNWCKD-UHFFFAOYSA-N 0 3 377.532 3.783 40 0 GHABHN Cc1cc(Nc2cc(-c3ccccn3)nc(NCCN(C)C)n2)ccc1Cl ZINC000329042622 570214493 /nfs/dbraw/zinc/21/44/93/570214493.db2.gz SPHOUMVTSZSQMG-UHFFFAOYSA-N 0 3 382.899 3.639 40 0 GHABHN CC1(C)CCC(N2CCOC[C@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 ZINC000585284123 570252183 /nfs/dbraw/zinc/25/21/83/570252183.db2.gz VBWVZJDOTCOBHU-FQEVSTJZSA-N 0 3 385.907 3.890 40 0 GHABHN Cc1ccc(OC[C@H](O)CNCc2cc3cc(C)cc(C)c3[nH]c2=O)c(C)c1 ZINC000585284500 570253528 /nfs/dbraw/zinc/25/35/28/570253528.db2.gz LMPMCUAFXOAARZ-HXUWFJFHSA-N 0 3 380.488 3.704 40 0 GHABHN COc1ccc(CN[C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)c(OC)c1 ZINC000585289004 570256993 /nfs/dbraw/zinc/25/69/93/570256993.db2.gz MEBZZXABPOKETM-QKNQBKEWSA-N 0 3 391.895 3.808 40 0 GHABHN CN1CCN(C(=O)CCCc2ccccc2)C[C@@H](COCc2ccccc2)C1 ZINC000072354530 570339347 /nfs/dbraw/zinc/33/93/47/570339347.db2.gz KGXZTNAXPKEWPA-QHCPKHFHSA-N 0 3 380.532 3.616 40 0 GHABHN CCN(CC)C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)[C@@H](COC)OC ZINC000004792380 570406081 /nfs/dbraw/zinc/40/60/81/570406081.db2.gz SWYKAZJQKQLLEF-FGZHOGPDSA-N 0 3 399.531 3.734 40 0 GHABHN CCOCCOc1ccc(CN(C)C[C@H](O)Cn2ccc3ccccc32)cc1 ZINC000257265149 570488157 /nfs/dbraw/zinc/48/81/57/570488157.db2.gz LXMSVMQXMIZMIC-NRFANRHFSA-N 0 3 382.504 3.550 40 0 GHABHN O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccccc1CN1CCCC1 ZINC000224779775 570530273 /nfs/dbraw/zinc/53/02/73/570530273.db2.gz OZTBVIZZDJKLIT-UHFFFAOYSA-N 0 3 378.925 3.555 40 0 GHABHN O=S(=O)(Cc1c(F)cccc1Cl)NCc1ccccc1CN1CCCC1 ZINC000224779915 570530524 /nfs/dbraw/zinc/53/05/24/570530524.db2.gz ZLYUOYRQADGBIA-UHFFFAOYSA-N 0 3 396.915 3.695 40 0 GHABHN O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000225014565 570543676 /nfs/dbraw/zinc/54/36/76/570543676.db2.gz DNSUPGMXONJXDU-LJQANCHMSA-N 0 3 397.494 3.513 40 0 GHABHN COc1ccc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000011715909 570580614 /nfs/dbraw/zinc/58/06/14/570580614.db2.gz HQJKWOGIKJYUAC-GOSISDBHSA-N 0 3 382.504 3.765 40 0 GHABHN COc1ccccc1CN1CCC[C@H]([C@@H]2CN(C(C)=O)Cc3ccccc3O2)C1 ZINC000012235568 570629669 /nfs/dbraw/zinc/62/96/69/570629669.db2.gz VQOWNOUTBHBUHD-RDPSFJRHSA-N 0 3 394.515 3.717 40 0 GHABHN CCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293696 570634139 /nfs/dbraw/zinc/63/41/39/570634139.db2.gz GOXDKFVCTRRDGZ-FCHUYYIVSA-N 0 3 397.515 3.778 40 0 GHABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc(Cl)cc1 ZINC000012329803 570644193 /nfs/dbraw/zinc/64/41/93/570644193.db2.gz FDLIAMLIJIYFHF-RBUKOAKNSA-N 0 3 391.870 3.863 40 0 GHABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2c(c1)CCCC2 ZINC000012330236 570644807 /nfs/dbraw/zinc/64/48/07/570644807.db2.gz OXSDXEJQZORRNL-PKTZIBPZSA-N 0 3 393.527 3.950 40 0 GHABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccc(F)c2)CC1 ZINC000257261162 570895480 /nfs/dbraw/zinc/89/54/80/570895480.db2.gz LGAFSCHTIDYXOA-LTMIRXACSA-N 0 3 383.511 3.989 40 0 GHABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccc(F)c2)CC1 ZINC000257261163 570896082 /nfs/dbraw/zinc/89/60/82/570896082.db2.gz LGAFSCHTIDYXOA-LYHRCORUSA-N 0 3 383.511 3.989 40 0 GHABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000226259384 206259289 /nfs/dbraw/zinc/25/92/89/206259289.db2.gz IGRRGBPYNMVMNN-UHFFFAOYSA-N 0 3 393.318 3.970 40 0 GHABHN CN(C)CCn1ncc2c1-c1ccccc1OC21CCN(Cc2ccco2)CC1 ZINC000306137328 209103414 /nfs/dbraw/zinc/10/34/14/209103414.db2.gz QTCVIASTJSNHKT-UHFFFAOYSA-N 0 3 392.503 3.588 40 0 GHABHN C[C@H](C(=O)Nc1cccc(CN2CCCCC2)c1)n1cnc2ccccc2c1=O ZINC000019080639 207102728 /nfs/dbraw/zinc/10/27/28/207102728.db2.gz OFJLSCOVJYXVER-QGZVFWFLSA-N 0 3 390.487 3.582 40 0 GHABHN O=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1)C1CCOCC1 ZINC000019332829 207117118 /nfs/dbraw/zinc/11/71/18/207117118.db2.gz XWYXBXWDUJDTSF-UHFFFAOYSA-N 0 3 390.955 3.769 40 0 GHABHN Cc1ccsc1CN1CCN(c2ccccc2[C@@H](O)c2nccs2)CC1 ZINC000019238650 207110699 /nfs/dbraw/zinc/11/06/99/207110699.db2.gz KYKGJIFPOGZSGY-LJQANCHMSA-N 0 3 385.558 3.917 40 0 GHABHN CC(=O)N1CCc2nc(C3CCN(Cc4ccc(C(C)C)cc4)CC3)ncc2C1 ZINC000019453196 207121330 /nfs/dbraw/zinc/12/13/30/207121330.db2.gz IDOFEKARDAEZRE-UHFFFAOYSA-N 0 3 392.547 3.884 40 0 GHABHN NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000072358390 208003696 /nfs/dbraw/zinc/00/36/96/208003696.db2.gz KHMFNGYMNOTZDX-LJQANCHMSA-N 0 3 390.462 3.761 40 0 GHABHN Cc1c(CN2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)cnn1C ZINC000072376035 208009908 /nfs/dbraw/zinc/00/99/08/208009908.db2.gz AANMVEKZGARFOC-GOSISDBHSA-N 0 3 376.508 3.950 40 0 GHABHN Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccc5[nH]ccc5c4)C3)C2)n1 ZINC000096216212 208285882 /nfs/dbraw/zinc/28/58/82/208285882.db2.gz NMSZLXINRBPLBT-XMMPIXPASA-N 0 3 388.515 4.000 40 0 GHABHN Cc1ccc(CN2CCC[C@@]3(CCN(C(=O)c4cccc(N(C)C)c4)C3)C2)o1 ZINC000096215904 208287144 /nfs/dbraw/zinc/28/71/44/208287144.db2.gz LVZBGWABXOXCSZ-HSZRJFAPSA-N 0 3 381.520 3.782 40 0 GHABHN CNCc1cc([C@H]2CC[C@H](CN(C)C(=O)Cc3ccc(C)c(C)c3)CC2)nn1C ZINC000100687635 208378233 /nfs/dbraw/zinc/37/82/33/208378233.db2.gz LSVNAUDWXKDJBM-TYKWCNGQSA-N 0 3 396.579 3.731 40 0 GHABHN Cc1ccc(CN2C[C@@H]3[C@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)s1 ZINC000306136025 209103973 /nfs/dbraw/zinc/10/39/73/209103973.db2.gz PGWWMKSKCKFEBC-RTWAWAEBSA-N 0 3 377.513 3.940 40 0 GHABHN CN1CCC(C(=O)N2CCC[C@@](C)(c3ncc(Cc4ccccc4F)o3)C2)CC1 ZINC000257301095 209071687 /nfs/dbraw/zinc/07/16/87/209071687.db2.gz RWZFLMFDKWOQFZ-HSZRJFAPSA-N 0 3 399.510 3.626 40 0 GHABHN COc1cccc(-c2ccc3c(c2)O[C@H]2CN(CCC(C)C)C[C@H]2N(C)C3=O)c1 ZINC000514290327 560029851 /nfs/dbraw/zinc/02/98/51/560029851.db2.gz XRLCJOVKWAJRFH-GGAORHGYSA-N 0 3 394.515 3.926 40 0 biogenic,in-vitro GHABHN COc1cc2c(c(-c3cc(O)cc4c3[C@H](C)N(C)CC4)c1O)[C@H](C)N(C)CC2 ZINC000003847257 570351886 /nfs/dbraw/zinc/35/18/86/570351886.db2.gz VXOBJLYKDCJCGV-KBPBESRZSA-N 0 3 382.504 3.871 40 0 GHABHN CN(C)CCN(Cc1cccnc1)Cc1ccccc1OCc1ccccn1 ZINC000022931564 570379481 /nfs/dbraw/zinc/37/94/81/570379481.db2.gz KNQKDNXAQOZTNP-UHFFFAOYSA-N 0 3 376.504 3.619 40 0 GHABHN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000222908835 570430978 /nfs/dbraw/zinc/43/09/78/570430978.db2.gz WONLZGWCKMMDFA-UXHICEINSA-N 0 3 377.517 3.896 40 0 GHABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 ZINC000223276595 570455217 /nfs/dbraw/zinc/45/52/17/570455217.db2.gz IEZTWTINSQGLHP-SFTDATJTSA-N 0 3 397.592 3.922 40 0 GHABHN COc1ccccc1CN1[C@@H]2CCC[C@H]1CC(NC(=S)NCC(C)C)C2 ZINC000035289801 570455447 /nfs/dbraw/zinc/45/54/47/570455447.db2.gz QXAXVXPUHLUHME-YQQQUEKLSA-N 0 3 375.582 3.701 40 0 GHABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1ccc(F)cc1 ZINC000012292722 570633684 /nfs/dbraw/zinc/63/36/84/570633684.db2.gz PCXVPJDVCBCGEO-OALUTQOASA-N 0 3 391.870 3.863 40 0 GHABHN CC[C@@H](CN1CCCC1)NC(=O)Cc1csc(-c2cccc(Cl)c2)n1 ZINC000012362859 570646285 /nfs/dbraw/zinc/64/62/85/570646285.db2.gz GAIRHVNEJHDYFO-INIZCTEOSA-N 0 3 377.941 3.997 40 0 GHABHN Fc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CCN(C2CCCC2)CC1 ZINC000019347819 570925155 /nfs/dbraw/zinc/92/51/55/570925155.db2.gz LRGABEBUMZHZBE-OAQYLSRUSA-N 0 3 398.530 3.577 40 0 GHABHN Cc1ncc(CN2CCC[C@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)s1 ZINC000585099821 570925815 /nfs/dbraw/zinc/92/58/15/570925815.db2.gz CXXBJXFPLIGIFK-FQEVSTJZSA-N 0 3 388.537 3.604 40 0 GHABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](CCC)[C@H]3C2=O)cc1 ZINC000004936166 571014185 /nfs/dbraw/zinc/01/41/85/571014185.db2.gz GQPKHYLBDZZBAC-NJYVYQBISA-N 0 3 394.471 3.954 40 0 GHABHN COc1cc(CN2CC[C@@H]3[C@H]2CCCCN3C(C)=O)ccc1OC1CCCC1 ZINC000019712473 856426293 /nfs/dbraw/zinc/42/62/93/856426293.db2.gz QUAWEHBGENPDMT-NHCUHLMSSA-N 0 3 386.536 3.992 40 0 GHABHN COc1ccc2nc(CN3C[C@H]4CCC[C@@H](C3)C4(O)c3cccnc3)ccc2c1 ZINC000019563661 210264098 /nfs/dbraw/zinc/26/40/98/210264098.db2.gz MTCQNXWQBVCNSH-VXMMSVGHSA-N 0 3 389.499 3.758 40 0 GHABHN Cc1nn(-c2ccccc2C)c(C)c1CN(CCN(C)C)Cc1ccccn1 ZINC000019237580 210235925 /nfs/dbraw/zinc/23/59/25/210235925.db2.gz DUDFWOXEBUYBFR-UHFFFAOYSA-N 0 3 377.536 3.756 40 0 GHABHN Cc1cc2c(cc1C)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(F)cc3)CC1)O2 ZINC000012293746 209929694 /nfs/dbraw/zinc/92/96/94/209929694.db2.gz OKEGUWIUESQILP-RTWAWAEBSA-N 0 3 385.479 3.827 40 0 GHABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000004982024 209554705 /nfs/dbraw/zinc/55/47/05/209554705.db2.gz MPPRMKQPZPPZQF-NJYVYQBISA-N 0 3 388.398 3.877 40 0 GHABHN CN1CC2(CCN(Cc3cccs3)CC2)c2nn(-c3ccccc3)cc2C1=O ZINC000306132931 212049718 /nfs/dbraw/zinc/04/97/18/212049718.db2.gz LWQVWGDDWJHXII-UHFFFAOYSA-N 0 3 392.528 3.553 40 0 GHABHN CC(C)c1cccc(C(=O)N2CCO[C@]3(CCCC[C@H]3[NH+]3CCCC3)C2)c1[O-] ZINC000306124317 212044912 /nfs/dbraw/zinc/04/49/12/212044912.db2.gz BMOWRXCBCTWGEJ-NFBKMPQASA-N 0 3 386.536 3.765 40 0 GHABHN Cc1noc(C)c1-c1cccc(C2CCN(C(=O)C3(C)CCN(C)CC3)CC2)n1 ZINC000257261680 212012220 /nfs/dbraw/zinc/01/22/20/212012220.db2.gz LIJUBVBISPLDOA-UHFFFAOYSA-N 0 3 396.535 3.791 40 0 GHABHN COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)COC(C)C)C3)c2)c1 ZINC000257211176 212003465 /nfs/dbraw/zinc/00/34/65/212003465.db2.gz BXTWUPJULDHBOT-KRWDZBQOSA-N 0 3 383.492 3.883 40 0 GHABHN CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1ccnn1C ZINC000072370754 211103752 /nfs/dbraw/zinc/10/37/52/211103752.db2.gz TUUNAPKIXBXTPQ-MRXNPFEDSA-N 0 3 396.560 3.982 40 0 GHABHN COc1ccc(OCCc2cc([C@@H]3CCN(Cc4cnc(C)s4)C3)n[nH]2)cc1 ZINC000072371794 211102194 /nfs/dbraw/zinc/10/21/94/211102194.db2.gz GNVDWOXSRZLYPJ-MRXNPFEDSA-N 0 3 398.532 3.794 40 0 GHABHN COc1ccc(OCCc2cc([C@@H]3CCN(Cc4cnc(C)s4)C3)[nH]n2)cc1 ZINC000072371794 211102197 /nfs/dbraw/zinc/10/21/97/211102197.db2.gz GNVDWOXSRZLYPJ-MRXNPFEDSA-N 0 3 398.532 3.794 40 0 GHABHN CN1CCC(C(=O)N2CCC[C@H](c3nccnc3-c3cccc(Cl)c3)C2)CC1 ZINC000072359209 211101436 /nfs/dbraw/zinc/10/14/36/211101436.db2.gz LBUHBBZFLJOZAO-SFHVURJKSA-N 0 3 398.938 3.845 40 0 GHABHN NC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccnc3ccccc23)C1 ZINC000072352553 211097842 /nfs/dbraw/zinc/09/78/42/211097842.db2.gz IZYLCPYCVLQAKU-OAHLLOKOSA-N 0 3 388.496 3.933 40 0 GHABHN O=C(NCCO)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC000072352382 211097628 /nfs/dbraw/zinc/09/76/28/211097628.db2.gz RWVOSAXBNXEMHH-MRXNPFEDSA-N 0 3 398.503 3.752 40 0 GHABHN CN1CCC(C(=O)N2CCC(c3cccc(Cc4ccccc4)n3)CC2)CC1 ZINC000072350392 211097265 /nfs/dbraw/zinc/09/72/65/211097265.db2.gz CPUYRIUGWRJGPF-UHFFFAOYSA-N 0 3 377.532 3.720 40 0 GHABHN Cc1nn(C)cc1-c1cc(C(=O)Nc2cccc(CN3CCCC[C@H]3C)c2)n[nH]1 ZINC000019718741 210289601 /nfs/dbraw/zinc/28/96/01/210289601.db2.gz CWNOMJWGWPWXSX-OAHLLOKOSA-N 0 3 392.507 3.745 40 0 GHABHN COc1ccc(CN2CCC(n3nc(C)cc3C)CC2)cc1Cn1ccnc1C ZINC000019656816 210278445 /nfs/dbraw/zinc/27/84/45/210278445.db2.gz NZDRXBMQIMVURP-UHFFFAOYSA-N 0 3 393.535 3.899 40 0 GHABHN Cc1ccc(OC[C@@H](O)CNCc2cc3cc(C)cc(C)c3[nH]c2=O)c(C)c1 ZINC000585284498 570253485 /nfs/dbraw/zinc/25/34/85/570253485.db2.gz LMPMCUAFXOAARZ-FQEVSTJZSA-N 0 3 380.488 3.704 40 0 GHABHN Clc1ccc(COc2ccc(Cl)cc2CNCCN2CCOCC2)cc1 ZINC000023263561 570353353 /nfs/dbraw/zinc/35/33/53/570353353.db2.gz XSZQARMGZYOASU-UHFFFAOYSA-N 0 3 395.330 3.994 40 0 GHABHN Cc1cccc(CN2CCC(C(=O)NCCCN(C)c3ccccc3)CC2)c1 ZINC000219407912 570359278 /nfs/dbraw/zinc/35/92/78/570359278.db2.gz YBOOWFLCBVLXMD-UHFFFAOYSA-N 0 3 379.548 3.850 40 0 GHABHN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000038834476 570585732 /nfs/dbraw/zinc/58/57/32/570585732.db2.gz XCVIROQOAVCCHJ-GOSISDBHSA-N 0 3 384.451 3.853 40 0 GHABHN COc1ccccc1C1(O)CCN(Cc2ccc(-n3ccnc3C)cc2)CC1 ZINC000012116990 570611342 /nfs/dbraw/zinc/61/13/42/570611342.db2.gz BHYQBIJHPKTEHU-UHFFFAOYSA-N 0 3 377.488 3.673 40 0 GHABHN COC(=O)Cn1cc(CN2CCC(O)(c3cccc(C)c3)CC2)c2ccccc21 ZINC000012328207 570643544 /nfs/dbraw/zinc/64/35/44/570643544.db2.gz AKEAVGOWWZGZCD-UHFFFAOYSA-N 0 3 392.499 3.606 40 0 GHABHN Cc1ccccc1C1(O)CCN(C(=O)c2ccccc2CN2CCCC2)CC1 ZINC000012361730 570646251 /nfs/dbraw/zinc/64/62/51/570646251.db2.gz PGEMRXBMKDMZEJ-UHFFFAOYSA-N 0 3 378.516 3.715 40 0 GHABHN CC(=O)N1C[C@H](COCC2CC2)C2(C1)CCN(Cc1ccc(C)s1)CC2 ZINC000585103015 570931752 /nfs/dbraw/zinc/93/17/52/570931752.db2.gz KXKUWWGNCDYQCC-LJQANCHMSA-N 0 3 376.566 3.544 40 0 GHABHN Cc1ccccc1CN1CCOC[C@@]2(CC(=O)N([C@H](C)c3ccccc3)C2)C1 ZINC000585104819 570934174 /nfs/dbraw/zinc/93/41/74/570934174.db2.gz ULILCLOYLJCCFZ-YKSBVNFPSA-N 0 3 378.516 3.807 40 0 GHABHN O=c1c(-c2cccnc2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1 ZINC000020503259 575369852 /nfs/dbraw/zinc/36/98/52/575369852.db2.gz GXYIMLLIDNLZTJ-PKOBYXMFSA-N 0 3 375.447 3.669 40 0 biogenic,in-vitro GHABHN COc1ccc(-c2ncc(CN3CC[C@H]4[C@H]3CCCCCN4C(C)=O)cn2)cc1 ZINC000019712497 856426269 /nfs/dbraw/zinc/42/62/69/856426269.db2.gz DWNDDTVPIZAMGD-YADHBBJMSA-N 0 3 394.519 3.518 40 0 GHABHN Cc1noc(-c2cnc(C)nc2[C@H]2CCCN2C(=O)CN2CCCCCC2)c1C ZINC000019558432 210263516 /nfs/dbraw/zinc/26/35/16/210263516.db2.gz ZPQUVTHRTCOAER-LJQANCHMSA-N 0 3 397.523 3.596 40 0 GHABHN O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccncc3)CC[C@@H]21 ZINC000019405276 210249613 /nfs/dbraw/zinc/24/96/13/210249613.db2.gz WHTIOCPHDIWXOS-ACRUOGEOSA-N 0 3 381.545 3.760 40 0 GHABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1c[nH]c2ccc(F)cc21 ZINC000019374900 210246163 /nfs/dbraw/zinc/24/61/63/210246163.db2.gz QUDNUGSXUNYYOT-SFTDATJTSA-N 0 3 396.462 3.691 40 0 GHABHN COc1ccc(C)cc1C[NH+]1CCC(c2nc(-c3cccnc3)cc(=O)[n-]2)CC1 ZINC000019133368 210227062 /nfs/dbraw/zinc/22/70/62/210227062.db2.gz RVMQFDJWAPOJIW-UHFFFAOYSA-N 0 3 390.487 3.529 40 0 GHABHN CCN1CCN(c2ccc(NCc3cc4ccc(C)c(C)c4[nH]c3=O)cc2)CC1 ZINC000012088338 209908197 /nfs/dbraw/zinc/90/81/97/209908197.db2.gz FVDICNLAECYHBL-UHFFFAOYSA-N 0 3 390.531 3.899 40 0 GHABHN COc1cc(C(=O)Oc2cccc(CN3CCCCC3)c2)cc(OC)c1OC ZINC000001622050 209333897 /nfs/dbraw/zinc/33/38/97/209333897.db2.gz VNBFYOCQSJFSSA-UHFFFAOYSA-N 0 3 385.460 3.918 40 0 GHABHN CCCc1ccc(CN2CC[C@]3(C2)COCc2cnc(NC4CC4)nc23)cc1 ZINC000306136452 212051795 /nfs/dbraw/zinc/05/17/95/212051795.db2.gz PUAWSDIXQLUCEF-QHCPKHFHSA-N 0 3 378.520 3.677 40 0 GHABHN COc1ccc(CN2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cc1 ZINC000306130655 212049798 /nfs/dbraw/zinc/04/97/98/212049798.db2.gz JMHUQNWDQOTQOP-IBGZPJMESA-N 0 3 391.519 3.718 40 0 GHABHN c1nc2n(c1-c1cccnc1)CC1(C2)CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000306130224 212047819 /nfs/dbraw/zinc/04/78/19/212047819.db2.gz IZLKCAXSBUQGEH-UHFFFAOYSA-N 0 3 388.471 3.512 40 0 GHABHN CC(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)CN1CCCCCC1 ZINC000257277974 212016963 /nfs/dbraw/zinc/01/69/63/212016963.db2.gz OAFFBCSYYGXLGE-RJGXRXQPSA-N 0 3 397.563 3.606 40 0 GHABHN Cc1noc(C)c1-c1cc(C2CCN(C(=O)C3(C)CCN(C)CC3)CC2)ccn1 ZINC000257242426 212009300 /nfs/dbraw/zinc/00/93/00/212009300.db2.gz ICKWUXIQTSSDIS-UHFFFAOYSA-N 0 3 396.535 3.791 40 0 GHABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NCCc2ccccc2F)c1 ZINC000257219256 212005107 /nfs/dbraw/zinc/00/51/07/212005107.db2.gz DGDYDLGKWOKZJO-UHFFFAOYSA-N 0 3 377.463 3.922 40 0 GHABHN COc1ccc(CNC(=O)c2ncccc2-c2cccc(CN(C)C)c2)cc1 ZINC000257206813 212003212 /nfs/dbraw/zinc/00/32/12/212003212.db2.gz BEYXYISFZOMVKJ-UHFFFAOYSA-N 0 3 375.472 3.749 40 0 GHABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](CCC)[C@@H]3C2=O)cc1 ZINC000100531058 211389193 /nfs/dbraw/zinc/38/91/93/211389193.db2.gz GQPKHYLBDZZBAC-ACRUOGEOSA-N 0 3 394.471 3.954 40 0 GHABHN O=C(C[C@@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052793 211296245 /nfs/dbraw/zinc/29/62/45/211296245.db2.gz CORUXRWWKZHZSR-LJQANCHMSA-N 0 3 394.515 3.550 40 0 GHABHN Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(CC(=O)N3CCCC3)C2)n1 ZINC000072374841 211106399 /nfs/dbraw/zinc/10/63/99/211106399.db2.gz OXJHQJMDHKCMGA-LJQANCHMSA-N 0 3 393.535 3.639 40 0 GHABHN COc1ccc(CN2CCC([C@@H](NC(C)=O)c3ccccn3)CC2)c(C)c1C ZINC000019577308 210268363 /nfs/dbraw/zinc/26/83/63/210268363.db2.gz CWYVEXGMYWEFRO-HSZRJFAPSA-N 0 3 381.520 3.796 40 0 GHABHN CC1(C)CCC(N2CCOC[C@@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 ZINC000585284130 570249998 /nfs/dbraw/zinc/24/99/98/570249998.db2.gz VBWVZJDOTCOBHU-HXUWFJFHSA-N 0 3 385.907 3.890 40 0 GHABHN C[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000222717458 570422218 /nfs/dbraw/zinc/42/22/18/570422218.db2.gz UWLIPSNJFACVHB-INIZCTEOSA-N 0 3 398.478 3.686 40 0 GHABHN Cc1cc(C)cc(OCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000224106400 570499144 /nfs/dbraw/zinc/49/91/44/570499144.db2.gz BDLPSAYGNNUGME-HXUWFJFHSA-N 0 3 384.495 3.850 40 0 GHABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc(F)c(Cl)c1 ZINC000039964136 570594544 /nfs/dbraw/zinc/59/45/44/570594544.db2.gz GNOSITULCFIROW-QGZVFWFLSA-N 0 3 398.825 3.908 40 0 GHABHN CN1CCC(Oc2ccc(CNC(=S)Nc3c(F)cccc3F)cc2)CC1 ZINC000225772938 570615766 /nfs/dbraw/zinc/61/57/66/570615766.db2.gz TUUKKYGKLPEADS-UHFFFAOYSA-N 0 3 391.487 3.924 40 0 GHABHN CC(=O)N1CCCc2cc([C@@H](O)CN3CC=C(c4ccccc4)CC3)ccc21 ZINC000012291296 570633301 /nfs/dbraw/zinc/63/33/01/570633301.db2.gz TWBVHBJETUHIBZ-DEOSSOPVSA-N 0 3 376.500 3.808 40 0 GHABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000012293069 570633750 /nfs/dbraw/zinc/63/37/50/570633750.db2.gz XYJJCAFVXLVZMO-MRXNPFEDSA-N 0 3 382.479 3.777 40 0 GHABHN Cc1ccccc1CN1CCOC[C@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 ZINC000585104816 570933755 /nfs/dbraw/zinc/93/37/55/570933755.db2.gz ULILCLOYLJCCFZ-GBXCKJPGSA-N 0 3 378.516 3.807 40 0 GHABHN CCOC(=O)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCN(CC2CC2)CC1 ZINC000019530191 210258612 /nfs/dbraw/zinc/25/86/12/210258612.db2.gz YFQABOLDNNXYNL-LJQANCHMSA-N 0 3 388.483 3.764 40 0 GHABHN O=C(C1CCN(Cc2ccccc2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000039767989 230928573 /nfs/dbraw/zinc/92/85/73/230928573.db2.gz RSOBDGHGPRMKRT-UHFFFAOYSA-N 0 3 397.950 3.901 40 0 GHABHN O=C1CC[C@@H](NCc2cnn(C3CCCCC3)c2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019291888 210237028 /nfs/dbraw/zinc/23/70/28/210237028.db2.gz JSINWZUYWISEID-CTNGQTDRSA-N 0 3 388.462 3.776 40 0 GHABHN Cc1cc(C(=O)N(C[C@H]2CCCO2)C2CCN(C)CC2)c2cccc(C)c2n1 ZINC000019236710 210233147 /nfs/dbraw/zinc/23/31/47/210233147.db2.gz QHANOPUWDFPWRQ-LJQANCHMSA-N 0 3 381.520 3.567 40 0 GHABHN Cc1cccc(CN2CCC3(CC2)CN(C)C(=O)c2cnc(C(C)(C)C)nc23)c1 ZINC000306139434 212053816 /nfs/dbraw/zinc/05/38/16/212053816.db2.gz SXAWJZDCXLWSGF-UHFFFAOYSA-N 0 3 392.547 3.702 40 0 GHABHN COCCn1ccnc1[C@H]1CN(Cc2ccc(OC)cc2)Cc2ccccc21 ZINC000306125258 212044029 /nfs/dbraw/zinc/04/40/29/212044029.db2.gz CKQWNXZCUFSWJO-QFIPXVFZSA-N 0 3 377.488 3.686 40 0 GHABHN Cc1ncsc1C(=O)N[C@H]1CCCC[C@]12CN(CCC(C)(C)C)CCO2 ZINC000306127657 212046313 /nfs/dbraw/zinc/04/63/13/212046313.db2.gz GEFSAOIXOFACBJ-JXFKEZNVSA-N 0 3 379.570 3.631 40 0 GHABHN CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3ccsc3)CC2)C1 ZINC000306126951 212045734 /nfs/dbraw/zinc/04/57/34/212045734.db2.gz FJUWJGBHQXCHQL-UHFFFAOYSA-N 0 3 397.523 3.582 40 0 GHABHN COCCn1ccnc1[C@@H]1CN(Cc2ccc(OC)cc2)Cc2ccccc21 ZINC000306125257 212045604 /nfs/dbraw/zinc/04/56/04/212045604.db2.gz CKQWNXZCUFSWJO-JOCHJYFZSA-N 0 3 377.488 3.686 40 0 GHABHN CNC(=O)[C@@]1(c2ccccn2)CCCN(Cc2ccccc2OC2CCCC2)C1 ZINC000257322587 212024497 /nfs/dbraw/zinc/02/44/97/212024497.db2.gz WGPIEHICQIFNIF-DEOSSOPVSA-N 0 3 393.531 3.683 40 0 GHABHN Cc1nonc1C(=O)N1CCC[C@@H](c2cc(Nc3ccc(F)cc3)cc(C)n2)C1 ZINC000257321078 212024546 /nfs/dbraw/zinc/02/45/46/212024546.db2.gz VZZUWAAAHQUKAV-OAHLLOKOSA-N 0 3 395.438 3.984 40 0 GHABHN COc1cccc(CNC(=O)c2ncccc2-c2cccc(CN(C)C)c2)c1 ZINC000257288681 212018540 /nfs/dbraw/zinc/01/85/40/212018540.db2.gz PVDPCZGCDHWDSL-UHFFFAOYSA-N 0 3 375.472 3.749 40 0 GHABHN COc1ccc(CCNC(=O)c2ncccc2-c2cccc(CN(C)C)c2)cc1 ZINC000257239952 212009523 /nfs/dbraw/zinc/00/95/23/212009523.db2.gz HRNAHYILELMORZ-UHFFFAOYSA-N 0 3 389.499 3.791 40 0 GHABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1ccc(Cc2ccc(F)cc2)nc1 ZINC000257221227 212005442 /nfs/dbraw/zinc/00/54/42/212005442.db2.gz DOAZPNANGNAOEI-HYVLGVRCSA-N 0 3 393.506 3.899 40 0 GHABHN CC(C)C[C@@H]1N[C@H](C(=O)N2CCOCC2)Cc2cn(CC3CC3)c3cccc1c23 ZINC000049171552 211458411 /nfs/dbraw/zinc/45/84/11/211458411.db2.gz YWHLQOUBSGIMLE-SFTDATJTSA-N 0 3 395.547 3.512 40 0 biogenic,in-vitro GHABHN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccsc1)CC2 ZINC000096061343 211298357 /nfs/dbraw/zinc/29/83/57/211298357.db2.gz PBPOOVSFEOVRHD-HXUWFJFHSA-N 0 3 384.545 3.745 40 0 GHABHN NC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000072358391 211099009 /nfs/dbraw/zinc/09/90/09/211099009.db2.gz KHMFNGYMNOTZDX-IBGZPJMESA-N 0 3 390.462 3.761 40 0 GHABHN NC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC000072352544 211097176 /nfs/dbraw/zinc/09/71/76/211097176.db2.gz SRTFOVMKJFEPIA-INIZCTEOSA-N 0 3 388.496 3.933 40 0 GHABHN O=C1N[C@]2(COC3(C2)CCN(Cc2ccccc2)CC3)Nc2ccc(Cl)cc21 ZINC000072325564 211089724 /nfs/dbraw/zinc/08/97/24/211089724.db2.gz MNRDFDYZSICUPX-JOCHJYFZSA-N 0 3 397.906 3.647 40 0 GHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(C)cc1 ZINC000020798491 210363610 /nfs/dbraw/zinc/36/36/10/210363610.db2.gz OOQCUXZZVPRUHM-IBGZPJMESA-N 0 3 392.455 3.824 40 0 GHABHN CN(C)C(=O)c1ccc([C@H]2CCCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)nc1 ZINC000019705893 210283797 /nfs/dbraw/zinc/28/37/97/210283797.db2.gz YKHBNGGICNCRMZ-IBGZPJMESA-N 0 3 393.531 3.877 40 0 GHABHN CCN(CC)Cc1nc(C2(O)CCN(C3CCC(F)(F)CC3)CC2)cs1 ZINC000225463506 560043425 /nfs/dbraw/zinc/04/34/25/560043425.db2.gz JKAIJXMACUSDIJ-UHFFFAOYSA-N 0 3 387.540 3.846 40 0 biogenic,in-vitro GHABHN COc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c3ccc(-c3cccnc3)c2=O)cc1 ZINC000005396237 560201637 /nfs/dbraw/zinc/20/16/37/560201637.db2.gz HZUIEPHNRLIYSR-AZUAARDMSA-N 0 3 387.483 3.538 40 0 biogenic,in-vitro GHABHN O=c1c(C2CCCCC2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(CO)o2)C1 ZINC000008296320 560208111 /nfs/dbraw/zinc/20/81/11/560208111.db2.gz CHHZYSAKMRQNTM-FUHWJXTLSA-N 0 3 382.504 3.601 40 0 biogenic,in-vitro GHABHN Cc1ccc(C)c2[nH]c(=O)c(CNC[C@@H](O)COc3c(C)cccc3C)cc12 ZINC000585283911 570252318 /nfs/dbraw/zinc/25/23/18/570252318.db2.gz IQLFESUDJUSRGT-LJQANCHMSA-N 0 3 380.488 3.704 40 0 GHABHN O=S(=O)(NCc1ccccc1CN1CCCCC1)c1ccc(Cl)cc1 ZINC000137725443 570484181 /nfs/dbraw/zinc/48/41/81/570484181.db2.gz CIPHZBZHSMQODA-UHFFFAOYSA-N 0 3 378.925 3.804 40 0 GHABHN CCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030939514 570501586 /nfs/dbraw/zinc/50/15/86/570501586.db2.gz BSXSUSHBJOQONP-SFHVURJKSA-N 0 3 397.494 3.816 40 0 GHABHN CCN(CCCNCc1cc(-c2ccccc2)cn2nnnc12)c1ccccc1 ZINC000012132095 570613611 /nfs/dbraw/zinc/61/36/11/570613611.db2.gz VJNKXFMQPOGGGQ-UHFFFAOYSA-N 0 3 386.503 3.798 40 0 GHABHN O=C1C2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C(=O)N1c1ccccc1 ZINC000101996587 570718382 /nfs/dbraw/zinc/71/83/82/570718382.db2.gz CTKZRGNTAQNXDM-OTWHNJEPSA-N 0 3 376.437 3.799 40 0 GHABHN CCCC[C@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000020140901 570942034 /nfs/dbraw/zinc/94/20/34/570942034.db2.gz GLZNTKRMYFXVCL-JOCHJYFZSA-N 0 3 396.583 3.903 40 0 GHABHN CCC(C)(C)n1nnnc1[C@H](c1ccc(C)cc1)N1CCN(C2CCCC2)CC1 ZINC000020139981 570942067 /nfs/dbraw/zinc/94/20/67/570942067.db2.gz KHHRRXCIUMSBBV-NRFANRHFSA-N 0 3 396.583 3.776 40 0 GHABHN Cc1cn2c(ncc(C(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)c2=O)s1 ZINC000019717069 571039015 /nfs/dbraw/zinc/03/90/15/571039015.db2.gz HGKFHXYNRKDHGV-CQSZACIVSA-N 0 3 396.516 3.691 40 0 GHABHN CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(CC[C@H](C)c1ccccc1)C2 ZINC000247954370 880094083 /nfs/dbraw/zinc/09/40/83/880094083.db2.gz RZJOEOAPSTZYRM-HTAPYJJXSA-N 0 3 378.520 3.712 40 0 GHABHN COc1cccc(CN2CCC[C@@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)c1 ZINC000019565100 210265815 /nfs/dbraw/zinc/26/58/15/210265815.db2.gz COAYCCVUFLGWGO-CQSZACIVSA-N 0 3 391.397 3.531 40 0 GHABHN CCCN1CCN(CC2CC2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502932 210255409 /nfs/dbraw/zinc/25/54/09/210255409.db2.gz UUYDAAPNQLAMOB-HSZRJFAPSA-N 0 3 377.532 3.872 40 0 GHABHN Cc1nccn1CCCC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C ZINC000019288101 210238297 /nfs/dbraw/zinc/23/82/97/210238297.db2.gz PXZLJMRWRMKTHK-CQOQZXRMSA-N 0 3 394.563 3.841 40 0 GHABHN Cc1cnn(CCC(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)CN3C)c1 ZINC000019240001 210235491 /nfs/dbraw/zinc/23/54/91/210235491.db2.gz DZMUJYSHVBJARX-XJUOHMSHSA-N 0 3 398.526 3.590 40 0 GHABHN Cc1c2cc(C)ccc2oc1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019220400 210231069 /nfs/dbraw/zinc/23/10/69/210231069.db2.gz LXJHGWZNDAPBDV-LJQANCHMSA-N 0 3 390.487 3.805 40 0 GHABHN Cc1nn([C@@H](C)CC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c(C)c1Cl ZINC000019136442 210229092 /nfs/dbraw/zinc/22/90/92/210229092.db2.gz GGNHOLIDFMZPMA-KSSFIOAISA-N 0 3 376.932 3.832 40 0 GHABHN O=C(CCn1cc(Br)cn1)Nc1ccc(CN2CCCCC2)cc1 ZINC000002739407 212063053 /nfs/dbraw/zinc/06/30/53/212063053.db2.gz AACYGTAYIAJZED-UHFFFAOYSA-N 0 3 391.313 3.660 40 0 GHABHN COc1cccc(Cc2cncc(C(=O)N3CCC[C@@H]4N(C)CCC[C@@]43C)c2)c1 ZINC000257290447 212017534 /nfs/dbraw/zinc/01/75/34/212017534.db2.gz QCZJVPBIESXPOA-UPVQGACJSA-N 0 3 393.531 3.770 40 0 GHABHN Cc1ncsc1-c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N(C)C3)ccn1 ZINC000257231467 212007005 /nfs/dbraw/zinc/00/70/05/212007005.db2.gz GGUKMZMFNMNGHF-CQSHLORDSA-N 0 3 382.533 3.601 40 0 GHABHN COc1ccccc1CC(=O)NC[C@H]1CC[C@H]([C@H](c2ccccn2)N(C)C)CC1 ZINC000100750204 211389967 /nfs/dbraw/zinc/38/99/67/211389967.db2.gz XNPUCJFAWGCFNP-YDIMBITNSA-N 0 3 395.547 3.858 40 0 GHABHN O=S(=O)(c1ccccc1)N1CCC[C@]2(CCCN2CCCc2ccccc2)C1 ZINC000096071291 211298324 /nfs/dbraw/zinc/29/83/24/211298324.db2.gz HJPNLSWHUPFDGQ-HSZRJFAPSA-N 0 3 398.572 3.939 40 0 GHABHN CC(=O)N1CCC(N2CCC(c3nccnc3Oc3cccc(F)c3)CC2)CC1 ZINC000072363008 211103447 /nfs/dbraw/zinc/10/34/47/211103447.db2.gz OATCDIVARJZYOC-UHFFFAOYSA-N 0 3 398.482 3.598 40 0 GHABHN CC(C)c1ccc(OCCc2cc([C@H]3CCN(Cc4ccnn4C)C3)n[nH]2)cc1 ZINC000072371592 211103249 /nfs/dbraw/zinc/10/32/49/211103249.db2.gz WEXMRYIFFWXAJA-IBGZPJMESA-N 0 3 393.535 3.878 40 0 GHABHN CC(C)c1ccc(OCCc2cc([C@H]3CCN(Cc4ccnn4C)C3)[nH]n2)cc1 ZINC000072371592 211103255 /nfs/dbraw/zinc/10/32/55/211103255.db2.gz WEXMRYIFFWXAJA-IBGZPJMESA-N 0 3 393.535 3.878 40 0 GHABHN CC(=O)N1CCC(N2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)CC1 ZINC000072358190 211099420 /nfs/dbraw/zinc/09/94/20/211099420.db2.gz XFEIFFYTTVTGNO-HSZRJFAPSA-N 0 3 381.495 3.959 40 0 GHABHN Cc1occc1-c1cc2nc([C@@H]3CCCN(Cc4ccncc4)C3)cc(N)n2n1 ZINC000019583119 210271029 /nfs/dbraw/zinc/27/10/29/210271029.db2.gz FPLOOQTZMQCXBH-QGZVFWFLSA-N 0 3 388.475 3.655 40 0 GHABHN CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccc(F)cc2)C1 ZINC000585260829 570227956 /nfs/dbraw/zinc/22/79/56/570227956.db2.gz BZIIYOSLEVNLJN-QHCPKHFHSA-N 0 3 393.462 3.662 40 0 GHABHN CC(=O)Nc1ccc(CN2CCC[C@@](O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585271378 570239724 /nfs/dbraw/zinc/23/97/24/570239724.db2.gz GJXRCUMUPXQMFF-QHCPKHFHSA-N 0 3 382.504 3.749 40 0 GHABHN CCOCCOc1ccc(CN2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585271738 570241813 /nfs/dbraw/zinc/24/18/13/570241813.db2.gz GYXDCZJJNAEHSJ-QHCPKHFHSA-N 0 3 385.504 3.508 40 0 GHABHN O=C1C[C@H](NCCc2ccccc2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000004615476 570387908 /nfs/dbraw/zinc/38/79/08/570387908.db2.gz RSHZWDMMMKXUTH-INIZCTEOSA-N 0 3 396.796 3.823 40 0 GHABHN Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000222715883 570422057 /nfs/dbraw/zinc/42/20/57/570422057.db2.gz SHZZOCLVLWUWJJ-SFHVURJKSA-N 0 3 394.515 3.856 40 0 GHABHN CN(Cc1ccc(OCc2ccccn2)cc1)C[C@H](O)COc1ccccc1 ZINC000257321466 570486877 /nfs/dbraw/zinc/48/68/77/570486877.db2.gz WBUQLRQZRBLCBL-NRFANRHFSA-N 0 3 378.472 3.532 40 0 GHABHN O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 ZINC000224828761 570532645 /nfs/dbraw/zinc/53/26/45/570532645.db2.gz RDEGRWVVAAMHDV-UHFFFAOYSA-N 0 3 392.952 3.946 40 0 GHABHN O=C(Cc1cccc(Br)c1)NCCCN1CCc2ccccc2C1 ZINC000225622410 570595018 /nfs/dbraw/zinc/59/50/18/570595018.db2.gz FMHHFCBNPKMQDO-UHFFFAOYSA-N 0 3 387.321 3.556 40 0 GHABHN C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCCN1CCc2ccccc2C1 ZINC000225734218 570610583 /nfs/dbraw/zinc/61/05/83/570610583.db2.gz XZMHLHPYGQVPON-LJQANCHMSA-N 0 3 392.543 3.897 40 0 GHABHN Cc1ccc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccccc3)cc12 ZINC000004231246 570622432 /nfs/dbraw/zinc/62/24/32/570622432.db2.gz ODNMYRHQIJENFJ-UHFFFAOYSA-N 0 3 392.503 3.741 40 0 GHABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(C)c(C)c3)CC1)O2 ZINC000012293509 570633822 /nfs/dbraw/zinc/63/38/22/570633822.db2.gz BDMRJLAITIJBIC-FCHUYYIVSA-N 0 3 397.515 3.696 40 0 GHABHN Cc1cc2c(cc1C)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(F)cc3)CC1)O2 ZINC000012293750 570634123 /nfs/dbraw/zinc/63/41/23/570634123.db2.gz OKEGUWIUESQILP-SFTDATJTSA-N 0 3 385.479 3.827 40 0 GHABHN Fc1ccccc1CN1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 ZINC000012407911 570654962 /nfs/dbraw/zinc/65/49/62/570654962.db2.gz ORPNJMBVNYJSRZ-JKSUJKDBSA-N 0 3 383.393 3.617 40 0 GHABHN CCOc1c(Br)cc(Br)cc1CNC[C@H]1CCCO1 ZINC000008253320 570765897 /nfs/dbraw/zinc/76/58/97/570765897.db2.gz JFPLYDKYYMCKGC-GFCCVEGCSA-N 0 3 393.119 3.879 40 0 GHABHN Cc1cc(C)n(C[C@H](O)CN(Cc2ccco2)Cc2cccc3ncccc23)n1 ZINC000013992005 570868854 /nfs/dbraw/zinc/86/88/54/570868854.db2.gz CCYMSFZFRCDOHI-HXUWFJFHSA-N 0 3 390.487 3.704 40 0 GHABHN COc1ccccc1[C@]1(O)CCC[C@H]2CN(Cc3cnc(C(C)C)nc3)C[C@@H]21 ZINC000019453962 856421129 /nfs/dbraw/zinc/42/11/29/856421129.db2.gz ZMAOSUYZYDLIEB-GREBRCKQSA-N 0 3 381.520 3.728 40 0 GHABHN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCCN(Cc3ccc(C)o3)C1)O2 ZINC000019216596 856421766 /nfs/dbraw/zinc/42/17/66/856421766.db2.gz XBGUJROYZQFNJX-FDDCHVKYSA-N 0 3 398.503 3.618 40 0 GHABHN CN1CCN(C2(CNC(=O)c3ccc(Cl)c(Cl)c3)CCCCC2)CC1 ZINC000198636483 866589539 /nfs/dbraw/zinc/58/95/39/866589539.db2.gz RIVJZGXJJBBWIJ-UHFFFAOYSA-N 0 3 384.351 3.674 40 0 in-vitro GHABHN Cc1c2ccccc2oc1C(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019566167 210266644 /nfs/dbraw/zinc/26/66/44/210266644.db2.gz MQBCIWOIYABFSF-LJQANCHMSA-N 0 3 390.487 3.887 40 0 GHABHN COc1ccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1Br ZINC000019359368 210244543 /nfs/dbraw/zinc/24/45/43/210244543.db2.gz YYBQGKNCXLPPSM-BPQIPLTHSA-N 0 3 391.353 3.788 40 0 GHABHN COc1ccc(C)cc1C[NH+]1CCC(c2nc(-c3ccccn3)cc(=O)[n-]2)CC1 ZINC000019133365 210227304 /nfs/dbraw/zinc/22/73/04/210227304.db2.gz UNIBXAZPKFFADS-UHFFFAOYSA-N 0 3 390.487 3.529 40 0 GHABHN O[C@@H](CN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1 ZINC000012292395 209931461 /nfs/dbraw/zinc/93/14/61/209931461.db2.gz FWPZENMRERMHEC-SFHVURJKSA-N 0 3 383.385 3.862 40 0 GHABHN Cc1cccc(CN2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)n1 ZINC000306143591 212054621 /nfs/dbraw/zinc/05/46/21/212054621.db2.gz YGLGBNVGXBAQHY-FQEVSTJZSA-N 0 3 384.487 3.874 40 0 GHABHN Cc1ccc(CN2Cc3c(nc(C)n3CC3CC3)C3(CCN(C)CC3)C2)s1 ZINC000306138890 212053286 /nfs/dbraw/zinc/05/32/86/212053286.db2.gz SKGPMRBUZHHPDA-UHFFFAOYSA-N 0 3 384.593 3.951 40 0 GHABHN Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12CN(CCC(C)(C)C)CCO2 ZINC000306127659 212047747 /nfs/dbraw/zinc/04/77/47/212047747.db2.gz GEFSAOIXOFACBJ-OXQOHEQNSA-N 0 3 379.570 3.631 40 0 GHABHN COc1cccc(CN2C(=O)CCC[C@@H]3[C@H]2CCN3Cc2cnc(C)s2)c1 ZINC000257336489 212028469 /nfs/dbraw/zinc/02/84/69/212028469.db2.gz YOSCESSFVXSCEH-WOJBJXKFSA-N 0 3 385.533 3.616 40 0 GHABHN CC[C@@H](N)C(=O)N1CC[C@@H]2O[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257307190 212021132 /nfs/dbraw/zinc/02/11/32/212021132.db2.gz SXONADLZTVIWNK-GEFMQMDVSA-N 0 3 392.927 3.543 40 0 GHABHN COc1ccccc1Cc1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C)ccn1 ZINC000257283625 212016141 /nfs/dbraw/zinc/01/61/41/212016141.db2.gz OZCBEGSEZHFFHQ-UPVQGACJSA-N 0 3 393.531 3.770 40 0 GHABHN CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cccc(Cc2ccccc2F)n1 ZINC000257273945 212014638 /nfs/dbraw/zinc/01/46/38/212014638.db2.gz NIXCNNHRKLDKMS-GMAHTHKFSA-N 0 3 381.495 3.900 40 0 GHABHN CCCCN(Cc1ccccc1)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1O ZINC000257244129 212009033 /nfs/dbraw/zinc/00/90/33/212009033.db2.gz IJZCDZBNCPGTEK-VXKWHMMOSA-N 0 3 382.504 3.671 40 0 GHABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1ccnc(Cc3cccc(F)c3)c1)C2 ZINC000257214004 212003328 /nfs/dbraw/zinc/00/33/28/212003328.db2.gz CKBPFWKNEWIJTL-YCSHWKNNSA-N 0 3 393.506 3.899 40 0 GHABHN Cc1ccccc1CN1CC[C@@]2(C1)COCc1cnc(NCc3ccco3)nc12 ZINC000096080360 211300869 /nfs/dbraw/zinc/30/08/69/211300869.db2.gz MYRFXKFUSRBYHS-HSZRJFAPSA-N 0 3 390.487 3.664 40 0 GHABHN CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1CN(Cc1ccsc1)CCC2 ZINC000096056028 211298743 /nfs/dbraw/zinc/29/87/43/211298743.db2.gz NGVRLVPXMHSOIU-FPOVZHCZSA-N 0 3 388.533 3.618 40 0 GHABHN Cc1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@H](N(C)Cc4ccco4)[C@@H]3C2)c1 ZINC000096054572 211298084 /nfs/dbraw/zinc/29/80/84/211298084.db2.gz LMMGCAKKQWYAKJ-WMQCIHAUSA-N 0 3 388.533 3.509 40 0 GHABHN COc1ccc(CN2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)CC2)cc1 ZINC000096047540 211296984 /nfs/dbraw/zinc/29/69/84/211296984.db2.gz JQEVEOCPYBYXCI-HSZRJFAPSA-N 0 3 379.504 3.638 40 0 GHABHN Cc1ccc(CN2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3C)o1 ZINC000096036982 211296096 /nfs/dbraw/zinc/29/60/96/211296096.db2.gz HAOOJEQMNAMCCF-UHFFFAOYSA-N 0 3 376.504 3.888 40 0 GHABHN CC(C)c1ccc(OCCc2cc([C@@H]3CCN(Cc4cnn(C)c4)C3)n[nH]2)cc1 ZINC000072371565 211102038 /nfs/dbraw/zinc/10/20/38/211102038.db2.gz MHXPKQWZGQANCI-HXUWFJFHSA-N 0 3 393.535 3.878 40 0 GHABHN CC(C)c1ccc(OCCc2cc([C@@H]3CCN(Cc4cnn(C)c4)C3)[nH]n2)cc1 ZINC000072371565 211102043 /nfs/dbraw/zinc/10/20/43/211102043.db2.gz MHXPKQWZGQANCI-HXUWFJFHSA-N 0 3 393.535 3.878 40 0 GHABHN CC(=O)N1CCC(N2CCC[C@@H]2c2cccc(Cc3ccc(F)cc3)n2)CC1 ZINC000072358188 211099639 /nfs/dbraw/zinc/09/96/39/211099639.db2.gz WCYFBJSCFZCCCG-HSZRJFAPSA-N 0 3 381.495 3.959 40 0 GHABHN COc1cccc(Cc2cccc([C@H]3CCCN3C3CCN(C(C)=O)CC3)n2)c1 ZINC000072358192 211098602 /nfs/dbraw/zinc/09/86/02/211098602.db2.gz IJNCOYDFXKVQTM-XMMPIXPASA-N 0 3 393.531 3.829 40 0 GHABHN Fc1cccc(-c2ccc(CN3CCC[C@@H](c4nnc5n4CCNC5)C3)cc2)c1 ZINC000019711040 210286240 /nfs/dbraw/zinc/28/62/40/210286240.db2.gz GAYRYCUUGIHFEM-HXUWFJFHSA-N 0 3 391.494 3.567 40 0 GHABHN Cc1nn(C)c2nc([C@@H]3CCCN(Cc4c(C)nc5cc(C)ccn54)C3)ccc12 ZINC000019742496 210291866 /nfs/dbraw/zinc/29/18/66/210291866.db2.gz OGJASZBHSIYPSB-GOSISDBHSA-N 0 3 388.519 3.921 40 0 GHABHN CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CCc1ccncc1 ZINC000019590182 210273937 /nfs/dbraw/zinc/27/39/37/210273937.db2.gz BSOYAYKMIZTGHF-CQOQZXRMSA-N 0 3 377.532 3.883 40 0 GHABHN COc1ccc2[nH]c([C@H]3CCN(Cc4cc(OC)c(OC)c(OC)c4)C3)nc2c1 ZINC000035446800 560079231 /nfs/dbraw/zinc/07/92/31/560079231.db2.gz VXSJUCIDUJPXJW-HNNXBMFYSA-N 0 3 397.475 3.587 40 0 biogenic,in-vitro GHABHN FC(F)(F)c1nc(-c2ccc([C@@H]3CCCN(Cc4cccnc4)C3)nc2)no1 ZINC000585289050 570256988 /nfs/dbraw/zinc/25/69/88/570256988.db2.gz CIIOCLKVIQOWGG-OAHLLOKOSA-N 0 3 389.381 3.925 40 0 GHABHN COc1ccc(OC[C@@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000039772611 570446444 /nfs/dbraw/zinc/44/64/44/570446444.db2.gz UYNDWHMNQCQIOV-LJQANCHMSA-N 0 3 396.531 3.799 40 0 GHABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 ZINC000223282916 570455810 /nfs/dbraw/zinc/45/58/10/570455810.db2.gz PBVQOIQIKOCRSG-RTWAWAEBSA-N 0 3 392.528 3.876 40 0 GHABHN Cn1nccc1-c1cc(C(=O)NC(C)(C)CN2CCCCC2)c2ccccc2n1 ZINC000035316603 570470372 /nfs/dbraw/zinc/47/03/72/570470372.db2.gz RXZQGLOFAGQDRC-UHFFFAOYSA-N 0 3 391.519 3.630 40 0 GHABHN Cc1ccc(C)c(OCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000224040384 570495977 /nfs/dbraw/zinc/49/59/77/570495977.db2.gz SQAUYQIRTZIBKW-HXUWFJFHSA-N 0 3 384.495 3.850 40 0 GHABHN CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000044911437 570642476 /nfs/dbraw/zinc/64/24/76/570642476.db2.gz ZGWCRIWPJZEXTB-GOSISDBHSA-N 0 3 384.451 3.853 40 0 GHABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012329910 570644210 /nfs/dbraw/zinc/64/42/10/570644210.db2.gz ZLQGCNQIYZJAPZ-FCHUYYIVSA-N 0 3 397.515 3.696 40 0 GHABHN O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044938305 570644725 /nfs/dbraw/zinc/64/47/25/570644725.db2.gz SYPYCYLTBNZWNO-SFHVURJKSA-N 0 3 395.478 3.803 40 0 GHABHN COc1ccc(OC)c([C@@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000057137739 570701212 /nfs/dbraw/zinc/70/12/12/570701212.db2.gz JZCIOWFIFGXGEY-QGZVFWFLSA-N 0 3 382.504 3.793 40 0 GHABHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc(Cn2ccnc2)cc1 ZINC000058975720 570736174 /nfs/dbraw/zinc/73/61/74/570736174.db2.gz HVPMEWFESVCWHF-UHFFFAOYSA-N 0 3 388.515 3.847 40 0 GHABHN CNc1cc(CN(C)Cc2cccc3ncccc23)nc([C@H]2CCCCN2)n1 ZINC000019709942 860328431 /nfs/dbraw/zinc/32/84/31/860328431.db2.gz KFNKINDUYUYQBE-HXUWFJFHSA-N 0 3 376.508 3.513 40 0 GHABHN COc1ccccc1[C@]1(O)CCC[C@H]2CN(Cc3cnc(C(C)C)nc3)C[C@H]21 ZINC000248205043 870317794 /nfs/dbraw/zinc/31/77/94/870317794.db2.gz ZMAOSUYZYDLIEB-JXHRLWIKSA-N 0 3 381.520 3.728 40 0 GHABHN COc1ccc(OC)c(CN2C[C@@H](c3ccc(F)cc3)[C@H](c3cc[nH]n3)C2)c1 ZINC000019551701 210261249 /nfs/dbraw/zinc/26/12/49/210261249.db2.gz BHFIKJRCNPZXLS-VQTJNVASSA-N 0 3 381.451 3.949 40 0 GHABHN O=c1cc(C[C@@H](NCc2cccnc2)c2ccc(F)cc2)nc(C2CCC2)[nH]1 ZINC000019339686 210241275 /nfs/dbraw/zinc/24/12/75/210241275.db2.gz IDJAGNMYSXUWBK-HXUWFJFHSA-N 0 3 378.451 3.645 40 0 GHABHN Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NCc2ccc(F)cc2)cc(=O)[nH]1 ZINC000019285165 210234784 /nfs/dbraw/zinc/23/47/84/210234784.db2.gz ZSNOYKJJTYAAEC-HXUWFJFHSA-N 0 3 376.435 3.772 40 0 GHABHN COc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4cccs4)C2)OC3)cc1 ZINC000306144651 212055735 /nfs/dbraw/zinc/05/57/35/212055735.db2.gz ZKZCBJXPOYXTED-OAQYLSRUSA-N 0 3 381.501 3.795 40 0 GHABHN Cc1ccsc1CN1C[C@@H]2[C@@H](C1)N(Cc1ccccc1)C(=O)c1cccn12 ZINC000306125907 212044106 /nfs/dbraw/zinc/04/41/06/212044106.db2.gz DFIISWSQUMNZNS-WOJBJXKFSA-N 0 3 377.513 3.940 40 0 GHABHN CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)NCC3CCC3)N[C@H]2c2cccc(F)c2)n1 ZINC000257306465 212021688 /nfs/dbraw/zinc/02/16/88/212021688.db2.gz SUIXZXIKYGXMKE-GIVPXCGWSA-N 0 3 398.526 3.880 40 0 GHABHN O=C1CO[C@]2(CN1CCc1ccccc1)CCCN(Cc1cccc(F)c1)CC2 ZINC000257277262 212015904 /nfs/dbraw/zinc/01/59/04/212015904.db2.gz NXCNVJYFIVBLKA-XMMPIXPASA-N 0 3 396.506 3.652 40 0 GHABHN CN1CCC(C(=O)N2CCC(C)(c3ncc(Cc4ccc(F)cc4)o3)CC2)CC1 ZINC000257220378 212004866 /nfs/dbraw/zinc/00/48/66/212004866.db2.gz DKPGFJUHZOHVMJ-UHFFFAOYSA-N 0 3 399.510 3.626 40 0 GHABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)COC(C)C)C3)c2)c1 ZINC000257211177 212004277 /nfs/dbraw/zinc/00/42/77/212004277.db2.gz BXTWUPJULDHBOT-QGZVFWFLSA-N 0 3 383.492 3.883 40 0 GHABHN CN(C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(C2CC2)n1 ZINC000328977636 209154551 /nfs/dbraw/zinc/15/45/51/209154551.db2.gz FUHWOVWKJMTDNR-UHFFFAOYSA-N 0 3 399.848 3.587 40 0 GHABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000100917673 211392849 /nfs/dbraw/zinc/39/28/49/211392849.db2.gz MPPRMKQPZPPZQF-HKBOAZHASA-N 0 3 388.398 3.877 40 0 GHABHN CC(C)CNc1nc2c(cc1C(=O)N(C)C)CCN(Cc1ccccc1F)CC2 ZINC000096260513 211326656 /nfs/dbraw/zinc/32/66/56/211326656.db2.gz PUNUTFCBMFCXQC-UHFFFAOYSA-N 0 3 398.526 3.591 40 0 GHABHN Cc1ccc(CN2CC[C@@]3(C2)COCc2cnc(NCc4ccco4)nc23)cc1 ZINC000096244216 211325347 /nfs/dbraw/zinc/32/53/47/211325347.db2.gz APVFIBFGZWYLJB-HSZRJFAPSA-N 0 3 390.487 3.664 40 0 GHABHN Cc1ccc(-c2cnc3n2CCN(C)C32CCN(Cc3ccco3)CC2)cc1 ZINC000096037077 211296991 /nfs/dbraw/zinc/29/69/91/211296991.db2.gz UVKBTHPKZAKLGT-UHFFFAOYSA-N 0 3 376.504 3.888 40 0 GHABHN COc1ccccc1CN1CCC[C@H]([C@H]2CN(C(C)=O)Cc3ccccc3O2)C1 ZINC000072373015 211103013 /nfs/dbraw/zinc/10/30/13/211103013.db2.gz VQOWNOUTBHBUHD-GBXCKJPGSA-N 0 3 394.515 3.717 40 0 GHABHN CCc1nccn1-c1nccnc1C1CCN(Cc2ccc(OC)cc2)CC1 ZINC000072350516 211097320 /nfs/dbraw/zinc/09/73/20/211097320.db2.gz YNKGFOBCUCUZDK-UHFFFAOYSA-N 0 3 377.492 3.613 40 0 GHABHN Fc1ccccc1-c1ccccc1CN1CCC(c2nnc3n2CCNC3)CC1 ZINC000019711270 210285652 /nfs/dbraw/zinc/28/56/52/210285652.db2.gz AAIOHJCTBOQPMI-UHFFFAOYSA-N 0 3 391.494 3.567 40 0 GHABHN COc1ccccc1-c1cn2c(n1)CO[C@@H](CNCc1ccc(F)c(F)c1)C2 ZINC000096269417 560054261 /nfs/dbraw/zinc/05/42/61/560054261.db2.gz VPSXOKVVHPDPQQ-HNNXBMFYSA-N 0 3 385.414 3.526 40 0 biogenic,in-vitro GHABHN Cc1ccc(Cl)c(OCC2(O)CCN(Cc3ccc4[nH]cnc4c3)CC2)c1 ZINC000585270638 570239219 /nfs/dbraw/zinc/23/92/19/570239219.db2.gz NVHDJJGRRMBHPD-UHFFFAOYSA-N 0 3 385.895 3.931 40 0 GHABHN Cc1ccc(Cl)c(OCC2(O)CCN(Cc3ccc4nc[nH]c4c3)CC2)c1 ZINC000585270638 570239223 /nfs/dbraw/zinc/23/92/23/570239223.db2.gz NVHDJJGRRMBHPD-UHFFFAOYSA-N 0 3 385.895 3.931 40 0 GHABHN CC(=O)Nc1ccc(CN2CCC[C@](O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585271370 570239638 /nfs/dbraw/zinc/23/96/38/570239638.db2.gz GJXRCUMUPXQMFF-HSZRJFAPSA-N 0 3 382.504 3.749 40 0 GHABHN Cc1cc(C)c2[nH]c(=O)c(CNC[C@H](O)COc3c(C)cccc3C)cc2c1 ZINC000585283067 570251378 /nfs/dbraw/zinc/25/13/78/570251378.db2.gz BGXPAOGDYIRHBE-FQEVSTJZSA-N 0 3 380.488 3.704 40 0 GHABHN COc1cc(CCN2CCN([C@H](C)c3ccccc3)CC2)cc(OC)c1OC ZINC000022859362 570332002 /nfs/dbraw/zinc/33/20/02/570332002.db2.gz AEEUODCKQZIBMJ-GOSISDBHSA-N 0 3 384.520 3.634 40 0 GHABHN COc1ccc(CCNC(=O)CC2CCN(Cc3ccccc3)CC2)cc1OC ZINC000005496225 570442594 /nfs/dbraw/zinc/44/25/94/570442594.db2.gz QXMYJTPXZGZFKC-UHFFFAOYSA-N 0 3 396.531 3.665 40 0 GHABHN Cc1cccc(OCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1C ZINC000223960517 570491790 /nfs/dbraw/zinc/49/17/90/570491790.db2.gz ASMHAXXXXFZOQR-FQEVSTJZSA-N 0 3 384.495 3.850 40 0 GHABHN O=C(NCCSCc1ccco1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038852077 570588340 /nfs/dbraw/zinc/58/83/40/570588340.db2.gz CBXBUCADOLGWSE-QGZVFWFLSA-N 0 3 376.497 3.680 40 0 GHABHN CCOc1ccccc1NC(=O)CC1C(=O)N(C2CC2)c2nc3ccccc3n21 ZINC000039964123 570594829 /nfs/dbraw/zinc/59/48/29/570594829.db2.gz MMCFDOVKTIHKJY-SFHVURJKSA-N 0 3 390.443 3.514 40 0 GHABHN COc1cc(OC)c(OC)cc1CN1CCC(c2cc3cccnc3[nH]2)CC1 ZINC000012133375 570614103 /nfs/dbraw/zinc/61/41/03/570614103.db2.gz NKNOUSSPMCOXDA-UHFFFAOYSA-N 0 3 381.476 3.968 40 0 GHABHN Cc1[nH]c2cc(C)cc(C)c2c1CC(=O)N(CCN(C)C)Cc1cccnc1 ZINC000012222965 570628476 /nfs/dbraw/zinc/62/84/76/570628476.db2.gz IHQHOZVWIIKJNF-UHFFFAOYSA-N 0 3 378.520 3.621 40 0 GHABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(C)c(C)c3)CC1)C[C@H]2O ZINC000012293500 570633885 /nfs/dbraw/zinc/63/38/85/570633885.db2.gz ODYPCQLMKNRRSJ-FGZHOGPDSA-N 0 3 397.515 3.696 40 0 GHABHN COc1ccc2c(CN3CCC(O)(c4ccccc4OC)CC3)cn(C)c2c1 ZINC000012328837 570643568 /nfs/dbraw/zinc/64/35/68/570643568.db2.gz ONTPOCDLMAGHKC-UHFFFAOYSA-N 0 3 380.488 3.679 40 0 GHABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccccc2-n2cccn2)CC1 ZINC000012328812 570643617 /nfs/dbraw/zinc/64/36/17/570643617.db2.gz FKPGSEIHEQFTRG-UHFFFAOYSA-N 0 3 392.478 3.639 40 0 GHABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2c(c1)CCC2 ZINC000012330151 570644574 /nfs/dbraw/zinc/64/45/74/570644574.db2.gz PLUDDOXJYPWKRH-FCHUYYIVSA-N 0 3 379.500 3.559 40 0 GHABHN O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCCN1CCCCCC1 ZINC000010111333 570805764 /nfs/dbraw/zinc/80/57/64/570805764.db2.gz QUXVRCHVDIRXLA-UHFFFAOYSA-N 0 3 379.353 3.679 40 0 GHABHN COc1ccc(CC(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)N(C)C)CC2)cc1 ZINC000257229030 570891474 /nfs/dbraw/zinc/89/14/74/570891474.db2.gz FWJSYLMVJZVMIJ-SKPFHBQLSA-N 0 3 395.547 3.858 40 0 GHABHN CC(C)c1cc(C(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)N(C)C)CC2)[nH]n1 ZINC000257284230 570902611 /nfs/dbraw/zinc/90/26/11/570902611.db2.gz PBUXOSXRSYECEW-FIKGOQFSSA-N 0 3 383.540 3.767 40 0 GHABHN Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccccc2)nc(NCCN(C)C)n1 ZINC000328957704 571046862 /nfs/dbraw/zinc/04/68/62/571046862.db2.gz ALCJQXNCBWTYON-UHFFFAOYSA-N 0 3 395.938 3.975 40 0 GHABHN COc1ccc([C@H]2C[C@@H]3NC(=O)CCC[C@H]3N2CCOCc2ccccc2)cc1 ZINC000019713956 856428038 /nfs/dbraw/zinc/42/80/38/856428038.db2.gz FZYZDJJISZRYNC-YTFSRNRJSA-N 0 3 394.515 3.696 40 0 GHABHN CNc1cc(CN(C)Cc2ccc(-c3ccccn3)cc2)nc([C@@H]2CCCN2)n1 ZINC000019760053 856428293 /nfs/dbraw/zinc/42/82/93/856428293.db2.gz UTBIWTFHLWZLSE-NRFANRHFSA-N 0 3 388.519 3.637 40 0 GHABHN CCOc1ccc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1OC ZINC000019533861 210258660 /nfs/dbraw/zinc/25/86/60/210258660.db2.gz ZLRUIFLWONTSRR-HXUWFJFHSA-N 0 3 396.535 3.599 40 0 GHABHN COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCCN(Cc3ccc(C)o3)C1)O2 ZINC000019216599 210231102 /nfs/dbraw/zinc/23/11/02/210231102.db2.gz XBGUJROYZQFNJX-MBSDFSHPSA-N 0 3 398.503 3.618 40 0 GHABHN CCCCOc1ccc(C(=O)Nc2cc(N)ccc2N2CCN(CC)CC2)cc1 ZINC000226259979 209186807 /nfs/dbraw/zinc/18/68/07/209186807.db2.gz WCJUPRUJRBWWJL-UHFFFAOYSA-N 0 3 396.535 3.842 40 0 GHABHN COc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccs4)C2)OC3)cc1 ZINC000306144650 212055907 /nfs/dbraw/zinc/05/59/07/212055907.db2.gz ZKZCBJXPOYXTED-NRFANRHFSA-N 0 3 381.501 3.795 40 0 GHABHN COc1ccccc1CN1CC[C@]2(C1)CN(Cc1cccnc1)c1cccnc12 ZINC000306132023 212049385 /nfs/dbraw/zinc/04/93/85/212049385.db2.gz KVVYTEWGGDAHPE-DEOSSOPVSA-N 0 3 386.499 3.649 40 0 GHABHN COCCn1ccnc1[C@H]1CN(Cc2cccc(OC)c2)Cc2ccccc21 ZINC000306125745 212044829 /nfs/dbraw/zinc/04/48/29/212044829.db2.gz DARSXGCQVMKTLR-QFIPXVFZSA-N 0 3 377.488 3.686 40 0 GHABHN COc1ccc(CN2CC[C@]3(C2)Cn2c(-c4cccs4)cnc2CO3)cc1 ZINC000306126437 212044941 /nfs/dbraw/zinc/04/49/41/212044941.db2.gz DVWXTTQKPJHZCK-NRFANRHFSA-N 0 3 381.501 3.795 40 0 GHABHN CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccnnc1 ZINC000257325235 212026609 /nfs/dbraw/zinc/02/66/09/212026609.db2.gz WSALVUGXWNVWQT-CFKFVRPNSA-N 0 3 390.531 3.565 40 0 GHABHN O=C1N(Cc2ccc(F)cc2)CC=CCC12CCN(Cc1ccccn1)CC2 ZINC000257314233 212023773 /nfs/dbraw/zinc/02/37/73/212023773.db2.gz UVYMUROVHPAWCF-UHFFFAOYSA-N 0 3 379.479 3.792 40 0 GHABHN Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCCN(C)C)CCOCC3)c2)c1 ZINC000257292299 212018825 /nfs/dbraw/zinc/01/88/25/212018825.db2.gz QKWFZNYHYJHWQK-UHFFFAOYSA-N 0 3 394.559 3.988 40 0 GHABHN Cc1noc(C)c1-c1ccc([C@@H]2CCCN2C(=O)C2(C)CCN(C)CC2)nc1 ZINC000257277698 212016383 /nfs/dbraw/zinc/01/63/83/212016383.db2.gz NZAZQGROKLPRFA-IBGZPJMESA-N 0 3 382.508 3.749 40 0 GHABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 ZINC000223289297 211827701 /nfs/dbraw/zinc/82/77/01/211827701.db2.gz FMBLUBSTGDJFPA-LEWJYISDSA-N 0 3 397.592 3.922 40 0 GHABHN COc1ccc(-c2cnc3n2CCN(C)C32CCN(Cc3ccco3)CC2)cc1 ZINC000096037070 211295739 /nfs/dbraw/zinc/29/57/39/211295739.db2.gz GDZNDBWYEZFRIM-UHFFFAOYSA-N 0 3 392.503 3.588 40 0 GHABHN NC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccc3ccccc3n2)C1 ZINC000072361006 211100075 /nfs/dbraw/zinc/10/00/75/211100075.db2.gz OVHIICIHPITGSA-HNNXBMFYSA-N 0 3 388.496 3.933 40 0 GHABHN CC(C)(CN1CCCCC1)NC(=O)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000019715333 210285185 /nfs/dbraw/zinc/28/51/85/210285185.db2.gz HNNHORRRNKWNSF-UHFFFAOYSA-N 0 3 391.466 3.539 40 0 GHABHN Fc1ccccc1-c1ccccc1CN1CCC[C@@H](c2nnc3n2CCNC3)C1 ZINC000019710974 210287009 /nfs/dbraw/zinc/28/70/09/210287009.db2.gz JLGDMVAUPJTTCX-GOSISDBHSA-N 0 3 391.494 3.567 40 0 GHABHN CCOCCOc1ccc(CN(C)C[C@H](O)COc2ccc(C)cc2C)cc1 ZINC000585269795 570238943 /nfs/dbraw/zinc/23/89/43/570238943.db2.gz JXWNYXGEKSSCKM-NRFANRHFSA-N 0 3 387.520 3.590 40 0 GHABHN Cc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)c2c1 ZINC000021123131 570291425 /nfs/dbraw/zinc/29/14/25/570291425.db2.gz LQZPQELOMSFSDW-LJQANCHMSA-N 0 3 381.863 3.594 40 0 GHABHN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCCc3ccccc3)o2)c1 ZINC000022108507 570325664 /nfs/dbraw/zinc/32/56/64/570325664.db2.gz OBIKZOKZKALTBM-UHFFFAOYSA-N 0 3 393.439 3.852 40 0 GHABHN CC(=O)c1ccc(-n2cccc2CN(CCN(C)C)Cc2ccccn2)cc1 ZINC000022913990 570334812 /nfs/dbraw/zinc/33/48/12/570334812.db2.gz GUPJEGHSYPVKBJ-UHFFFAOYSA-N 0 3 376.504 3.639 40 0 GHABHN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000027633028 570437694 /nfs/dbraw/zinc/43/76/94/570437694.db2.gz UCSZPYGKDXMROZ-UHFFFAOYSA-N 0 3 379.504 3.761 40 0 GHABHN Cn1c(=O)sc2cc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)ccc21 ZINC000225056112 570545763 /nfs/dbraw/zinc/54/57/63/570545763.db2.gz ZRRZQDBOMWTYFY-UHFFFAOYSA-N 0 3 399.491 3.590 40 0 GHABHN Cn1c(=O)sc2cc(NC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)ccc21 ZINC000225064957 570546132 /nfs/dbraw/zinc/54/61/32/570546132.db2.gz FJPZEUNGJPKSEI-HNNXBMFYSA-N 0 3 399.491 3.590 40 0 GHABHN CC[C@H]1CCCC[N@@H+]1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000010544219 570571766 /nfs/dbraw/zinc/57/17/66/570571766.db2.gz VMIBWXNUBREBGJ-AWEZNQCLSA-N 0 3 379.353 3.926 40 0 GHABHN CC[C@H]1CCCC[N@H+]1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000010544219 570571768 /nfs/dbraw/zinc/57/17/68/570571768.db2.gz VMIBWXNUBREBGJ-AWEZNQCLSA-N 0 3 379.353 3.926 40 0 GHABHN COc1ccccc1CN(CCN(C)C)C(=O)Cc1c(C)[nH]c2ccc(C)cc21 ZINC000012238260 570629438 /nfs/dbraw/zinc/62/94/38/570629438.db2.gz TVILTQQKOHVDCU-UHFFFAOYSA-N 0 3 393.531 3.926 40 0 GHABHN Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012293443 570633688 /nfs/dbraw/zinc/63/36/88/570633688.db2.gz PXLLNBNSXKKVJZ-VXKWHMMOSA-N 0 3 381.516 3.996 40 0 GHABHN Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012293444 570633716 /nfs/dbraw/zinc/63/37/16/570633716.db2.gz PXLLNBNSXKKVJZ-FCHUYYIVSA-N 0 3 381.516 3.996 40 0 GHABHN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(C)c(C)c3)CC1)O2 ZINC000012293549 570633721 /nfs/dbraw/zinc/63/37/21/570633721.db2.gz HFIBPYNGULSOGC-FCHUYYIVSA-N 0 3 381.516 3.996 40 0 GHABHN Cc1ccccc1OC[C@@H](C)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000044852591 570636212 /nfs/dbraw/zinc/63/62/12/570636212.db2.gz JULNHOGUGNQMSV-GOSISDBHSA-N 0 3 384.495 3.930 40 0 GHABHN O=C(CNCCc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000015935906 570909307 /nfs/dbraw/zinc/90/93/07/570909307.db2.gz NDGFAGDJRHNKJL-UHFFFAOYSA-N 0 3 399.922 3.737 40 0 GHABHN COc1cc(CN2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@H]3C2)ccc1O ZINC000019569218 570927935 /nfs/dbraw/zinc/92/79/35/570927935.db2.gz QLSDPSXDBKELMS-WCAVRKLYSA-N 0 3 383.488 3.529 40 0 GHABHN CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CCN(Cc1ccc(C)s1)CC2 ZINC000585103012 570931668 /nfs/dbraw/zinc/93/16/68/570931668.db2.gz KXKUWWGNCDYQCC-IBGZPJMESA-N 0 3 376.566 3.544 40 0 GHABHN CCCc1ncc(CN2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@@H]3C2)cn1 ZINC000248195404 870313580 /nfs/dbraw/zinc/31/35/80/870313580.db2.gz OXYYHSFARQYGBZ-JXHRLWIKSA-N 0 3 381.520 3.557 40 0 GHABHN CCOCc1cc(CN2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)ccc1OC ZINC000019531193 210258814 /nfs/dbraw/zinc/25/88/14/210258814.db2.gz JIXVYRVGYVHUOQ-LEEZEASISA-N 0 3 396.531 3.665 40 0 GHABHN CCn1cc([C@@H](NC(=O)[C@H](N)CC(C)C)c2ccc(F)cc2)c2ccncc21 ZINC000019524811 210256672 /nfs/dbraw/zinc/25/66/72/210256672.db2.gz APMNGZJCEGBCIP-CTNGQTDRSA-N 0 3 382.483 3.774 40 0 GHABHN O=S(=O)(c1ccc(Cl)cc1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000408605845 231077844 /nfs/dbraw/zinc/07/78/44/231077844.db2.gz GXLWMQOETRTSMD-UHFFFAOYSA-N 0 3 390.936 3.551 40 0 GHABHN O=C1N[C@@]2(COC3(C2)CCN(Cc2ccc(Cl)cc2)CC3)Nc2ccccc21 ZINC000019374621 210247176 /nfs/dbraw/zinc/24/71/76/210247176.db2.gz XEMDNJYTPCRCCG-QFIPXVFZSA-N 0 3 397.906 3.647 40 0 GHABHN O=c1cc(C[C@@H](NCc2ccncc2)c2ccc(F)cc2)nc(C2CCC2)[nH]1 ZINC000019332477 210242435 /nfs/dbraw/zinc/24/24/35/210242435.db2.gz RIEQZGPFWQZDAJ-HXUWFJFHSA-N 0 3 378.451 3.645 40 0 GHABHN O=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1)[C@H]1CCCO1 ZINC000019332825 210242208 /nfs/dbraw/zinc/24/22/08/210242208.db2.gz JWAKBCGJSVFDGY-LJQANCHMSA-N 0 3 376.928 3.521 40 0 GHABHN COc1ccc(CN2CC[C@@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)cc1 ZINC000306142230 212054552 /nfs/dbraw/zinc/05/45/52/212054552.db2.gz WUDZTUKKSFDMMR-HSZRJFAPSA-N 0 3 393.462 3.873 40 0 GHABHN COc1ccc(CN2CC[C@]3(C2)CN(Cc2ccccn2)c2cccnc23)cc1 ZINC000306124717 212044776 /nfs/dbraw/zinc/04/47/76/212044776.db2.gz BXODMCHKGILMOF-DEOSSOPVSA-N 0 3 386.499 3.649 40 0 GHABHN CCN(CC)C(=O)CN1CCC(c2cc(Nc3ccc(F)cn3)cc(C)n2)CC1 ZINC000257309348 212022844 /nfs/dbraw/zinc/02/28/44/212022844.db2.gz UAPJEOKGPKZEEP-UHFFFAOYSA-N 0 3 399.514 3.716 40 0 GHABHN Cc1c[nH]c(-c2cc(C)nc(CC3CCN(Cc4scnc4C)CC3)n2)n1 ZINC000257311836 212022098 /nfs/dbraw/zinc/02/20/98/212022098.db2.gz ULEVETHQYDBNSE-UHFFFAOYSA-N 0 3 382.537 3.703 40 0 GHABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4cnccn4)C3)c2)c1 ZINC000257250282 212010663 /nfs/dbraw/zinc/01/06/63/212010663.db2.gz JLXFJXMUXRQHEL-MRXNPFEDSA-N 0 3 389.459 3.562 40 0 GHABHN CC(C)N1CCC(c2cncc(N3C(=O)OC[C@H]3Cc3ccccc3)n2)CC1 ZINC000257211359 212003401 /nfs/dbraw/zinc/00/34/01/212003401.db2.gz BYPBBSIKQOTTIH-LJQANCHMSA-N 0 3 380.492 3.632 40 0 GHABHN CN1[C@@H]2CCCC[C@@H]3N(C(=O)c4cncnc4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257200671 212002124 /nfs/dbraw/zinc/00/21/24/212002124.db2.gz AEKOYVMIBCTQRN-QMDPOKHVSA-N 0 3 390.531 3.565 40 0 GHABHN CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(Cc1ccc(C)s1)CCC2 ZINC000096056044 211298586 /nfs/dbraw/zinc/29/85/86/211298586.db2.gz YLNLDOMBXRJIQZ-AVRDEDQJSA-N 0 3 399.560 3.733 40 0 GHABHN Cc1noc(C)c1CN1CCC2(C[C@H](CC(=O)NC3CC3)c3ccccc32)CC1 ZINC000096052983 211296891 /nfs/dbraw/zinc/29/68/91/211296891.db2.gz ZUTNPKCCPRESHA-SFHVURJKSA-N 0 3 393.531 3.981 40 0 GHABHN CC(=O)N1CCC(N2CCC[C@H]2c2cccc(Cc3cccc(F)c3)n2)CC1 ZINC000072358191 211099187 /nfs/dbraw/zinc/09/91/87/211099187.db2.gz XFEIFFYTTVTGNO-QHCPKHFHSA-N 0 3 381.495 3.959 40 0 GHABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccccc1Cl ZINC000019819046 210300601 /nfs/dbraw/zinc/30/06/01/210300601.db2.gz UZTBNRKDCCRCOE-OAHLLOKOSA-N 0 3 398.846 3.779 40 0 GHABHN Cc1cc(C)n(-c2ccc(C(=O)NCCN3CC[C@@H](c4ccccc4)C3)cc2)n1 ZINC000019656077 210277176 /nfs/dbraw/zinc/27/71/76/210277176.db2.gz WTKUVCKZCKMHDO-JOCHJYFZSA-N 0 3 388.515 3.708 40 0 GHABHN CC(=O)Nc1ccc(CNC[C@H]2Cn3cc(-c4ccc(C)cc4)nc3CO2)cc1 ZINC000096296306 560060295 /nfs/dbraw/zinc/06/02/95/560060295.db2.gz RKQYCLPYADBVPL-NRFANRHFSA-N 0 3 390.487 3.506 40 0 biogenic,in-vitro GHABHN Cc1cnc(Nc2cncc(C3CCN(Cc4ccc(F)cc4)CC3)n2)s1 ZINC000585262641 570230782 /nfs/dbraw/zinc/23/07/82/570230782.db2.gz MQRJGGWXLIBREG-UHFFFAOYSA-N 0 3 383.496 3.926 40 0 GHABHN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1C(C)C ZINC000223263756 570454194 /nfs/dbraw/zinc/45/41/94/570454194.db2.gz QGIFHVCJTHMERA-UXHICEINSA-N 0 3 385.581 3.615 40 0 GHABHN CN(C)CCNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccccc2)n1 ZINC000242939743 570457242 /nfs/dbraw/zinc/45/72/42/570457242.db2.gz HATMDOJFAACEDE-UHFFFAOYSA-N 0 3 377.448 3.589 40 0 GHABHN COc1ccc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2ccc(OC)cc2OC)C3)cc1 ZINC000012238581 570629380 /nfs/dbraw/zinc/62/93/80/570629380.db2.gz IEALMRCOFOJSRK-VXMMSVGHSA-N 0 3 397.515 3.832 40 0 GHABHN Fc1cccc(CN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)c1 ZINC000012407913 570654851 /nfs/dbraw/zinc/65/48/51/570654851.db2.gz FZYIFAZKXHFXRQ-JKSUJKDBSA-N 0 3 383.393 3.617 40 0 GHABHN COc1cc2c(c(Oc3cc4c(cc3OC)CCN(C)[C@H]4C)c1O)[C@H](C)NCC2 ZINC000245241157 570699064 /nfs/dbraw/zinc/69/90/64/570699064.db2.gz YEMKSFIYOHUWLM-KBPBESRZSA-N 0 3 398.503 3.957 40 0 GHABHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000010544113 570792077 /nfs/dbraw/zinc/79/20/77/570792077.db2.gz HOLGDQLYFNAQHI-KBPBESRZSA-N 0 3 393.380 3.781 40 0 GHABHN CCCC[C@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1 ZINC000019502162 570927253 /nfs/dbraw/zinc/92/72/53/570927253.db2.gz HQHPYWFZAPQPGI-LJQANCHMSA-N 0 3 388.585 3.574 40 0 GHABHN COc1ccc2c(c1)C(=O)N[C@]1(CCN([C@@H](C)Cc3ccccc3F)C1)CC2 ZINC000019456887 856421330 /nfs/dbraw/zinc/42/13/30/856421330.db2.gz OVBSVHJFZZWAJS-HJPURHCSSA-N 0 3 382.479 3.586 40 0 GHABHN COc1ccc(CN2CCC([C@H](NC(C)=O)c3ccccn3)CC2)c(C)c1C ZINC000019577310 210267763 /nfs/dbraw/zinc/26/77/63/210267763.db2.gz CWYVEXGMYWEFRO-QHCPKHFHSA-N 0 3 381.520 3.796 40 0 GHABHN COc1cc(C)c(CN2CCC([C@H](NC(C)=O)c3ccccn3)CC2)cc1C ZINC000019567264 210265698 /nfs/dbraw/zinc/26/56/98/210265698.db2.gz ALEWXPPXXSTKKP-QHCPKHFHSA-N 0 3 381.520 3.796 40 0 GHABHN COc1ccc(CN2CCC([C@H](NC(=O)C3CCC3)c3ccccn3)CC2)cc1 ZINC000019554947 210261965 /nfs/dbraw/zinc/26/19/65/210261965.db2.gz FENXDSZYDKATNN-QHCPKHFHSA-N 0 3 393.531 3.960 40 0 GHABHN CCCN1CCC(C[C@H]2CC(c3ccccc3F)=NO2)(C(=O)OCC)CC1 ZINC000019502611 210255316 /nfs/dbraw/zinc/25/53/16/210255316.db2.gz MXVCELVNMGKYEC-MRXNPFEDSA-N 0 3 376.472 3.764 40 0 GHABHN C[C@@H](CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C)n1cccn1 ZINC000019455341 210250239 /nfs/dbraw/zinc/25/02/39/210250239.db2.gz AQUOZXHNLLMIJK-JDLLUZBXSA-N 0 3 398.526 3.842 40 0 GHABHN COc1ccc(C2(NCc3cn(CC(=O)NC(C)C)c4ccccc34)CC2)cc1 ZINC000019449939 210248536 /nfs/dbraw/zinc/24/85/36/210248536.db2.gz BALGHFOHLPYRSO-UHFFFAOYSA-N 0 3 391.515 3.953 40 0 GHABHN Cn1c(CCNCc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)nc2ccccc21 ZINC000019289923 210237771 /nfs/dbraw/zinc/23/77/71/210237771.db2.gz DNVVZRZFDSZDBA-UHFFFAOYSA-N 0 3 392.890 3.914 40 0 GHABHN COc1ccc([C@H]2CN(C)[C@@H]3CCCN(C(=O)Cc4cccc(C)c4)[C@@H]32)cc1 ZINC000019234775 210233689 /nfs/dbraw/zinc/23/36/89/210233689.db2.gz PFSRJVKZDMAKFB-CQOQZXRMSA-N 0 3 378.516 3.635 40 0 GHABHN O=C(CCCN1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O)c1ccccc1 ZINC000001640722 209335527 /nfs/dbraw/zinc/33/55/27/209335527.db2.gz VWYWMPRTQFQUFD-UHFFFAOYSA-N 0 3 392.455 3.668 40 0 GHABHN COc1cccc(CN2CC[C@@]3(C2)CN(Cc2ccccn2)c2cccnc23)c1 ZINC000306124657 212043923 /nfs/dbraw/zinc/04/39/23/212043923.db2.gz BVUYVUDNYWEKTJ-XMMPIXPASA-N 0 3 386.499 3.649 40 0 GHABHN CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ccnc(Cc2ccccc2F)c1 ZINC000257301990 212019281 /nfs/dbraw/zinc/01/92/81/212019281.db2.gz SAXGLCLJMDLGQA-GMAHTHKFSA-N 0 3 381.495 3.900 40 0 GHABHN CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ccc(Cc2ccccc2F)nc1 ZINC000257244379 212010488 /nfs/dbraw/zinc/01/04/88/212010488.db2.gz ILAMEIQPGRYSFJ-GMAHTHKFSA-N 0 3 381.495 3.900 40 0 GHABHN CN(Cc1ccccc1)[C@H]1COC2(C1)CCN(C(=O)Cc1ccsc1)CC2 ZINC000096221020 211320007 /nfs/dbraw/zinc/32/00/07/211320007.db2.gz APLSRFZLSGFFNH-HXUWFJFHSA-N 0 3 384.545 3.573 40 0 GHABHN Cc1ccc(CN2CCC[C@@]3(CCN(C(=O)c4ccc(N(C)C)cc4)C3)C2)o1 ZINC000096215934 211319603 /nfs/dbraw/zinc/31/96/03/211319603.db2.gz YGJKVHDYJPEVRZ-HSZRJFAPSA-N 0 3 381.520 3.782 40 0 GHABHN CN(Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(=O)Cc1ccsc1)CC2 ZINC000096221022 211319420 /nfs/dbraw/zinc/31/94/20/211319420.db2.gz APLSRFZLSGFFNH-FQEVSTJZSA-N 0 3 384.545 3.573 40 0 GHABHN CC(=O)N1CCC(N2CC[C@H](c3nc(C)cc(Oc4ccc(F)cc4)n3)C2)CC1 ZINC000072384360 211107113 /nfs/dbraw/zinc/10/71/13/211107113.db2.gz YQIXQYHVARTHAI-KRWDZBQOSA-N 0 3 398.482 3.517 40 0 GHABHN CCCc1ncc(CN2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@@H]3C2)cn1 ZINC000072340984 211093798 /nfs/dbraw/zinc/09/37/98/211093798.db2.gz OXYYHSFARQYGBZ-NOXFTYBFSA-N 0 3 381.520 3.557 40 0 GHABHN CCc1nccn1-c1nccnc1[C@@H]1CCCN(Cc2ccc(OC)cc2)C1 ZINC000072350517 211097126 /nfs/dbraw/zinc/09/71/26/211097126.db2.gz PKZGKKGTNAWVIF-GOSISDBHSA-N 0 3 377.492 3.613 40 0 GHABHN COc1cccc(CN2CCCC[C@H]3CN(C(=O)Cc4ccccc4)C[C@H]32)c1 ZINC000072330656 211092252 /nfs/dbraw/zinc/09/22/52/211092252.db2.gz UAYBUYXAADPAHP-JTHBVZDNSA-N 0 3 378.516 3.751 40 0 GHABHN CSc1ccc([C@H]2NC(=NC3CCCCC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000101983239 533007965 /nfs/dbraw/zinc/00/79/65/533007965.db2.gz MCEIPFGBHYSEBU-SFHVURJKSA-N 0 3 383.521 3.524 40 0 GHABHN CNc1cc(C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)ccn1 ZINC000019592074 210276087 /nfs/dbraw/zinc/27/60/87/210276087.db2.gz NZIAWFGGXONQPT-KCZVDYSFSA-N 0 3 378.520 3.606 40 0 GHABHN Cc1cccc(OC[C@H](O)CNCc2cc3c(C)ccc(C)c3[nH]c2=O)c1C ZINC000585283690 570251976 /nfs/dbraw/zinc/25/19/76/570251976.db2.gz GUQXIHMIVDPPDV-LJQANCHMSA-N 0 3 380.488 3.704 40 0 GHABHN Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)/C=C/CN(C)C)C2)n1 ZINC000585293088 570262303 /nfs/dbraw/zinc/26/23/03/570262303.db2.gz WPUQXVRHHFXALF-QPGLYAHGSA-N 0 3 393.535 3.661 40 0 GHABHN Cc1ccc2cc(CNC[C@@H](O)COc3ccc(Cl)c(C)c3)c(=O)[nH]c2c1 ZINC000585292866 570262852 /nfs/dbraw/zinc/26/28/52/570262852.db2.gz PEYXTSRYEISYKB-QGZVFWFLSA-N 0 3 386.879 3.740 40 0 GHABHN CCN(CC)C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)[C@H](COC)OC ZINC000004792382 570405985 /nfs/dbraw/zinc/40/59/85/570405985.db2.gz SWYKAZJQKQLLEF-VXKWHMMOSA-N 0 3 399.531 3.734 40 0 GHABHN Cc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)cc1Cl ZINC000025224483 570413599 /nfs/dbraw/zinc/41/35/99/570413599.db2.gz GJBLOHPHZRKQIT-IBGZPJMESA-N 0 3 381.863 3.594 40 0 GHABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cc(C)cc(C)c3)cc2)CC1 ZINC000006517665 570482357 /nfs/dbraw/zinc/48/23/57/570482357.db2.gz PTOBLMLJQRYCFH-UHFFFAOYSA-N 0 3 396.560 3.572 40 0 GHABHN COc1ccc(CCC(=O)NCc2ccccc2CN2CCCCC2)cc1OC ZINC000030551841 570491414 /nfs/dbraw/zinc/49/14/14/570491414.db2.gz PPROKFKXHPEYEI-UHFFFAOYSA-N 0 3 396.531 3.939 40 0 GHABHN CCOCc1cc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)ccc1OC ZINC000012135141 570614200 /nfs/dbraw/zinc/61/42/00/570614200.db2.gz UESVCGQZUGZTDR-SVGJNIJCSA-N 0 3 396.531 3.746 40 0 GHABHN COc1ccc(CN2CC[C@](O)(c3ccccc3)C2)cc1Cc1c(C)n[nH]c1C ZINC000012241364 570629905 /nfs/dbraw/zinc/62/99/05/570629905.db2.gz DIZASICCQHHYKH-XMMPIXPASA-N 0 3 391.515 3.719 40 0 GHABHN O[C@H](CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 ZINC000012292388 570633441 /nfs/dbraw/zinc/63/34/41/570633441.db2.gz CRMSHVIQUFDNBL-GOSISDBHSA-N 0 3 383.385 3.862 40 0 GHABHN COc1ccc(CCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044907048 570641608 /nfs/dbraw/zinc/64/16/08/570641608.db2.gz RMCSYEBZAPRLRB-FQEVSTJZSA-N 0 3 384.495 3.795 40 0 GHABHN O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044938309 570644863 /nfs/dbraw/zinc/64/48/63/570644863.db2.gz SYPYCYLTBNZWNO-GOSISDBHSA-N 0 3 395.478 3.803 40 0 GHABHN CCn1ncc(-c2cc(C(F)F)nc(N[C@@H](C)CN3CCCCC3)n2)c1C ZINC000036613722 570942978 /nfs/dbraw/zinc/94/29/78/570942978.db2.gz XIGDUSVNHGZGDK-ZDUSSCGKSA-N 0 3 378.471 3.892 40 0 GHABHN Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(c2cc(=O)[n-]c(N3CCCC3)n2)CC1 ZINC000019577449 210267740 /nfs/dbraw/zinc/26/77/40/210267740.db2.gz DRRYLWVDMGFINA-UHFFFAOYSA-N 0 3 398.555 3.556 40 0 GHABHN CCOc1ccc(CN2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)cc1OC ZINC000019533926 210258498 /nfs/dbraw/zinc/25/84/98/210258498.db2.gz AEKSUWYPJIFIKF-YYDVJCTNSA-N 0 3 382.504 3.527 40 0 GHABHN CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C3CCN(CC)CC3)cc2n1 ZINC000019522325 210257236 /nfs/dbraw/zinc/25/72/36/210257236.db2.gz PYAUCOOZRYPAFA-QGZVFWFLSA-N 0 3 395.473 3.932 40 0 GHABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1c[nH]c2ccc(F)cc21 ZINC000019374899 210245992 /nfs/dbraw/zinc/24/59/92/210245992.db2.gz QUDNUGSXUNYYOT-NHCUHLMSSA-N 0 3 396.462 3.691 40 0 GHABHN O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019369499 210243916 /nfs/dbraw/zinc/24/39/16/210243916.db2.gz YTPBYBOXURFVCX-JOCHJYFZSA-N 0 3 398.510 3.618 40 0 GHABHN COc1cccc(CN[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)c1 ZINC000019285174 210235699 /nfs/dbraw/zinc/23/56/99/210235699.db2.gz WQUFVJLSOHQKCE-OAQYLSRUSA-N 0 3 388.471 3.642 40 0 GHABHN Cc1ccc(CC(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)cc1 ZINC000019209186 210229006 /nfs/dbraw/zinc/22/90/06/210229006.db2.gz GGNPCLBRXVGBKQ-UHFFFAOYSA-N 0 3 378.516 3.860 40 0 GHABHN CN1CN(c2ccccc2)C2(CCN(CCc3cc4ccccc4o3)CC2)C1=O ZINC000001664543 209336054 /nfs/dbraw/zinc/33/60/54/209336054.db2.gz OWLPADOZBKAFJS-UHFFFAOYSA-N 0 3 389.499 3.746 40 0 GHABHN C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@]12Cc1c(c3c(cc1[O-])CNC3=[NH2+])O2 ZINC000252516346 209217292 /nfs/dbraw/zinc/21/72/92/209217292.db2.gz SDIGNZADDDFEPI-UJOQUQSGSA-N 0 3 384.520 3.728 40 0 biogenic,in-vitro GHABHN Cc1ccsc1CN1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccc1 ZINC000306125906 212045482 /nfs/dbraw/zinc/04/54/82/212045482.db2.gz DFIISWSQUMNZNS-VQTJNVASSA-N 0 3 377.513 3.940 40 0 GHABHN COc1ccccc1-c1cnc2n1C[C@]1(CCN(Cc3scnc3C)C1)C2 ZINC000306124388 212044769 /nfs/dbraw/zinc/04/47/69/212044769.db2.gz BOFBTERMWXMKJC-OAQYLSRUSA-N 0 3 380.517 3.772 40 0 GHABHN Cc1nc2ccc(Cl)cn2c1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)C2 ZINC000257294252 212018383 /nfs/dbraw/zinc/01/83/83/212018383.db2.gz QTFQGGOFHZZLEX-GRXQJBFDSA-N 0 3 386.927 3.774 40 0 GHABHN COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4cnccn4)C3)c2)c1 ZINC000257250281 212011241 /nfs/dbraw/zinc/01/12/41/212011241.db2.gz JLXFJXMUXRQHEL-INIZCTEOSA-N 0 3 389.459 3.562 40 0 GHABHN CN(C)CCNc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccccc2)n1 ZINC000329014389 209155886 /nfs/dbraw/zinc/15/58/86/209155886.db2.gz MVUKJIYLGCSBTJ-UHFFFAOYSA-N 0 3 399.445 3.884 40 0 GHABHN CC(=O)N1CCC(N2CCC(c3nccnc3Oc3ccc(C)cc3)CC2)CC1 ZINC000072363020 211102604 /nfs/dbraw/zinc/10/26/04/211102604.db2.gz XXENRPGSYOQNJY-UHFFFAOYSA-N 0 3 394.519 3.768 40 0 GHABHN CC(=O)N1CCC(N2CCC(c3cncc(Oc4cccc(F)c4)n3)CC2)CC1 ZINC000072363026 211101927 /nfs/dbraw/zinc/10/19/27/211101927.db2.gz JUUNCBPWCAZSPU-UHFFFAOYSA-N 0 3 398.482 3.598 40 0 GHABHN O=C(CN1CCC[C@@H](Cn2ccnc2)C1)Nc1ccc(N2CCCCCC2)cc1 ZINC000072399258 211112283 /nfs/dbraw/zinc/11/22/83/211112283.db2.gz NERJRFQIPFBTFN-HXUWFJFHSA-N 0 3 395.551 3.614 40 0 GHABHN Cc1cc(C[C@@H]2COC[C@H]2N(CCc2ccccc2)Cc2ccncc2)on1 ZINC000072395061 211109993 /nfs/dbraw/zinc/10/99/93/211109993.db2.gz PYBIBQOARZFCDC-FYYLOGMGSA-N 0 3 377.488 3.680 40 0 GHABHN CCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1c2cccnc2[nH]c1C1CC1 ZINC000072395509 211110018 /nfs/dbraw/zinc/11/00/18/211110018.db2.gz PVWUANVDHUDVQO-WOJBJXKFSA-N 0 3 388.515 3.935 40 0 GHABHN COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)C4CCN(C)CC4)C3)n2)cc1 ZINC000072350385 211097239 /nfs/dbraw/zinc/09/72/39/211097239.db2.gz UVZGSISLJQKLJC-HXUWFJFHSA-N 0 3 393.531 3.805 40 0 GHABHN Cc1oc2c(c1C(=O)N1CCCC[C@@H]1c1ncc3c(n1)CCN(C)C3)CCCC2 ZINC000019581249 210270021 /nfs/dbraw/zinc/27/00/21/210270021.db2.gz MJEGLPCPLOKUGY-LJQANCHMSA-N 0 3 394.519 3.612 40 0 GHABHN OC1(c2cccnc2)CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000012363697 221185636 /nfs/dbraw/zinc/18/56/36/221185636.db2.gz JSWWNQABKAMUNF-UHFFFAOYSA-N 0 3 375.472 3.539 40 0 GHABHN Cc1cccc(CNC[C@H]2COCc3nc4cc(C(F)(F)F)ccc4n32)n1 ZINC000096112697 560060634 /nfs/dbraw/zinc/06/06/34/560060634.db2.gz HHZBWGOLRRDINK-HNNXBMFYSA-N 0 3 376.382 3.620 40 0 biogenic,in-vitro GHABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccccc1F ZINC000005092586 570223020 /nfs/dbraw/zinc/22/30/20/570223020.db2.gz IMEVDSRFMICGCF-HBMCJLEFSA-N 0 3 388.398 3.877 40 0 GHABHN Cc1cc(C)c2[nH]c(=O)c(CNC[C@@H](O)COc3ccc(Cl)cc3)cc2c1 ZINC000585285172 570254171 /nfs/dbraw/zinc/25/41/71/570254171.db2.gz OUXKNILAJWEONG-GOSISDBHSA-N 0 3 386.879 3.740 40 0 GHABHN CCN(CC)CCNCc1cc(Br)cc(Br)c1OC ZINC000022074954 570321387 /nfs/dbraw/zinc/32/13/87/570321387.db2.gz VOZHKOCQYONETA-UHFFFAOYSA-N 0 3 394.151 3.652 40 0 GHABHN COC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1C ZINC000039743013 570447059 /nfs/dbraw/zinc/44/70/59/570447059.db2.gz NTTXCAZUVCXPLW-UHFFFAOYSA-N 0 3 380.488 3.941 40 0 GHABHN COc1cc(NC(=S)NC2CCN(Cc3cccs3)CC2)cc(OC)c1 ZINC000225230089 570558015 /nfs/dbraw/zinc/55/80/15/570558015.db2.gz HDPDTQHTYIOHKP-UHFFFAOYSA-N 0 3 391.562 3.716 40 0 GHABHN COc1ccc(S(=O)(=O)[N-]CCC[NH+]2CCCCCC2)c(Cl)c1Cl ZINC000010111216 570565704 /nfs/dbraw/zinc/56/57/04/570565704.db2.gz IDHLBADSUZLVRU-UHFFFAOYSA-N 0 3 395.352 3.546 40 0 GHABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccccc1Cl ZINC000039964125 570594560 /nfs/dbraw/zinc/59/45/60/570594560.db2.gz KDSVNTNRYQIQLE-KRWDZBQOSA-N 0 3 380.835 3.769 40 0 GHABHN COc1ccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000225772126 570615732 /nfs/dbraw/zinc/61/57/32/570615732.db2.gz ZKRAEXDRVUJUKG-UHFFFAOYSA-N 0 3 385.533 3.655 40 0 GHABHN COc1ccc(-c2n[nH]cc2CN2CCC(O)(c3ccccc3OC)CC2)cc1 ZINC000012147627 570617185 /nfs/dbraw/zinc/61/71/85/570617185.db2.gz YNBAJSXIFWSEKD-UHFFFAOYSA-N 0 3 393.487 3.578 40 0 GHABHN Cc1ccc2cc(CN(CCN(C)C)C(=O)Nc3ccccc3)c(=O)[nH]c2c1C ZINC000004231200 570622445 /nfs/dbraw/zinc/62/24/45/570622445.db2.gz GFUDXHTUQZJVTE-UHFFFAOYSA-N 0 3 392.503 3.741 40 0 GHABHN Cc1cc2occ(CC(=O)Nc3nnc(CCN4CCCC4)s3)c2cc1C ZINC000012203394 570625544 /nfs/dbraw/zinc/62/55/44/570625544.db2.gz MYQKMTQSZSLWPD-UHFFFAOYSA-N 0 3 384.505 3.721 40 0 GHABHN COCCOc1ccc(CN2CCC(O)(c3ccc(C)cc3)CC2)cc1OC ZINC000012293032 570633727 /nfs/dbraw/zinc/63/37/27/570633727.db2.gz RTXLCOKPCONFGK-UHFFFAOYSA-N 0 3 385.504 3.512 40 0 GHABHN CN(CCNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccccc1 ZINC000044916660 570642992 /nfs/dbraw/zinc/64/29/92/570642992.db2.gz NJKBRRYXZNFFGG-LJQANCHMSA-N 0 3 385.939 3.805 40 0 GHABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2c(c1)CCCC2 ZINC000012330241 570644699 /nfs/dbraw/zinc/64/46/99/570644699.db2.gz OXSDXEJQZORRNL-GOTSBHOMSA-N 0 3 393.527 3.950 40 0 GHABHN Fc1cccc(-c2cc3nc4c(c(N[C@@H]5CN6CCC5CC6)n3n2)CCCC4)c1 ZINC000004980758 570655866 /nfs/dbraw/zinc/65/58/66/570655866.db2.gz LXPSYXAUJILCMQ-OAQYLSRUSA-N 0 3 391.494 3.920 40 0 GHABHN Cc1ccccc1CN1CCOC[C@]2(CC(=O)N([C@H](C)c3ccccc3)C2)C1 ZINC000585104817 570933459 /nfs/dbraw/zinc/93/34/59/570933459.db2.gz ULILCLOYLJCCFZ-HYBUGGRVSA-N 0 3 378.516 3.807 40 0 GHABHN COc1ccc([C@H](N)c2n[nH]c(COc3ccc(C(C)(C)C)cc3)n2)cc1OC ZINC000095533895 860614114 /nfs/dbraw/zinc/61/41/14/860614114.db2.gz DCAITSWQYFWDFT-FQEVSTJZSA-N 0 3 396.491 3.747 40 0 GHABHN CCCc1ncc(CN2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@H]3C2)cn1 ZINC000248195405 870313961 /nfs/dbraw/zinc/31/39/61/870313961.db2.gz OXYYHSFARQYGBZ-LEDOBFOHSA-N 0 3 381.520 3.557 40 0 GHABHN CS(=O)(=O)c1ccc(OCCN[C@H]2CCc3cc(F)c(Cl)cc32)cc1 ZINC000527857462 873678717 /nfs/dbraw/zinc/67/87/17/873678717.db2.gz BMPCVVVGYNOUMA-SFHVURJKSA-N 0 3 383.872 3.539 40 0 GHABHN CC(=O)N1CCc2nc([C@@H]3CCCCN3C[C@@H](C)c3ccccc3)ncc2C1 ZINC000247921834 880086900 /nfs/dbraw/zinc/08/69/00/880086900.db2.gz HJSUJDQVXKNDCS-VGSWGCGISA-N 0 3 378.520 3.712 40 0 GHABHN COc1cccc2ccc(CN[C@@H]3CCC(=O)N[C@H]3c3cc(F)cc(F)c3)nc21 ZINC000019568481 210266879 /nfs/dbraw/zinc/26/68/79/210266879.db2.gz ARITXJUDHAHPQF-NQIIRXRSSA-N 0 3 397.425 3.631 40 0 GHABHN CC(C)c1cc(C(=O)N(C)C2CCC3(CC2)CN(C)Cc2ccccc2O3)[nH]n1 ZINC000019451714 210251153 /nfs/dbraw/zinc/25/11/53/210251153.db2.gz FVRABIBNBVFYRL-UHFFFAOYSA-N 0 3 396.535 3.811 40 0 GHABHN C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000018109849 210215091 /nfs/dbraw/zinc/21/50/91/210215091.db2.gz WZJVGJKQEBQZLP-KRWDZBQOSA-N 0 3 380.488 3.935 40 0 GHABHN COc1ccc(CN2CCC3(C[C@@H](CN4CCC(F)(F)CC4)O3)CC2)c(F)c1 ZINC000306127797 212047349 /nfs/dbraw/zinc/04/73/49/212047349.db2.gz GHYPKKJRJKCAQW-SFHVURJKSA-N 0 3 398.469 3.689 40 0 GHABHN COc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccc(F)c4)C2)OC3)c1 ZINC000306130448 212046365 /nfs/dbraw/zinc/04/63/65/212046365.db2.gz JGNWBHNDDDJTJZ-QHCPKHFHSA-N 0 3 393.462 3.873 40 0 GHABHN Cc1ncsc1-c1ccc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C)cn1 ZINC000257297159 212019517 /nfs/dbraw/zinc/01/95/17/212019517.db2.gz RGDICDRSJKSPFM-JWVYWZTKSA-N 0 3 382.533 3.601 40 0 GHABHN CCN(CC)C(=O)Cc1c(C)nc([C@H]2CCN(Cc3cccc(F)c3)C2)nc1C ZINC000257221773 212005500 /nfs/dbraw/zinc/00/55/00/212005500.db2.gz DQLHULWJYLQYQI-IBGZPJMESA-N 0 3 398.526 3.633 40 0 GHABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000101178767 211396189 /nfs/dbraw/zinc/39/61/89/211396189.db2.gz MBEIPAAIJONRMZ-HBMCJLEFSA-N 0 3 388.423 3.893 40 0 GHABHN CN(C)CCNC(=O)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1 ZINC000096154364 211312162 /nfs/dbraw/zinc/31/21/62/211312162.db2.gz RMQWKLFFXYZSSV-UHFFFAOYSA-N 0 3 382.445 3.503 40 0 GHABHN CNC(=O)C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000096053258 211298759 /nfs/dbraw/zinc/29/87/59/211298759.db2.gz WRCMFGOKWCRHOM-SFHVURJKSA-N 0 3 382.479 3.863 40 0 GHABHN COc1cccc(CN2CCC[C@H](c3cc(C(=O)NC4CCCCC4)[nH]n3)C2)c1 ZINC000072371182 211103794 /nfs/dbraw/zinc/10/37/94/211103794.db2.gz OWGHQCOLCQKPJX-SFHVURJKSA-N 0 3 396.535 3.860 40 0 GHABHN COc1ccccc1CN1CCC[C@H]([C@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000072398550 211111716 /nfs/dbraw/zinc/11/17/16/211111716.db2.gz AOBDGEUISKTNJI-UGKGYDQZSA-N 0 3 379.504 3.570 40 0 GHABHN COc1ccc(CN(C)C(=O)c2ccc(CN3CCCCC3)cc2)cc1OC ZINC000022510651 210415506 /nfs/dbraw/zinc/41/55/06/210415506.db2.gz XXYMLJLJGFJYBT-UHFFFAOYSA-N 0 3 382.504 3.962 40 0 GHABHN CNc1cc([C@@H]2CCCN(Cc3ccc(OC)cc3)C2)nc(-c2cccnc2)n1 ZINC000019592203 210275777 /nfs/dbraw/zinc/27/57/77/210275777.db2.gz ZYCFQFQOYUALMS-LJQANCHMSA-N 0 3 389.503 3.969 40 0 GHABHN Cc1cc(CN2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)C[C@@H]32)cc(C)c1O ZINC000019570014 210268530 /nfs/dbraw/zinc/26/85/30/210268530.db2.gz DLMNOYLPQDCXDQ-CTNGQTDRSA-N 0 3 382.479 3.885 40 0 GHABHN COc1ccc(C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)cc1 ZINC000019586736 210272542 /nfs/dbraw/zinc/27/25/42/210272542.db2.gz KSNDVBAOTGQDIP-UHFFFAOYSA-N 0 3 380.488 3.631 40 0 GHABHN Cc1cc(C)c(-n2cccn2)c(CN(Cc2ccc3c(c2)OCO3)C[C@H](C)O)c1 ZINC000012185795 221163897 /nfs/dbraw/zinc/16/38/97/221163897.db2.gz HZLRYUSPDVDQOB-SFHVURJKSA-N 0 3 393.487 3.601 40 0 GHABHN CCOc1cc(C=O)ccc1OCCCCN1CCN(c2ccccc2)CC1 ZINC000217799562 535670762 /nfs/dbraw/zinc/67/07/62/535670762.db2.gz MRPZSZJFFXASTE-UHFFFAOYSA-N 0 3 382.504 3.879 40 0 GHABHN COc1ccc2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@H]1C(Br)=CC=C3C ZINC000253504286 560038403 /nfs/dbraw/zinc/03/84/03/560038403.db2.gz FCXBYZRFHRNZPT-YJLNNSPDSA-N 0 3 376.294 3.754 40 0 biogenic,in-vitro GHABHN CC(=O)Nc1ccc(CN2CCC(O)(COc3ccc(C)cc3C)CC2)cc1 ZINC000585269993 570238581 /nfs/dbraw/zinc/23/85/81/570238581.db2.gz ADUBHIXLZBBRTC-UHFFFAOYSA-N 0 3 382.504 3.668 40 0 GHABHN COc1ccc(OC[C@H](O)CN(C)Cc2c3cc(C)cnc3[nH]c2C2CC2)cc1 ZINC000057773792 570373803 /nfs/dbraw/zinc/37/38/03/570373803.db2.gz PGGQAIYTQMIECZ-QGZVFWFLSA-N 0 3 395.503 3.629 40 0 GHABHN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1C(C)C ZINC000223263868 570454107 /nfs/dbraw/zinc/45/41/07/570454107.db2.gz QGIFHVCJTHMERA-PMACEKPBSA-N 0 3 385.581 3.615 40 0 GHABHN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCc2ccccc2C1 ZINC000223411746 570465004 /nfs/dbraw/zinc/46/50/04/570465004.db2.gz CZRGNVYAVABNNP-IBGZPJMESA-N 0 3 392.543 3.897 40 0 GHABHN COCCNCc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000008469045 570531897 /nfs/dbraw/zinc/53/18/97/570531897.db2.gz XTLIRHMPVNDJRI-UHFFFAOYSA-N 0 3 380.282 3.773 40 0 GHABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1cccc(Cl)c1 ZINC000039964106 570594643 /nfs/dbraw/zinc/59/46/43/570594643.db2.gz OEBJGSYAZKEWQR-QGZVFWFLSA-N 0 3 380.835 3.769 40 0 GHABHN COc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc3c(c2)CCCC3)CC1 ZINC000012292612 570633672 /nfs/dbraw/zinc/63/36/72/570633672.db2.gz KPSSUYSJJISTBK-JOCHJYFZSA-N 0 3 381.516 3.591 40 0 GHABHN COc1ccc2c(CN3CCC[C@@H]([C@@H](NC(C)=O)c4nccs4)C3)c[nH]c2c1 ZINC000012365810 570646696 /nfs/dbraw/zinc/64/66/96/570646696.db2.gz HCLQHOFIPIWWFT-FOIQADDNSA-N 0 3 398.532 3.722 40 0 GHABHN Cc1ccc(Cl)cc1N1C(=O)C[C@@H](NCCc2c[nH]c3ccccc23)C1=O ZINC000008215727 570765386 /nfs/dbraw/zinc/76/53/86/570765386.db2.gz KVLYDVDLJLJUOG-GOSISDBHSA-N 0 3 381.863 3.594 40 0 GHABHN O=C(COc1ccc2ccccc2c1)N1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000169313259 570780624 /nfs/dbraw/zinc/78/06/24/570780624.db2.gz NAZVMRKYJCRHEF-VLCRHTCISA-N 0 3 376.500 3.575 40 0 GHABHN Cc1ccc(C)c(CN2CCOC[C@@]3(CC(=O)N(Cc4ccccc4)C3)C2)c1 ZINC000585103976 570929604 /nfs/dbraw/zinc/92/96/04/570929604.db2.gz HTNOKFGHGKMTGV-DEOSSOPVSA-N 0 3 378.516 3.555 40 0 GHABHN O=C(Nc1ccc([C@H](O)CN2CCCCC2)cc1)c1cn2cc(Cl)ccc2n1 ZINC000019716737 571038599 /nfs/dbraw/zinc/03/85/99/571038599.db2.gz KDELAMYNYQCEQB-LJQANCHMSA-N 0 3 398.894 3.759 40 0 GHABHN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCCN(Cc3ccc(C)o3)C1)O2 ZINC000019216591 856421668 /nfs/dbraw/zinc/42/16/68/856421668.db2.gz XBGUJROYZQFNJX-WZONZLPQSA-N 0 3 398.503 3.618 40 0 GHABHN CN(C)Cc1cc(C2CCN(C(=O)c3cc(C4CCCCC4)no3)CC2)n[nH]1 ZINC000019708927 856425654 /nfs/dbraw/zinc/42/56/54/856425654.db2.gz WRCDFDLDTHZNAS-UHFFFAOYSA-N 0 3 385.512 3.527 40 0 GHABHN CCCN1CCC(C[C@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)OCC)CC1 ZINC000019502599 210255529 /nfs/dbraw/zinc/25/55/29/210255529.db2.gz NFRTUYFFOKHBAR-GOSISDBHSA-N 0 3 376.472 3.764 40 0 GHABHN COc1ccc(CN2CCC[C@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)cc1 ZINC000019496743 210252009 /nfs/dbraw/zinc/25/20/09/210252009.db2.gz OKKZCTHYPYCASA-IBGZPJMESA-N 0 3 397.519 3.935 40 0 GHABHN Cc1ccnn1[C@H](C)C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C ZINC000019238276 210235675 /nfs/dbraw/zinc/23/56/75/210235675.db2.gz GLXPYCVOSLIJCJ-YCZSINBZSA-N 0 3 398.526 3.761 40 0 GHABHN CC(C)(CN1CCCCC1)NC(=O)c1cc(-c2ccncc2)c2cnccc2n1 ZINC000019084919 210226219 /nfs/dbraw/zinc/22/62/19/210226219.db2.gz KIZOBBMSVGMVFA-UHFFFAOYSA-N 0 3 389.503 3.686 40 0 GHABHN COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCN(Cc4cccc(F)c4)C[C@@H]32)cc1 ZINC000019019428 210223040 /nfs/dbraw/zinc/22/30/40/210223040.db2.gz SEPLZUNGSPQUEF-DNVJHFABSA-N 0 3 382.479 3.671 40 0 GHABHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C1=O ZINC000013115719 210050908 /nfs/dbraw/zinc/05/09/08/210050908.db2.gz ISIBQCTYOALSME-BVSLBCMMSA-N 0 3 399.450 3.750 40 0 GHABHN COc1ccc(CN2CC[C@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)cc1 ZINC000306142231 212055104 /nfs/dbraw/zinc/05/51/04/212055104.db2.gz WUDZTUKKSFDMMR-QHCPKHFHSA-N 0 3 393.462 3.873 40 0 GHABHN COc1cccc(CN2Cc3c(nc(C)n3C(C)C)C3(CCN(C)CC3)C2)c1 ZINC000306136653 212051220 /nfs/dbraw/zinc/05/12/20/212051220.db2.gz PZHZZNDHYHOCLZ-UHFFFAOYSA-N 0 3 382.552 3.760 40 0 GHABHN COc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4cccs4)C2)OC3)c1 ZINC000306123969 212045244 /nfs/dbraw/zinc/04/52/44/212045244.db2.gz BBTQWNPHZJZRMI-OAQYLSRUSA-N 0 3 381.501 3.795 40 0 GHABHN Cc1nc([C@H]2CCN(C(C)C)C2)nc2c1CCC(=O)N2CCc1ccccc1F ZINC000257273271 212014559 /nfs/dbraw/zinc/01/45/59/212014559.db2.gz NFXKCDOPWYSNED-SFHVURJKSA-N 0 3 396.510 3.644 40 0 GHABHN CN(C)C(=O)c1sc2nccnc2c1C1CCN(Cc2ccsc2)CC1 ZINC000257224629 212006870 /nfs/dbraw/zinc/00/68/70/212006870.db2.gz FCQDWTHPSHVYCX-UHFFFAOYSA-N 0 3 386.546 3.834 40 0 GHABHN CCOc1ccc(-c2cc(C(=O)N3CCC[C@@H]4N(C)CCC[C@@]43C)[nH]n2)cc1 ZINC000257205323 212003042 /nfs/dbraw/zinc/00/30/42/212003042.db2.gz AYNFKJBHOVOKBF-UNMCSNQZSA-N 0 3 382.508 3.564 40 0 GHABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(F)cc2)CC1 ZINC000100750220 211390652 /nfs/dbraw/zinc/39/06/52/211390652.db2.gz QIHYOIQIBJECQL-SELNLUPBSA-N 0 3 383.511 3.989 40 0 GHABHN COc1cccc(C(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)N(C)C)CC2)c1 ZINC000100750184 211390086 /nfs/dbraw/zinc/39/00/86/211390086.db2.gz LDMWXTFTKNUZFH-KGVIQGDOSA-N 0 3 381.520 3.929 40 0 GHABHN CC(=O)N1CCC(N2CCC(c3nccnc3Oc3cccc(C)c3)CC2)CC1 ZINC000072363019 211101816 /nfs/dbraw/zinc/10/18/16/211101816.db2.gz XCAVNBVYJSCJMN-UHFFFAOYSA-N 0 3 394.519 3.768 40 0 GHABHN CN1CCC(C(=O)N2CCC[C@H](c3cccc(-c4cccc(F)c4)n3)C2)CC1 ZINC000072350378 211097530 /nfs/dbraw/zinc/09/75/30/211097530.db2.gz NOXCEPLEJUAXIS-IBGZPJMESA-N 0 3 381.495 3.936 40 0 GHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(C)cc1 ZINC000020798494 210363297 /nfs/dbraw/zinc/36/32/97/210363297.db2.gz OOQCUXZZVPRUHM-LJQANCHMSA-N 0 3 392.455 3.824 40 0 GHABHN Fc1ccccc1-c1ccccc1CN1CCC[C@H](c2nnc3n2CCNC3)C1 ZINC000019710975 210286310 /nfs/dbraw/zinc/28/63/10/210286310.db2.gz JLGDMVAUPJTTCX-SFHVURJKSA-N 0 3 391.494 3.567 40 0 GHABHN Cc1cccn2c(=O)c(C(=O)Nc3cccc(CN4CCCC[C@@H]4C)c3)cnc12 ZINC000019714714 210286808 /nfs/dbraw/zinc/28/68/08/210286808.db2.gz LKHYUMFGEFQBIY-KRWDZBQOSA-N 0 3 390.487 3.630 40 0 GHABHN Cc1nc(C2CCN(C(C)C)CC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000072371166 136169051 /nfs/dbraw/zinc/16/90/51/136169051.db2.gz VGQQZPPGBDUILQ-UHFFFAOYSA-N 0 3 396.510 3.991 40 0 GHABHN COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc(F)c(F)c2)C3)cc1 ZINC000096269252 560054122 /nfs/dbraw/zinc/05/41/22/560054122.db2.gz AZCQAMYONSRCHE-KRWDZBQOSA-N 0 3 385.414 3.526 40 0 biogenic,in-vitro GHABHN O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1C(=O)c1ccccc1 ZINC000001102070 570295453 /nfs/dbraw/zinc/29/54/53/570295453.db2.gz NRVVTWYCFPNSTQ-UGKGYDQZSA-N 0 3 376.500 3.912 40 0 GHABHN O[C@@H](COc1cccc2[nH]ccc21)CN1CCC(COc2ccccc2)CC1 ZINC000004213867 570363054 /nfs/dbraw/zinc/36/30/54/570363054.db2.gz ARFNSMYWLYZEPU-LJQANCHMSA-N 0 3 380.488 3.699 40 0 in-man GHABHN COc1ccc(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)cc1OC ZINC000243446043 570457891 /nfs/dbraw/zinc/45/78/91/570457891.db2.gz NEQGWNNGFSYRFD-UHFFFAOYSA-N 0 3 393.491 3.878 40 0 GHABHN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCc2ccccc2C1 ZINC000223411698 570464824 /nfs/dbraw/zinc/46/48/24/570464824.db2.gz CZRGNVYAVABNNP-LJQANCHMSA-N 0 3 392.543 3.897 40 0 GHABHN COc1ccc(CCNCC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 ZINC000035311425 570466698 /nfs/dbraw/zinc/46/66/98/570466698.db2.gz FHRYFAITMGKZOL-UHFFFAOYSA-N 0 3 381.520 3.846 40 0 GHABHN COc1ccc(CNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1OC ZINC000224529308 570516787 /nfs/dbraw/zinc/51/67/87/570516787.db2.gz PEUHNVJPOVGNLI-UHFFFAOYSA-N 0 3 382.504 3.541 40 0 GHABHN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(CN2CCCC2)cc1 ZINC000010691136 570572620 /nfs/dbraw/zinc/57/26/20/570572620.db2.gz MGXLTECPJCKSCX-UHFFFAOYSA-N 0 3 377.488 3.771 40 0 GHABHN Cc1ccc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=O)NC3CCCCC3)cc12 ZINC000001371597 570574905 /nfs/dbraw/zinc/57/49/05/570574905.db2.gz AHOZQWBFIZQXAH-UHFFFAOYSA-N 0 3 398.551 3.551 40 0 GHABHN CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000038834477 570585857 /nfs/dbraw/zinc/58/58/57/570585857.db2.gz XCVIROQOAVCCHJ-SFHVURJKSA-N 0 3 384.451 3.853 40 0 GHABHN O=C([C@H]1CCCN(Cc2ccccc2Cl)C1)N1CCN(c2ccccc2)CC1 ZINC000038835989 570586921 /nfs/dbraw/zinc/58/69/21/570586921.db2.gz MTYADSZMVPSHNI-FQEVSTJZSA-N 0 3 397.950 3.901 40 0 GHABHN O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000038835998 570587255 /nfs/dbraw/zinc/58/72/55/570587255.db2.gz JQSNBBMNUKYISB-HXUWFJFHSA-N 0 3 397.950 3.901 40 0 GHABHN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038858732 570588644 /nfs/dbraw/zinc/58/86/44/570588644.db2.gz GKRFVQVFQQJLSF-QGZVFWFLSA-N 0 3 386.879 3.597 40 0 GHABHN CCOc1cc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)ccc1OC ZINC000012134991 570613986 /nfs/dbraw/zinc/61/39/86/570613986.db2.gz BIJHRSLOPPGMTG-DETIRCLXSA-N 0 3 382.504 3.609 40 0 GHABHN COc1cc2c(cc1CN1C[C@H]3CCC[C@@H](C1)C3(O)c1ccccn1)CCC2 ZINC000012135187 570614010 /nfs/dbraw/zinc/61/40/10/570614010.db2.gz MYARDDFBXYNEKE-SVGJNIJCSA-N 0 3 378.516 3.699 40 0 GHABHN CC(=O)N1CCCc2cc([C@H](O)CN3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000012291161 570632881 /nfs/dbraw/zinc/63/28/81/570632881.db2.gz LOLAGMUUKAEGDQ-XMMPIXPASA-N 0 3 394.490 3.948 40 0 GHABHN COc1ccc(C2(O)CCN(C[C@H](O)c3ccc4ccccc4c3)CC2)cc1 ZINC000012292320 570633259 /nfs/dbraw/zinc/63/32/59/570633259.db2.gz MKKNNVCKFOYGCE-QHCPKHFHSA-N 0 3 377.484 3.865 40 0 GHABHN COc1ccc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2cc(OC)ccc2OC)C3)cc1 ZINC000012361623 570645821 /nfs/dbraw/zinc/64/58/21/570645821.db2.gz KFBWUBPYBDNELH-VXMMSVGHSA-N 0 3 397.515 3.832 40 0 GHABHN COc1cc(C)c(S(=O)(=O)NCCCN2CCC[C@H](C)C2)cc1C(C)C ZINC000260800796 570708251 /nfs/dbraw/zinc/70/82/51/570708251.db2.gz XJUDUAMBOOREJL-INIZCTEOSA-N 0 3 382.570 3.527 40 0 GHABHN Cc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)cc1Cl ZINC000008215705 570765477 /nfs/dbraw/zinc/76/54/77/570765477.db2.gz GJBLOHPHZRKQIT-LJQANCHMSA-N 0 3 381.863 3.594 40 0 GHABHN Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(Cc4cccc(F)c4)C[C@@H]32)no1 ZINC000585109754 570938057 /nfs/dbraw/zinc/93/80/57/570938057.db2.gz PLRUWXQAKGRKCX-JAXLGGSGSA-N 0 3 391.446 3.822 40 0 GHABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4C)[C@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000004166033 570966954 /nfs/dbraw/zinc/96/69/54/570966954.db2.gz GNDIHGXIRKDVMJ-NJYVYQBISA-N 0 3 388.423 3.948 40 0 GHABHN CCOc1ncccc1C(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C ZINC000019531511 210259182 /nfs/dbraw/zinc/25/91/82/210259182.db2.gz IJNRUDQSNLPGIZ-CEMLEFRQSA-N 0 3 393.531 3.963 40 0 GHABHN CCOC(=O)C1(C[C@H]2CC(c3ccccc3F)=NO2)CCN(CC2CC2)CC1 ZINC000019530199 210258318 /nfs/dbraw/zinc/25/83/18/210258318.db2.gz VSTOZCHUFPGUAK-QGZVFWFLSA-N 0 3 388.483 3.764 40 0 GHABHN CC1CCN(C(=O)c2cc([C@@H]3CCCN(CCc4ccccc4)C3)no2)CC1 ZINC000019496734 210252353 /nfs/dbraw/zinc/25/23/53/210252353.db2.gz IZYIOWRMQQLHAO-HXUWFJFHSA-N 0 3 381.520 3.969 40 0 GHABHN COCCNC(=O)c1cc([C@H]2CCCN(Cc3ccc(C(C)C)cc3)C2)no1 ZINC000019453220 210249926 /nfs/dbraw/zinc/24/99/26/210249926.db2.gz RGWCWGXMBNHKIY-IBGZPJMESA-N 0 3 385.508 3.554 40 0 GHABHN Fc1ccccc1OCCCN1CCC(c2nnc(-c3cccnc3)o2)CC1 ZINC000019368110 210243767 /nfs/dbraw/zinc/24/37/67/210243767.db2.gz MOCSZIHJAPJRKE-UHFFFAOYSA-N 0 3 382.439 3.919 40 0 GHABHN Cc1nn([C@H](C)CC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c(C)c1Cl ZINC000019136438 210228454 /nfs/dbraw/zinc/22/84/54/210228454.db2.gz GGNHOLIDFMZPMA-RDTXWAMCSA-N 0 3 376.932 3.832 40 0 GHABHN CCN(CC)CCOC(=O)Cc1cccc2c(=O)cc(-c3cccs3)oc12 ZINC000001582683 209333153 /nfs/dbraw/zinc/33/31/53/209333153.db2.gz RPOFIMKSJQISEF-UHFFFAOYSA-N 0 3 385.485 3.949 40 0 GHABHN Cc1noc(C)c1-c1ccc([C@H]2CCCN2C(=O)C2(C)CCN(C)CC2)nc1 ZINC000257277699 212015851 /nfs/dbraw/zinc/01/58/51/212015851.db2.gz NZAZQGROKLPRFA-LJQANCHMSA-N 0 3 382.508 3.749 40 0 GHABHN Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(Cc3cnn(C)c3)CC2)n1 ZINC000257268185 212013636 /nfs/dbraw/zinc/01/36/36/212013636.db2.gz MKPSYADFAPORQE-UHFFFAOYSA-N 0 3 380.471 3.781 40 0 GHABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](CCC)[C@@H]3C2=O)cc1 ZINC000100531053 211386074 /nfs/dbraw/zinc/38/60/74/211386074.db2.gz GQPKHYLBDZZBAC-HKBOAZHASA-N 0 3 394.471 3.954 40 0 GHABHN Cc1ccccc1CN1CC[C@]2(C1)COCc1cnc(NCc3ccco3)nc12 ZINC000096080361 211301241 /nfs/dbraw/zinc/30/12/41/211301241.db2.gz MYRFXKFUSRBYHS-QHCPKHFHSA-N 0 3 390.487 3.664 40 0 GHABHN CC(C)c1ccc(OCCc2cc([C@H]3CCN(Cc4cnn(C)c4)C3)n[nH]2)cc1 ZINC000072371566 211102149 /nfs/dbraw/zinc/10/21/49/211102149.db2.gz MHXPKQWZGQANCI-FQEVSTJZSA-N 0 3 393.535 3.878 40 0 GHABHN CC(C)c1ccc(OCCc2cc([C@H]3CCN(Cc4cnn(C)c4)C3)[nH]n2)cc1 ZINC000072371566 211102151 /nfs/dbraw/zinc/10/21/51/211102151.db2.gz MHXPKQWZGQANCI-FQEVSTJZSA-N 0 3 393.535 3.878 40 0 GHABHN COC(=O)[C@@]1(Cc2cccc(F)c2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072340254 211094031 /nfs/dbraw/zinc/09/40/31/211094031.db2.gz CPGPVEFITTVHQH-ZRCGQRJVSA-N 0 3 381.447 3.534 40 0 GHABHN COc1ccc(CN2CCC[C@@H]([C@H](NC(C)=O)c3nccs3)C2)c(C)c1C ZINC000072337759 211093124 /nfs/dbraw/zinc/09/31/24/211093124.db2.gz WSDOETBFBXMGLM-QUCCMNQESA-N 0 3 387.549 3.858 40 0 GHABHN NC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccc3ccccc3n2)C1 ZINC000072361007 211100836 /nfs/dbraw/zinc/10/08/36/211100836.db2.gz OVHIICIHPITGSA-OAHLLOKOSA-N 0 3 388.496 3.933 40 0 GHABHN Cc1ccc(Cc2cccc([C@H]3CCCN3C(=O)C3CCN(C)CC3)n2)cc1 ZINC000072358277 211098164 /nfs/dbraw/zinc/09/81/64/211098164.db2.gz PUKWVKDLDKMYRY-HSZRJFAPSA-N 0 3 377.532 3.986 40 0 GHABHN COc1ccccc1Cc1cccc([C@H]2CCCN2C2CCN(C(C)=O)CC2)n1 ZINC000072358194 211098269 /nfs/dbraw/zinc/09/82/69/211098269.db2.gz JSXONVDHPOOIAL-HSZRJFAPSA-N 0 3 393.531 3.829 40 0 GHABHN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC[C@H](N4CCCC4)C3)c2)n1 ZINC000019718348 210289740 /nfs/dbraw/zinc/28/97/40/210289740.db2.gz LPSHUKCNGIUGAS-SFHVURJKSA-N 0 3 386.927 3.843 40 0 GHABHN CN1CCC(n2nccc2NC(=O)c2cc(-c3ccccc3Cl)no2)CC1 ZINC000019660875 210279779 /nfs/dbraw/zinc/27/97/79/210279779.db2.gz CGLUOYXZMSZZCM-UHFFFAOYSA-N 0 3 385.855 3.711 40 0 GHABHN CCN(CC)C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)[C@@H](COC)OC ZINC000004792379 570406103 /nfs/dbraw/zinc/40/61/03/570406103.db2.gz SWYKAZJQKQLLEF-FCHUYYIVSA-N 0 3 399.531 3.734 40 0 GHABHN CCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039757235 570448410 /nfs/dbraw/zinc/44/84/10/570448410.db2.gz AGIRWLIDZJCBKE-UHFFFAOYSA-N 0 3 397.494 3.816 40 0 GHABHN COc1cc(CNC[C@@H](C)O)cc(Br)c1OCc1ccc(F)cc1 ZINC000008535047 570533448 /nfs/dbraw/zinc/53/34/48/570533448.db2.gz DTXSGTKVGOTQFY-GFCCVEGCSA-N 0 3 398.272 3.646 40 0 GHABHN CCn1c2ccc(NC(=O)c3ccc(CN4CCCC4)cc3)cc2sc1=O ZINC000225096176 570548544 /nfs/dbraw/zinc/54/85/44/570548544.db2.gz FGSXXSKHYVKHSS-UHFFFAOYSA-N 0 3 381.501 3.931 40 0 GHABHN COc1ccc(CN2CC[C@@](O)(c3ccccc3)C2)cc1Cc1c(C)n[nH]c1C ZINC000012241361 570629946 /nfs/dbraw/zinc/62/99/46/570629946.db2.gz DIZASICCQHHYKH-DEOSSOPVSA-N 0 3 391.515 3.719 40 0 GHABHN COc1ccc([C@H](O)CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000012292477 570633309 /nfs/dbraw/zinc/63/33/09/570633309.db2.gz SBNWZUGLFDAPCK-LJQANCHMSA-N 0 3 395.421 3.731 40 0 GHABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc(Cl)cc1 ZINC000012329799 570644079 /nfs/dbraw/zinc/64/40/79/570644079.db2.gz FDLIAMLIJIYFHF-RTBURBONSA-N 0 3 391.870 3.863 40 0 GHABHN Cc1nc(-c2ccccc2)c(CC(=O)N(CCN(C)C)Cc2cccnc2)s1 ZINC000012360902 570645566 /nfs/dbraw/zinc/64/55/66/570645566.db2.gz XLZITBDGERSUEE-UHFFFAOYSA-N 0 3 394.544 3.646 40 0 GHABHN COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)C(C)C)c3nccs3)C2)c1 ZINC000012408168 570654941 /nfs/dbraw/zinc/65/49/41/570654941.db2.gz IVCPPTPTNOGADB-PKOBYXMFSA-N 0 3 387.549 3.877 40 0 GHABHN COc1ccc(CC(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)N(C)C)CC2)cc1 ZINC000257229031 570891491 /nfs/dbraw/zinc/89/14/91/570891491.db2.gz FWJSYLMVJZVMIJ-YOSAUDMPSA-N 0 3 395.547 3.858 40 0 GHABHN Cc1ncc(CN2CCC[C@@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)s1 ZINC000585099822 570925856 /nfs/dbraw/zinc/92/58/56/570925856.db2.gz CXXBJXFPLIGIFK-HXUWFJFHSA-N 0 3 388.537 3.604 40 0 GHABHN COc1cccc(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000009062730 856410180 /nfs/dbraw/zinc/41/01/80/856410180.db2.gz QSZWYMLBCRKURD-UHFFFAOYSA-N 0 3 384.495 3.795 40 0 GHABHN CC(=O)N1CCCCC[C@@H]2N(Cc3cnn(-c4ccc(F)cc4)c3)CC[C@@]21C ZINC000019713376 856427135 /nfs/dbraw/zinc/42/71/35/856427135.db2.gz WYTBEYWUBIYQHC-VXKWHMMOSA-N 0 3 384.499 3.767 40 0 GHABHN Cc1nn(C[C@H](C)C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c(C)c1C ZINC000019556983 210260567 /nfs/dbraw/zinc/26/05/67/210260567.db2.gz XLVZXCAXOWFKMB-KRWDZBQOSA-N 0 3 398.551 3.948 40 0 GHABHN CCOC(=O)C1(C[C@H]2CC(c3ccccc3C)=NO2)CCN(CC2CC2)CC1 ZINC000019530195 210257635 /nfs/dbraw/zinc/25/76/35/210257635.db2.gz JFRGYYZTCTWUGI-LJQANCHMSA-N 0 3 384.520 3.933 40 0 GHABHN CCOc1cccc([C@H](O)CN(C)Cc2c3cccnc3[nH]c2[C@H]2CCCO2)c1 ZINC000019519996 210254541 /nfs/dbraw/zinc/25/45/41/210254541.db2.gz QLRDMBLRRULLAD-NHCUHLMSSA-N 0 3 395.503 3.979 40 0 GHABHN C[C@H](CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C)n1cccn1 ZINC000019455343 210249988 /nfs/dbraw/zinc/24/99/88/210249988.db2.gz AQUOZXHNLLMIJK-DKOYFPBOSA-N 0 3 398.526 3.842 40 0 GHABHN COc1ccc(C)cc1CN1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000019133443 210227472 /nfs/dbraw/zinc/22/74/72/210227472.db2.gz KDTBQLBSQPOOSK-CQSZACIVSA-N 0 3 387.434 3.759 40 0 GHABHN Cc1cc2c(cc1C)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(F)cc3)CC1)O2 ZINC000012293747 209930116 /nfs/dbraw/zinc/93/01/16/209930116.db2.gz OKEGUWIUESQILP-LEWJYISDSA-N 0 3 385.479 3.827 40 0 GHABHN O[C@H](COc1cccc2[nH]ccc21)CN1CCC(COc2ccccc2)CC1 ZINC000001846111 209340811 /nfs/dbraw/zinc/34/08/11/209340811.db2.gz ARFNSMYWLYZEPU-IBGZPJMESA-N 0 3 380.488 3.699 40 0 in-man GHABHN COc1cccc(CN2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306131493 212048714 /nfs/dbraw/zinc/04/87/14/212048714.db2.gz KGKATXHBRWBYCU-LJQANCHMSA-N 0 3 391.519 3.718 40 0 GHABHN Cc1nc(-c2cccnc2)sc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)C2 ZINC000257232008 212007193 /nfs/dbraw/zinc/00/71/93/212007193.db2.gz GIZHRUQIOMHQKX-RQXXJAGISA-N 0 3 396.560 3.991 40 0 GHABHN Fc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019332607 211723536 /nfs/dbraw/zinc/72/35/36/211723536.db2.gz UMPKSFWBTFBFRL-NRFANRHFSA-N 0 3 398.530 3.577 40 0 GHABHN Cc1ccc(CN2CC[C@]3(C2)COCc2c(C)nc(NCC4CC4)nc23)cc1 ZINC000096244493 211324704 /nfs/dbraw/zinc/32/47/04/211324704.db2.gz PXHZRBYRNCTYAM-QHCPKHFHSA-N 0 3 378.520 3.589 40 0 GHABHN Cc1ccc(CN2CCC3(CC[C@H]3NS(=O)(=O)c3ccccc3)CC2)s1 ZINC000096051627 211296498 /nfs/dbraw/zinc/29/64/98/211296498.db2.gz QLQPNPZNOFMORC-LJQANCHMSA-N 0 3 390.574 3.780 40 0 GHABHN O=C(NCCO)c1sc2ccccc2c1[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC000072352383 211097594 /nfs/dbraw/zinc/09/75/94/211097594.db2.gz RWVOSAXBNXEMHH-INIZCTEOSA-N 0 3 398.503 3.752 40 0 GHABHN CNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCN(Cc2cccnc2)C1 ZINC000019591763 210275220 /nfs/dbraw/zinc/27/52/20/210275220.db2.gz OJIPYRSUYSHEJL-VWLOTQADSA-N 0 3 385.511 3.929 40 0 GHABHN CCn1c2ccc(CN(Cc3sccc3C)C[C@H](C)O)cc2n(CC)c1=O ZINC000012185493 221163909 /nfs/dbraw/zinc/16/39/09/221163909.db2.gz BTRULNSONGKSMJ-INIZCTEOSA-N 0 3 387.549 3.596 40 0 GHABHN O=C(NCCCN1CCCc2ccccc21)C1CCN(Cc2ccccc2)CC1 ZINC000219404738 136204295 /nfs/dbraw/zinc/20/42/95/136204295.db2.gz OQIGIOOYMWARHG-UHFFFAOYSA-N 0 3 391.559 3.858 40 0 GHABHN COc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(-c4ccco4)c23)cc1 ZINC000005411593 560201720 /nfs/dbraw/zinc/20/17/20/560201720.db2.gz GOQKRKYXUUWIMW-ZWKOTPCHSA-N 0 3 376.456 3.736 40 0 biogenic,in-vitro GHABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccco3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000101997226 570264451 /nfs/dbraw/zinc/26/44/51/570264451.db2.gz ZFLJYOAQDAVHEY-FHWLQOOXSA-N 0 3 394.814 3.984 40 0 GHABHN Cc1ccc(CN2CCC(C(=O)NCc3nc(-c4cccs4)no3)CC2)cc1 ZINC000219409004 570359286 /nfs/dbraw/zinc/35/92/86/570359286.db2.gz OJXWHYQQIZAERB-UHFFFAOYSA-N 0 3 396.516 3.635 40 0 GHABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 ZINC000223276746 570455163 /nfs/dbraw/zinc/45/51/63/570455163.db2.gz IEZTWTINSQGLHP-NHCUHLMSSA-N 0 3 397.592 3.922 40 0 GHABHN Cc1c(C)n(C[C@H](O)CN(C)Cc2ccc(OCCCO)cc2)c2ccccc12 ZINC000257326099 570487466 /nfs/dbraw/zinc/48/74/66/570487466.db2.gz WVUTXZQDDGBSNA-OAQYLSRUSA-N 0 3 396.531 3.512 40 0 GHABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc4c(c3)sc(=O)n4C)CC2)c1 ZINC000225055485 570545793 /nfs/dbraw/zinc/54/57/93/570545793.db2.gz YVYDIEUBDASYQV-UHFFFAOYSA-N 0 3 395.528 3.759 40 0 GHABHN O[C@H](CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc2ccccc2c1 ZINC000012292302 570633272 /nfs/dbraw/zinc/63/32/72/570633272.db2.gz ZXDHLFIMIQVJNC-OAQYLSRUSA-N 0 3 391.467 3.586 40 0 GHABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccc(F)cc1 ZINC000012292720 570633788 /nfs/dbraw/zinc/63/37/88/570633788.db2.gz PCXVPJDVCBCGEO-RTBURBONSA-N 0 3 391.870 3.863 40 0 GHABHN CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000044911490 570642082 /nfs/dbraw/zinc/64/20/82/570642082.db2.gz GGMPNECJJCYSNT-UHFFFAOYSA-N 0 3 384.451 3.853 40 0 GHABHN CN(CCCNC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000260507390 570681978 /nfs/dbraw/zinc/68/19/78/570681978.db2.gz KXEPBDRQHFOZAH-FQEVSTJZSA-N 0 3 383.511 3.680 40 0 GHABHN CC(C)C[C@@H](O)C(=O)N1CCC[C@]2(CCCN2Cc2cc(F)ccc2F)CC1 ZINC000585100375 570924822 /nfs/dbraw/zinc/92/48/22/570924822.db2.gz KMXFBALNFOBJGJ-IRLDBZIGSA-N 0 3 394.506 3.719 40 0 GHABHN COc1cc(CN2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@H]3C2)ccc1O ZINC000019569215 570927701 /nfs/dbraw/zinc/92/77/01/570927701.db2.gz QLSDPSXDBKELMS-LTMIRXACSA-N 0 3 383.488 3.529 40 0 GHABHN CC1(C(=O)NC2CC3(C2)CCN(Cc2c[nH]nc2-c2ccccc2)CC3)CC1 ZINC000585103965 570929784 /nfs/dbraw/zinc/92/97/84/570929784.db2.gz URVFENJVQDOUNO-UHFFFAOYSA-N 0 3 378.520 3.738 40 0 GHABHN CCCC[C@@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000020142175 570941961 /nfs/dbraw/zinc/94/19/61/570941961.db2.gz UBVNPEANJCLKBS-QFIPXVFZSA-N 0 3 396.583 3.707 40 0 GHABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000004301408 570971452 /nfs/dbraw/zinc/97/14/52/570971452.db2.gz MBEIPAAIJONRMZ-HKBOAZHASA-N 0 3 388.423 3.893 40 0 GHABHN Cc1c(CN2CC[C@@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)cnn1C ZINC000019704537 856424903 /nfs/dbraw/zinc/42/49/03/856424903.db2.gz AAYHCOKGWOKUIC-OAHLLOKOSA-N 0 3 385.899 3.674 40 0 GHABHN COc1ccc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[n-]3)CC2)cc1 ZINC000019555042 210261892 /nfs/dbraw/zinc/26/18/92/210261892.db2.gz CSDWDNVRVHQUQD-UHFFFAOYSA-N 0 3 376.460 3.632 40 0 GHABHN CCN(CC)[C@H](CNCc1cc(-c2ccccc2)cn2nnnc12)c1ccco1 ZINC000019526305 210256030 /nfs/dbraw/zinc/25/60/30/210256030.db2.gz OSPHPCQGKPGJGJ-HXUWFJFHSA-N 0 3 390.491 3.557 40 0 GHABHN CCOc1cccc([C@@H](O)CN(C)Cc2c3cccnc3[nH]c2[C@H]2CCCO2)c1 ZINC000019519995 210255455 /nfs/dbraw/zinc/25/54/55/210255455.db2.gz QLRDMBLRRULLAD-LEWJYISDSA-N 0 3 395.503 3.979 40 0 GHABHN C[C@@H]1C[C@H](C)CN(Cc2c3cccn(CC(=O)N(C)C)c-3nc2C(F)(F)F)C1 ZINC000019462578 210253398 /nfs/dbraw/zinc/25/33/98/210253398.db2.gz DFWHBCZURRWXHU-OKILXGFUSA-N 0 3 396.457 3.573 40 0 GHABHN CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1 ZINC000019450574 210247735 /nfs/dbraw/zinc/24/77/35/210247735.db2.gz WBGBTPDOVFLSLT-LJQANCHMSA-N 0 3 390.487 3.609 40 0 GHABHN CC(C)Oc1ccc(C[N@H+]2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1 ZINC000019450574 210247739 /nfs/dbraw/zinc/24/77/39/210247739.db2.gz WBGBTPDOVFLSLT-LJQANCHMSA-N 0 3 390.487 3.609 40 0 GHABHN NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2ccccc2F)C1 ZINC000019348794 210243591 /nfs/dbraw/zinc/24/35/91/210243591.db2.gz IAPXTUTVHIBBRP-XMMPIXPASA-N 0 3 389.474 3.808 40 0 GHABHN COc1ccccc1C[N@H+]1C[C@@H](c2ccccc2F)[C@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000019285540 210235044 /nfs/dbraw/zinc/23/50/44/210235044.db2.gz UJMDJBGACIFKSZ-RBUKOAKNSA-N 0 3 393.462 3.609 40 0 GHABHN COc1ccccc1C[N@@H+]1C[C@@H](c2ccccc2F)[C@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000019285540 210235049 /nfs/dbraw/zinc/23/50/49/210235049.db2.gz UJMDJBGACIFKSZ-RBUKOAKNSA-N 0 3 393.462 3.609 40 0 GHABHN COc1ccc(C)cc1C[NH+]1CCC(c2nc(-c3ccncc3)cc(=O)[n-]2)CC1 ZINC000019133373 210228028 /nfs/dbraw/zinc/22/80/28/210228028.db2.gz WCUJUXJRMOSSKN-UHFFFAOYSA-N 0 3 390.487 3.529 40 0 GHABHN Cc1ccc([C@H](C)C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)cc1 ZINC000019136095 210226993 /nfs/dbraw/zinc/22/69/93/210226993.db2.gz HQSNGCVGYDNRSF-UWJYYQICSA-N 0 3 378.520 3.630 40 0 GHABHN Cc1ccc(N2CCN(CCCN3CCN(c4ccc(C)cc4)CC3)CC2)cc1 ZINC000002022102 209343595 /nfs/dbraw/zinc/34/35/95/209343595.db2.gz NMKDWMCSZAMACR-UHFFFAOYSA-N 0 3 392.591 3.638 40 0 GHABHN CCN1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2N)CC1 ZINC000226265322 209187281 /nfs/dbraw/zinc/18/72/81/209187281.db2.gz BNCDKMUZPOJRGA-UHFFFAOYSA-N 0 3 380.536 3.961 40 0 GHABHN Fc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc5c(c4)OCO5)C2)C3)cc1 ZINC000306145075 212056968 /nfs/dbraw/zinc/05/69/68/212056968.db2.gz ZWZXMLHSRMZIBS-QHCPKHFHSA-N 0 3 391.446 3.866 40 0 GHABHN c1cc(CN2CCC(n3cnc4ncc(-c5cccnc5)nc43)CC2)cs1 ZINC000306144532 212054933 /nfs/dbraw/zinc/05/49/33/212054933.db2.gz ZICBXEMJMUMFFT-UHFFFAOYSA-N 0 3 376.489 3.787 40 0 GHABHN Cc1ccc(CN2C[C@@H]3[C@@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)s1 ZINC000306136024 212051786 /nfs/dbraw/zinc/05/17/86/212051786.db2.gz PGWWMKSKCKFEBC-NHCUHLMSSA-N 0 3 377.513 3.940 40 0 GHABHN CNc1ncccc1CN1CC[C@@H](Cc2cccc(-c3c(C)noc3C)n2)C1 ZINC000257251387 212010448 /nfs/dbraw/zinc/01/04/48/212010448.db2.gz JQNLALNZGLVLFM-KRWDZBQOSA-N 0 3 377.492 3.855 40 0 GHABHN CN(C)CCOc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cn1 ZINC000225943627 211936557 /nfs/dbraw/zinc/93/65/57/211936557.db2.gz YQSVGKLIFMKCTE-UHFFFAOYSA-N 0 3 375.900 3.883 40 0 GHABHN COc1cccc(C(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)N(C)C)CC2)c1 ZINC000100750183 211390567 /nfs/dbraw/zinc/39/05/67/211390567.db2.gz LDMWXTFTKNUZFH-SVMVAKDDSA-N 0 3 381.520 3.929 40 0 GHABHN CN(C)[C@@H]1CCN(C(=O)c2ccc3ccc(N(C)c4ccc(F)cc4)n3c2)C1 ZINC000096146192 211310354 /nfs/dbraw/zinc/31/03/54/211310354.db2.gz AMYFRHDMCWTMSX-HXUWFJFHSA-N 0 3 380.467 3.622 40 0 GHABHN Fc1ccc(-c2cccc(CN3CCC(c4nnc5n4CCNC5)CC3)c2)cc1 ZINC000072372105 211101948 /nfs/dbraw/zinc/10/19/48/211101948.db2.gz CSIZXZFXRINRPS-UHFFFAOYSA-N 0 3 391.494 3.567 40 0 GHABHN O=C(CN1CCC[C@H](Cn2ccnc2)C1)Nc1ccc(N2CCCCCC2)cc1 ZINC000072399257 211112455 /nfs/dbraw/zinc/11/24/55/211112455.db2.gz NERJRFQIPFBTFN-FQEVSTJZSA-N 0 3 395.551 3.614 40 0 GHABHN Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(CC(=O)N3CCCC3)C2)n1 ZINC000072374842 211106472 /nfs/dbraw/zinc/10/64/72/211106472.db2.gz OXJHQJMDHKCMGA-IBGZPJMESA-N 0 3 393.535 3.639 40 0 GHABHN COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(Cc3ccccn3)C2)cc1 ZINC000072345975 211095013 /nfs/dbraw/zinc/09/50/13/211095013.db2.gz SXUDYMCSZFIBKP-KRWDZBQOSA-N 0 3 375.476 3.509 40 0 GHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1cccc(F)c1 ZINC000020798559 210363018 /nfs/dbraw/zinc/36/30/18/210363018.db2.gz VNRXGOFELYRHJD-GOSISDBHSA-N 0 3 396.418 3.654 40 0 GHABHN Cc1nc([C@H]2CCCN(Cc3ccccc3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763155 210294975 /nfs/dbraw/zinc/29/49/75/210294975.db2.gz FQKBLQNFWFQZSZ-FQEVSTJZSA-N 0 3 378.520 3.791 40 0 GHABHN Cc1ccccc1CN1CC=C(c2nc(C)c(C)c(N3CCOCC3)n2)CC1 ZINC000072339598 136168646 /nfs/dbraw/zinc/16/86/46/136168646.db2.gz XCZZAQPBYGYOQT-UHFFFAOYSA-N 0 3 378.520 3.528 40 0 GHABHN C[C@@]1(O)CCN(CC2CC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289041 560033479 /nfs/dbraw/zinc/03/34/79/560033479.db2.gz FKKWNANWAJZEQW-IRFCIJBXSA-N 0 3 388.508 3.594 40 0 biogenic,in-vitro GHABHN Cc1cccc(OC[C@@H](O)CNCc2cc3c(C)ccc(C)c3[nH]c2=O)c1C ZINC000585283688 570251914 /nfs/dbraw/zinc/25/19/14/570251914.db2.gz GUQXIHMIVDPPDV-IBGZPJMESA-N 0 3 380.488 3.704 40 0 GHABHN CC(C)(C)[C@H]1CC[C@H](N2CC[C@H](O)[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585287663 570258941 /nfs/dbraw/zinc/25/89/41/570258941.db2.gz QJWPCLQEOXXRKI-RDAXPCIFSA-N 0 3 397.506 3.746 40 0 GHABHN COc1ccc(OC[C@H](O)CN(C)Cc2c3cccnc3[nH]c2C(C)C)cc1 ZINC000057762054 570372825 /nfs/dbraw/zinc/37/28/25/570372825.db2.gz QRMFOXCNQJVINU-MRXNPFEDSA-N 0 3 383.492 3.567 40 0 GHABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 ZINC000223289176 570456122 /nfs/dbraw/zinc/45/61/22/570456122.db2.gz FMBLUBSTGDJFPA-SFTDATJTSA-N 0 3 397.592 3.922 40 0 GHABHN COc1ccccc1CNc1cc(-c2ccccc2)nc(NCCN(C)C)n1 ZINC000242820235 570456814 /nfs/dbraw/zinc/45/68/14/570456814.db2.gz FKJZOFGNQWRTBZ-UHFFFAOYSA-N 0 3 377.492 3.738 40 0 GHABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c(C)c3)cc2)CC1 ZINC000006517667 570482420 /nfs/dbraw/zinc/48/24/20/570482420.db2.gz GWVHNMRKBHDJNL-UHFFFAOYSA-N 0 3 396.560 3.572 40 0 GHABHN CCOCCOc1ccc(CN(C)C[C@@H](O)Cn2ccc3ccccc32)cc1 ZINC000257265150 570488084 /nfs/dbraw/zinc/48/80/84/570488084.db2.gz LXMSVMQXMIZMIC-OAQYLSRUSA-N 0 3 382.504 3.550 40 0 GHABHN Cc1ccccc1N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000010150682 570565855 /nfs/dbraw/zinc/56/58/55/570565855.db2.gz ORDGDFJLFNLXML-UHFFFAOYSA-N 0 3 391.515 3.584 40 0 GHABHN COc1cc(C(=O)NCc2ccccc2CN2CCCCC2)cc(OC)c1OC ZINC000010281582 570567480 /nfs/dbraw/zinc/56/74/80/570567480.db2.gz GLFCVKOFYGIBNQ-UHFFFAOYSA-N 0 3 398.503 3.628 40 0 GHABHN CCOC(=O)c1cccc(NC(=S)NCCCN2CCc3ccccc3C2)c1 ZINC000225743547 570612340 /nfs/dbraw/zinc/61/23/40/570612340.db2.gz LLJYPSAWRIEYDS-UHFFFAOYSA-N 0 3 397.544 3.598 40 0 GHABHN CC[C@H](CN1CCCCC1)NC(=O)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000012239792 570630076 /nfs/dbraw/zinc/63/00/76/570630076.db2.gz WJFJNHZZGQCDPL-HXUWFJFHSA-N 0 3 382.552 3.721 40 0 GHABHN COc1ccccc1CCCNC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044906639 570641780 /nfs/dbraw/zinc/64/17/80/570641780.db2.gz NGOPAKPWMBTWIG-HXUWFJFHSA-N 0 3 384.495 3.795 40 0 GHABHN Cc1ccsc1CN1CCc2[nH]c3cc(-c4ccoc4C)nn3c(=O)c2C1 ZINC000012667161 570696986 /nfs/dbraw/zinc/69/69/86/570696986.db2.gz UHALRMVDQNELCL-UHFFFAOYSA-N 0 3 380.473 3.932 40 0 GHABHN CCC(C)(C)n1nnnc1[C@@H](c1ccc(C)cc1)N1CCN(C2CCCC2)CC1 ZINC000020139984 570941975 /nfs/dbraw/zinc/94/19/75/570941975.db2.gz KHHRRXCIUMSBBV-OAQYLSRUSA-N 0 3 396.583 3.776 40 0 GHABHN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1C[C@@H](C)C[C@H](C)C1 ZINC000004860318 570998283 /nfs/dbraw/zinc/99/82/83/570998283.db2.gz WAUKQBSIVYNPOP-MELADBBJSA-N 0 3 389.471 3.789 40 0 GHABHN CN(C)Cc1cc(C2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)n[nH]1 ZINC000019708943 856425705 /nfs/dbraw/zinc/42/57/05/856425705.db2.gz VWJLMEGDNZGUPD-UHFFFAOYSA-N 0 3 393.535 3.682 40 0 GHABHN COc1ccc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1C ZINC000019577378 210268201 /nfs/dbraw/zinc/26/82/01/210268201.db2.gz VAKKKQCOXVTBPN-OAQYLSRUSA-N 0 3 380.536 3.817 40 0 GHABHN Cc1nn(CC(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)c(C)c1C ZINC000019556498 210260604 /nfs/dbraw/zinc/26/06/04/210260604.db2.gz KZFAKZUDCXXNIW-CQOQZXRMSA-N 0 3 394.563 3.677 40 0 GHABHN CCOc1ccc(CN2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)cc1OC ZINC000019533924 210259782 /nfs/dbraw/zinc/25/97/82/210259782.db2.gz YKMJJSOVBBSRBH-YYDVJCTNSA-N 0 3 382.504 3.527 40 0 GHABHN COc1ccc2c(c1)C(=O)N[C@@]1(CCN([C@@H](C)Cc3ccc(F)cc3)C1)CC2 ZINC000019456785 210250835 /nfs/dbraw/zinc/25/08/35/210250835.db2.gz BNBNWBMDHVTXPC-QMHKHESXSA-N 0 3 382.479 3.586 40 0 GHABHN C=Cn1ncc(C[NH+]2CCC(c3cc(=O)[n-]c(-c4cccc(C)c4)n3)CC2)c1C ZINC000019235535 210232817 /nfs/dbraw/zinc/23/28/17/210232817.db2.gz CQDUJOVFHSVTOM-UHFFFAOYSA-N 0 3 389.503 3.730 40 0 GHABHN c1csc(-c2cnc3n2C[C@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306141203 212054388 /nfs/dbraw/zinc/05/43/88/212054388.db2.gz VOGLCUFDWGMXHA-OAQYLSRUSA-N 0 3 395.484 3.515 40 0 GHABHN Cc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cn(CC4CCC4)nc23)s1 ZINC000306131306 212048881 /nfs/dbraw/zinc/04/88/81/212048881.db2.gz KAXKRKZSVRJZRD-UHFFFAOYSA-N 0 3 398.576 3.673 40 0 GHABHN c1cc(-c2cnc3n2C[C@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)cs1 ZINC000306127390 212047907 /nfs/dbraw/zinc/04/79/07/212047907.db2.gz FXKGHKUYFMOZKV-OAQYLSRUSA-N 0 3 395.484 3.515 40 0 GHABHN CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(C(=O)CN4CCCC4)CC3)C[C@@H]21 ZINC000257269591 212014379 /nfs/dbraw/zinc/01/43/79/212014379.db2.gz MQPFXBWELRDSOR-SIKLNZKXSA-N 0 3 398.547 3.640 40 0 GHABHN Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(Cc3ccnn3C)CC2)n1 ZINC000257273046 212013991 /nfs/dbraw/zinc/01/39/91/212013991.db2.gz NEZIZBVJDKCNCR-UHFFFAOYSA-N 0 3 380.471 3.781 40 0 GHABHN CN(C)CCNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257224417 212007876 /nfs/dbraw/zinc/00/78/76/212007876.db2.gz FBSVWWGNSBZQBU-UHFFFAOYSA-N 0 3 384.495 3.510 40 0 GHABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000100750241 211390234 /nfs/dbraw/zinc/39/02/34/211390234.db2.gz JHPBQUQFLRXRBS-FVJLSDCUSA-N 0 3 397.567 3.941 40 0 GHABHN COc1ccc(CN2CCC[C@]3(CCC(=O)N3Cc3ccncc3)CC2)cc1 ZINC000096047541 211296748 /nfs/dbraw/zinc/29/67/48/211296748.db2.gz JQEVEOCPYBYXCI-QHCPKHFHSA-N 0 3 379.504 3.638 40 0 GHABHN CN1CCC(C(=O)N2CCC[C@@H](c3nccnc3-c3cccc(Cl)c3)C2)CC1 ZINC000072359210 211101292 /nfs/dbraw/zinc/10/12/92/211101292.db2.gz LBUHBBZFLJOZAO-GOSISDBHSA-N 0 3 398.938 3.845 40 0 GHABHN CCc1nccn1-c1nccnc1[C@H]1CCCN(Cc2ccc(OC)cc2)C1 ZINC000072350518 211096919 /nfs/dbraw/zinc/09/69/19/211096919.db2.gz PKZGKKGTNAWVIF-SFHVURJKSA-N 0 3 377.492 3.613 40 0 GHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1cccc(C)c1 ZINC000020634778 210353838 /nfs/dbraw/zinc/35/38/38/210353838.db2.gz OFCWNDNTXNWZQF-IBGZPJMESA-N 0 3 392.455 3.824 40 0 GHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccccc1 ZINC000020634745 210353236 /nfs/dbraw/zinc/35/32/36/210353236.db2.gz BKGSDNFWHOJGLJ-SFHVURJKSA-N 0 3 378.428 3.515 40 0 GHABHN Cc1nn(C)c2nc([C@H]3CCCN(Cc4c(C)nc5cc(C)ccn54)C3)ccc12 ZINC000019742498 210292194 /nfs/dbraw/zinc/29/21/94/210292194.db2.gz OGJASZBHSIYPSB-SFHVURJKSA-N 0 3 388.519 3.921 40 0 GHABHN Fc1ccccc1-c1ccccc1CN1CCC[C@@H]1c1nnc2n1CCNCC2 ZINC000019706394 210283916 /nfs/dbraw/zinc/28/39/16/210283916.db2.gz XAMGKNRAHIWBLD-OAQYLSRUSA-N 0 3 391.494 3.567 40 0 GHABHN CCS(=O)(=O)c1ccc2oc([C@H]3CCN(CC4CCCCC4)C3)nc2c1 ZINC000049169112 560084826 /nfs/dbraw/zinc/08/48/26/560084826.db2.gz DCMFKLUZCFQZBO-INIZCTEOSA-N 0 3 376.522 3.991 40 0 biogenic,in-vitro GHABHN Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(C(=O)/C=C/CN(C)C)C2)n1 ZINC000585293089 570262296 /nfs/dbraw/zinc/26/22/96/570262296.db2.gz WPUQXVRHHFXALF-VQFGERMISA-N 0 3 393.535 3.661 40 0 GHABHN Cc1cc(Nc2cccc(C(=O)NC(C)(C)CN3CCCCC3)c2)nc(C)n1 ZINC000057776197 570373559 /nfs/dbraw/zinc/37/35/59/570373559.db2.gz KDUKHBJDLOGESC-UHFFFAOYSA-N 0 3 381.524 3.831 40 0 GHABHN CCOC(=O)C1(c2ccccc2)CCN(CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000004576887 570385690 /nfs/dbraw/zinc/38/56/90/570385690.db2.gz LIHIPJDKYVGEQP-UHFFFAOYSA-N 0 3 398.478 3.751 40 0 GHABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 ZINC000223288968 570456384 /nfs/dbraw/zinc/45/63/84/570456384.db2.gz DRLCVYZRBBNDIO-UXHICEINSA-N 0 3 383.565 3.532 40 0 GHABHN O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000038851253 570587548 /nfs/dbraw/zinc/58/75/48/570587548.db2.gz BUSYKZFZXQNJFY-IBGZPJMESA-N 0 3 399.485 3.526 40 0 GHABHN Cc1cccc(C2(C(=O)Nc3ccc(OCCN(C)C)cc3)CCOCC2)c1 ZINC000225566452 570589063 /nfs/dbraw/zinc/58/90/63/570589063.db2.gz OTTCGZHRLDQGFJ-UHFFFAOYSA-N 0 3 382.504 3.622 40 0 GHABHN CN(CCN1CCCCC1)C(=O)Cc1csc(-c2cccc(Cl)c2)n1 ZINC000012325906 570643128 /nfs/dbraw/zinc/64/31/28/570643128.db2.gz LMGPJSRCHCNQRU-UHFFFAOYSA-N 0 3 377.941 3.950 40 0 GHABHN COc1ccccc1C1(O)CCN(Cc2cccc(-n3nc(C)cc3C)c2)CC1 ZINC000012328539 570643766 /nfs/dbraw/zinc/64/37/66/570643766.db2.gz YRXJPZVCSVKEJL-UHFFFAOYSA-N 0 3 391.515 3.981 40 0 GHABHN O=C(Cc1csc(-c2ccccn2)n1)N1CCCC[C@H]1CN1CCCCC1 ZINC000012360927 570645540 /nfs/dbraw/zinc/64/55/40/570645540.db2.gz MXOQLEQIWCPQOZ-SFHVURJKSA-N 0 3 384.549 3.615 40 0 GHABHN O=C(Cc1csc(-c2ccccn2)n1)N1CCCC[C@@H]1CN1CCCCC1 ZINC000012360926 570645630 /nfs/dbraw/zinc/64/56/30/570645630.db2.gz MXOQLEQIWCPQOZ-GOSISDBHSA-N 0 3 384.549 3.615 40 0 GHABHN O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000034230641 570647063 /nfs/dbraw/zinc/64/70/63/570647063.db2.gz NNZNQXUIQQZLGA-UHFFFAOYSA-N 0 3 399.485 3.526 40 0 GHABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(F)cc2)CC1 ZINC000257291714 570903612 /nfs/dbraw/zinc/90/36/12/570903612.db2.gz QIHYOIQIBJECQL-YDHSSHFGSA-N 0 3 383.511 3.989 40 0 GHABHN Cc1ccc(C)c(CN2CCOC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 ZINC000585103648 570929004 /nfs/dbraw/zinc/92/90/04/570929004.db2.gz FDAQCXRUASOYPV-HSZRJFAPSA-N 0 3 382.479 3.698 40 0 GHABHN COc1ccc([C@@H](N)c2n[nH]c(COc3ccc(C(C)(C)C)cc3)n2)cc1OC ZINC000095533894 860614280 /nfs/dbraw/zinc/61/42/80/860614280.db2.gz DCAITSWQYFWDFT-HXUWFJFHSA-N 0 3 396.491 3.747 40 0 GHABHN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000222908779 222618342 /nfs/dbraw/zinc/61/83/42/222618342.db2.gz WONLZGWCKMMDFA-PMACEKPBSA-N 0 3 377.517 3.896 40 0 GHABHN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1C(C)C ZINC000223263806 222629116 /nfs/dbraw/zinc/62/91/16/222629116.db2.gz QGIFHVCJTHMERA-VQTJNVASSA-N 0 3 385.581 3.615 40 0 GHABHN Cc1nccn1-c1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc1 ZINC000012143639 221158749 /nfs/dbraw/zinc/15/87/49/221158749.db2.gz SSISOKUXROQOMV-IRLDBZIGSA-N 0 3 396.441 3.568 40 0 GHABHN COc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc3ccccc3c2)CC1 ZINC000012292294 221176576 /nfs/dbraw/zinc/17/65/76/221176576.db2.gz FIPHRJBUGLNZBM-JOCHJYFZSA-N 0 3 377.484 3.865 40 0 GHABHN CCOCCCNCc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186357 221164339 /nfs/dbraw/zinc/16/43/39/221164339.db2.gz ALOWVZYMRWEJPW-UHFFFAOYSA-N 0 3 382.508 3.528 40 0 GHABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@@H]3C2=O)c(C)c1 ZINC000013115720 221261678 /nfs/dbraw/zinc/26/16/78/221261678.db2.gz FVAZHGFOSSHRCS-FKBYEOEOSA-N 0 3 399.450 3.750 40 0 GHABHN COc1ccc(C)cc1CN1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000019133446 221399000 /nfs/dbraw/zinc/39/90/00/221399000.db2.gz KDTBQLBSQPOOSK-AWEZNQCLSA-N 0 3 387.434 3.759 40 0 GHABHN C[C@@H](C(=O)Nc1cccc(CN2CCCCC2)c1)n1cnc2ccccc2c1=O ZINC000019080637 221396997 /nfs/dbraw/zinc/39/69/97/221396997.db2.gz OFJLSCOVJYXVER-KRWDZBQOSA-N 0 3 390.487 3.582 40 0 GHABHN Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc(N4CCN(C)CC4)cc3)cc12 ZINC000013562987 136201281 /nfs/dbraw/zinc/20/12/81/136201281.db2.gz WUYJJYGRURWWKZ-UHFFFAOYSA-N 0 3 376.504 3.509 40 0 GHABHN Cc1nn(C)cc1CN1CCC[C@@H](c2cccc(Nc3ncccc3C)n2)C1 ZINC000072376039 222243523 /nfs/dbraw/zinc/24/35/23/222243523.db2.gz FYESRCLSOIYCKR-GOSISDBHSA-N 0 3 376.508 3.950 40 0 GHABHN Cc1n[nH]c(C)c1CCC(=O)NCC1CCC([C@@H](c2ccccn2)N(C)C)CC1 ZINC000072391152 222249797 /nfs/dbraw/zinc/24/97/97/222249797.db2.gz PTQXODXMZMPCMH-XWEVFREBSA-N 0 3 397.567 3.580 40 0 GHABHN COc1ccccc1CN1CCC[C@@H]([C@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000072398551 222253309 /nfs/dbraw/zinc/25/33/09/222253309.db2.gz AOBDGEUISKTNJI-KNQAVFIVSA-N 0 3 379.504 3.570 40 0 GHABHN COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCCN2CC2CC2)cc1 ZINC000019766514 570217581 /nfs/dbraw/zinc/21/75/81/570217581.db2.gz BVQYLCOSIRGZKM-NRFANRHFSA-N 0 3 394.519 3.661 40 0 GHABHN Cc1ccc(OC[C@H](O)CNCc2cc3c(C)ccc(C)c3[nH]c2=O)c(C)c1 ZINC000585283085 570251466 /nfs/dbraw/zinc/25/14/66/570251466.db2.gz BMWLZFDHYBEACP-LJQANCHMSA-N 0 3 380.488 3.704 40 0 GHABHN Cc1ccc(C)c2[nH]c(=O)c(CNC[C@H](O)COc3ccc(Cl)cc3)cc12 ZINC000585284987 570254306 /nfs/dbraw/zinc/25/43/06/570254306.db2.gz MVJVYXAHJAZMMD-KRWDZBQOSA-N 0 3 386.879 3.740 40 0 GHABHN CCOC(=O)c1sc(N2CCNCC2)nc1-c1cc(Cl)cc(Cl)c1 ZINC000021986855 570301136 /nfs/dbraw/zinc/30/11/36/570301136.db2.gz JOGYMROMYLUNJV-UHFFFAOYSA-N 0 3 386.304 3.703 40 0 GHABHN CN(C)CCNCc1cc(Br)ccc1OCc1ccccc1F ZINC000022075578 570305406 /nfs/dbraw/zinc/30/54/06/570305406.db2.gz SEOBDSBSOPKXRM-UHFFFAOYSA-N 0 3 381.289 3.818 40 0 GHABHN Cc1cccc(OCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1C ZINC000223960461 570491920 /nfs/dbraw/zinc/49/19/20/570491920.db2.gz ASMHAXXXXFZOQR-HXUWFJFHSA-N 0 3 384.495 3.850 40 0 GHABHN O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000225007280 570543115 /nfs/dbraw/zinc/54/31/15/570543115.db2.gz NYLNGMSWPUGYLR-UHFFFAOYSA-N 0 3 397.494 3.513 40 0 GHABHN O=C([C@@H]1CCCO1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 ZINC000601032723 570579198 /nfs/dbraw/zinc/57/91/98/570579198.db2.gz OHJNHKUFSKAANI-QHCPKHFHSA-N 0 3 378.516 3.906 40 0 in-vitro GHABHN CCCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)C1=C[C@@H]2CC[C@H](C1)N2C ZINC000002024819 570586994 /nfs/dbraw/zinc/58/69/94/570586994.db2.gz LZYMPGNBBKVSQZ-DLBZAZTESA-N 0 3 388.508 3.705 40 0 GHABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000039964094 570594525 /nfs/dbraw/zinc/59/45/25/570594525.db2.gz OCIJLBCPZCRQKY-QGZVFWFLSA-N 0 3 380.835 3.769 40 0 GHABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1F ZINC000101026861 570603385 /nfs/dbraw/zinc/60/33/85/570603385.db2.gz IMEVDSRFMICGCF-NJYVYQBISA-N 0 3 388.398 3.877 40 0 GHABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@H]3C2=O)c(C)c1 ZINC000101057376 570616929 /nfs/dbraw/zinc/61/69/29/570616929.db2.gz FVAZHGFOSSHRCS-FSSWDIPSSA-N 0 3 399.450 3.750 40 0 GHABHN CC(C(=O)N[C@H]1CCCC[C@@H]1C)S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000109033394 570770438 /nfs/dbraw/zinc/77/04/38/570770438.db2.gz GEMHHPVBFHHPKK-XEZPLFJOSA-N 0 3 391.455 3.704 40 0 GHABHN CCn1cc(CN(C)[C@H]2CC[C@@]3(C)C[C@H](c4ccccc4)C[C@](C)(O3)[C@@H]2O)cn1 ZINC000257280321 570774993 /nfs/dbraw/zinc/77/49/93/570774993.db2.gz OKKDYGVPXUSSKI-LKTXNROYSA-N 0 3 397.563 3.970 40 0 GHABHN Cc1cc(N2C(=O)OC[C@@H]2Cc2ccccc2)nc(C2CCN(C(C)C)CC2)n1 ZINC000257343705 570785064 /nfs/dbraw/zinc/78/50/64/570785064.db2.gz ZUCNSAUPJZXPPL-FQEVSTJZSA-N 0 3 394.519 3.941 40 0 GHABHN C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000010544114 570792086 /nfs/dbraw/zinc/79/20/86/570792086.db2.gz HOLGDQLYFNAQHI-ZIAGYGMSSA-N 0 3 393.380 3.781 40 0 GHABHN COc1cc2c(cc1CN1C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C1)CCC2 ZINC000019215982 570961783 /nfs/dbraw/zinc/96/17/83/570961783.db2.gz HTDDOKOZWNIBQG-LEEZEASISA-N 0 3 378.516 3.617 40 0 GHABHN COc1ccc(CN[C@@H]2CCCN(C(C)=O)[C@H]2c2ccc(C)s2)c(OC)c1 ZINC000019217334 570962345 /nfs/dbraw/zinc/96/23/45/570962345.db2.gz BEONTIZWBRNUAB-WIYYLYMNSA-N 0 3 388.533 3.916 40 0 GHABHN CC(=O)N1CCC(c2ncc3c(n2)CCN(CC[C@H](C)c2ccccc2)C3)CC1 ZINC000019455726 570987145 /nfs/dbraw/zinc/98/71/45/570987145.db2.gz AIHULRSYFJVMNQ-SFHVURJKSA-N 0 3 392.547 3.754 40 0 GHABHN COc1ccc2c(c1)C(=O)N[C@@]1(CCN([C@@H](C)Cc3ccccc3F)C1)CC2 ZINC000019456889 570987501 /nfs/dbraw/zinc/98/75/01/570987501.db2.gz OVBSVHJFZZWAJS-QMHKHESXSA-N 0 3 382.479 3.586 40 0 GHABHN CCOc1ccccc1C(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C ZINC000019520139 570994189 /nfs/dbraw/zinc/99/41/89/570994189.db2.gz FPQQTVQWLWFJME-KCZVDYSFSA-N 0 3 382.479 3.927 40 0 GHABHN CCOCc1cc(CN2CCC(c3cc4nccnc4[nH]3)CC2)ccc1OC ZINC000019531123 570998707 /nfs/dbraw/zinc/99/87/07/570998707.db2.gz YMKYHVAWDHACIH-UHFFFAOYSA-N 0 3 380.492 3.883 40 0 GHABHN COc1cccc(CN2[C@@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)c1F ZINC000019567145 571008697 /nfs/dbraw/zinc/00/86/97/571008697.db2.gz JKUQBPXWXXYODE-LIMIJEPZSA-N 0 3 395.478 3.742 40 0 GHABHN COc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)cn1 ZINC000019589106 571016363 /nfs/dbraw/zinc/01/63/63/571016363.db2.gz UGIGORGTWHEWND-VWPQPMDRSA-N 0 3 379.504 3.573 40 0 GHABHN CC(C)c1ccc(CN2CCC([C@@]3(c4nccs4)CNC(=O)CO3)CC2)cc1 ZINC000019696659 856423464 /nfs/dbraw/zinc/42/34/64/856423464.db2.gz FLILDELLNXZZAN-JOCHJYFZSA-N 0 3 399.560 3.520 40 0 GHABHN CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CN1CCN(c3ccccc3)CC1)C2 ZINC000035075054 212111280 /nfs/dbraw/zinc/11/12/80/212111280.db2.gz JQRIJBVNFRDMPG-FMRHZRETSA-N 0 3 386.580 3.791 40 0 GHABHN CCOc1c(Br)cc(Br)cc1CNC[C@@H]1CCCO1 ZINC000008253318 221032766 /nfs/dbraw/zinc/03/27/66/221032766.db2.gz JFPLYDKYYMCKGC-LBPRGKRZSA-N 0 3 393.119 3.879 40 0 GHABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)CCC4)CC1)O2 ZINC000012330214 221182147 /nfs/dbraw/zinc/18/21/47/221182147.db2.gz XEBGHOWCYQJQCG-PKTZIBPZSA-N 0 3 393.527 3.868 40 0 GHABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2c(c1)CCC2 ZINC000012330147 221182388 /nfs/dbraw/zinc/18/23/88/221182388.db2.gz PLUDDOXJYPWKRH-VXKWHMMOSA-N 0 3 379.500 3.559 40 0 GHABHN Cc1cc(C[NH+]2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)cc(C)c1O ZINC000012759944 221226733 /nfs/dbraw/zinc/22/67/33/221226733.db2.gz UPISSGSHWSJJOI-UHFFFAOYSA-N 0 3 390.487 3.946 40 0 GHABHN COc1ccc([C@H]2CN(Cc3cccc(F)c3)[C@@H]3CCCN(C(C)=O)[C@@H]32)cc1 ZINC000019017760 221393657 /nfs/dbraw/zinc/39/36/57/221393657.db2.gz GDOZUXQCIYWITP-DNVJHFABSA-N 0 3 382.479 3.813 40 0 GHABHN COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4cccc(OC)c4)[C@@H]32)cc1 ZINC000019019364 221395006 /nfs/dbraw/zinc/39/50/06/221395006.db2.gz ODICQHDGNMUPNW-WXFUMESZSA-N 0 3 394.515 3.683 40 0 GHABHN Cc1c(CN2CCC(c3ccc(Nc4cccc(C)n4)cn3)CC2)cnn1C ZINC000072374234 222243486 /nfs/dbraw/zinc/24/34/86/222243486.db2.gz VNZUAKAHDBVCRM-UHFFFAOYSA-N 0 3 376.508 3.950 40 0 GHABHN CNc1cc(Nc2nccc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)n2)ncn1 ZINC000072377416 222244509 /nfs/dbraw/zinc/24/45/09/222244509.db2.gz UJHNGTNUTSNWLI-MRXNPFEDSA-N 0 3 393.470 3.571 40 0 GHABHN CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(CC[C@@H](C)c1ccccc1)C2 ZINC000072390851 222247550 /nfs/dbraw/zinc/24/75/50/222247550.db2.gz RZJOEOAPSTZYRM-VGSWGCGISA-N 0 3 378.520 3.712 40 0 GHABHN Fc1ccc(-c2cnc3n2CCNC32CCN(Cc3ccccc3)CC2)cc1 ZINC000096145056 222387946 /nfs/dbraw/zinc/38/79/46/222387946.db2.gz VHUMFFVGRYDLQH-UHFFFAOYSA-N 0 3 376.479 3.784 40 0 GHABHN CCCc1ccc2[nH]c(=O)c(CNc3ccc(N4CCN(C)CC4)cc3)cc2c1 ZINC000013562998 535427174 /nfs/dbraw/zinc/42/71/74/535427174.db2.gz KHZJMJRCRCVRFA-UHFFFAOYSA-N 0 3 390.531 3.845 40 0 GHABHN COCCNc1ncccc1-c1noc([C@@H]2CCCN2CC2CCCCC2)n1 ZINC000035424864 560080399 /nfs/dbraw/zinc/08/03/99/560080399.db2.gz WBUSDXBLIWGTOR-SFHVURJKSA-N 0 3 385.512 3.907 40 0 biogenic,in-vitro GHABHN COc1ccc(CN2CC[C@H](c3nnc(COc4ccc(F)cc4)o3)C2)cc1 ZINC000049170367 560084431 /nfs/dbraw/zinc/08/44/31/560084431.db2.gz GQCQTKATUMFSSC-INIZCTEOSA-N 0 3 383.423 3.786 40 0 biogenic,in-vitro GHABHN Cc1cc(Nc2cc(-c3cccnc3)nc(NCCN(C)C)n2)ccc1Cl ZINC000329043629 570214843 /nfs/dbraw/zinc/21/48/43/570214843.db2.gz SSVJIKDUUQWAIJ-UHFFFAOYSA-N 0 3 382.899 3.639 40 0 GHABHN CN(C)CCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(C2CC2)n1 ZINC000329068319 570216354 /nfs/dbraw/zinc/21/63/54/570216354.db2.gz YPHLORUWGLAFMD-UHFFFAOYSA-N 0 3 399.848 3.587 40 0 GHABHN Cc1ccc(Cl)c(OC[C@]2(O)CCCN(Cc3ccc4[nH]cnc4c3)C2)c1 ZINC000585270145 570238790 /nfs/dbraw/zinc/23/87/90/570238790.db2.gz GXLSLUXGNVRIAQ-NRFANRHFSA-N 0 3 385.895 3.931 40 0 GHABHN Cc1ccc(Cl)c(OC[C@]2(O)CCCN(Cc3ccc4nc[nH]c4c3)C2)c1 ZINC000585270145 570238793 /nfs/dbraw/zinc/23/87/93/570238793.db2.gz GXLSLUXGNVRIAQ-NRFANRHFSA-N 0 3 385.895 3.931 40 0 GHABHN CCOCCOc1ccc(CN2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000585271731 570241949 /nfs/dbraw/zinc/24/19/49/570241949.db2.gz GYXDCZJJNAEHSJ-HSZRJFAPSA-N 0 3 385.504 3.508 40 0 GHABHN Cc1cc(C)c2[nH]c(=O)c(CNC[C@@H](O)COc3cccc(C)c3C)cc2c1 ZINC000585283775 570251743 /nfs/dbraw/zinc/25/17/43/570251743.db2.gz HMKVVZAXEXNBHE-HXUWFJFHSA-N 0 3 380.488 3.704 40 0 GHABHN Cc1cc(C)c2[nH]c(=O)c(CNC[C@@H](O)COc3ccc(C)c(C)c3)cc2c1 ZINC000585283795 570251935 /nfs/dbraw/zinc/25/19/35/570251935.db2.gz HREGKUAZIQNRKM-HXUWFJFHSA-N 0 3 380.488 3.704 40 0 GHABHN COc1ccc(CN[C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)cc1OC ZINC000585288961 570256688 /nfs/dbraw/zinc/25/66/88/570256688.db2.gz CDLLWLNASMWJQQ-FBBABVLZSA-N 0 3 391.895 3.808 40 0 GHABHN O=C1C[C@@H](NCCc2ccccc2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000022079883 570305739 /nfs/dbraw/zinc/30/57/39/570305739.db2.gz RSHZWDMMMKXUTH-MRXNPFEDSA-N 0 3 396.796 3.823 40 0 GHABHN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000222908945 570431013 /nfs/dbraw/zinc/43/10/13/570431013.db2.gz WONLZGWCKMMDFA-WOJBJXKFSA-N 0 3 377.517 3.896 40 0 GHABHN O=C(NC[C@H]1CCCN2CCCC[C@H]12)c1ccccc1C(=O)c1ccccc1 ZINC000005681730 570451385 /nfs/dbraw/zinc/45/13/85/570451385.db2.gz NRVVTWYCFPNSTQ-DENIHFKCSA-N 0 3 376.500 3.912 40 0 GHABHN CCOc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N(C)C)cc1 ZINC000028296062 570457705 /nfs/dbraw/zinc/45/77/05/570457705.db2.gz DWWLVZSEIPDJRP-FQEVSTJZSA-N 0 3 379.460 3.773 40 0 GHABHN COc1cc2c(c(Oc3cc4c(cc3OC)CCN(C)[C@H]4C)c1O)[C@@H](C)NCC2 ZINC000033778578 570528616 /nfs/dbraw/zinc/52/86/16/570528616.db2.gz YEMKSFIYOHUWLM-KGLIPLIRSA-N 0 3 398.503 3.957 40 0 GHABHN O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000225014601 570543671 /nfs/dbraw/zinc/54/36/71/570543671.db2.gz DNSUPGMXONJXDU-IBGZPJMESA-N 0 3 397.494 3.513 40 0 GHABHN CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038854369 570588535 /nfs/dbraw/zinc/58/85/35/570588535.db2.gz DUWGANSQZOLMHU-SFHVURJKSA-N 0 3 397.494 3.815 40 0 GHABHN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038858730 570588606 /nfs/dbraw/zinc/58/86/06/570588606.db2.gz GKRFVQVFQQJLSF-KRWDZBQOSA-N 0 3 386.879 3.597 40 0 GHABHN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(C)CCN2CCCCC2)s1 ZINC000012360912 570645617 /nfs/dbraw/zinc/64/56/17/570645617.db2.gz RZXSWQNBVBDOJH-UHFFFAOYSA-N 0 3 375.513 3.744 40 0 GHABHN Cc1cc(C)cc(-c2ccc(CC3(C(=O)NCCN(C)C)CCOCC3)cc2)c1 ZINC000257256553 570771001 /nfs/dbraw/zinc/77/10/01/570771001.db2.gz KLYNROFHYXEQPA-UHFFFAOYSA-N 0 3 394.559 3.988 40 0 GHABHN CO[C@H]1CC[C@H](C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)CC1 ZINC000257329455 570908931 /nfs/dbraw/zinc/90/89/31/570908931.db2.gz XKBNARBFDIVIGB-SLWLFXMRSA-N 0 3 386.536 3.514 40 0 GHABHN O=C(CCc1ccc(Cl)cc1)N1CCC[C@]2(CCN2C[C@@H]2CCCO2)C1 ZINC000585101803 570927471 /nfs/dbraw/zinc/92/74/71/570927471.db2.gz HKSXFUCULRDLJV-FPOVZHCZSA-N 0 3 376.928 3.519 40 0 GHABHN Fc1ccc(CN2CCC(n3cnc4ncc(-c5cccnc5)nc43)CC2)cc1 ZINC000306130279 570939261 /nfs/dbraw/zinc/93/92/61/570939261.db2.gz JAZYVXHMECTDHI-UHFFFAOYSA-N 0 3 388.450 3.865 40 0 GHABHN CCCC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000020140904 570942018 /nfs/dbraw/zinc/94/20/18/570942018.db2.gz GLZNTKRMYFXVCL-QFIPXVFZSA-N 0 3 396.583 3.903 40 0 GHABHN COc1ccc(CN2CC[C@@]3(C2)Cn2c(-c4ccc(F)cc4)cnc2CO3)cc1 ZINC000306137612 570943351 /nfs/dbraw/zinc/94/33/51/570943351.db2.gz RBJPBJMLFJDUNP-HSZRJFAPSA-N 0 3 393.462 3.873 40 0 GHABHN c1csc(-c2cnc3n2CC[C@@]32CCN(Cc3ccc4c(c3)OCO4)C2)c1 ZINC000306140115 570944381 /nfs/dbraw/zinc/94/43/81/570944381.db2.gz UKKVCSBXYMLJBM-OAQYLSRUSA-N 0 3 379.485 3.888 40 0 GHABHN COc1ccc(CN2Cc3c(nc(C)n3C(C)C)C3(CCN(C)CC3)C2)cc1 ZINC000306141144 570945108 /nfs/dbraw/zinc/94/51/08/570945108.db2.gz VMJFFSCTFHAJRL-UHFFFAOYSA-N 0 3 382.552 3.760 40 0 GHABHN NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2ccncc2)C1 ZINC000019333526 570975506 /nfs/dbraw/zinc/97/55/06/570975506.db2.gz NNDLQSRRMIZMOX-QFIPXVFZSA-N 0 3 377.513 3.730 40 0 GHABHN CCOc1cc(CN2Cc3ccccc3OC3(CCN(C)CC3)C2)ccc1OC ZINC000019532135 570999232 /nfs/dbraw/zinc/99/92/32/570999232.db2.gz OSDWCRNUAOCGGM-UHFFFAOYSA-N 0 3 396.531 3.953 40 0 GHABHN Cc1ncc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)c(C)n1 ZINC000019552518 571002001 /nfs/dbraw/zinc/00/20/01/571002001.db2.gz BQNLKABRNSVNHX-BDTNDASRSA-N 0 3 378.520 3.576 40 0 GHABHN Cc1c2ccccc2oc1C(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019566164 571007548 /nfs/dbraw/zinc/00/75/48/571007548.db2.gz MQBCIWOIYABFSF-IBGZPJMESA-N 0 3 390.487 3.887 40 0 GHABHN Cc1c(CN2CC[C@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)cnn1C ZINC000019704538 856425109 /nfs/dbraw/zinc/42/51/09/856425109.db2.gz AAYHCOKGWOKUIC-HNNXBMFYSA-N 0 3 385.899 3.674 40 0 GHABHN Cc1ccccc1OC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044852530 856442497 /nfs/dbraw/zinc/44/24/97/856442497.db2.gz XAJDMVMWLBNLBV-QUCCMNQESA-N 0 3 384.495 3.930 40 0 GHABHN CCn1c2ccc(C)cc2cc(CNc2ccc(N3CCN(C)CC3)cc2)c1=O ZINC000013564234 212117362 /nfs/dbraw/zinc/11/73/62/212117362.db2.gz CQRBNDFTSBPMFC-UHFFFAOYSA-N 0 3 390.531 3.694 40 0 GHABHN O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccccc1CN1CCCCC1 ZINC000007850068 221014594 /nfs/dbraw/zinc/01/45/94/221014594.db2.gz XMSKPTJDTSMTOL-PKNBQFBNSA-N 0 3 378.472 3.731 40 0 GHABHN C[C@@H]1C[C@@H](C)C[NH+](CCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000010544058 221105103 /nfs/dbraw/zinc/10/51/03/221105103.db2.gz NVIOCQOGJZGUAS-CHWSQXEVSA-N 0 3 379.353 3.640 40 0 GHABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1ccc(F)cc1 ZINC000012292725 221175733 /nfs/dbraw/zinc/17/57/33/221175733.db2.gz PCXVPJDVCBCGEO-RBUKOAKNSA-N 0 3 391.870 3.863 40 0 GHABHN CC(=O)NC1(c2ccccc2F)CCN(Cc2ccccc2-n2cccn2)CC1 ZINC000012293047 221176503 /nfs/dbraw/zinc/17/65/03/221176503.db2.gz UIPZMQCRSZMYMS-UHFFFAOYSA-N 0 3 392.478 3.639 40 0 GHABHN Cc1c(CN2CCC(O)(c3ccccc3F)CC2)c2ccccc2n1CCO ZINC000012363537 221184897 /nfs/dbraw/zinc/18/48/97/221184897.db2.gz TYKGJDSRZDSYGN-UHFFFAOYSA-N 0 3 382.479 3.565 40 0 GHABHN COc1cccc(CN2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)c1OC ZINC000012232123 221171789 /nfs/dbraw/zinc/17/17/89/221171789.db2.gz OKZIORZAOUGDCH-UHFFFAOYSA-N 0 3 379.460 3.732 40 0 GHABHN Cn1nc(C(C)(C)C)cc1C(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C ZINC000019083788 221396960 /nfs/dbraw/zinc/39/69/60/221396960.db2.gz CLVONKPJLCVEEJ-DBXWQHBBSA-N 0 3 398.526 3.559 40 0 GHABHN CC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN1CCN(C)CC1 ZINC000022576631 221563436 /nfs/dbraw/zinc/56/34/36/221563436.db2.gz DQVIJOCOLCADKE-RDPSFJRHSA-N 0 3 380.532 3.571 40 0 GHABHN Cc1nccn1-c1cccc([C@@H]2CCCN(CCOc3ccc(F)cc3)C2)n1 ZINC000072379225 222244663 /nfs/dbraw/zinc/24/46/63/222244663.db2.gz NAJLGQHFJXGLJQ-GOSISDBHSA-N 0 3 380.467 3.973 40 0 GHABHN CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(Cc1ccc(F)cc1)CCC2 ZINC000096056045 222376167 /nfs/dbraw/zinc/37/61/67/222376167.db2.gz BLDBCYAZHUVPHF-CVDCTZTESA-N 0 3 397.494 3.502 40 0 GHABHN COc1ccc2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@@H]1C(Br)=CC=C3C ZINC000253504282 560038381 /nfs/dbraw/zinc/03/83/81/560038381.db2.gz FCXBYZRFHRNZPT-FNHZYXHNSA-N 0 3 376.294 3.754 40 0 biogenic,in-vitro GHABHN Cc1ccccc1CN1CC[C@@]2(C1)COCc1c(C)nc(NCC3CC3)nc12 ZINC000096244514 570223607 /nfs/dbraw/zinc/22/36/07/570223607.db2.gz JKQIGUSFTJLNBT-HSZRJFAPSA-N 0 3 378.520 3.589 40 0 GHABHN Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(Cc3ccc4[nH]cnc4c3)C2)c1 ZINC000585270148 570238712 /nfs/dbraw/zinc/23/87/12/570238712.db2.gz GXLSLUXGNVRIAQ-OAQYLSRUSA-N 0 3 385.895 3.931 40 0 GHABHN Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(Cc3ccc4nc[nH]c4c3)C2)c1 ZINC000585270148 570238715 /nfs/dbraw/zinc/23/87/15/570238715.db2.gz GXLSLUXGNVRIAQ-OAQYLSRUSA-N 0 3 385.895 3.931 40 0 GHABHN Cc1cc(C)c2[nH]c(=O)c(CNC[C@H](O)COc3cccc(C)c3C)cc2c1 ZINC000585283774 570251847 /nfs/dbraw/zinc/25/18/47/570251847.db2.gz HMKVVZAXEXNBHE-FQEVSTJZSA-N 0 3 380.488 3.704 40 0 GHABHN CC1CCN(Cc2ccc(C(=O)NCc3nc(-c4ccccc4)no3)cc2)CC1 ZINC000219235400 570350140 /nfs/dbraw/zinc/35/01/40/570350140.db2.gz HZHHEQDUBJHFAC-UHFFFAOYSA-N 0 3 390.487 3.899 40 0 GHABHN COc1cc(C)c(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)cc1C(C)C ZINC000223600717 570473781 /nfs/dbraw/zinc/47/37/81/570473781.db2.gz XJUDUAMBOOREJL-MRXNPFEDSA-N 0 3 382.570 3.527 40 0 GHABHN O=C(NCCOc1ccccc1Cl)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000224552522 570518167 /nfs/dbraw/zinc/51/81/67/570518167.db2.gz KJSDSSDULZCVLG-UHFFFAOYSA-N 0 3 390.886 3.886 40 0 GHABHN Fc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=S)NCc2ccco2)C3)cc1 ZINC000035310754 570551039 /nfs/dbraw/zinc/55/10/39/570551039.db2.gz PKLSEMYZFCZBQM-YQQQUEKLSA-N 0 3 387.524 3.969 40 0 GHABHN Cc1ccc(CN(CCCn2ccnc2)Cc2c[nH]cc3c(Cl)nnc2-3)o1 ZINC000043277777 570626772 /nfs/dbraw/zinc/62/67/72/570626772.db2.gz XRWBTUGDIOAROJ-UHFFFAOYSA-N 0 3 384.871 3.802 40 0 GHABHN O=C1Nc2nc(-c3c([O-])cccc3OCC3CC3)cc([C@@H]3CCC[NH2+]C3)c2CO1 ZINC000003817307 570700814 /nfs/dbraw/zinc/70/08/14/570700814.db2.gz IGJVFGZEWDGDOO-CQSZACIVSA-N 0 3 395.459 3.772 40 0 GHABHN Cn1cncc1CN1CCC2(CC1)CO[C@@H]1c3ccccc3OC(C)(C)[C@H]1C2 ZINC000257219797 570762774 /nfs/dbraw/zinc/76/27/74/570762774.db2.gz DIFGROPIFYUYFJ-PZJWPPBQSA-N 0 3 381.520 3.951 40 0 GHABHN CC(=O)Nc1cc(CCC2CCN(Cc3ccc4nccnc4c3)CC2)ccn1 ZINC000257265619 570772587 /nfs/dbraw/zinc/77/25/87/570772587.db2.gz LZMGLRDQFMGZRW-UHFFFAOYSA-N 0 3 389.503 3.828 40 0 GHABHN Cc1ccc(CN2CCC(n3cnc4ncc(-c5ccc(F)nc5)nc43)CC2)o1 ZINC000306129697 570938384 /nfs/dbraw/zinc/93/83/84/570938384.db2.gz IKJLCSPSVITNAT-UHFFFAOYSA-N 0 3 392.438 3.766 40 0 GHABHN Cc1ncsc1CN1CC[C@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 ZINC000306143275 570946314 /nfs/dbraw/zinc/94/63/14/570946314.db2.gz XXQHZCPSAYJRKX-FQEVSTJZSA-N 0 3 384.480 3.629 40 0 GHABHN CCn1cc([C@H](NC(=O)[C@@H](N)CC(C)C)c2ccc(F)cc2)c2ccncc21 ZINC000019524810 570996728 /nfs/dbraw/zinc/99/67/28/570996728.db2.gz APMNGZJCEGBCIP-PZJWPPBQSA-N 0 3 382.483 3.774 40 0 GHABHN COc1ccccc1CN1CCC([C@H](NC(=O)C2CC2)c2ccccn2)CC1 ZINC000019570093 571009746 /nfs/dbraw/zinc/00/97/46/571009746.db2.gz TXCFIMYIWUMDIH-QFIPXVFZSA-N 0 3 379.504 3.570 40 0 GHABHN CN(C)CCn1nc([C@@H]2CCN(C(=O)CCC3CCCCC3)C2)c2cccnc21 ZINC000019583163 571014180 /nfs/dbraw/zinc/01/41/80/571014180.db2.gz IOGXASTWGSUACY-LJQANCHMSA-N 0 3 397.567 3.669 40 0 GHABHN COc1cc2c(cc1CN1CCCC[C@H]1c1ncc3c(n1)CCN(C)C3)CCC2 ZINC000019590323 571017325 /nfs/dbraw/zinc/01/73/25/571017325.db2.gz CEMKSSMTNLBHHJ-QFIPXVFZSA-N 0 3 392.547 3.689 40 0 GHABHN Fc1cccc(-c2ccc(CN3CCC[C@H]3c3nnc4n3CCNCC4)cc2)c1 ZINC000019710755 571034646 /nfs/dbraw/zinc/03/46/46/571034646.db2.gz UHUVCMXRFZSHON-NRFANRHFSA-N 0 3 391.494 3.567 40 0 GHABHN CNc1cc(CN(C)Cc2cccc3ncccc23)nc([C@@H]2CCCCN2)n1 ZINC000019709941 860328285 /nfs/dbraw/zinc/32/82/85/860328285.db2.gz KFNKINDUYUYQBE-FQEVSTJZSA-N 0 3 376.508 3.513 40 0 GHABHN O=C(OCCN1C2CCCC1CCC2)C(O)(c1ccccc1)c1ccccc1 ZINC000001640668 212251448 /nfs/dbraw/zinc/25/14/48/212251448.db2.gz HNVBUDCGAROXSW-UHFFFAOYSA-N 0 3 379.500 3.873 40 0 GHABHN COc1ccc(C[C@H]2NCCc3cc(OC)c(OC)cc32)cc1Br ZINC000001624023 212250898 /nfs/dbraw/zinc/25/08/98/212250898.db2.gz YSOCJYPSQCCGNA-MRXNPFEDSA-N 0 3 392.293 3.904 40 0 GHABHN CCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293693 221175391 /nfs/dbraw/zinc/17/53/91/221175391.db2.gz GOXDKFVCTRRDGZ-FGZHOGPDSA-N 0 3 397.515 3.778 40 0 GHABHN Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1C ZINC000012293537 221175766 /nfs/dbraw/zinc/17/57/66/221175766.db2.gz VDORHKNLOZMKFB-SFTDATJTSA-N 0 3 385.479 3.827 40 0 GHABHN CCOc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293690 221175953 /nfs/dbraw/zinc/17/59/53/221175953.db2.gz GOXDKFVCTRRDGZ-YADHBBJMSA-N 0 3 397.515 3.778 40 0 GHABHN COc1ccc([C@H](O)CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000012292488 221176496 /nfs/dbraw/zinc/17/64/96/221176496.db2.gz JUIMGUNYGANURK-LJQANCHMSA-N 0 3 395.421 3.731 40 0 GHABHN Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1C ZINC000012293533 221176664 /nfs/dbraw/zinc/17/66/64/221176664.db2.gz VDORHKNLOZMKFB-RTWAWAEBSA-N 0 3 385.479 3.827 40 0 GHABHN CC[C@H](CN1CCCC1)NC(=O)Cc1csc(Nc2ccccc2F)n1 ZINC000012362856 221185312 /nfs/dbraw/zinc/18/53/12/221185312.db2.gz JOYCFDVCFQLQGW-CQSZACIVSA-N 0 3 376.501 3.559 40 0 GHABHN COc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)C(C)C)c3nccs3)C2)c1 ZINC000012408166 221190255 /nfs/dbraw/zinc/19/02/55/221190255.db2.gz IVCPPTPTNOGADB-IEBWSBKVSA-N 0 3 387.549 3.877 40 0 GHABHN O=C(c1ccc(CN2CCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000013683030 221281084 /nfs/dbraw/zinc/28/10/84/221281084.db2.gz ZQJRUQLOLJSXSP-UHFFFAOYSA-N 0 3 383.923 3.898 40 0 GHABHN Cc1ccc2[nH]c(=O)c(CNc3ccc(N4CCN(C)CC4)cc3C)cc2c1 ZINC000013565084 136201069 /nfs/dbraw/zinc/20/10/69/136201069.db2.gz JSIXPBXDAUZTDX-UHFFFAOYSA-N 0 3 376.504 3.509 40 0 GHABHN O=C1N[C@@]2(COC3(C2)CCN(Cc2ccccc2)CC3)Nc2ccc(Cl)cc21 ZINC000072325566 222227995 /nfs/dbraw/zinc/22/79/95/222227995.db2.gz MNRDFDYZSICUPX-QFIPXVFZSA-N 0 3 397.906 3.647 40 0 GHABHN NC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2cccc3cccnc32)C1 ZINC000072352541 222237967 /nfs/dbraw/zinc/23/79/67/222237967.db2.gz WZUDIVDGTBRGGG-OAHLLOKOSA-N 0 3 388.496 3.933 40 0 GHABHN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1ccnn1C ZINC000072370753 222240944 /nfs/dbraw/zinc/24/09/44/222240944.db2.gz TUUNAPKIXBXTPQ-INIZCTEOSA-N 0 3 396.560 3.982 40 0 GHABHN Cn1cnc2c1cc(C1CCN(Cc3ccccn3)CC1)nc2-c1cccnc1 ZINC000096099950 222379972 /nfs/dbraw/zinc/37/99/72/222379972.db2.gz HIDUIBYRBXLFSL-UHFFFAOYSA-N 0 3 384.487 3.805 40 0 GHABHN CCC[C@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000020142137 570243001 /nfs/dbraw/zinc/24/30/01/570243001.db2.gz MNNNWKWJEIMUJC-JOCHJYFZSA-N 0 3 396.583 3.707 40 0 GHABHN CC(C)c1cc(C(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)N(C)C)CC2)[nH]n1 ZINC000100750237 570276356 /nfs/dbraw/zinc/27/63/56/570276356.db2.gz PBUXOSXRSYECEW-FVJLSDCUSA-N 0 3 383.540 3.767 40 0 GHABHN COc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000039763578 570445885 /nfs/dbraw/zinc/44/58/85/570445885.db2.gz IIBIJIBUDMDLCI-UHFFFAOYSA-N 0 3 380.532 3.965 40 0 GHABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000225006647 570543089 /nfs/dbraw/zinc/54/30/89/570543089.db2.gz TZQILHMXPWDSGD-UHFFFAOYSA-N 0 3 393.531 3.682 40 0 GHABHN Cn1c(=O)sc2cc(NC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)ccc21 ZINC000225064911 570546214 /nfs/dbraw/zinc/54/62/14/570546214.db2.gz FJPZEUNGJPKSEI-OAHLLOKOSA-N 0 3 399.491 3.590 40 0 GHABHN C[C@@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1ccnc2ccc(Cl)cc12 ZINC000057810284 570703799 /nfs/dbraw/zinc/70/37/99/570703799.db2.gz ACQAOSMWXURCCY-CQSZACIVSA-N 0 3 384.863 4.000 40 0 GHABHN O=C(CN1CCCCCC1)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257307529 570778991 /nfs/dbraw/zinc/77/89/91/570778991.db2.gz SZCDBRMAVFMFHP-FQEVSTJZSA-N 0 3 381.520 3.847 40 0 GHABHN CC1(C(=O)NC2CC3(C2)CCN(Cc2ccc(OCC(F)F)cc2)CC3)CC1 ZINC000585102735 570931170 /nfs/dbraw/zinc/93/11/70/570931170.db2.gz CJFDQHYXRBYYSL-UHFFFAOYSA-N 0 3 392.490 3.991 40 0 GHABHN COc1ccc(CN2CC[C@@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)cc1 ZINC000306130248 570939387 /nfs/dbraw/zinc/93/93/87/570939387.db2.gz IZYVSAWKRKLLCE-OAQYLSRUSA-N 0 3 381.501 3.795 40 0 GHABHN Cc1ncsc1CN1CC[C@@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 ZINC000306143276 570946263 /nfs/dbraw/zinc/94/62/63/570946263.db2.gz XXQHZCPSAYJRKX-HXUWFJFHSA-N 0 3 384.480 3.629 40 0 GHABHN COc1ccc(CN2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 ZINC000306143350 570946644 /nfs/dbraw/zinc/94/66/44/570946644.db2.gz XZZHCGVZBOQQTL-HXUWFJFHSA-N 0 3 385.471 3.789 40 0 GHABHN Cc1ccc2oc(C(=O)N3CCC[C@H](c4ncc5c(n4)CCN(C)C5)C3)cc2c1 ZINC000019221304 570963250 /nfs/dbraw/zinc/96/32/50/570963250.db2.gz YLOADJWRNDPFKS-INIZCTEOSA-N 0 3 390.487 3.539 40 0 GHABHN COc1ccc2[nH]c(CN3C[C@@H]4CC[C@@](O)(c5ncccc5C)[C@@H]4C3)c(C)c2c1 ZINC000019237697 570967347 /nfs/dbraw/zinc/96/73/47/570967347.db2.gz TVNYQKNCKNUKFA-IQOKHDRSSA-N 0 3 391.515 3.918 40 0 GHABHN Cn1nc(C2CC2)cc1C(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C ZINC000019288830 570971044 /nfs/dbraw/zinc/97/10/44/570971044.db2.gz NRTQKEQXUKIMLB-KJXAQDMKSA-N 0 3 392.547 3.780 40 0 GHABHN CCn1cc([C@@H](NC(=O)[C@@H](N)CC(C)C)c2ccc(F)cc2)c2ccncc21 ZINC000019524809 570996863 /nfs/dbraw/zinc/99/68/63/570996863.db2.gz APMNGZJCEGBCIP-FPOVZHCZSA-N 0 3 382.483 3.774 40 0 GHABHN Cc1c(-c2cc(C(=O)Nc3ccccc3CN3CCCCC3)on2)cnn1C ZINC000019554261 571002475 /nfs/dbraw/zinc/00/24/75/571002475.db2.gz VZCMAJAKAPKAGR-UHFFFAOYSA-N 0 3 379.464 3.622 40 0 GHABHN Cc1cc(C)n(CCCC(=O)Nc2ccccc2CN2CCCCCC2)c(=O)n1 ZINC000019572613 571010712 /nfs/dbraw/zinc/01/07/12/571010712.db2.gz WESAUEMNLBITCN-UHFFFAOYSA-N 0 3 396.535 3.655 40 0 GHABHN CNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2ccccn2)C1 ZINC000019591756 571019309 /nfs/dbraw/zinc/01/93/09/571019309.db2.gz BVETXYIOKUQKSV-HSZRJFAPSA-N 0 3 391.540 3.991 40 0 GHABHN CN1CCN(Cc2ccc(-c3ccccc3)cc2)C[C@@H](Cc2ccccn2)C1=O ZINC000019696811 860324120 /nfs/dbraw/zinc/32/41/20/860324120.db2.gz IFQVQYWUZKSAAK-HSZRJFAPSA-N 0 3 385.511 3.882 40 0 GHABHN O=C(CN1CCCCCC1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257286491 222770061 /nfs/dbraw/zinc/77/00/61/222770061.db2.gz PLTOUIDMHGYXEO-LJQANCHMSA-N 0 3 399.510 3.987 40 0 GHABHN COc1ccc(CN2C[C@@H]3CN(Cc4ccc(F)cc4)CCN3C(C)(C)C2)cc1 ZINC000253396275 212135586 /nfs/dbraw/zinc/13/55/86/212135586.db2.gz DMAPXSDKMTXHSL-QFIPXVFZSA-N 0 3 397.538 3.615 40 0 biogenic,in-vitro GHABHN CCOc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc1OC ZINC000012135089 221157375 /nfs/dbraw/zinc/15/73/75/221157375.db2.gz JZYNCVGSJGEKOE-LIMIJEPZSA-N 0 3 382.504 3.609 40 0 GHABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(C)c(C)c3)CC1)C[C@H]2O ZINC000012293504 221175748 /nfs/dbraw/zinc/17/57/48/221175748.db2.gz ODYPCQLMKNRRSJ-YADHBBJMSA-N 0 3 397.515 3.696 40 0 GHABHN CCOc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293694 221176057 /nfs/dbraw/zinc/17/60/57/221176057.db2.gz GOXDKFVCTRRDGZ-VXKWHMMOSA-N 0 3 397.515 3.778 40 0 GHABHN Cc1c(CN2CCC(O)(c3ccccc3F)CC2)c2ccccc2n1CCCO ZINC000012363539 221185393 /nfs/dbraw/zinc/18/53/93/221185393.db2.gz CHFGHDXIAQBJLM-UHFFFAOYSA-N 0 3 396.506 3.955 40 0 GHABHN O=C([C@H]1CCCN(Cc2ccncc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000005813983 526537374 /nfs/dbraw/zinc/53/73/74/526537374.db2.gz ZAJBBSLDNHIDGQ-QHCPKHFHSA-N 0 3 377.532 3.775 40 0 GHABHN Cc1cc(C)n(CCOc2ccc(CN(C)C[C@@H](O)c3ccccc3)cc2)n1 ZINC000585270124 570238678 /nfs/dbraw/zinc/23/86/78/570238678.db2.gz GIOFIGLTJBYSAG-HSZRJFAPSA-N 0 3 379.504 3.744 40 0 GHABHN COc1cc(CN[C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)cc(OC)c1 ZINC000585289649 570257429 /nfs/dbraw/zinc/25/74/29/570257429.db2.gz UCHMBBAMBGLMQD-PWRODBHTSA-N 0 3 391.895 3.808 40 0 GHABHN Cc1cccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)/C=C/CN(C)C)C3)c2)n1 ZINC000585291316 570259734 /nfs/dbraw/zinc/25/97/34/570259734.db2.gz AYMUNKRAJVCBBY-SSVWKNEZSA-N 0 3 393.535 3.661 40 0 GHABHN COc1ccc(CN2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)cc1 ZINC000105983281 570306278 /nfs/dbraw/zinc/30/62/78/570306278.db2.gz MIKSKFZKIUWBQP-XMMPIXPASA-N 0 3 387.483 3.826 40 0 GHABHN COc1ccc(CCCNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000039748566 570446973 /nfs/dbraw/zinc/44/69/73/570446973.db2.gz NFXPAOOXQSNHIE-UHFFFAOYSA-N 0 3 380.532 3.965 40 0 GHABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 ZINC000223289353 570456214 /nfs/dbraw/zinc/45/62/14/570456214.db2.gz FMBLUBSTGDJFPA-NHCUHLMSSA-N 0 3 397.592 3.922 40 0 GHABHN Cc1noc(C)c1COc1ccc(CN(C)C[C@@H](O)COc2ccccc2)cc1 ZINC000257284667 570488938 /nfs/dbraw/zinc/48/89/38/570488938.db2.gz PDSMXPYNYHSFFN-HXUWFJFHSA-N 0 3 396.487 3.742 40 0 GHABHN CCOc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1OCC ZINC000032398977 570510414 /nfs/dbraw/zinc/51/04/14/570510414.db2.gz PCAANELHLSOSIN-UHFFFAOYSA-N 0 3 382.504 3.662 40 0 GHABHN O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000038851353 570587768 /nfs/dbraw/zinc/58/77/68/570587768.db2.gz CVAOYNGFRUQTQJ-LJQANCHMSA-N 0 3 399.485 3.526 40 0 GHABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1F ZINC000101026864 570603324 /nfs/dbraw/zinc/60/33/24/570603324.db2.gz IMEVDSRFMICGCF-HKBOAZHASA-N 0 3 388.398 3.877 40 0 GHABHN Cc1ccc(OC[C@@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000044852899 570636244 /nfs/dbraw/zinc/63/62/44/570636244.db2.gz MNROALBUVQOBLU-GOSISDBHSA-N 0 3 384.495 3.930 40 0 GHABHN CN1C(=O)CCC[C@]12CN(CCOc1ccccc1)C[C@H]2c1ccc(F)cc1 ZINC000257240230 570767883 /nfs/dbraw/zinc/76/78/83/570767883.db2.gz HSQXSFBHDYPBSN-JTHBVZDNSA-N 0 3 382.479 3.685 40 0 GHABHN Cc1c(CN2CCC(c3cccc(Nc4cccc(C)n4)n3)CC2)cnn1C ZINC000257268579 570773158 /nfs/dbraw/zinc/77/31/58/570773158.db2.gz MMHGLKKRLFCZQI-UHFFFAOYSA-N 0 3 376.508 3.950 40 0 GHABHN O=C(CN1CCCCCC1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257286490 570776007 /nfs/dbraw/zinc/77/60/07/570776007.db2.gz PLTOUIDMHGYXEO-IBGZPJMESA-N 0 3 399.510 3.987 40 0 GHABHN CCCOc1ccccc1-c1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C)[nH]n1 ZINC000257299792 570778108 /nfs/dbraw/zinc/77/81/08/570778108.db2.gz RRPSYRWACQDQDT-GMAHTHKFSA-N 0 3 396.535 3.954 40 0 GHABHN CN1CCC(C(=O)N2CCC[C@](C)(c3ncc(Cc4ccccc4F)o3)C2)CC1 ZINC000257301096 570778317 /nfs/dbraw/zinc/77/83/17/570778317.db2.gz RWZFLMFDKWOQFZ-QHCPKHFHSA-N 0 3 399.510 3.626 40 0 GHABHN CN(C)C(=O)c1sc2nccnc2c1C1CCN(Cc2ccccc2)CC1 ZINC000257314353 570780351 /nfs/dbraw/zinc/78/03/51/570780351.db2.gz UWPBXMTWOFZIJV-UHFFFAOYSA-N 0 3 380.517 3.773 40 0 GHABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCN(Cc4cnn(C)c4)C3)c2)c1 ZINC000257333729 570783465 /nfs/dbraw/zinc/78/34/65/570783465.db2.gz YCVCOCHUVXVDDL-GOSISDBHSA-N 0 3 377.492 3.865 40 0 GHABHN CCC[C@@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCCC2)CC1 ZINC000019501959 570927149 /nfs/dbraw/zinc/92/71/49/570927149.db2.gz KYIDZJIRUXDCMT-IBGZPJMESA-N 0 3 388.585 3.574 40 0 GHABHN O=C(CCc1ccc(Cl)cc1)N1CCC[C@@]2(CCN2C[C@H]2CCCO2)C1 ZINC000585101805 570927527 /nfs/dbraw/zinc/92/75/27/570927527.db2.gz HKSXFUCULRDLJV-TZIWHRDSSA-N 0 3 376.928 3.519 40 0 GHABHN COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCCN(Cc3ccc(C)o3)C1)O2 ZINC000019216594 570961866 /nfs/dbraw/zinc/96/18/66/570961866.db2.gz XBGUJROYZQFNJX-JPYJTQIMSA-N 0 3 398.503 3.618 40 0 GHABHN Cc1ccc2occ(CN3C[C@@H]4CCCN4C[C@H]3Cc3ccccc3)c(=O)c2c1 ZINC000019219851 570962727 /nfs/dbraw/zinc/96/27/27/570962727.db2.gz NUHYRBUQVIZZJC-FCHUYYIVSA-N 0 3 388.511 3.993 40 0 GHABHN c1csc(CN2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019343427 570977231 /nfs/dbraw/zinc/97/72/31/570977231.db2.gz VHWRQBDGNAMCPS-INIZCTEOSA-N 0 3 394.548 3.908 40 0 GHABHN COc1cccc(CN2CCC[C@@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)c1 ZINC000019496752 570990086 /nfs/dbraw/zinc/99/00/86/570990086.db2.gz DGGGXPGCZCYIGU-LJQANCHMSA-N 0 3 397.519 3.935 40 0 GHABHN CCCOc1ccccc1CN1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019525168 570996680 /nfs/dbraw/zinc/99/66/80/570996680.db2.gz UONNCGXVIHAYIO-OAQYLSRUSA-N 0 3 380.536 3.981 40 0 GHABHN COc1cccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CC2)c1 ZINC000019565414 571007653 /nfs/dbraw/zinc/00/76/53/571007653.db2.gz PGZGFTCUDKRIIJ-FKBYEOEOSA-N 0 3 396.556 3.983 40 0 GHABHN Cc1noc2nc(C)cc(C(=O)Nc3cc(C)ccc3OCCN3CCCC3)c12 ZINC000019715828 571037675 /nfs/dbraw/zinc/03/76/75/571037675.db2.gz XOAOUGDVRNJWON-UHFFFAOYSA-N 0 3 394.475 3.875 40 0 GHABHN Cc1ccccc1OC[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044852532 856443085 /nfs/dbraw/zinc/44/30/85/856443085.db2.gz XAJDMVMWLBNLBV-ICSRJNTNSA-N 0 3 384.495 3.930 40 0 GHABHN Cc1cc(C)cc(OCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000224095253 222649505 /nfs/dbraw/zinc/64/95/05/222649505.db2.gz VQRJQPRBIGREJN-UHFFFAOYSA-N 0 3 384.495 3.850 40 0 GHABHN CCOCCCNCc1cc(Br)cc(Br)c1OC ZINC000008253155 221033080 /nfs/dbraw/zinc/03/30/80/221033080.db2.gz LBTWGXJBZULTIG-UHFFFAOYSA-N 0 3 381.108 3.736 40 0 GHABHN CCOc1cc(CNC[C@H](C)O)cc(Br)c1OCc1ccccc1 ZINC000008254051 221033315 /nfs/dbraw/zinc/03/33/15/221033315.db2.gz RULXOYSQQQFUTO-AWEZNQCLSA-N 0 3 394.309 3.897 40 0 GHABHN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)CCC4)CC1)O2 ZINC000012330219 221182076 /nfs/dbraw/zinc/18/20/76/221182076.db2.gz XEBGHOWCYQJQCG-XZOQPEGZSA-N 0 3 393.527 3.868 40 0 GHABHN C[C@@H]1CCCN(c2ncc(-c3cncn3Cc3ccccc3CN(C)C)cn2)C1 ZINC000072391889 136169173 /nfs/dbraw/zinc/16/91/73/136169173.db2.gz FJYHZKOBKYUKSF-GOSISDBHSA-N 0 3 390.535 3.686 40 0 GHABHN COCCC(=O)N1CCC[C@H](c2cc(Nc3ccc(OC)cc3)cc(C)n2)C1 ZINC000072352033 222237841 /nfs/dbraw/zinc/23/78/41/222237841.db2.gz MIBJOJHDYKBNJC-KRWDZBQOSA-N 0 3 383.492 3.885 40 0 GHABHN CC(=O)N1CCC(N2CCC[C@H]2c2cccc(Cc3ccccc3F)n2)CC1 ZINC000072358187 222239248 /nfs/dbraw/zinc/23/92/48/222239248.db2.gz QXNNGLKUGZQYHO-QHCPKHFHSA-N 0 3 381.495 3.959 40 0 GHABHN COc1cccc(-c2noc([C@@H]3CCN(Cc4cccc(OC)c4OC)C3)n2)c1 ZINC000072369873 222241537 /nfs/dbraw/zinc/24/15/37/222241537.db2.gz ACHHEBQWIFEYIR-QGZVFWFLSA-N 0 3 395.459 3.752 40 0 GHABHN Fc1cccc(-c2ccc(CN3CCn4c(nnc4[C@H]4CCCN4)C3)cc2)c1 ZINC000072373965 222242906 /nfs/dbraw/zinc/24/29/06/222242906.db2.gz DLTOFWDZSICXMF-HXUWFJFHSA-N 0 3 377.467 3.525 40 0 GHABHN COc1cccc(-c2c[nH]nc2[C@H]2CCCN2C(=O)CN2CCCCCC2)c1 ZINC000072380346 222245103 /nfs/dbraw/zinc/24/51/03/222245103.db2.gz XKIQKYHNCBNGDQ-HXUWFJFHSA-N 0 3 382.508 3.625 40 0 GHABHN COc1cccc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)CN2CCCCCC2)c1 ZINC000072380345 222245592 /nfs/dbraw/zinc/24/55/92/222245592.db2.gz XKIQKYHNCBNGDQ-FQEVSTJZSA-N 0 3 382.508 3.625 40 0 GHABHN O=C(C[C@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052794 222375638 /nfs/dbraw/zinc/37/56/38/222375638.db2.gz CORUXRWWKZHZSR-IBGZPJMESA-N 0 3 394.515 3.550 40 0 GHABHN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000096061349 222376109 /nfs/dbraw/zinc/37/61/09/222376109.db2.gz TUZYSKYAGTZZOD-NRFANRHFSA-N 0 3 382.504 3.585 40 0 GHABHN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000096061348 222376813 /nfs/dbraw/zinc/37/68/13/222376813.db2.gz TUZYSKYAGTZZOD-OAQYLSRUSA-N 0 3 382.504 3.585 40 0 GHABHN O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CC(=O)Nc2ccccc21 ZINC000408575359 534700150 /nfs/dbraw/zinc/70/01/50/534700150.db2.gz KHCQDBGHUCSUNI-UHFFFAOYSA-N 0 3 397.478 3.844 40 0 GHABHN Clc1ccc(OCc2ccccc2Cl)c(CNCCN2CCOCC2)c1 ZINC000023468451 570363312 /nfs/dbraw/zinc/36/33/12/570363312.db2.gz YOJQOMCOEBNZEW-UHFFFAOYSA-N 0 3 395.330 3.994 40 0 GHABHN CCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1cc2c(cc1Cl)OCO2 ZINC000022931792 570379339 /nfs/dbraw/zinc/37/93/39/570379339.db2.gz GJLJSXFKTRYKIQ-GOSISDBHSA-N 0 3 387.911 3.950 40 0 GHABHN COc1cc(CN(CCN(C)C)Cc2cccnc2)ccc1OC1CCCC1 ZINC000022931651 570379484 /nfs/dbraw/zinc/37/94/84/570379484.db2.gz KVIYKKVOXKDVRJ-UHFFFAOYSA-N 0 3 383.536 3.975 40 0 GHABHN CCN(CC)C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)[C@H](COC)OC ZINC000004792383 570406012 /nfs/dbraw/zinc/40/60/12/570406012.db2.gz SWYKAZJQKQLLEF-YADHBBJMSA-N 0 3 399.531 3.734 40 0 GHABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 ZINC000223289032 570456276 /nfs/dbraw/zinc/45/62/76/570456276.db2.gz DRLCVYZRBBNDIO-VQTJNVASSA-N 0 3 383.565 3.532 40 0 GHABHN CC(C(=O)N[C@@H]1CCCC[C@@H]1C)S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000040105987 570457510 /nfs/dbraw/zinc/45/75/10/570457510.db2.gz GEMHHPVBFHHPKK-WOSRLPQWSA-N 0 3 391.455 3.704 40 0 GHABHN CC(C)(CN1CCCCC1)NC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1 ZINC000035316559 570470061 /nfs/dbraw/zinc/47/00/61/570470061.db2.gz PXSVQCXZJVXADP-UHFFFAOYSA-N 0 3 395.482 3.530 40 0 GHABHN Cn1nccc1-c1cc(C(=O)NCC(C)(C)N2CCCCC2)c2ccccc2n1 ZINC000035316604 570470467 /nfs/dbraw/zinc/47/04/67/570470467.db2.gz SJWLKRLOYYCDEA-UHFFFAOYSA-N 0 3 391.519 3.630 40 0 GHABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccccc1Cl ZINC000039964124 570594551 /nfs/dbraw/zinc/59/45/51/570594551.db2.gz KDSVNTNRYQIQLE-QGZVFWFLSA-N 0 3 380.835 3.769 40 0 GHABHN COc1ccc(CCCNC(=O)C2CCN(Cc3ccccc3)CC2)cc1OC ZINC000044851738 570636039 /nfs/dbraw/zinc/63/60/39/570636039.db2.gz ZRMSRHQBRLKUTG-UHFFFAOYSA-N 0 3 396.531 3.665 40 0 GHABHN O=C(CN1CCCCCC1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257227700 570764243 /nfs/dbraw/zinc/76/42/43/570764243.db2.gz FQMSQDPUDWOMMW-IBGZPJMESA-N 0 3 399.510 3.987 40 0 GHABHN O=C(Nc1cccc(OCCN2CCCC2)c1)c1n[nH]c2c1CCCCCC2 ZINC000257230416 570765214 /nfs/dbraw/zinc/76/52/14/570765214.db2.gz GCFHHZFNVQKZJW-UHFFFAOYSA-N 0 3 382.508 3.796 40 0 GHABHN COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)c1OCCN(C)C ZINC000257230390 570765305 /nfs/dbraw/zinc/76/53/05/570765305.db2.gz GCDBJBDHRVCEQM-UJEQOSBCSA-N 0 3 389.536 3.510 40 0 GHABHN CC(C(=O)N[C@@H]1CCCC[C@@H]1C)S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000109033392 570770544 /nfs/dbraw/zinc/77/05/44/570770544.db2.gz GEMHHPVBFHHPKK-HEHGZKQESA-N 0 3 391.455 3.704 40 0 GHABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(-c2cccc(F)c2)no1 ZINC000257300103 570778159 /nfs/dbraw/zinc/77/81/59/570778159.db2.gz RSXWEOHXOGUSRO-QRXQEZHUSA-N 0 3 383.467 3.958 40 0 GHABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(-c2ccccc2F)no1 ZINC000257333066 570782859 /nfs/dbraw/zinc/78/28/59/570782859.db2.gz XZZKKWLSDYRTGD-COWZOJLOSA-N 0 3 383.467 3.958 40 0 GHABHN Cc1c2cc(C)ccc2oc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019220398 570962840 /nfs/dbraw/zinc/96/28/40/570962840.db2.gz LXJHGWZNDAPBDV-IBGZPJMESA-N 0 3 390.487 3.805 40 0 GHABHN NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2ccccc2F)C1 ZINC000019348796 570978823 /nfs/dbraw/zinc/97/88/23/570978823.db2.gz IAPXTUTVHIBBRP-DEOSSOPVSA-N 0 3 389.474 3.808 40 0 GHABHN CC(C)c1cc(C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)on1 ZINC000019452773 570986342 /nfs/dbraw/zinc/98/63/42/570986342.db2.gz HNBHDRFHCIZPLR-UHFFFAOYSA-N 0 3 383.492 3.734 40 0 GHABHN CCCN1CCN(CC2CC2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503262 570993657 /nfs/dbraw/zinc/99/36/57/570993657.db2.gz ISJFPIHINTYKGV-JOCHJYFZSA-N 0 3 377.532 3.872 40 0 GHABHN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C3CCN(CC)CC3)cc2n1 ZINC000019522326 570994972 /nfs/dbraw/zinc/99/49/72/570994972.db2.gz PYAUCOOZRYPAFA-KRWDZBQOSA-N 0 3 395.473 3.932 40 0 GHABHN COc1ccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CC2)cc1 ZINC000019555468 571003071 /nfs/dbraw/zinc/00/30/71/571003071.db2.gz QQBRVPVKHYYFLI-FKBYEOEOSA-N 0 3 396.556 3.983 40 0 GHABHN Cc1c(CN2CCC(O)(Cn3cnc4ccccc43)CC2)[nH]c2ccc(F)cc12 ZINC000019565446 571007471 /nfs/dbraw/zinc/00/74/71/571007471.db2.gz PGBZAIYQRNXWMD-UHFFFAOYSA-N 0 3 392.478 3.992 40 0 GHABHN COc1ccc(OC)c(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)c1 ZINC000019589278 571016325 /nfs/dbraw/zinc/01/63/25/571016325.db2.gz UCFMSTLEKCDDBY-MQSCRBSSSA-N 0 3 384.495 3.905 40 0 GHABHN Fc1cccc(-c2ccc(CN3CCC[C@@H]3c3nnc4n3CCNCC4)cc2)c1 ZINC000019710754 571034470 /nfs/dbraw/zinc/03/44/70/571034470.db2.gz UHUVCMXRFZSHON-OAQYLSRUSA-N 0 3 391.494 3.567 40 0 GHABHN CNc1ncccc1CN1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1F ZINC000019713829 856428241 /nfs/dbraw/zinc/42/82/41/856428241.db2.gz VUJZSGRQSGMKFF-RTWAWAEBSA-N 0 3 396.510 3.808 40 0 GHABHN CN(C)CCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C(F)(F)F)n1 ZINC000328965692 231046529 /nfs/dbraw/zinc/04/65/29/231046529.db2.gz CFISWKAOTQAXRV-UHFFFAOYSA-N 0 3 381.446 3.932 40 0 GHABHN CN(C)CCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(F)cc2)n1 ZINC000028426723 212109046 /nfs/dbraw/zinc/10/90/46/212109046.db2.gz QCGXHPGFCBTGMF-UHFFFAOYSA-N 0 3 391.454 3.672 40 0 GHABHN CCOc1cc(CNC[C@@H](C)O)cc(Br)c1OCc1ccccc1 ZINC000008254050 221033240 /nfs/dbraw/zinc/03/32/40/221033240.db2.gz RULXOYSQQQFUTO-CQSZACIVSA-N 0 3 394.309 3.897 40 0 GHABHN COc1ccc(CN2CCC(c3noc(-c4cnccn4)n3)CC2)c(C)c1C ZINC000012337350 221183993 /nfs/dbraw/zinc/18/39/93/221183993.db2.gz KPESWAMEALJHKM-UHFFFAOYSA-N 0 3 379.464 3.532 40 0 GHABHN C[C@@H]1CCCCN1CCNc1ncc(-c2cnccn2)c(-c2cccs2)n1 ZINC000012239918 221171508 /nfs/dbraw/zinc/17/15/08/221171508.db2.gz MIMORLAVLJDNHO-OAHLLOKOSA-N 0 3 380.521 3.948 40 0 GHABHN Cc1cc(F)ccc1S(=O)(=O)NCc1ccccc1CN1CCCCC1 ZINC000045866237 221963859 /nfs/dbraw/zinc/96/38/59/221963859.db2.gz ITVBQNJYHOYASU-UHFFFAOYSA-N 0 3 376.497 3.599 40 0 GHABHN COc1ccc(CN2CCC[C@H]([C@H](NC(C)=O)c3nccs3)C2)c(C)c1C ZINC000072337758 222229922 /nfs/dbraw/zinc/22/99/22/222229922.db2.gz WSDOETBFBXMGLM-ICSRJNTNSA-N 0 3 387.549 3.858 40 0 GHABHN COc1ccc(-c2cccc([C@H]3CCCN(C(=O)C4CCN(C)CC4)C3)n2)cc1 ZINC000072350384 222238533 /nfs/dbraw/zinc/23/85/33/222238533.db2.gz UVZGSISLJQKLJC-FQEVSTJZSA-N 0 3 393.531 3.805 40 0 GHABHN COc1ccccc1Cc1cccc([C@@H]2CCCN2C2CCN(C(C)=O)CC2)n1 ZINC000072358195 222239544 /nfs/dbraw/zinc/23/95/44/222239544.db2.gz JSXONVDHPOOIAL-QHCPKHFHSA-N 0 3 393.531 3.829 40 0 GHABHN CCn1cc(CN2CC[C@H](c3cc(CCOc4ccccc4F)[nH]n3)C2)c(C)n1 ZINC000072371595 222243216 /nfs/dbraw/zinc/24/32/16/222243216.db2.gz AZFFEZJLIRQADH-KRWDZBQOSA-N 0 3 397.498 3.685 40 0 GHABHN CCn1cc(CN2CC[C@H](c3cc(CCOc4ccccc4F)n[nH]3)C2)c(C)n1 ZINC000072371595 222243219 /nfs/dbraw/zinc/24/32/19/222243219.db2.gz AZFFEZJLIRQADH-KRWDZBQOSA-N 0 3 397.498 3.685 40 0 GHABHN Cc1nc([C@@H]2CCCN(C(C)C)C2)nc2c1CC(=O)N2CCc1ccccc1F ZINC000072371924 222243380 /nfs/dbraw/zinc/24/33/80/222243380.db2.gz OGQNZTIQRQBDAS-GOSISDBHSA-N 0 3 396.510 3.644 40 0 GHABHN Cc1cc(Oc2ccccc2F)nc([C@H]2CCCN2C(=O)C2CCN(C)CC2)n1 ZINC000072384487 222247501 /nfs/dbraw/zinc/24/75/01/222247501.db2.gz BSWMBKKOFKSMFT-GOSISDBHSA-N 0 3 398.482 3.722 40 0 GHABHN CN(Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000096220981 222398656 /nfs/dbraw/zinc/39/86/56/222398656.db2.gz QOTMFDATKSQDMX-OAQYLSRUSA-N 0 3 394.515 3.671 40 0 GHABHN CCS(=O)(=O)c1ccc2oc([C@H]3CCN(Cc4ccccc4C)C3)nc2c1 ZINC000049169138 560084777 /nfs/dbraw/zinc/08/47/77/560084777.db2.gz BIIRAKVSZHORBY-KRWDZBQOSA-N 0 3 384.501 3.919 40 0 biogenic,in-vitro GHABHN Cc1ccc2[nH]c(=O)c(CNC[C@H](O)COc3ccc(Cl)c(C)c3)cc2c1 ZINC000585292685 570260657 /nfs/dbraw/zinc/26/06/57/570260657.db2.gz NGWLJAFHAWLVAV-KRWDZBQOSA-N 0 3 386.879 3.740 40 0 GHABHN Cc1ccc2cc(CNC[C@H](O)COc3ccc(Cl)c(C)c3)c(=O)[nH]c2c1 ZINC000585292864 570262840 /nfs/dbraw/zinc/26/28/40/570262840.db2.gz PEYXTSRYEISYKB-KRWDZBQOSA-N 0 3 386.879 3.740 40 0 GHABHN CCOc1cc2c(cc1CN(Cc1cccnc1)C[C@@H]1CCCN1CC)OCO2 ZINC000022931843 570379941 /nfs/dbraw/zinc/37/99/41/570379941.db2.gz AMYOEPRPWOAHSV-FQEVSTJZSA-N 0 3 397.519 3.696 40 0 GHABHN CO[C@]1(COc2ccc(C)cc2)CCCN(CC(=O)NCc2ccccc2)CC1 ZINC000257286203 570488537 /nfs/dbraw/zinc/48/85/37/570488537.db2.gz PKSHOCYGWNCMNX-XMMPIXPASA-N 0 3 396.531 3.561 40 0 GHABHN COc1cccc(CCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000044906848 570641994 /nfs/dbraw/zinc/64/19/94/570641994.db2.gz LMJKEEQFSOORRJ-FQEVSTJZSA-N 0 3 384.495 3.795 40 0 GHABHN O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc2ccccc2c1 ZINC000008215748 570765542 /nfs/dbraw/zinc/76/55/42/570765542.db2.gz CTHLRUQQXXRQMW-JOCHJYFZSA-N 0 3 383.451 3.785 40 0 GHABHN Cc1cccc(Nc2cc(C)nc(C3CCN(Cc4cnn(C)c4)CC3)c2)n1 ZINC000257278641 570774915 /nfs/dbraw/zinc/77/49/15/570774915.db2.gz ODAJPAMQGKDCRP-UHFFFAOYSA-N 0 3 376.508 3.950 40 0 GHABHN CCN(CC)C(=O)Cc1c(C)nc([C@H]2CCN(Cc3ccccc3C)C2)nc1C ZINC000257285089 570775430 /nfs/dbraw/zinc/77/54/30/570775430.db2.gz PFPNZPNCVHYGJJ-NRFANRHFSA-N 0 3 394.563 3.802 40 0 GHABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)c3ccc(N)nc3)C2)n1 ZINC000257311594 570780046 /nfs/dbraw/zinc/78/00/46/570780046.db2.gz UKGIMVUNQJAFBP-MRXNPFEDSA-N 0 3 391.450 3.880 40 0 GHABHN Cc1ncsc1-c1ccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)C3)cn1 ZINC000257314642 570780513 /nfs/dbraw/zinc/78/05/13/570780513.db2.gz UXVWUBIJEYLSMJ-YNFBMLRVSA-N 0 3 396.560 3.991 40 0 GHABHN Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12CN(CCC(C)(C)C)CCO2 ZINC000306127660 570937458 /nfs/dbraw/zinc/93/74/58/570937458.db2.gz GEFSAOIXOFACBJ-UZLBHIALSA-N 0 3 379.570 3.631 40 0 GHABHN COc1ccc(CN2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 ZINC000306143349 570946599 /nfs/dbraw/zinc/94/65/99/570946599.db2.gz XZZHCGVZBOQQTL-FQEVSTJZSA-N 0 3 385.471 3.789 40 0 GHABHN Cc1c2cccc(C)c2oc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019236741 570967076 /nfs/dbraw/zinc/96/70/76/570967076.db2.gz MPSHUDMLFFDZLS-IBGZPJMESA-N 0 3 390.487 3.805 40 0 GHABHN Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1CN(Cc1cccc(OC3CCCC3)c1)C2 ZINC000019291396 570972366 /nfs/dbraw/zinc/97/23/66/570972366.db2.gz RVWOYEDKEBVXTC-VXMMSVGHSA-N 0 3 395.547 3.861 40 0 GHABHN CC1CCN(Cc2c3nccnc3[nH]c2C2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000019496919 570989834 /nfs/dbraw/zinc/98/98/34/570989834.db2.gz ZZMSVUSBMLXAMT-UHFFFAOYSA-N 0 3 395.551 3.696 40 0 GHABHN CCOC(=O)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCN(CC2CC2)CC1 ZINC000019530189 570998797 /nfs/dbraw/zinc/99/87/97/570998797.db2.gz YFQABOLDNNXYNL-IBGZPJMESA-N 0 3 388.483 3.764 40 0 GHABHN Cc1nn(Cc2ccccc2)c(C)c1CN(CCN(C)C)Cc1ccccn1 ZINC000019578314 571012281 /nfs/dbraw/zinc/01/22/81/571012281.db2.gz VMEVBWWRZVOUKE-UHFFFAOYSA-N 0 3 377.536 3.507 40 0 GHABHN COc1ccc(OC)c(CN2Cc3ccccc3OC3(CCN(C)CC3)C2)c1 ZINC000019588416 571016725 /nfs/dbraw/zinc/01/67/25/571016725.db2.gz RSOKPZBCSIKEOJ-UHFFFAOYSA-N 0 3 382.504 3.563 40 0 GHABHN COc1cc(CNC[C@H](C)O)cc(Br)c1OCc1ccc(F)cc1 ZINC000008497874 221043478 /nfs/dbraw/zinc/04/34/78/221043478.db2.gz DTXSGTKVGOTQFY-LBPRGKRZSA-N 0 3 398.272 3.646 40 0 GHABHN O[C@H](CN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1 ZINC000012292398 221176563 /nfs/dbraw/zinc/17/65/63/221176563.db2.gz FWPZENMRERMHEC-GOSISDBHSA-N 0 3 383.385 3.862 40 0 GHABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)CCC2 ZINC000012330195 221182080 /nfs/dbraw/zinc/18/20/80/221182080.db2.gz AKXALPNEXAIYSV-YADHBBJMSA-N 0 3 397.490 3.699 40 0 GHABHN COCCn1cc(CN2CCC(O)(c3ccccc3OC)CC2)c2ccccc21 ZINC000012328352 221182245 /nfs/dbraw/zinc/18/22/45/221182245.db2.gz CFCGFQYVNJZDFK-UHFFFAOYSA-N 0 3 394.515 3.780 40 0 GHABHN CCCN1C[C@@H](c2ccc(OC)cc2)[C@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000012364776 221184861 /nfs/dbraw/zinc/18/48/61/221184861.db2.gz VVVGUGXENQSCBI-JTHBVZDNSA-N 0 3 391.515 3.713 40 0 GHABHN COc1ccccc1CN(CCN(C)C)C(=O)Cc1c(C)[nH]c2c1cccc2C ZINC000012238270 221171643 /nfs/dbraw/zinc/17/16/43/221171643.db2.gz GVNMLTFUIOIZJR-UHFFFAOYSA-N 0 3 393.531 3.926 40 0 GHABHN Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)C3CCN(C)CC3)n2)cc1 ZINC000072358276 222238878 /nfs/dbraw/zinc/23/88/78/222238878.db2.gz PUKWVKDLDKMYRY-QHCPKHFHSA-N 0 3 377.532 3.986 40 0 GHABHN Fc1ccc(CN2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)cc1 ZINC000096037102 222372889 /nfs/dbraw/zinc/37/28/89/222372889.db2.gz XUUUTZSTFUAKSU-UHFFFAOYSA-N 0 3 376.479 3.784 40 0 GHABHN CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1CN(Cc1cccs1)CCC2 ZINC000096056027 222375402 /nfs/dbraw/zinc/37/54/02/222375402.db2.gz TVROTAJGQQKFOO-RXVVDRJESA-N 0 3 388.533 3.618 40 0 GHABHN Cc1ccc(CN2CCC3(CN(c4ccc5c(c4)OCO5)C3=O)CC2)cc1C ZINC000096202979 222397828 /nfs/dbraw/zinc/39/78/28/222397828.db2.gz SHQRTFGPAJVKSG-UHFFFAOYSA-N 0 3 378.472 3.661 40 0 GHABHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)Cc4ccsc4)C3)C2)c1 ZINC000012476062 570233123 /nfs/dbraw/zinc/23/31/23/570233123.db2.gz RJBCUWOCQGBJNU-JOCHJYFZSA-N 0 3 384.545 3.814 40 0 GHABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(F)cc1 ZINC000020798516 570280912 /nfs/dbraw/zinc/28/09/12/570280912.db2.gz ATQGOCJUQCHMHC-GOSISDBHSA-N 0 3 396.418 3.654 40 0 GHABHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc2ccccc2c1 ZINC000025224514 570413713 /nfs/dbraw/zinc/41/37/13/570413713.db2.gz CTHLRUQQXXRQMW-QFIPXVFZSA-N 0 3 383.451 3.785 40 0 GHABHN Cc1ccc(OCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1C ZINC000224553493 570518075 /nfs/dbraw/zinc/51/80/75/570518075.db2.gz DVELTNDMLSDSGP-UHFFFAOYSA-N 0 3 384.495 3.850 40 0 GHABHN O=S(=O)(Cc1ccccc1Cl)NCc1ccccc1CN1CCCC1 ZINC000224779642 570530333 /nfs/dbraw/zinc/53/03/33/570530333.db2.gz HHQXCFDSJSLNER-UHFFFAOYSA-N 0 3 378.925 3.555 40 0 GHABHN COC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000038835120 570586726 /nfs/dbraw/zinc/58/67/26/570586726.db2.gz SZSLRPJJTNNHTJ-KRWDZBQOSA-N 0 3 386.879 3.977 40 0 GHABHN O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000038836001 570587226 /nfs/dbraw/zinc/58/72/26/570587226.db2.gz JQSNBBMNUKYISB-FQEVSTJZSA-N 0 3 397.950 3.901 40 0 GHABHN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038853684 570588509 /nfs/dbraw/zinc/58/85/09/570588509.db2.gz JXDRVOSZGMXRFX-INIZCTEOSA-N 0 3 386.879 3.962 40 0 GHABHN Cc1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H](N(C)Cc4ccco4)[C@@H]3C2)c1 ZINC000248116019 570721085 /nfs/dbraw/zinc/72/10/85/570721085.db2.gz LMMGCAKKQWYAKJ-IOMROCGXSA-N 0 3 388.533 3.509 40 0 GHABHN Cc1cnc(CN(C)[C@H]2CC[C@@]3(C)C[C@H](c4ccccc4)C[C@](C)(O3)[C@@H]2O)cn1 ZINC000257237985 570767444 /nfs/dbraw/zinc/76/74/44/570767444.db2.gz HJCFUSYYMVUUEM-PJKILVJMSA-N 0 3 395.547 3.852 40 0 GHABHN CN1CCN(C(=O)CCC2CCCC2)C[C@@H](Cc2ccnc3cccnc23)C1 ZINC000257333745 570783430 /nfs/dbraw/zinc/78/34/30/570783430.db2.gz YCXJNYKGJPCBAE-IBGZPJMESA-N 0 3 380.536 3.533 40 0 GHABHN CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1 ZINC000019450578 570984806 /nfs/dbraw/zinc/98/48/06/570984806.db2.gz AITRSFFJMMJJPY-LJQANCHMSA-N 0 3 390.487 3.609 40 0 GHABHN CC(C)Oc1ccc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1 ZINC000019450578 570984810 /nfs/dbraw/zinc/98/48/10/570984810.db2.gz AITRSFFJMMJJPY-LJQANCHMSA-N 0 3 390.487 3.609 40 0 GHABHN Cc1ncc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCCN3C)c(C)n1 ZINC000019552500 571001976 /nfs/dbraw/zinc/00/19/76/571001976.db2.gz JOIYQLRXTOYUSR-CEMLEFRQSA-N 0 3 378.520 3.576 40 0 GHABHN COc1ccc(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1C ZINC000019577380 571012139 /nfs/dbraw/zinc/01/21/39/571012139.db2.gz VAKKKQCOXVTBPN-NRFANRHFSA-N 0 3 380.536 3.817 40 0 GHABHN Cc1cc(C)n(-c2ccc(C(=O)NCCN3CC[C@H](c4ccccc4)C3)cc2)n1 ZINC000019656079 571023378 /nfs/dbraw/zinc/02/33/78/571023378.db2.gz WTKUVCKZCKMHDO-QFIPXVFZSA-N 0 3 388.515 3.708 40 0 GHABHN COc1ccccc1[C@]1(O)CCC[C@@H]2CN(Cc3cnc(C(C)C)nc3)C[C@@H]21 ZINC000019453958 856421398 /nfs/dbraw/zinc/42/13/98/856421398.db2.gz ZMAOSUYZYDLIEB-QMHWCDLVSA-N 0 3 381.520 3.728 40 0 GHABHN CN(C)c1ncccc1CN1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000019713842 856428015 /nfs/dbraw/zinc/42/80/15/856428015.db2.gz DDNXOMQYBTWXEY-YADHBBJMSA-N 0 3 392.547 3.693 40 0 GHABHN O=C(c1ccccc1F)N1CCCc2cc([C@H](O)CN3CCCCC3)ccc21 ZINC000012291304 221174921 /nfs/dbraw/zinc/17/49/21/221174921.db2.gz UQWPJYVPOSYWJO-JOCHJYFZSA-N 0 3 382.479 3.938 40 0 GHABHN COc1ccc(CN2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)c(C)c1C ZINC000012337381 221183360 /nfs/dbraw/zinc/18/33/60/221183360.db2.gz KKYUPVDBEZALJY-UHFFFAOYSA-N 0 3 393.491 3.840 40 0 GHABHN COC(=O)[C@]1(Cc2ccc(F)cc2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072340201 222232212 /nfs/dbraw/zinc/23/22/12/222232212.db2.gz SYYQGPPOANIFCN-QTEQDKRBSA-N 0 3 381.447 3.534 40 0 GHABHN CC(=O)N1CCC(N2CC[C@@H](c3nc(C)cc(Oc4ccccc4C)n3)C2)CC1 ZINC000072384361 222247043 /nfs/dbraw/zinc/24/70/43/222247043.db2.gz PTKARJMLXLWCNM-LJQANCHMSA-N 0 3 394.519 3.686 40 0 GHABHN CC1=C[C@@H](CN2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 ZINC000035442653 560079742 /nfs/dbraw/zinc/07/97/42/560079742.db2.gz JPYUMFVAUSRJEF-ACRUOGEOSA-N 0 3 396.535 3.861 40 0 biogenic,in-vitro GHABHN CN1CCC(Oc2ccc(NC(=O)c3cccc(N4CCCC4=O)c3)cc2)CC1 ZINC000219218254 570350041 /nfs/dbraw/zinc/35/00/41/570350041.db2.gz PHTKLAONNNCVIX-UHFFFAOYSA-N 0 3 393.487 3.539 40 0 GHABHN COc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000039772610 570446611 /nfs/dbraw/zinc/44/66/11/570446611.db2.gz UYNDWHMNQCQIOV-IBGZPJMESA-N 0 3 396.531 3.799 40 0 GHABHN CCOc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000030503413 570489934 /nfs/dbraw/zinc/48/99/34/570489934.db2.gz SDJYBABMRADHHI-UHFFFAOYSA-N 0 3 388.533 3.550 40 0 GHABHN Cc1cccc(OCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1C ZINC000223949136 570491437 /nfs/dbraw/zinc/49/14/37/570491437.db2.gz WTKCPVNXJGXZKC-UHFFFAOYSA-N 0 3 384.495 3.850 40 0 GHABHN COc1ccccc1OCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000224331529 570509259 /nfs/dbraw/zinc/50/92/59/570509259.db2.gz WMEHPXKBWVVXQL-UHFFFAOYSA-N 0 3 382.504 3.736 40 0 GHABHN COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002428600 570544184 /nfs/dbraw/zinc/54/41/84/570544184.db2.gz SSTRELGFKVZOAD-JLCFBVMHSA-N 0 3 383.492 3.794 40 0 GHABHN Cn1c2ccc(NC(=O)c3ccc(CN4CCCCC4)cc3)cc2sc1=O ZINC000225041279 570545026 /nfs/dbraw/zinc/54/50/26/570545026.db2.gz VQUHMSGMBUJIGX-UHFFFAOYSA-N 0 3 381.501 3.838 40 0 GHABHN CN1CCC(Oc2ccc(CNC(=S)Nc3ccc(F)c(F)c3)cc2)CC1 ZINC000225772968 570615707 /nfs/dbraw/zinc/61/57/07/570615707.db2.gz FNWXEKJXICIIEK-UHFFFAOYSA-N 0 3 391.487 3.924 40 0 GHABHN Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044852526 570636237 /nfs/dbraw/zinc/63/62/37/570636237.db2.gz XAJDMVMWLBNLBV-UYAOXDASSA-N 0 3 384.495 3.930 40 0 GHABHN Cc1ccccc1OC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044852528 570636262 /nfs/dbraw/zinc/63/62/62/570636262.db2.gz XAJDMVMWLBNLBV-AZUAARDMSA-N 0 3 384.495 3.930 40 0 GHABHN CCN(CC)C(=O)Cc1c(C)nc([C@H]2CCN(Cc3ccc(F)cc3)C2)nc1C ZINC000257286792 570776132 /nfs/dbraw/zinc/77/61/32/570776132.db2.gz PNBHHXCCTJBIFG-IBGZPJMESA-N 0 3 398.526 3.633 40 0 GHABHN COc1ccc2c(c1)[C@H]1OCC3(CCN(Cc4c[nH]cn4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257337580 570784218 /nfs/dbraw/zinc/78/42/18/570784218.db2.gz YTJXUTSRLUMJAL-PZJWPPBQSA-N 0 3 397.519 3.949 40 0 GHABHN COc1ccc2c(c1)[C@H]1OCC3(CCN(Cc4cnc[nH]4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257337580 570784220 /nfs/dbraw/zinc/78/42/20/570784220.db2.gz YTJXUTSRLUMJAL-PZJWPPBQSA-N 0 3 397.519 3.949 40 0 GHABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000257249299 570895102 /nfs/dbraw/zinc/89/51/02/570895102.db2.gz JHPBQUQFLRXRBS-CBGDNZLLSA-N 0 3 397.567 3.941 40 0 GHABHN COc1cccc(C(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)N(C)C)CC2)c1 ZINC000257260593 570896990 /nfs/dbraw/zinc/89/69/90/570896990.db2.gz LDMWXTFTKNUZFH-SPEDKVCISA-N 0 3 381.520 3.929 40 0 GHABHN CC(C)c1cccc(C(=O)N2CCO[C@@]3(CCCC[C@@H]3[NH+]3CCCC3)C2)c1[O-] ZINC000306124320 570936130 /nfs/dbraw/zinc/93/61/30/570936130.db2.gz BMOWRXCBCTWGEJ-REWPJTCUSA-N 0 3 386.536 3.765 40 0 GHABHN Cc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cnc(C(C)(C)C)nc23)s1 ZINC000306126431 570936914 /nfs/dbraw/zinc/93/69/14/570936914.db2.gz DVROTEOXJJFLIM-UHFFFAOYSA-N 0 3 398.576 3.763 40 0 GHABHN COc1cccc(CN2CCC3(C[C@H](CN4CCC(F)(F)CC4)O3)CC2)c1 ZINC000306138537 570943642 /nfs/dbraw/zinc/94/36/42/570943642.db2.gz SACVEJNWNPIMON-LJQANCHMSA-N 0 3 380.479 3.550 40 0 GHABHN Cc1cccc(CN2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)n1 ZINC000306143592 570946571 /nfs/dbraw/zinc/94/65/71/570946571.db2.gz YGLGBNVGXBAQHY-HXUWFJFHSA-N 0 3 384.487 3.874 40 0 GHABHN O=C(c1cc([C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1)N1CCCC1 ZINC000019347019 570978118 /nfs/dbraw/zinc/97/81/18/570978118.db2.gz WRSCDVSYIYSHDM-LJQANCHMSA-N 0 3 390.487 3.838 40 0 GHABHN COc1ccc([C@H]2CN(C)[C@@H]3CCCN(C(=O)c4cc(C(C)C)no4)[C@@H]32)cc1 ZINC000019452934 570985975 /nfs/dbraw/zinc/98/59/75/570985975.db2.gz IVJMMSJUYNOKOY-YFVAEKQCSA-N 0 3 383.492 3.509 40 0 GHABHN CCCN1CCN(CC2CC2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502934 570993729 /nfs/dbraw/zinc/99/37/29/570993729.db2.gz UUYDAAPNQLAMOB-QHCPKHFHSA-N 0 3 377.532 3.872 40 0 GHABHN COc1cccc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[n-]3)CC2)c1 ZINC000019564955 571007081 /nfs/dbraw/zinc/00/70/81/571007081.db2.gz VAXMMGKCGZJIIM-UHFFFAOYSA-N 0 3 376.460 3.632 40 0 GHABHN Cc1c2ccccc2oc1C(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019566170 571007340 /nfs/dbraw/zinc/00/73/40/571007340.db2.gz DSBFZLMMKWXSEQ-GOSISDBHSA-N 0 3 376.460 3.544 40 0 GHABHN CC[C@H](CO)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000008327014 221036791 /nfs/dbraw/zinc/03/67/91/221036791.db2.gz JEWDUQIDZNLQGV-MRXNPFEDSA-N 0 3 394.309 3.897 40 0 GHABHN Cc1cc2c(cc1C)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(F)cc3)CC1)O2 ZINC000012293742 221175457 /nfs/dbraw/zinc/17/54/57/221175457.db2.gz OKEGUWIUESQILP-NHCUHLMSSA-N 0 3 385.479 3.827 40 0 GHABHN Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1C ZINC000012293535 221176454 /nfs/dbraw/zinc/17/64/54/221176454.db2.gz VDORHKNLOZMKFB-NHCUHLMSSA-N 0 3 385.479 3.827 40 0 GHABHN Cc1[nH]c2c(ccc(C)c2C)c1CC(=O)N(CCN(C)C)Cc1cccnc1 ZINC000012223322 221170531 /nfs/dbraw/zinc/17/05/31/221170531.db2.gz YSZIJCKBNCSFIW-UHFFFAOYSA-N 0 3 378.520 3.621 40 0 GHABHN O=C(c1ccccc1F)N1CCCc2cc([C@@H](O)CN3CCCCC3)ccc21 ZINC000012291301 221174697 /nfs/dbraw/zinc/17/46/97/221174697.db2.gz UQWPJYVPOSYWJO-QFIPXVFZSA-N 0 3 382.479 3.938 40 0 GHABHN Cc1nn([C@@H](C)CC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c(C)c1Cl ZINC000019136435 221398991 /nfs/dbraw/zinc/39/89/91/221398991.db2.gz GGNHOLIDFMZPMA-KBXCAEBGSA-N 0 3 376.932 3.832 40 0 GHABHN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2Cc1cccnc1 ZINC000019017548 221394090 /nfs/dbraw/zinc/39/40/90/221394090.db2.gz YHOFFVQEXBFAMC-ZRBLBEILSA-N 0 3 381.495 3.980 40 0 GHABHN CC(=O)N1CCc2nc(C3CCN(Cc4cc5ccccc5o4)CC3)ncc2C1 ZINC000019018881 221394640 /nfs/dbraw/zinc/39/46/40/221394640.db2.gz RMNBKDBUIHBVGK-UHFFFAOYSA-N 0 3 390.487 3.507 40 0 GHABHN CC(C)(CNC(=O)c1cnn2c1nc(C1CC1)cc2C(F)F)N1CCCCC1 ZINC000019715336 221445180 /nfs/dbraw/zinc/44/51/80/221445180.db2.gz STRHUHWKMXGMGD-UHFFFAOYSA-N 0 3 391.466 3.539 40 0 GHABHN Cc1cc(C)c2cc(CNc3ccc(N4CCN(C)CC4)cc3)c(=O)[nH]c2c1 ZINC000013562990 136201312 /nfs/dbraw/zinc/20/13/12/136201312.db2.gz TWLKFADMNJPNFU-UHFFFAOYSA-N 0 3 376.504 3.509 40 0 GHABHN C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000057136963 222030336 /nfs/dbraw/zinc/03/03/36/222030336.db2.gz KBOQISMLELHQDA-KRWDZBQOSA-N 0 3 380.488 3.547 40 0 GHABHN COc1cccc(CN2CCC[C@@H]([C@H](NC(=O)C(C)C)c3nccs3)C2)c1 ZINC000072341412 222232229 /nfs/dbraw/zinc/23/22/29/222232229.db2.gz IVCPPTPTNOGADB-MJGOQNOKSA-N 0 3 387.549 3.877 40 0 GHABHN CN1CCC(C(=O)N2CCC[C@@H](c3cccc(Cc4cccc(F)c4)n3)C2)CC1 ZINC000072350399 222237443 /nfs/dbraw/zinc/23/74/43/222237443.db2.gz YTVWJWIRGJXBQB-HXUWFJFHSA-N 0 3 395.522 3.859 40 0 GHABHN COc1ccc2nc3n(c2c1)[C@@H](CNCc1ccc(C(F)(F)F)cc1)COC3 ZINC000096112634 222380980 /nfs/dbraw/zinc/38/09/80/222380980.db2.gz LCSXHFKHMLNPPI-HNNXBMFYSA-N 0 3 391.393 3.925 40 0 biogenic,in-vitro GHABHN O=C(Cc1cccs1)N1CC[C@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216382 222398097 /nfs/dbraw/zinc/39/80/97/222398097.db2.gz KDUPGDWMGJYEEE-JOCHJYFZSA-N 0 3 384.545 3.684 40 0 GHABHN O=C(CCc1cccnc1)N1CC2(C1)CCN(Cc1ccc(Cl)cc1)CC2 ZINC000096203021 222398469 /nfs/dbraw/zinc/39/84/69/222398469.db2.gz KJOVJBQJFWZLOS-UHFFFAOYSA-N 0 3 383.923 3.792 40 0 GHABHN COCCOc1ccc(-c2noc([C@@H]3CCCN3CC3CCCCC3)n2)cn1 ZINC000035425396 560080117 /nfs/dbraw/zinc/08/01/17/560080117.db2.gz VQXHZHMMOYAPEZ-SFHVURJKSA-N 0 3 386.496 3.874 40 0 biogenic,in-vitro GHABHN CC(C)CNc1nc2c(cc1C(=O)N(C)C)CCN(Cc1ccc(F)cc1)CC2 ZINC000096260505 570225814 /nfs/dbraw/zinc/22/58/14/570225814.db2.gz SUVABYUDTWIGKG-UHFFFAOYSA-N 0 3 398.526 3.591 40 0 GHABHN COc1ccccc1CC(=O)NC[C@H]1CC[C@H]([C@@H](c2ccccn2)N(C)C)CC1 ZINC000100750203 570276411 /nfs/dbraw/zinc/27/64/11/570276411.db2.gz XNPUCJFAWGCFNP-GLDPYIMESA-N 0 3 395.547 3.858 40 0 GHABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(F)cc2)CC1 ZINC000100750218 570276537 /nfs/dbraw/zinc/27/65/37/570276537.db2.gz QIHYOIQIBJECQL-YYDVJCTNSA-N 0 3 383.511 3.989 40 0 GHABHN CN(C)CCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118915701 570367020 /nfs/dbraw/zinc/36/70/20/570367020.db2.gz PPMFMAOFTZHACB-FMWKKIILSA-N 0 3 389.580 3.562 40 0 in-vitro GHABHN Cc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)c(Cl)c1 ZINC000025224498 570413732 /nfs/dbraw/zinc/41/37/32/570413732.db2.gz CNIRXEDNVVXCHY-SFHVURJKSA-N 0 3 381.863 3.594 40 0 GHABHN COC(=O)c1cccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1C ZINC000039768079 570446486 /nfs/dbraw/zinc/44/64/86/570446486.db2.gz DMZOEIMPXHVEGZ-UHFFFAOYSA-N 0 3 380.488 3.941 40 0 GHABHN O=S(=O)(Cc1cccc(Cl)c1)NCc1ccccc1CN1CCCCC1 ZINC000224828693 570532811 /nfs/dbraw/zinc/53/28/11/570532811.db2.gz YPWGOSLITGKFMD-UHFFFAOYSA-N 0 3 392.952 3.946 40 0 GHABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000225006711 570543096 /nfs/dbraw/zinc/54/30/96/570543096.db2.gz WXFUXKPPKKGUAZ-UHFFFAOYSA-N 0 3 393.531 3.682 40 0 GHABHN CCOc1cc(CNCCCO)cc(Br)c1OCc1ccccc1 ZINC000036612314 570565359 /nfs/dbraw/zinc/56/53/59/570565359.db2.gz HVTGLHWBEBPGIM-UHFFFAOYSA-N 0 3 394.309 3.899 40 0 GHABHN COc1ccc(CCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000038848917 570587074 /nfs/dbraw/zinc/58/70/74/570587074.db2.gz WHISJVYBWVVLSP-IBGZPJMESA-N 0 3 386.923 3.920 40 0 GHABHN CC(=O)N1CCCC[C@@H]2[C@H]1CCN2Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000257232271 570765613 /nfs/dbraw/zinc/76/56/13/570765613.db2.gz GKCMVOHJWDDZHG-FGZHOGPDSA-N 0 3 384.499 3.604 40 0 GHABHN COc1ccc(CN2CCC(c3n[nH]cc3C(=O)N3CCCCCC3)CC2)cc1 ZINC000257332218 570782936 /nfs/dbraw/zinc/78/29/36/570782936.db2.gz XWGWFRAHSQOVOJ-UHFFFAOYSA-N 0 3 396.535 3.814 40 0 GHABHN COc1cc(C)ccc1CN1CCC(c2cncc(Nc3cnccn3)n2)CC1 ZINC000257341803 570784407 /nfs/dbraw/zinc/78/44/07/570784407.db2.gz ZMAUFEWXPIDDLY-UHFFFAOYSA-N 0 3 390.491 3.707 40 0 GHABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000257249300 570895045 /nfs/dbraw/zinc/89/50/45/570895045.db2.gz JHPBQUQFLRXRBS-FIKGOQFSSA-N 0 3 397.567 3.941 40 0 GHABHN CC(C)C[C@H](O)C(=O)N1CCC[C@]2(CCCN2Cc2cc(F)ccc2F)CC1 ZINC000585100377 570924889 /nfs/dbraw/zinc/92/48/89/570924889.db2.gz KMXFBALNFOBJGJ-UNMCSNQZSA-N 0 3 394.506 3.719 40 0 GHABHN COc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccc(F)c4)C2)OC3)cc1 ZINC000306123826 570935944 /nfs/dbraw/zinc/93/59/44/570935944.db2.gz AXZIXLFHTJMPPC-QHCPKHFHSA-N 0 3 393.462 3.873 40 0 GHABHN c1cncc(-c2ccc3nc([C@@H]4CCN(Cc5ccc6c(c5)OCO6)C4)nn3c2)c1 ZINC000306132530 570940247 /nfs/dbraw/zinc/94/02/47/570940247.db2.gz LLOJLWBKFIZQTI-LJQANCHMSA-N 0 3 399.454 3.510 40 0 GHABHN Cc1cnccc1-c1c[nH]nc1[C@@H]1CCCCN1C(=O)CN1CCCCCC1 ZINC000019239568 570968724 /nfs/dbraw/zinc/96/87/24/570968724.db2.gz OKECKNZPYXADFB-FQEVSTJZSA-N 0 3 381.524 3.710 40 0 GHABHN O=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1)[C@@H]1CCCO1 ZINC000019332821 570975635 /nfs/dbraw/zinc/97/56/35/570975635.db2.gz JWAKBCGJSVFDGY-IBGZPJMESA-N 0 3 376.928 3.521 40 0 GHABHN COc1ccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1Br ZINC000019361734 570979719 /nfs/dbraw/zinc/97/97/19/570979719.db2.gz YYBQGKNCXLPPSM-NJAFHUGGSA-N 0 3 391.353 3.788 40 0 GHABHN CC(C)c1cc(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cs1 ZINC000019452174 570985526 /nfs/dbraw/zinc/98/55/26/570985526.db2.gz NRTUCNKSPHJOBH-UHFFFAOYSA-N 0 3 384.549 3.669 40 0 GHABHN CC(C)n1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)cn1 ZINC000019454946 570986684 /nfs/dbraw/zinc/98/66/84/570986684.db2.gz VVHPOYUUODQQSZ-BDTNDASRSA-N 0 3 380.536 3.947 40 0 GHABHN CCn1ncc(-c2cc(C(=O)NC3(CN4CCCCC4)CCCCC3)on2)c1C ZINC000019524066 570996508 /nfs/dbraw/zinc/99/65/08/570996508.db2.gz ZVTZOARFVDYREG-UHFFFAOYSA-N 0 3 399.539 3.785 40 0 GHABHN CCN(CC)[C@@H](CNCc1cc(-c2ccccc2)cn2nnnc12)c1ccco1 ZINC000019526304 570997388 /nfs/dbraw/zinc/99/73/88/570997388.db2.gz OSPHPCQGKPGJGJ-FQEVSTJZSA-N 0 3 390.491 3.557 40 0 GHABHN CCOc1ncccc1C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C ZINC000019531527 570998679 /nfs/dbraw/zinc/99/86/79/570998679.db2.gz YICOITHBCNSSSU-BDTNDASRSA-N 0 3 393.531 3.963 40 0 GHABHN Cc1ncsc1C(=O)N(C)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019561975 571006122 /nfs/dbraw/zinc/00/61/22/571006122.db2.gz GDZFLTFNCVYYCN-UHFFFAOYSA-N 0 3 385.533 3.729 40 0 GHABHN COc1cc2c(cc1CN1CCCC[C@@H]1c1ncc3c(n1)CCN(C)C3)CCC2 ZINC000019590322 571017248 /nfs/dbraw/zinc/01/72/48/571017248.db2.gz CEMKSSMTNLBHHJ-JOCHJYFZSA-N 0 3 392.547 3.689 40 0 GHABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@@H](c2c3cccnc3sc2C(N)=O)C1 ZINC000019702581 856424751 /nfs/dbraw/zinc/42/47/51/856424751.db2.gz GHKJUBMWABNGJX-OAHLLOKOSA-N 0 3 397.548 3.779 40 0 GHABHN CCSc1nnc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)s1 ZINC000222639082 222610481 /nfs/dbraw/zinc/61/04/81/222610481.db2.gz KHPMIEBBGXYBPB-UHFFFAOYSA-N 0 3 376.551 3.809 40 0 GHABHN Cc1cc2nc(C3CCN(Cc4cn(C)c5ccc(F)cc45)CC3)cc(N)n2n1 ZINC000012121587 221154785 /nfs/dbraw/zinc/15/47/85/221154785.db2.gz GWDFPPXOTWSKOS-UHFFFAOYSA-N 0 3 392.482 3.630 40 0 GHABHN Cc1cc(C)c(-n2cccn2)c(CN(Cc2ccc3c(c2)OCO3)C[C@@H](C)O)c1 ZINC000012185793 221163842 /nfs/dbraw/zinc/16/38/42/221163842.db2.gz HZLRYUSPDVDQOB-GOSISDBHSA-N 0 3 393.487 3.601 40 0 GHABHN CC(=O)N1CCCc2cc([C@@H](O)CN3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000012291160 221174482 /nfs/dbraw/zinc/17/44/82/221174482.db2.gz LOLAGMUUKAEGDQ-DEOSSOPVSA-N 0 3 394.490 3.948 40 0 GHABHN C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000018109847 221387064 /nfs/dbraw/zinc/38/70/64/221387064.db2.gz WZJVGJKQEBQZLP-QGZVFWFLSA-N 0 3 380.488 3.935 40 0 GHABHN O=C(c1ccccc1-c1ccccc1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019374243 221411333 /nfs/dbraw/zinc/41/13/33/221411333.db2.gz IBNFAZZBGXAOAF-QFIPXVFZSA-N 0 3 384.483 3.767 40 0 GHABHN Cc1noc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)CN2CCCCCC2)c1C ZINC000019558148 221426805 /nfs/dbraw/zinc/42/68/05/221426805.db2.gz FMSLTGODFGKPCV-IBGZPJMESA-N 0 3 399.539 3.622 40 0 GHABHN COc1cc2c(cc1OC)CN(c1cc(NCc3ccccc3)nc(C)n1)CC2 ZINC000244334133 136192499 /nfs/dbraw/zinc/19/24/99/136192499.db2.gz XPSIELDZXXPLIT-UHFFFAOYSA-N 0 3 390.487 3.977 40 0 GHABHN CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cccnc2N(C)C)C1 ZINC000072352305 222237459 /nfs/dbraw/zinc/23/74/59/222237459.db2.gz NDRZAQCYYMKJBU-HNNXBMFYSA-N 0 3 394.544 3.711 40 0 GHABHN NC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccnc3ccccc23)C1 ZINC000072352552 222238540 /nfs/dbraw/zinc/23/85/40/222238540.db2.gz IZYLCPYCVLQAKU-HNNXBMFYSA-N 0 3 388.496 3.933 40 0 GHABHN Nc1cc(-c2c[nH]nc2[C@H]2CCCN(CCCOc3ccccc3)C2)ccn1 ZINC000072356489 222239199 /nfs/dbraw/zinc/23/91/99/222239199.db2.gz RNIWFBGMBBCTIN-SFHVURJKSA-N 0 3 377.492 3.702 40 0 GHABHN Cc1nn(C)cc1CN1CCC[C@H](c2cccc(Nc3ncccc3C)n2)C1 ZINC000072376040 222242198 /nfs/dbraw/zinc/24/21/98/222242198.db2.gz FYESRCLSOIYCKR-SFHVURJKSA-N 0 3 376.508 3.950 40 0 GHABHN Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN2CC(=O)N2CCC(C)CC2)n1 ZINC000072372494 222243359 /nfs/dbraw/zinc/24/33/59/222243359.db2.gz DXQQIZJKHKGFNS-NRFANRHFSA-N 0 3 393.535 3.924 40 0 GHABHN CC(=O)N1CCC(N2CC[C@H](c3nc(C)cc(Oc4ccccc4C)n3)C2)CC1 ZINC000072384362 222247345 /nfs/dbraw/zinc/24/73/45/222247345.db2.gz PTKARJMLXLWCNM-IBGZPJMESA-N 0 3 394.519 3.686 40 0 GHABHN Cc1n[nH]c(C)c1CCC(=O)NCC1CCC([C@H](c2ccccn2)N(C)C)CC1 ZINC000072391153 222249621 /nfs/dbraw/zinc/24/96/21/222249621.db2.gz PTQXODXMZMPCMH-MTNXOHHFSA-N 0 3 397.567 3.580 40 0 GHABHN COc1ccccc1-c1cn2c(n1)CO[C@@H](CNCc1ccccc1Cl)C2 ZINC000096112894 222381675 /nfs/dbraw/zinc/38/16/75/222381675.db2.gz LHMHBQNIFLHBPC-INIZCTEOSA-N 0 3 383.879 3.901 40 0 biogenic,in-vitro GHABHN COc1ccc(CC(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)N(C)C)CC2)cc1 ZINC000100750209 570276577 /nfs/dbraw/zinc/27/65/77/570276577.db2.gz FWJSYLMVJZVMIJ-ROKPMTFOSA-N 0 3 395.547 3.858 40 0 GHABHN Cc1ccc(C2(C(=O)Nc3ccc(OCCN(C)C)cc3)CCOCC2)cc1 ZINC000110229467 570321825 /nfs/dbraw/zinc/32/18/25/570321825.db2.gz FVBWHYBLMUMPJK-UHFFFAOYSA-N 0 3 382.504 3.622 40 0 GHABHN CC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN1CCN(C)CC1 ZINC000022576639 570322241 /nfs/dbraw/zinc/32/22/41/570322241.db2.gz DQVIJOCOLCADKE-YKSBVNFPSA-N 0 3 380.532 3.571 40 0 GHABHN COc1cc(CNCc2ccccc2)ccc1OCC(=O)NC1CCCCC1 ZINC000004670816 570391736 /nfs/dbraw/zinc/39/17/36/570391736.db2.gz JFJQXMQGWWRZSK-UHFFFAOYSA-N 0 3 382.504 3.813 40 0 GHABHN COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1Br ZINC000005722010 570453033 /nfs/dbraw/zinc/45/30/33/570453033.db2.gz YSOCJYPSQCCGNA-INIZCTEOSA-N 0 3 392.293 3.904 40 0 GHABHN COc1ccc(Br)cc1CN1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000224084729 570497616 /nfs/dbraw/zinc/49/76/16/570497616.db2.gz FRJUIIYCYYSTGB-BBWFWOEESA-N 0 3 391.353 3.788 40 0 GHABHN COc1ccc(CNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1OC ZINC000224531335 570516643 /nfs/dbraw/zinc/51/66/43/570516643.db2.gz JPFUKRLJDATNQL-UHFFFAOYSA-N 0 3 382.504 3.541 40 0 GHABHN O=C([C@@H]1CCCN(Cc2ccccc2Cl)C1)N1CCN(c2ccccc2)CC1 ZINC000038835986 570586581 /nfs/dbraw/zinc/58/65/81/570586581.db2.gz MTYADSZMVPSHNI-HXUWFJFHSA-N 0 3 397.950 3.901 40 0 GHABHN Cc1ccc(CN2CC[C@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc1C ZINC000257235758 570766547 /nfs/dbraw/zinc/76/65/47/570766547.db2.gz GZHHFDPZOAMIDN-NRFANRHFSA-N 0 3 394.563 3.767 40 0 GHABHN CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cccnn1 ZINC000257260884 570771465 /nfs/dbraw/zinc/77/14/65/570771465.db2.gz LEXJXQILYPMCLN-CFKFVRPNSA-N 0 3 390.531 3.565 40 0 GHABHN CN1CCC(C(=O)N2CCC(C)(c3ncc(Cc4cccc(F)c4)o3)CC2)CC1 ZINC000257334810 570783547 /nfs/dbraw/zinc/78/35/47/570783547.db2.gz YHLISKNJIMVWFL-UHFFFAOYSA-N 0 3 399.510 3.626 40 0 GHABHN CC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cccc(OC(C)C)c2)CC1 ZINC000019450826 570985529 /nfs/dbraw/zinc/98/55/29/570985529.db2.gz AJEWUXJDSUUWQO-HSZRJFAPSA-N 0 3 381.520 3.958 40 0 GHABHN CC(=O)N1CCC(c2ncc3c(n2)CCN(CC[C@@H](C)c2ccccc2)C3)CC1 ZINC000019455728 570987216 /nfs/dbraw/zinc/98/72/16/570987216.db2.gz AIHULRSYFJVMNQ-GOSISDBHSA-N 0 3 392.547 3.754 40 0 GHABHN CC1CCN(C(=O)c2cc([C@H]3CCCN(CCc4ccccc4)C3)no2)CC1 ZINC000019496735 570990074 /nfs/dbraw/zinc/99/00/74/570990074.db2.gz IZYIOWRMQQLHAO-FQEVSTJZSA-N 0 3 381.520 3.969 40 0 GHABHN CCOc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cc1OC ZINC000019533693 570999761 /nfs/dbraw/zinc/99/97/61/570999761.db2.gz OTOUENIWRBCGQK-DETIRCLXSA-N 0 3 382.504 3.609 40 0 GHABHN CN1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1n[nH]c2c1CCCC2 ZINC000019589160 571016329 /nfs/dbraw/zinc/01/63/29/571016329.db2.gz YHRWZSDTGNASGZ-JMUQELJHSA-N 0 3 392.547 3.771 40 0 GHABHN COCCNC(=O)c1cc([C@H]2CCCN(Cc3cccc4ccccc43)C2)no1 ZINC000019593548 571019815 /nfs/dbraw/zinc/01/98/15/571019815.db2.gz MWUYBMDKSSXSKZ-IBGZPJMESA-N 0 3 393.487 3.584 40 0 GHABHN CC(=O)N1CCC[C@@H]1c1cc(N2CCN(Cc3ccc(F)cc3)CC2)cc(C)n1 ZINC000019698261 571030469 /nfs/dbraw/zinc/03/04/69/571030469.db2.gz SCAKULCMVNJWGC-HSZRJFAPSA-N 0 3 396.510 3.535 40 0 GHABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(C)=O)c3nccs3)C2)c(C)c1C ZINC000012365813 856418645 /nfs/dbraw/zinc/41/86/45/856418645.db2.gz WSDOETBFBXMGLM-AZUAARDMSA-N 0 3 387.549 3.858 40 0 GHABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@H](c2c3cccnc3sc2C(N)=O)C1 ZINC000019702583 856425064 /nfs/dbraw/zinc/42/50/64/856425064.db2.gz GHKJUBMWABNGJX-HNNXBMFYSA-N 0 3 397.548 3.779 40 0 GHABHN CC(C)c1ncc(CN2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)cn1 ZINC000019712628 856426086 /nfs/dbraw/zinc/42/60/86/856426086.db2.gz DJHLJFRMNRMHAE-VWPQPMDRSA-N 0 3 378.520 3.627 40 0 GHABHN CC[C@@H]1[C@H](OC(=O)CC(O)(c2ccccc2)c2ccccc2)C2CCN1CC2 ZINC000001641784 212252556 /nfs/dbraw/zinc/25/25/56/212252556.db2.gz LGCQVJSQUJNJEC-FYYLOGMGSA-N 0 3 379.500 3.729 40 0 GHABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc(Cl)cc1 ZINC000012329800 221182416 /nfs/dbraw/zinc/18/24/16/221182416.db2.gz FDLIAMLIJIYFHF-OALUTQOASA-N 0 3 391.870 3.863 40 0 GHABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)CCC4)CC1)O2 ZINC000012330209 221183140 /nfs/dbraw/zinc/18/31/40/221183140.db2.gz XEBGHOWCYQJQCG-DHIUTWEWSA-N 0 3 393.527 3.868 40 0 GHABHN CC(C)OCCCNCc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186386 221163941 /nfs/dbraw/zinc/16/39/41/221163941.db2.gz CKXCGIGFPJVJMS-UHFFFAOYSA-N 0 3 396.535 3.916 40 0 GHABHN OCCCn1cc(CN2CCC(O)(c3ccccc3F)CC2)c2ccccc21 ZINC000012240515 221172423 /nfs/dbraw/zinc/17/24/23/221172423.db2.gz VZEOUTRPKFUOOE-UHFFFAOYSA-N 0 3 382.479 3.646 40 0 GHABHN COc1ccc(CNC(=O)[C@H](C)NCCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000016695387 221369403 /nfs/dbraw/zinc/36/94/03/221369403.db2.gz DKHVRXDMLXDFDN-KRWDZBQOSA-N 0 3 384.520 3.666 40 0 GHABHN CC(=O)N1CCC[C@@H](c2[nH]c3cccnc3c2CN(C)Cc2ccccc2)C1 ZINC000019016945 221393891 /nfs/dbraw/zinc/39/38/91/221393891.db2.gz YOCUUXZJXPRZLY-LJQANCHMSA-N 0 3 376.504 3.921 40 0 GHABHN Cc1nccn1-c1cccc(C2CCN(CCOc3ccc(F)cc3)CC2)n1 ZINC000072376602 222245925 /nfs/dbraw/zinc/24/59/25/222245925.db2.gz XXLVEMDXIJFKTQ-UHFFFAOYSA-N 0 3 380.467 3.973 40 0 GHABHN O=C(N1CCCC1)N1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21 ZINC000096078865 222376889 /nfs/dbraw/zinc/37/68/89/222376889.db2.gz SAEUYLPZWBLYHN-UHFFFAOYSA-N 0 3 376.504 3.651 40 0 GHABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccccc1F ZINC000005092588 570222992 /nfs/dbraw/zinc/22/29/92/570222992.db2.gz IMEVDSRFMICGCF-ACRUOGEOSA-N 0 3 388.398 3.877 40 0 GHABHN CC(C)(C)[C@H]1CC[C@H](N2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287260 570256276 /nfs/dbraw/zinc/25/62/76/570256276.db2.gz LQPZUDHKDXZZFE-SFGWALBWSA-N 0 3 379.516 3.873 40 0 GHABHN COc1ccc(CN[C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)c(OC)c1 ZINC000585289264 570257210 /nfs/dbraw/zinc/25/72/10/570257210.db2.gz OYCHWWDWYDBZSF-QKNQBKEWSA-N 0 3 391.895 3.808 40 0 GHABHN CC(C)c1cc(C(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)N(C)C)CC2)[nH]n1 ZINC000100750235 570276511 /nfs/dbraw/zinc/27/65/11/570276511.db2.gz PBUXOSXRSYECEW-LLGFUMIMSA-N 0 3 383.540 3.767 40 0 GHABHN Cc1ccc(SCc2ccc(C(=O)NCCCN3CCN(C)CC3)cc2)cc1 ZINC000022934629 570338304 /nfs/dbraw/zinc/33/83/04/570338304.db2.gz MHJWURXDRYVAGJ-UHFFFAOYSA-N 0 3 397.588 3.655 40 0 GHABHN Cc1cccc(CN2CCC(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000222715800 570422210 /nfs/dbraw/zinc/42/22/10/570422210.db2.gz VZERXMDJZGQQOJ-GOSISDBHSA-N 0 3 394.515 3.856 40 0 GHABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 ZINC000223276647 570455235 /nfs/dbraw/zinc/45/52/35/570455235.db2.gz IEZTWTINSQGLHP-RTWAWAEBSA-N 0 3 397.592 3.922 40 0 GHABHN O=C(NCCOc1ccc(Cl)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000224552451 570518269 /nfs/dbraw/zinc/51/82/69/570518269.db2.gz HVCXMWGLNTXTNZ-UHFFFAOYSA-N 0 3 390.886 3.886 40 0 GHABHN CSc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000224823362 570532849 /nfs/dbraw/zinc/53/28/49/570532849.db2.gz ADBQFILEXUZDAZ-UHFFFAOYSA-N 0 3 390.574 3.873 40 0 GHABHN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](N(Cc2ccc(F)cc2)C2CCCC2)C1 ZINC000257209780 570761231 /nfs/dbraw/zinc/76/12/31/570761231.db2.gz BRWAEZHNZUEZQT-RTBURBONSA-N 0 3 378.488 3.551 40 0 GHABHN CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CCN(Cc3cccc(F)c3)C2)nc1C ZINC000257221774 570763155 /nfs/dbraw/zinc/76/31/55/570763155.db2.gz DQLHULWJYLQYQI-LJQANCHMSA-N 0 3 398.526 3.633 40 0 GHABHN CC(C)CCC[C@@]1(C)Oc2c(O)cccc2[C@H]2OC[C@]3(CNCCO3)C[C@@H]21 ZINC000257324847 570781881 /nfs/dbraw/zinc/78/18/81/570781881.db2.gz WQLHDMNRNMQEAG-RGMHLJPOSA-N 0 3 375.509 3.806 40 0 GHABHN C[C@@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000010544112 570791821 /nfs/dbraw/zinc/79/18/21/570791821.db2.gz HOLGDQLYFNAQHI-OKILXGFUSA-N 0 3 393.380 3.781 40 0 GHABHN CCCC[C@@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1 ZINC000019502164 570927136 /nfs/dbraw/zinc/92/71/36/570927136.db2.gz HQHPYWFZAPQPGI-IBGZPJMESA-N 0 3 388.585 3.574 40 0 GHABHN Cc1ccc(C)c(CN2CCOC[C@]3(CC(=O)N(Cc4ccccc4)C3)C2)c1 ZINC000585103978 570929622 /nfs/dbraw/zinc/92/96/22/570929622.db2.gz HTNOKFGHGKMTGV-XMMPIXPASA-N 0 3 378.516 3.555 40 0 GHABHN COc1ccc(CN2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 ZINC000306129405 570938540 /nfs/dbraw/zinc/93/85/40/570938540.db2.gz ICDATFRAJWNURO-FQEVSTJZSA-N 0 3 385.471 3.789 40 0 GHABHN COc1cccc(CN2CC[C@@]3(C2)CN(Cc2cccnc2)c2cccnc23)c1 ZINC000306134577 570941611 /nfs/dbraw/zinc/94/16/11/570941611.db2.gz NSNAJGBSDAMFQW-XMMPIXPASA-N 0 3 386.499 3.649 40 0 GHABHN COc1c(C)cccc1CN1CCC([C@H](NC(=O)C2CC2)c2ccccn2)CC1 ZINC000019235925 570965909 /nfs/dbraw/zinc/96/59/09/570965909.db2.gz KOGBJVLSLOBOPB-QFIPXVFZSA-N 0 3 393.531 3.878 40 0 GHABHN Cc1ccnn1[C@@H](C)C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C ZINC000019238275 570967646 /nfs/dbraw/zinc/96/76/46/570967646.db2.gz GLXPYCVOSLIJCJ-MVWVFHAYSA-N 0 3 398.526 3.761 40 0 GHABHN COc1cccc(CN[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)c1 ZINC000019285172 570969227 /nfs/dbraw/zinc/96/92/27/570969227.db2.gz WQUFVJLSOHQKCE-NRFANRHFSA-N 0 3 388.471 3.642 40 0 GHABHN O=C1N[C@]2(COC3(C2)CCN(Cc2ccc(Cl)cc2)CC3)Nc2ccccc21 ZINC000019374622 570981624 /nfs/dbraw/zinc/98/16/24/570981624.db2.gz XEMDNJYTPCRCCG-JOCHJYFZSA-N 0 3 397.906 3.647 40 0 GHABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1c[nH]c2ccc(F)cc21 ZINC000019374897 570982041 /nfs/dbraw/zinc/98/20/41/570982041.db2.gz QUDNUGSXUNYYOT-RTWAWAEBSA-N 0 3 396.462 3.691 40 0 GHABHN CCc1nnsc1C(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C ZINC000019521881 570994894 /nfs/dbraw/zinc/99/48/94/570994894.db2.gz ADUDPYMDOQKEEY-BHIYHBOVSA-N 0 3 384.549 3.583 40 0 GHABHN Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)CN2CCCCCC2)c1C ZINC000019558151 571004426 /nfs/dbraw/zinc/00/44/26/571004426.db2.gz FMSLTGODFGKPCV-LJQANCHMSA-N 0 3 399.539 3.622 40 0 GHABHN CCn1cc(CN2CCCCC[C@@H]3[C@@H]2C[C@@H](Cc2ccccc2)N3C(C)=O)cn1 ZINC000019712888 856427519 /nfs/dbraw/zinc/42/75/19/856427519.db2.gz OGLFXLSOGUQHTI-SMIHKQSGSA-N 0 3 394.563 3.880 40 0 GHABHN CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(CC[C@@H](C)c2ccccc2)C3)C1 ZINC000247961523 880094861 /nfs/dbraw/zinc/09/48/61/880094861.db2.gz VMDYUJXHFVICHB-NQIIRXRSSA-N 0 3 392.547 3.754 40 0 GHABHN CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(CC[C@H](C)c2ccccc2)C3)C1 ZINC000247961527 880095191 /nfs/dbraw/zinc/09/51/91/880095191.db2.gz VMDYUJXHFVICHB-RXVVDRJESA-N 0 3 392.547 3.754 40 0 GHABHN CCc1nccn1Cc1cc(CN2CC[C@](O)(c3ccccc3)C2)ccc1OC ZINC000012147706 221159934 /nfs/dbraw/zinc/15/99/34/221159934.db2.gz UXOMZKMNOWDCEQ-XMMPIXPASA-N 0 3 391.515 3.596 40 0 GHABHN Cc1cc(C)n(-c2cccc(CN(Cc3ccc4c(c3)OCO4)C[C@@H](C)O)c2)n1 ZINC000012185709 221164038 /nfs/dbraw/zinc/16/40/38/221164038.db2.gz MRBNOKQYRMLVCE-GOSISDBHSA-N 0 3 393.487 3.601 40 0 GHABHN CNc1cc(Nc2nccc([C@H]3CCCN(Cc4ccc(F)cc4)C3)n2)ncn1 ZINC000072377417 222244953 /nfs/dbraw/zinc/24/49/53/222244953.db2.gz UJHNGTNUTSNWLI-INIZCTEOSA-N 0 3 393.470 3.571 40 0 GHABHN CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)c2ccccc21 ZINC000096053034 222374320 /nfs/dbraw/zinc/37/43/20/222374320.db2.gz MUKUNRIWYKSAIE-FQEVSTJZSA-N 0 3 394.563 3.700 40 0 GHABHN CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3cnn(C)c3)CC2)c2ccccc21 ZINC000096053033 222375083 /nfs/dbraw/zinc/37/50/83/222375083.db2.gz MUKUNRIWYKSAIE-HXUWFJFHSA-N 0 3 394.563 3.700 40 0 GHABHN O=C(c1ccncc1)N1CC2(C1)CCN(Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000096071009 222376699 /nfs/dbraw/zinc/37/66/99/222376699.db2.gz RKNFOFRWDLHSRW-UHFFFAOYSA-N 0 3 389.421 3.839 40 0 GHABHN CN(C)CCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccncc2)n1 ZINC000329018340 570212670 /nfs/dbraw/zinc/21/26/70/570212670.db2.gz NPWMUCQQGWONCO-UHFFFAOYSA-N 0 3 390.535 3.975 40 0 GHABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000100750239 570276528 /nfs/dbraw/zinc/27/65/28/570276528.db2.gz JHPBQUQFLRXRBS-LLGFUMIMSA-N 0 3 397.567 3.941 40 0 GHABHN OCCN1CCN(CC/C=C2\c3ccccc3COc3ccc(Cl)cc32)CC1 ZINC000102036582 570286667 /nfs/dbraw/zinc/28/66/67/570286667.db2.gz RAAHIUIRJUOMAU-AERZKKPOSA-N 0 3 398.934 3.664 40 0 GHABHN CN(CCCNC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000222602250 570416487 /nfs/dbraw/zinc/41/64/87/570416487.db2.gz KXEPBDRQHFOZAH-HXUWFJFHSA-N 0 3 383.511 3.680 40 0 GHABHN Cc1cc(Nc2ncc(-c3ccccc3)s2)nc(C2CCN(CCO)CC2)n1 ZINC000143384958 570442139 /nfs/dbraw/zinc/44/21/39/570442139.db2.gz WRWXSTAFBJHFCZ-UHFFFAOYSA-N 0 3 395.532 3.824 40 0 GHABHN COc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000039758083 570449550 /nfs/dbraw/zinc/44/95/50/570449550.db2.gz JIMIPWSFSHUUGX-IBGZPJMESA-N 0 3 396.531 3.799 40 0 GHABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 ZINC000223262244 570454313 /nfs/dbraw/zinc/45/43/13/570454313.db2.gz JNMCWNVWAMEORQ-UXHICEINSA-N 0 3 383.565 3.532 40 0 GHABHN CCOC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038834595 570585967 /nfs/dbraw/zinc/58/59/67/570585967.db2.gz PXCAXGRELGJKCN-KRWDZBQOSA-N 0 3 384.451 3.853 40 0 GHABHN CC1CCN(Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000038836085 570587215 /nfs/dbraw/zinc/58/72/15/570587215.db2.gz ZJQAZGPIEQEGHC-UHFFFAOYSA-N 0 3 377.532 3.881 40 0 GHABHN Cc1ccc(NC(=O)CC2C(=O)N(C3CC3)c3nc4ccccc4n32)c(F)c1 ZINC000039964155 570594705 /nfs/dbraw/zinc/59/47/05/570594705.db2.gz BDVNBHJIDXVTIL-SFHVURJKSA-N 0 3 378.407 3.563 40 0 GHABHN CCOc1ccccc1-c1cc(C(=O)N2CCC[C@@H]3N(C)CCC[C@@]32C)[nH]n1 ZINC000257204591 570760485 /nfs/dbraw/zinc/76/04/85/570760485.db2.gz AVJBLCMWNJVLNM-UNMCSNQZSA-N 0 3 382.508 3.564 40 0 GHABHN c1ccc2c3nc(-c4cccnc4)nn3c(SCCN3CCCCC3)nc2c1 ZINC000013640175 570863069 /nfs/dbraw/zinc/86/30/69/570863069.db2.gz MBVJCLUUEGZJEQ-UHFFFAOYSA-N 0 3 390.516 3.918 40 0 GHABHN COc1ccccc1CC(=O)NC[C@H]1CC[C@H]([C@H](c2ccccn2)N(C)C)CC1 ZINC000257330257 570909115 /nfs/dbraw/zinc/90/91/15/570909115.db2.gz XNPUCJFAWGCFNP-KHCICDEESA-N 0 3 395.547 3.858 40 0 GHABHN COc1ccc(CN2CCC[C@H](c3noc(-c4cnc(C)cn4)n3)C2)c(C)c1C ZINC000019239029 570968162 /nfs/dbraw/zinc/96/81/62/570968162.db2.gz KNBSSPPZWSWDTG-SFHVURJKSA-N 0 3 393.491 3.840 40 0 GHABHN COc1cc(CN2CCC[C@H](c3nn(C)c4nccnc34)C2)ccc1OC(C)C ZINC000019450764 570985055 /nfs/dbraw/zinc/98/50/55/570985055.db2.gz QLSGQKAXCQXEJP-KRWDZBQOSA-N 0 3 395.507 3.539 40 0 GHABHN Cc1occc1-c1cc2nc([C@H]3CCCN(Cc4ccncc4)C3)cc(N)n2n1 ZINC000019583122 571014100 /nfs/dbraw/zinc/01/41/00/571014100.db2.gz FPLOOQTZMQCXBH-KRWDZBQOSA-N 0 3 388.475 3.655 40 0 GHABHN CN(C)C(=O)c1ccc([C@@H]2CCCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)nc1 ZINC000019705892 571031870 /nfs/dbraw/zinc/03/18/70/571031870.db2.gz YKHBNGGICNCRMZ-LJQANCHMSA-N 0 3 393.531 3.877 40 0 GHABHN Cc1cc(Nc2cc(-c3ccncc3)nc(NCCN(C)C)n2)ccc1Cl ZINC000328964064 571047722 /nfs/dbraw/zinc/04/77/22/571047722.db2.gz BSOQNFXNKDXZLI-UHFFFAOYSA-N 0 3 382.899 3.639 40 0 GHABHN COc1c(C)cccc1CN1CCC[C@@H]([C@@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000019235944 856421307 /nfs/dbraw/zinc/42/13/07/856421307.db2.gz OEQRTXAFJKWUBA-DENIHFKCSA-N 0 3 393.531 3.878 40 0 GHABHN Cc1ccc(N2CCN(CCCN3CCN(c4cccc(C)c4)CC3)CC2)cc1 ZINC000002022101 212261835 /nfs/dbraw/zinc/26/18/35/212261835.db2.gz KAIFYSPLOOIVRV-UHFFFAOYSA-N 0 3 392.591 3.638 40 0 GHABHN CN(C)CCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccn2)n1 ZINC000329045958 212095068 /nfs/dbraw/zinc/09/50/68/212095068.db2.gz TYNIGPAVALYKNO-UHFFFAOYSA-N 0 3 390.535 3.975 40 0 GHABHN CC(C)(C)c1ccc([C@H](O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000012292275 221175804 /nfs/dbraw/zinc/17/58/04/221175804.db2.gz XLFUNISZKVMDKD-HXUWFJFHSA-N 0 3 397.515 3.730 40 0 GHABHN COc1cccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)c1 ZINC000012330046 221182126 /nfs/dbraw/zinc/18/21/26/221182126.db2.gz OAHMNRCHVPFMQI-VXKWHMMOSA-N 0 3 397.515 3.696 40 0 GHABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012329902 221182992 /nfs/dbraw/zinc/18/29/92/221182992.db2.gz ZLQGCNQIYZJAPZ-YADHBBJMSA-N 0 3 397.515 3.696 40 0 GHABHN c1ccc2c(c1)cccc2CN(CCCN1CCOCC1)Cc1cccnc1 ZINC000013569038 221274353 /nfs/dbraw/zinc/27/43/53/221274353.db2.gz XPALUIURMKGPEY-UHFFFAOYSA-N 0 3 375.516 3.959 40 0 GHABHN OCc1ccc(-c2cncc([C@@H]3CCCN(CCOc4ccccc4)C3)n2)cc1 ZINC000072359620 222239265 /nfs/dbraw/zinc/23/92/65/222239265.db2.gz OYMPJZVIHICOCG-OAQYLSRUSA-N 0 3 389.499 3.894 40 0 GHABHN COc1ccc(OCCc2cc([C@H]3CCN(Cc4cnc(C)s4)C3)n[nH]2)cc1 ZINC000072371793 222242116 /nfs/dbraw/zinc/24/21/16/222242116.db2.gz GNVDWOXSRZLYPJ-INIZCTEOSA-N 0 3 398.532 3.794 40 0 GHABHN COc1ccc(OCCc2cc([C@H]3CCN(Cc4cnc(C)s4)C3)[nH]n2)cc1 ZINC000072371793 222242121 /nfs/dbraw/zinc/24/21/21/222242121.db2.gz GNVDWOXSRZLYPJ-INIZCTEOSA-N 0 3 398.532 3.794 40 0 GHABHN Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCN2C(=O)C2CCN(C)CC2)n1 ZINC000072384486 222247326 /nfs/dbraw/zinc/24/73/26/222247326.db2.gz BSWMBKKOFKSMFT-SFHVURJKSA-N 0 3 398.482 3.722 40 0 GHABHN Cc1ccc(CN2CCC[C@]3(CCN(C(=O)c4cccc(N(C)C)c4)C3)C2)o1 ZINC000096215900 222398683 /nfs/dbraw/zinc/39/86/83/222398683.db2.gz LVZBGWABXOXCSZ-QHCPKHFHSA-N 0 3 381.520 3.782 40 0 GHABHN C[C@@]1(O)CCN(CCCc2ccccc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514289922 560031466 /nfs/dbraw/zinc/03/14/66/560031466.db2.gz NKHFBCMKLMJUTF-SONWIMMPSA-N 0 3 392.543 3.712 40 0 biogenic,in-vitro GHABHN CC(C)CCN1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1cccs1 ZINC000514288731 560034152 /nfs/dbraw/zinc/03/41/52/560034152.db2.gz BDWSLUHUDZKLRX-IRFCIJBXSA-N 0 3 378.582 3.967 40 0 biogenic,in-vitro GHABHN COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCCN2CC2CC2)cc1 ZINC000019766515 570217806 /nfs/dbraw/zinc/21/78/06/570217806.db2.gz BVQYLCOSIRGZKM-OAQYLSRUSA-N 0 3 394.519 3.661 40 0 GHABHN CC(=O)Nc1ccc(CN2CCC[C@@](O)(COc3ccccc3F)CC2)cc1 ZINC000585270164 570239249 /nfs/dbraw/zinc/23/92/49/570239249.db2.gz HJIIRNOLPDFLPA-QFIPXVFZSA-N 0 3 386.467 3.580 40 0 GHABHN CC(C)(C)[C@H]1CC[C@H](N2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585286871 570256185 /nfs/dbraw/zinc/25/61/85/570256185.db2.gz JRLQAAIYCDRRCA-SFGWALBWSA-N 0 3 379.516 3.873 40 0 GHABHN COc1ccc(CC(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)N(C)C)CC2)cc1 ZINC000100750210 570276449 /nfs/dbraw/zinc/27/64/49/570276449.db2.gz FWJSYLMVJZVMIJ-JXALWOEJSA-N 0 3 395.547 3.858 40 0 GHABHN CC(C)[C@@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000022929875 570379478 /nfs/dbraw/zinc/37/94/78/570379478.db2.gz POTUVEWKKVJUPS-QFIPXVFZSA-N 0 3 396.583 3.563 40 0 GHABHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2 ZINC000222732776 570422920 /nfs/dbraw/zinc/42/29/20/570422920.db2.gz XYRZQTRYZQZELE-VQIMIIECSA-N 0 3 398.478 3.686 40 0 GHABHN CN1CCC(Oc2ccc(NC(=O)c3ccc(Cn4ccnc4)cc3)cc2)CC1 ZINC000224243151 570505266 /nfs/dbraw/zinc/50/52/66/570505266.db2.gz GTPXLTQTOPRBNK-UHFFFAOYSA-N 0 3 390.487 3.657 40 0 GHABHN CCc1ccc(OCCNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000224531411 570516667 /nfs/dbraw/zinc/51/66/67/570516667.db2.gz QFONKWJIZMYPLS-UHFFFAOYSA-N 0 3 380.532 3.965 40 0 GHABHN Cc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000044852901 570636105 /nfs/dbraw/zinc/63/61/05/570636105.db2.gz MNROALBUVQOBLU-SFHVURJKSA-N 0 3 384.495 3.930 40 0 GHABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NCCOc2ccc(F)cc2)c1 ZINC000257243755 570768994 /nfs/dbraw/zinc/76/89/94/570768994.db2.gz IIKYCASMZICRQX-UHFFFAOYSA-N 0 3 393.462 3.758 40 0 GHABHN CC(=O)Nc1nc2nc(C3CCN(Cc4scnc4C)CC3)ccc2s1 ZINC000257250040 570770121 /nfs/dbraw/zinc/77/01/21/570770121.db2.gz JKSUZZVUXCISIY-UHFFFAOYSA-N 0 3 387.534 3.794 40 0 GHABHN CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CCN(Cc3ccccc3C)C2)nc1C ZINC000257285090 570775382 /nfs/dbraw/zinc/77/53/82/570775382.db2.gz PFPNZPNCVHYGJJ-OAQYLSRUSA-N 0 3 394.563 3.802 40 0 GHABHN CN(C)Cc1cccc(-c2cccnc2C(=O)N(C)CCOc2ccccc2)c1 ZINC000257283984 570775687 /nfs/dbraw/zinc/77/56/87/570775687.db2.gz PATVBECTHJHUHV-UHFFFAOYSA-N 0 3 389.499 3.961 40 0 GHABHN O=C1CO[C@@]2(CN1CCc1ccccc1)CCCN(Cc1ccccc1F)CC2 ZINC000257339928 570783875 /nfs/dbraw/zinc/78/38/75/570783875.db2.gz ZDTXZLZRNUISSF-DEOSSOPVSA-N 0 3 396.506 3.652 40 0 GHABHN CC1CCN(CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000010541036 570791577 /nfs/dbraw/zinc/79/15/77/570791577.db2.gz NJZKHIFKYQBZSX-UHFFFAOYSA-N 0 3 379.353 3.535 40 0 GHABHN Cc1cc(C)cc(CN2CCC3(CC2)CN(C)C(=O)c2cn(CC(C)C)nc23)c1 ZINC000306138714 570943825 /nfs/dbraw/zinc/94/38/25/570943825.db2.gz SFEQAMLNNIBGAR-UHFFFAOYSA-N 0 3 394.563 3.775 40 0 GHABHN O=c1cc(C[C@H](NCc2cccnc2)c2ccc(F)cc2)nc(C2CCC2)[nH]1 ZINC000019339690 570977209 /nfs/dbraw/zinc/97/72/09/570977209.db2.gz IDJAGNMYSXUWBK-FQEVSTJZSA-N 0 3 378.451 3.645 40 0 GHABHN O=C(c1cc([C@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1)N1CCCC1 ZINC000019347021 570978102 /nfs/dbraw/zinc/97/81/02/570978102.db2.gz WRSCDVSYIYSHDM-IBGZPJMESA-N 0 3 390.487 3.838 40 0 GHABHN O=C(c1cc([C@H]2CCCN(Cc3ccnc4ccccc34)C2)no1)N1CCCC1 ZINC000019376079 570982298 /nfs/dbraw/zinc/98/22/98/570982298.db2.gz POQNSJPWSYDTEO-SFHVURJKSA-N 0 3 390.487 3.838 40 0 GHABHN CNc1cc([C@H]2CCCN(Cc3ccc(OC)cc3)C2)nc(-c2cccnc2)n1 ZINC000019592204 571019059 /nfs/dbraw/zinc/01/90/59/571019059.db2.gz ZYCFQFQOYUALMS-IBGZPJMESA-N 0 3 389.503 3.969 40 0 GHABHN C[C@@H]1CCCN(c2ncc(CN(Cc3ccccc3)C3CCN(C)CC3)cn2)C1 ZINC000019715680 571037392 /nfs/dbraw/zinc/03/73/92/571037392.db2.gz QDZYTGBTPMEHHW-HXUWFJFHSA-N 0 3 393.579 3.809 40 0 GHABHN Cc1nc(C)c(S(=O)(=O)N[C@@H](CCN2CCCCC2)c2ccccc2)s1 ZINC000019715986 571037953 /nfs/dbraw/zinc/03/79/53/571037953.db2.gz UKLSMMQQKXZBRD-SFHVURJKSA-N 0 3 393.578 3.656 40 0 GHABHN OCCN1CCC(c2cncc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000143346340 857240955 /nfs/dbraw/zinc/24/09/55/857240955.db2.gz IXMDHZWXSIXNPV-UHFFFAOYSA-N 0 3 381.505 3.515 40 0 GHABHN COc1ccc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000011715897 221123594 /nfs/dbraw/zinc/12/35/94/221123594.db2.gz HQJKWOGIKJYUAC-SFHVURJKSA-N 0 3 382.504 3.765 40 0 GHABHN Cc1ccccc1C1(O)CCN(Cc2cn(CCCO)c3ccccc23)CC1 ZINC000012118287 221152665 /nfs/dbraw/zinc/15/26/65/221152665.db2.gz KFAMWNJDFGXLND-UHFFFAOYSA-N 0 3 378.516 3.816 40 0 GHABHN CC(=O)N1CCCc2cc([C@H](O)CN3CCC(Cc4ccccc4)CC3)ccc21 ZINC000012326498 221182734 /nfs/dbraw/zinc/18/27/34/221182734.db2.gz XPAIBSGIZFUMQR-RUZDIDTESA-N 0 3 392.543 3.974 40 0 GHABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)CCC2 ZINC000012330203 221182821 /nfs/dbraw/zinc/18/28/21/221182821.db2.gz AKXALPNEXAIYSV-VXKWHMMOSA-N 0 3 397.490 3.699 40 0 GHABHN COc1ccccc1CN1CCC[C@@H]([C@@H]2CN(C(C)=O)Cc3ccccc3O2)C1 ZINC000012235564 221172081 /nfs/dbraw/zinc/17/20/81/221172081.db2.gz VQOWNOUTBHBUHD-YKSBVNFPSA-N 0 3 394.515 3.717 40 0 GHABHN CC[C@@H](CN1CCCCC1)NC(=O)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000012239787 221172132 /nfs/dbraw/zinc/17/21/32/221172132.db2.gz WJFJNHZZGQCDPL-FQEVSTJZSA-N 0 3 382.552 3.721 40 0 GHABHN CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000019083696 221396336 /nfs/dbraw/zinc/39/63/36/221396336.db2.gz AGUQXDPDBFXVOG-YVWKXTFCSA-N 0 3 384.499 3.549 40 0 GHABHN COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)C3CCN(C)CC3)C2)n1 ZINC000072350381 222237820 /nfs/dbraw/zinc/23/78/20/222237820.db2.gz MDRIHJPDCNQFQB-LJQANCHMSA-N 0 3 393.531 3.805 40 0 GHABHN O=C(CCc1ccc2c(c1)OCO2)NCc1ccccc1CN1CCCCC1 ZINC000105282033 534465074 /nfs/dbraw/zinc/46/50/74/534465074.db2.gz WZZWPKCBMGBCHR-UHFFFAOYSA-N 0 3 380.488 3.650 40 0 GHABHN CN(C)[C@H]1CCN(C(=O)c2cc(-c3ccn(C4CCCC4)n3)n3ccccc23)C1 ZINC000096266714 570227353 /nfs/dbraw/zinc/22/73/53/570227353.db2.gz IXIDBWSYQZYVEZ-SFHVURJKSA-N 0 3 391.519 3.694 40 0 GHABHN CN1CCN(CCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)CC1 ZINC000022935049 570338383 /nfs/dbraw/zinc/33/83/83/570338383.db2.gz GWSRZKRKVUTRER-DYTRJAOYSA-N 0 3 397.950 3.634 40 0 GHABHN CCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000039757690 570449113 /nfs/dbraw/zinc/44/91/13/570449113.db2.gz BJCGCMMVSIUFMT-UHFFFAOYSA-N 0 3 393.531 3.986 40 0 GHABHN CCSc1nnc(NC(=O)C2CCN(Cc3ccccc3C)CC2)s1 ZINC000223343545 570460381 /nfs/dbraw/zinc/46/03/81/570460381.db2.gz VDRIPAXOBJZZBA-UHFFFAOYSA-N 0 3 376.551 3.809 40 0 GHABHN COc1cccc(OCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000224331747 570509327 /nfs/dbraw/zinc/50/93/27/570509327.db2.gz GXKVEOGSMQJISH-UHFFFAOYSA-N 0 3 382.504 3.736 40 0 GHABHN COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000038851861 570588287 /nfs/dbraw/zinc/58/82/87/570588287.db2.gz MDULKIRJYZNTNK-SFHVURJKSA-N 0 3 384.451 3.771 40 0 GHABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cc(-c3ccccc3F)no1)C2 ZINC000257278499 570775074 /nfs/dbraw/zinc/77/50/74/570775074.db2.gz OCMHDALPVNAZIM-SHXMKPCDSA-N 0 3 383.467 3.958 40 0 GHABHN CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cnco1 ZINC000257310006 570779800 /nfs/dbraw/zinc/77/98/00/570779800.db2.gz UDHZZGSAXZHBDL-SLIDZQALSA-N 0 3 379.504 3.763 40 0 GHABHN CN1CCN(C(=O)CCC2CCCC2)C[C@H](Cc2ccnc3cccnc23)C1 ZINC000257333746 570783515 /nfs/dbraw/zinc/78/35/15/570783515.db2.gz YCXJNYKGJPCBAE-LJQANCHMSA-N 0 3 380.536 3.533 40 0 GHABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2F)CC1 ZINC000257202138 570887748 /nfs/dbraw/zinc/88/77/48/570887748.db2.gz AKQJVCYMGPJCCQ-BSRJHKFKSA-N 0 3 383.511 3.989 40 0 GHABHN Cc1ccc2ncc(CN3CCC4(CC(NC(=O)OCC(C)C)C4)CC3)n2c1 ZINC000585103499 570932264 /nfs/dbraw/zinc/93/22/64/570932264.db2.gz PGMFFQBYSABQRH-UHFFFAOYSA-N 0 3 384.524 3.770 40 0 GHABHN Cc1ccccc1CN1CCOC[C@@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 ZINC000585104818 570934053 /nfs/dbraw/zinc/93/40/53/570934053.db2.gz ULILCLOYLJCCFZ-RDPSFJRHSA-N 0 3 378.516 3.807 40 0 GHABHN COc1cccc(CN2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306131492 570939898 /nfs/dbraw/zinc/93/98/98/570939898.db2.gz KGKATXHBRWBYCU-IBGZPJMESA-N 0 3 391.519 3.718 40 0 GHABHN c1csc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306141202 570945317 /nfs/dbraw/zinc/94/53/17/570945317.db2.gz VOGLCUFDWGMXHA-NRFANRHFSA-N 0 3 395.484 3.515 40 0 GHABHN COc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2ncccc2C)c(OC)c1 ZINC000019237690 570967539 /nfs/dbraw/zinc/96/75/39/570967539.db2.gz NCJRGAYLHHSTFT-LIMIJEPZSA-N 0 3 382.504 3.527 40 0 GHABHN COc1ccc(CN2CCC([C@@H](NC(=O)C3CCC3)c3ccccn3)CC2)cc1 ZINC000019554944 571002896 /nfs/dbraw/zinc/00/28/96/571002896.db2.gz FENXDSZYDKATNN-HSZRJFAPSA-N 0 3 393.531 3.960 40 0 GHABHN Fc1cccc(-c2ccc(CN3CCC[C@H](c4nnc5n4CCNC5)C3)cc2)c1 ZINC000019711041 571035239 /nfs/dbraw/zinc/03/52/39/571035239.db2.gz GAYRYCUUGIHFEM-FQEVSTJZSA-N 0 3 391.494 3.567 40 0 GHABHN CC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc3ccccc3c2)nn1C ZINC000008635473 291130149 /nfs/dbraw/zinc/13/01/49/291130149.db2.gz SNEFWFVDGZYPMK-NNWRFLSQSA-N 0 3 388.515 3.554 40 0 biogenic,in-vitro GHABHN CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C3CCCCC3)CCN21 ZINC000253396089 212136321 /nfs/dbraw/zinc/13/63/21/212136321.db2.gz CZUDMPHTFVVCML-FQEVSTJZSA-N 0 3 389.971 3.893 40 0 biogenic,in-vitro GHABHN C[C@@H]1C[C@H](C)C[N@@H+](CCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000010544056 221104813 /nfs/dbraw/zinc/10/48/13/221104813.db2.gz NVIOCQOGJZGUAS-BETUJISGSA-N 0 3 379.353 3.640 40 0 GHABHN C[C@@H]1C[C@H](C)C[N@H+](CCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000010544056 221104815 /nfs/dbraw/zinc/10/48/15/221104815.db2.gz NVIOCQOGJZGUAS-BETUJISGSA-N 0 3 379.353 3.640 40 0 GHABHN C=Cn1ncc(CN2CCC(c3cc(N)n4nc(C(C)(C)C)cc4n3)CC2)c1C ZINC000012123203 221155753 /nfs/dbraw/zinc/15/57/53/221155753.db2.gz GSAHVALBFHUVGP-UHFFFAOYSA-N 0 3 393.539 3.594 40 0 GHABHN COc1ccc(CN2CCC(O)(c3ccc(C)cc3)CC2)cc1Cn1cccn1 ZINC000012292802 221176024 /nfs/dbraw/zinc/17/60/24/221176024.db2.gz FXCZFWXPRHADDL-UHFFFAOYSA-N 0 3 391.515 3.732 40 0 GHABHN COc1ccc([C@@H](O)CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000012292473 221176364 /nfs/dbraw/zinc/17/63/64/221176364.db2.gz SBNWZUGLFDAPCK-IBGZPJMESA-N 0 3 395.421 3.731 40 0 GHABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012329905 221182269 /nfs/dbraw/zinc/18/22/69/221182269.db2.gz ZLQGCNQIYZJAPZ-FGZHOGPDSA-N 0 3 397.515 3.696 40 0 GHABHN COc1cccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)c1 ZINC000012330038 221182599 /nfs/dbraw/zinc/18/25/99/221182599.db2.gz OAHMNRCHVPFMQI-YADHBBJMSA-N 0 3 397.515 3.696 40 0 GHABHN CCn1c2ccc(CN(Cc3ccc(C)s3)C[C@H](C)O)cc2n(CC)c1=O ZINC000012185888 221164218 /nfs/dbraw/zinc/16/42/18/221164218.db2.gz XLYFEQMMVSBHCI-HNNXBMFYSA-N 0 3 387.549 3.596 40 0 GHABHN COc1ccc(OC[C@@H](O)CN(C)Cc2c3cccnc3[nH]c2C(C)C)cc1 ZINC000057762053 222036644 /nfs/dbraw/zinc/03/66/44/222036644.db2.gz QRMFOXCNQJVINU-INIZCTEOSA-N 0 3 383.492 3.567 40 0 GHABHN CN1CCC(C(=O)N2CCC[C@H](c3cccc(Cc4ccccc4F)n3)C2)CC1 ZINC000072350396 222237234 /nfs/dbraw/zinc/23/72/34/222237234.db2.gz DSCOFTZNBXSECW-FQEVSTJZSA-N 0 3 395.522 3.859 40 0 GHABHN CN1CCC(C(=O)N2CCC[C@H](c3cccc(-c4ccccc4F)n3)C2)CC1 ZINC000072350376 222238219 /nfs/dbraw/zinc/23/82/19/222238219.db2.gz KMGRUOIYCFMLDD-SFHVURJKSA-N 0 3 381.495 3.936 40 0 GHABHN CC(=O)N1CCC(N2CCC[C@@H](c3nc(C)cc(Oc4ccccc4)n3)C2)CC1 ZINC000072363011 222240972 /nfs/dbraw/zinc/24/09/72/222240972.db2.gz ZNFQJHFWODEQLN-LJQANCHMSA-N 0 3 394.519 3.768 40 0 GHABHN Cc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)C3CCN(C)CC3)C2)cc1 ZINC000072363246 222241173 /nfs/dbraw/zinc/24/11/73/222241173.db2.gz YUCMQQILWXIEBR-LJQANCHMSA-N 0 3 394.519 3.625 40 0 GHABHN CC(C)c1ccc(OCCc2cc([C@@H]3CCN(Cc4ccnn4C)C3)n[nH]2)cc1 ZINC000072371591 222242166 /nfs/dbraw/zinc/24/21/66/222242166.db2.gz WEXMRYIFFWXAJA-LJQANCHMSA-N 0 3 393.535 3.878 40 0 GHABHN CC(C)c1ccc(OCCc2cc([C@@H]3CCN(Cc4ccnn4C)C3)[nH]n2)cc1 ZINC000072371591 222242169 /nfs/dbraw/zinc/24/21/69/222242169.db2.gz WEXMRYIFFWXAJA-LJQANCHMSA-N 0 3 393.535 3.878 40 0 GHABHN Cc1ccc(CN2CCC3(CC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)s1 ZINC000096051626 222374172 /nfs/dbraw/zinc/37/41/72/222374172.db2.gz QLQPNPZNOFMORC-IBGZPJMESA-N 0 3 390.574 3.780 40 0 GHABHN O=c1c(-c2cncnc2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2cc3ccccc3o2)C1 ZINC000004237336 560197746 /nfs/dbraw/zinc/19/77/46/560197746.db2.gz PVIZBZXWJRIXFX-FUHWJXTLSA-N 0 3 398.466 3.671 40 0 biogenic,in-vitro GHABHN OCCN1CCC(c2cccc(Nc3ncc(CC(F)(F)F)s3)n2)CC1 ZINC000585263101 570231757 /nfs/dbraw/zinc/23/17/57/570231757.db2.gz KANMUQOSHAGVQG-UHFFFAOYSA-N 0 3 386.443 3.558 40 0 GHABHN Clc1ccc(CN2CC[C@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000107248569 570309012 /nfs/dbraw/zinc/30/90/12/570309012.db2.gz ANNRKDDJFRFZTF-QFIPXVFZSA-N 0 3 392.890 3.866 40 0 GHABHN C[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000222717395 570422229 /nfs/dbraw/zinc/42/22/29/570422229.db2.gz UWLIPSNJFACVHB-MRXNPFEDSA-N 0 3 398.478 3.686 40 0 GHABHN O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1C(=O)c1ccccc1 ZINC000005681726 570451293 /nfs/dbraw/zinc/45/12/93/570451293.db2.gz NRVVTWYCFPNSTQ-SIKLNZKXSA-N 0 3 376.500 3.912 40 0 GHABHN COC(=O)c1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1C ZINC000038858177 570588524 /nfs/dbraw/zinc/58/85/24/570588524.db2.gz KYSMFNSKBCOEME-KRWDZBQOSA-N 0 3 384.451 3.771 40 0 GHABHN Cc1ncsc1CN1CCC2(CC1)OCC[C@H]2CCOCc1ccncc1 ZINC000248067002 570720539 /nfs/dbraw/zinc/72/05/39/570720539.db2.gz XIKRTKUQVMPESL-LJQANCHMSA-N 0 3 387.549 3.825 40 0 GHABHN CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cccnc2NC)C1 ZINC000257245098 570769439 /nfs/dbraw/zinc/76/94/39/570769439.db2.gz IOBMWTIKOJVVCP-AWEZNQCLSA-N 0 3 380.517 3.687 40 0 GHABHN CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccno1 ZINC000257255822 570770952 /nfs/dbraw/zinc/77/09/52/570770952.db2.gz KIZXXTADNOKYRW-SLIDZQALSA-N 0 3 379.504 3.763 40 0 GHABHN COc1ccc(-c2cc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCCC[C@@H]35)N4C)on2)cc1 ZINC000257312994 570779785 /nfs/dbraw/zinc/77/97/85/570779785.db2.gz UQOKEZDWHVZOJB-GCUYEVCFSA-N 0 3 395.503 3.828 40 0 GHABHN COc1cccc(C(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)N(C)C)CC2)c1 ZINC000257260592 570896900 /nfs/dbraw/zinc/89/69/00/570896900.db2.gz LDMWXTFTKNUZFH-JBYIUTFZSA-N 0 3 381.520 3.929 40 0 GHABHN Cc1ncsc1CN1CCC2(CC1)OCC[C@@H]2CCOCc1cccnc1 ZINC000585103959 570929596 /nfs/dbraw/zinc/92/95/96/570929596.db2.gz FCDGUGNOKUFNOA-IBGZPJMESA-N 0 3 387.549 3.825 40 0 GHABHN COc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccsc4)C2)OC3)c1 ZINC000306135117 570941462 /nfs/dbraw/zinc/94/14/62/570941462.db2.gz OIKUSWBVSHVTNI-NRFANRHFSA-N 0 3 381.501 3.795 40 0 GHABHN Fc1ccc(CN2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cc1 ZINC000306139799 570944355 /nfs/dbraw/zinc/94/43/55/570944355.db2.gz UAWYEGHIEVFEAC-GOSISDBHSA-N 0 3 379.483 3.848 40 0 GHABHN CCOc1ccc(CN2CCC(c3nnc4ncc(C5CC5)cn43)CC2)cc1 ZINC000306140469 570944697 /nfs/dbraw/zinc/94/46/97/570944697.db2.gz UULRGZYZYOQTSH-UHFFFAOYSA-N 0 3 377.492 3.780 40 0 GHABHN COCc1ccc(OC)c(CN2CCC(c3cc4ncc(C)nc4[nH]3)CC2)c1 ZINC000019239388 570968891 /nfs/dbraw/zinc/96/88/91/570968891.db2.gz SBISZRAJHLIPHR-UHFFFAOYSA-N 0 3 380.492 3.801 40 0 GHABHN CCCNC(=O)c1cc([C@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1 ZINC000019503693 570993414 /nfs/dbraw/zinc/99/34/14/570993414.db2.gz MUEBAMAWGUGYHH-SFHVURJKSA-N 0 3 378.476 3.742 40 0 GHABHN CCOC(=O)C1(C[C@@H]2CC(c3ccccc3C)=NO2)CCN(CC2CC2)CC1 ZINC000019530193 570998779 /nfs/dbraw/zinc/99/87/79/570998779.db2.gz JFRGYYZTCTWUGI-IBGZPJMESA-N 0 3 384.520 3.933 40 0 GHABHN COc1ccccc1CN1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CC1 ZINC000019570546 571009731 /nfs/dbraw/zinc/00/97/31/571009731.db2.gz GRQHMHMIQCTZAU-ACRUOGEOSA-N 0 3 396.556 3.983 40 0 GHABHN COc1ccccc1CN1CCC([C@@H](NC(=O)C2CC2)c2ccccn2)CC1 ZINC000019570090 571009772 /nfs/dbraw/zinc/00/97/72/571009772.db2.gz TXCFIMYIWUMDIH-JOCHJYFZSA-N 0 3 379.504 3.570 40 0 GHABHN Cc1nc2c(C)cccn2c1C(=O)Nc1cc(C)ccc1OCCN1CCCC1 ZINC000019716780 571038614 /nfs/dbraw/zinc/03/86/14/571038614.db2.gz XMWSVJRVCNZKDB-UHFFFAOYSA-N 0 3 392.503 3.986 40 0 GHABHN