smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](CN3CCN(CCO)CC3)C=C2C)o1 ZINC000035442699 291234030 /nfs/dbraw/zinc/23/40/30/291234030.db2.gz SEUULPMQXPZIMG-ACRUOGEOSA-N 0 3 404.599 3.029 40 0 biogenic,in-vitro HGABHN O[C@@H]1C[C@H](c2ccc(C(F)(F)F)nc2)[C@@H](NCc2cnc3ccccc3c2)[C@@H]1O ZINC000077261958 291246191 /nfs/dbraw/zinc/24/61/91/291246191.db2.gz YIPRAAGBKGHVIA-RARDXLECSA-N 0 3 403.404 3.016 40 0 biogenic,in-vitro HGABHN C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857113 524912402 /nfs/dbraw/zinc/91/24/02/524912402.db2.gz QQVWSEQSLUQBCX-KRWDZBQOSA-N 0 3 400.544 3.180 40 0 HGABHN Cc1c(CN2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c2ccccc2n1C ZINC000072338964 525703997 /nfs/dbraw/zinc/70/39/97/525703997.db2.gz UCDPEJKCAMFMOJ-HSZRJFAPSA-N 0 3 424.570 3.429 40 0 HGABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(C)c3OC)cc2)CC1 ZINC000006517679 557706114 /nfs/dbraw/zinc/70/61/14/557706114.db2.gz ZGLBCOJVGAWSPM-UHFFFAOYSA-N 0 3 412.559 3.272 40 0 HGABHN Cc1ncc(C(=O)N2CCCC2)c(CC2CCN(Cc3c[nH]nc3C(C)(C)C)CC2)n1 ZINC000019757189 558274861 /nfs/dbraw/zinc/27/48/61/558274861.db2.gz SNPYQACNATYCHB-UHFFFAOYSA-N 0 3 424.593 3.496 40 0 HGABHN CCC(=O)N1CCc2cc([C@H](O)CN3CCC(O)(c4ccc(C)cc4)CC3)ccc21 ZINC000012181116 558342683 /nfs/dbraw/zinc/34/26/83/558342683.db2.gz LYYNOWRTTGYYLJ-HSZRJFAPSA-N 0 3 408.542 3.311 40 0 HGABHN CC(C)NC(=O)Cn1cc(CN2CCC[C@H](CN3CCCC3=O)C2)c2ccccc21 ZINC000012220232 558355272 /nfs/dbraw/zinc/35/52/72/558355272.db2.gz CRTANKIWCGUTCS-IBGZPJMESA-N 0 3 410.562 3.000 40 0 HGABHN C[NH+](C)Cc1ccc(C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)cc1 ZINC000012325652 558383155 /nfs/dbraw/zinc/38/31/55/558383155.db2.gz SMIJDWDKYKWOCK-UHFFFAOYSA-N 0 3 417.513 3.326 40 0 HGABHN C/C=C\C(/C=C\C)(C(=O)OCCN(C)C)C(/C=C\C)(/C=C\C)C(=O)OCCN(C)C ZINC000031628409 558751473 /nfs/dbraw/zinc/75/14/73/558751473.db2.gz SJIGIIJSBLTQJU-NONDJZLBSA-N 0 3 420.594 3.473 40 0 HGABHN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000034257318 558773537 /nfs/dbraw/zinc/77/35/37/558773537.db2.gz RJIRXXZCCHBEJI-LZWOXQAQSA-N 0 3 409.313 3.014 40 0 HGABHN O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(CN2CCCCC2)cc1 ZINC000038831638 558816899 /nfs/dbraw/zinc/81/68/99/558816899.db2.gz AZRCGSAIKQFNSE-UHFFFAOYSA-N 0 3 407.558 3.435 40 0 HGABHN Cc1cc2c(cc1CN1CCC([C@@H](NC(=O)C(F)F)c3ccccn3)CC1)OCO2 ZINC000019125521 558844591 /nfs/dbraw/zinc/84/45/91/558844591.db2.gz IZBXWIVYGCNIOY-HXUWFJFHSA-N 0 3 417.456 3.453 40 0 HGABHN c1ccc(CN2CCC[C@@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)nc1 ZINC000019401622 558883629 /nfs/dbraw/zinc/88/36/29/558883629.db2.gz SFISTZLIZUFIFQ-HXUWFJFHSA-N 0 3 416.529 3.150 40 0 HGABHN COc1cccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)c1 ZINC000019448345 558887410 /nfs/dbraw/zinc/88/74/10/558887410.db2.gz RJQRWQPPNFNZQI-OAQYLSRUSA-N 0 3 424.545 3.254 40 0 HGABHN COc1cccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)c1 ZINC000019448345 558887411 /nfs/dbraw/zinc/88/74/11/558887411.db2.gz RJQRWQPPNFNZQI-OAQYLSRUSA-N 0 3 424.545 3.254 40 0 HGABHN CC(C)OC[C@@H](O)CN1CCN(Cc2c3cccnc3[nH]c2-c2cccs2)CC1 ZINC000019450398 558888907 /nfs/dbraw/zinc/88/89/07/558888907.db2.gz UJEHQMZRGYUMAO-KRWDZBQOSA-N 0 3 414.575 3.195 40 0 HGABHN CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NC[C@@H](C)N3CCC(C)CC3)c2N1 ZINC000019520884 558902292 /nfs/dbraw/zinc/90/22/92/558902292.db2.gz WCGCQEJTTKUFCJ-YCPHGPKFSA-N 0 3 401.477 3.431 40 0 HGABHN CCN1CCN(CC2=CCCOC2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527441 558908597 /nfs/dbraw/zinc/90/85/97/558908597.db2.gz ABEDEFHDBNTABR-DEOSSOPVSA-N 0 3 405.542 3.418 40 0 HGABHN COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[n-]c(NCCCc3ccccn3)n2)c1 ZINC000019566202 558925829 /nfs/dbraw/zinc/92/58/29/558925829.db2.gz NMXYYYXPVOYCSH-VQTJNVASSA-N 0 3 405.502 3.101 40 0 HGABHN COc1cc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cc(OC)c1OC ZINC000072327092 558933857 /nfs/dbraw/zinc/93/38/57/558933857.db2.gz PAQJYZAUPJSJMN-UHFFFAOYSA-N 0 3 422.529 3.192 40 0 HGABHN Cc1c([C@H](O)CN2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc2n1C ZINC000019581797 558937081 /nfs/dbraw/zinc/93/70/81/558937081.db2.gz VIKLMTOUBDCLTD-HSZRJFAPSA-N 0 3 418.541 3.397 40 0 HGABHN COCc1ccc(OC)c(CN2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)c1 ZINC000019594350 558945294 /nfs/dbraw/zinc/94/52/94/558945294.db2.gz ZFIMJSNASFBZKU-KRWDZBQOSA-N 0 3 413.547 3.469 40 0 HGABHN Cc1ccc(CC(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@@H]2CN(C)C)cc1 ZINC000072394955 558973753 /nfs/dbraw/zinc/97/37/53/558973753.db2.gz KENWIABETVAWCT-RPWUZVMVSA-N 0 3 421.585 3.353 40 0 HGABHN C[C@H]1C[C@@H]1C(=O)N1CCC(c2nc3c(c(=O)[n-]2)C[N@H+](CC2CCCCC2)CC3)CC1 ZINC000072398735 558976374 /nfs/dbraw/zinc/97/63/74/558976374.db2.gz DJNQQKJQDPXHIO-LPHOPBHVSA-N 0 3 412.578 3.070 40 0 HGABHN C[C@H]1C[C@@H]1C(=O)N1CCC(c2nc3c(c(=O)[n-]2)C[N@@H+](CC2CCCCC2)CC3)CC1 ZINC000072398735 558976377 /nfs/dbraw/zinc/97/63/77/558976377.db2.gz DJNQQKJQDPXHIO-LPHOPBHVSA-N 0 3 412.578 3.070 40 0 HGABHN Cc1c(C(=O)Nc2cc(C)ccc2OCCN(C)C)sc2[nH]c(C)nc(=O)c12 ZINC000019718994 558982557 /nfs/dbraw/zinc/98/25/57/558982557.db2.gz VSYHNWGHDZTPNW-UHFFFAOYSA-N 0 3 400.504 3.103 40 0 HGABHN C[C@H](CN1C[C@H]2CN(S(=O)(=O)c3cc(F)cc(F)c3)CC[C@H]21)c1ccccc1 ZINC000585108037 559029829 /nfs/dbraw/zinc/02/98/29/559029829.db2.gz XKSOIVWCAUSGSI-LDBYXDLTSA-N 0 3 406.498 3.463 40 0 HGABHN O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000585183670 559070472 /nfs/dbraw/zinc/07/04/72/559070472.db2.gz ZCSWSOBMHIZHLA-FQEVSTJZSA-N 0 3 409.452 3.395 40 0 HGABHN Cc1occc1C(=O)N1CCC2(C[C@@H](CC(=O)NCCN(C)C)c3ccccc32)CC1 ZINC000096052886 559092607 /nfs/dbraw/zinc/09/26/07/559092607.db2.gz CCMDCFFJJVMETI-LJQANCHMSA-N 0 3 423.557 3.317 40 0 HGABHN CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21 ZINC000096052883 559092656 /nfs/dbraw/zinc/09/26/56/559092656.db2.gz LAWFNRMFYPRDNT-LJQANCHMSA-N 0 3 409.530 3.009 40 0 HGABHN CN(C)C(=O)n1c(C(=O)N2CC[C@H](N(C)C)C2)cc2c1c1ccccc1n2CC1CC1 ZINC000096146527 559097910 /nfs/dbraw/zinc/09/79/10/559097910.db2.gz JGLQEDCWUDSRAS-KRWDZBQOSA-N 0 3 421.545 3.312 40 0 HGABHN Cc1ccc(CN2CCC3(CC2)O[C@H](C(=O)N2CCCC2)Cn2ccnc23)cc1C ZINC000096243698 559104806 /nfs/dbraw/zinc/10/48/06/559104806.db2.gz SHGDJBWWWZPDFK-NRFANRHFSA-N 0 3 408.546 3.012 40 0 HGABHN Cn1ccnc1COc1ccc(CN2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585270784 559116395 /nfs/dbraw/zinc/11/63/95/559116395.db2.gz QMYIWFHHKVLDBQ-DEOSSOPVSA-N 0 3 407.514 3.405 40 0 HGABHN Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CNCCO2)ccc1Cl ZINC000585271323 559116647 /nfs/dbraw/zinc/11/66/47/559116647.db2.gz FCHHHDQBYKAWPO-JOCHJYFZSA-N 0 3 402.922 3.435 40 0 HGABHN CO[C@@]1(COc2ccccc2F)CCCN(CC(=O)NCc2ccccc2)CC1 ZINC000585272067 559117919 /nfs/dbraw/zinc/11/79/19/559117919.db2.gz FJUGKHQNJMPUAO-QHCPKHFHSA-N 0 3 400.494 3.392 40 0 HGABHN Cc1cccc(OC[C@@]2(O)CN(C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CC[C@@H]2O)c1 ZINC000585287200 559122175 /nfs/dbraw/zinc/12/21/75/559122175.db2.gz KXVLGQITDZTHHE-SJROBZAFSA-N 0 3 405.579 3.139 40 0 HGABHN Cc1[nH]nc2c1C(c1cnn(C)c1)c1c3nc(-c4ccccc4Cl)nn3cnc1O2 ZINC000017091670 559122700 /nfs/dbraw/zinc/12/27/00/559122700.db2.gz ASMQHNSLUTZJIY-HNNXBMFYSA-N 0 3 418.848 3.496 40 0 HGABHN Cc1cccc2cc(CN(CCN(C)C)C(=S)NCCc3ccccc3)c(=O)[nH]c12 ZINC000004133476 560600474 /nfs/dbraw/zinc/60/04/74/560600474.db2.gz IKTOYUWMRWLDCO-UHFFFAOYSA-N 0 3 422.598 3.317 40 0 HGABHN Cc1cc2cc(CN(CCN(C)C)C(=S)NCc3ccco3)c(=O)[nH]c2cc1C ZINC000004133565 560600654 /nfs/dbraw/zinc/60/06/54/560600654.db2.gz ZFRZFSNWWRAZBB-UHFFFAOYSA-N 0 3 412.559 3.176 40 0 HGABHN COc1c(Br)cc(Br)cc1CNCCCN1CCOCC1 ZINC000008469486 560755258 /nfs/dbraw/zinc/75/52/58/560755258.db2.gz BNFSGHWGMVRWLP-UHFFFAOYSA-N 0 3 422.161 3.032 40 0 HGABHN CCN1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(OC)cc3)cc2)CC1 ZINC000017094084 560868603 /nfs/dbraw/zinc/86/86/03/560868603.db2.gz QBJDPOZXKVQPFT-AWNIVKPZSA-N 0 3 424.570 3.364 40 0 HGABHN Cc1ccc([C@@H](CNC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)N(C)C)cc1 ZINC000019136431 560871978 /nfs/dbraw/zinc/87/19/78/560871978.db2.gz WWSHJNGYLJNVMF-YOTRHBAISA-N 0 3 407.562 3.301 40 0 HGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000004167936 560893472 /nfs/dbraw/zinc/89/34/72/560893472.db2.gz CSAGVHLTZREPBO-VSKRKVRLSA-N 0 3 416.433 3.452 40 0 HGABHN CN1CCC(Oc2ccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)CC1 ZINC000219141206 568487197 /nfs/dbraw/zinc/48/71/97/568487197.db2.gz SPDGBKGYULSKJP-UHFFFAOYSA-N 0 3 421.497 3.175 40 0 HGABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 ZINC000223521801 568550901 /nfs/dbraw/zinc/55/09/01/568550901.db2.gz ZBXLDAAZLFNNNX-INIZCTEOSA-N 0 3 413.609 3.300 40 0 HGABHN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000223714474 568557049 /nfs/dbraw/zinc/55/70/49/568557049.db2.gz QJFGOURJGYBVGF-SFTDATJTSA-N 0 3 421.526 3.193 40 0 HGABHN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000223714525 568557099 /nfs/dbraw/zinc/55/70/99/568557099.db2.gz QJFGOURJGYBVGF-RTWAWAEBSA-N 0 3 421.526 3.193 40 0 HGABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000224008629 568566097 /nfs/dbraw/zinc/56/60/97/568566097.db2.gz HXDRUJXVXBWPMZ-AWEZNQCLSA-N 0 3 402.944 3.060 40 0 HGABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000242473239 568599090 /nfs/dbraw/zinc/59/90/90/568599090.db2.gz FDKSSCHDQAEKOZ-JQVVWYNYSA-N 0 3 416.543 3.157 40 0 HGABHN CC(C)n1c2ccc(S(=O)(=O)NCCCN3CCC[C@H](C)C3)cc2sc1=O ZINC000260802906 568740345 /nfs/dbraw/zinc/74/03/45/568740345.db2.gz QADILPLIDMYTGM-HNNXBMFYSA-N 0 3 411.593 3.044 40 0 HGABHN CNC(=O)[C@@]1(c2ccccn2)CCCN(Cc2cccc(OCc3ccccn3)c2)C1 ZINC000257262253 568793491 /nfs/dbraw/zinc/79/34/91/568793491.db2.gz LKSNRYRHGLQCIV-VWLOTQADSA-N 0 3 416.525 3.335 40 0 HGABHN CN1CCC(C(=O)NC[C@@H]2CC[C@@]3(C)C[C@H](c4ccccc4)C[C@](C)(O3)[C@H]2O)CC1 ZINC000257321214 568810817 /nfs/dbraw/zinc/81/08/17/568810817.db2.gz WAPNUCVFLBBNPS-YNFQPMOCSA-N 0 3 414.590 3.327 40 0 HGABHN Cc1nc2ccccn2c1-c1nnc2sc(CCN(C)Cc3ccccc3)nn21 ZINC000227144056 568827987 /nfs/dbraw/zinc/82/79/87/568827987.db2.gz BKVYAYBBRGADJW-UHFFFAOYSA-N 0 3 403.515 3.483 40 0 HGABHN COCCN1CC[C@@]2(CN(Cc3ccccc3F)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306125425 568888169 /nfs/dbraw/zinc/88/81/69/568888169.db2.gz CQOCNVNBAKUORS-CVDCTZTESA-N 0 3 414.525 3.068 40 0 HGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccccc3)C[C@@]23OCCN(CC2CCC2)C3=O)c1 ZINC000306126032 568888614 /nfs/dbraw/zinc/88/86/14/568888614.db2.gz DKBHTDLNPCYXGE-WIOPSUGQSA-N 0 3 422.573 3.461 40 0 HGABHN Cn1cc(CNC[C@H]2CC[C@H]3CN(C(=O)c4ccccc4)c4ccccc4CN23)cn1 ZINC000306135231 568897184 /nfs/dbraw/zinc/89/71/84/568897184.db2.gz OLJKWZVTIQXYAM-PKTZIBPZSA-N 0 3 415.541 3.203 40 0 HGABHN Cc1cnc(N2CC[C@@H](NC(=O)C(C)C)[C@]3(CCN(Cc4cccs4)C3)C2)nc1 ZINC000306136050 568898028 /nfs/dbraw/zinc/89/80/28/568898028.db2.gz PHNIALQQRMGAAE-KNQAVFIVSA-N 0 3 413.591 3.090 40 0 HGABHN Cn1c(C(=O)NC[C@@H]2CC3(CCN(Cc4ccncc4)CC3)O2)cc2ccccc21 ZINC000306137497 568899350 /nfs/dbraw/zinc/89/93/50/568899350.db2.gz QXTYIOCBDKXXJR-FQEVSTJZSA-N 0 3 404.514 3.127 40 0 HGABHN CN(C)CCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccn2)n1 ZINC000329066572 568975459 /nfs/dbraw/zinc/97/54/59/568975459.db2.gz YBCVTUASANKMID-UHFFFAOYSA-N 0 3 403.317 3.406 40 0 HGABHN CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCN(Cc3ccc(F)cc3)C2)n1 ZINC000019694750 569346654 /nfs/dbraw/zinc/34/66/54/569346654.db2.gz AXTSFFDXFWFSEV-IBGZPJMESA-N 0 3 419.504 3.437 40 0 HGABHN CCn1cc(CN2CC[C@H](c3nc(N(C)C)ncc3-c3cccc(OC)c3)C2)cn1 ZINC000019694995 569346689 /nfs/dbraw/zinc/34/66/89/569346689.db2.gz ZWIWUZRRMGVFGO-IBGZPJMESA-N 0 3 406.534 3.424 40 0 HGABHN O=C(CN1CC[C@@H](c2cc(COc3ccccc3F)n[nH]2)C1)NC1CCCCC1 ZINC000019738947 569348617 /nfs/dbraw/zinc/34/86/17/569348617.db2.gz OXQHOHCYYJDVJM-MRXNPFEDSA-N 0 3 400.498 3.366 40 0 HGABHN Cc1cccc(OC[C@]2(CNCc3cccc(C(F)(F)F)c3)C[C@@H](O)[C@@H](O)C2)n1 ZINC000107283793 291242130 /nfs/dbraw/zinc/24/21/30/291242130.db2.gz RHTFUBJCCPINDJ-OPVJXMOQSA-N 0 3 410.436 3.079 40 0 biogenic,in-vitro HGABHN COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCCN(Cc3ncccc3C)C1)O2 ZINC000012135359 558333835 /nfs/dbraw/zinc/33/38/35/558333835.db2.gz MPNYCVGVKOFFCV-DVECYGJZSA-N 0 3 409.530 3.420 40 0 HGABHN CCC(=O)N1CCc2cc([C@H](O)CN3CCC(O)(c4ccccc4C)CC3)ccc21 ZINC000012181130 558342744 /nfs/dbraw/zinc/34/27/44/558342744.db2.gz LCJGAECNSALFPE-HSZRJFAPSA-N 0 3 408.542 3.311 40 0 HGABHN COC(=O)Cn1cc(CN2CCC(O)(c3ccccc3OC)CC2)c2ccccc21 ZINC000012292772 558365714 /nfs/dbraw/zinc/36/57/14/558365714.db2.gz COMGQHQPWZVNEE-UHFFFAOYSA-N 0 3 408.498 3.307 40 0 HGABHN CCC(=O)N1CCc2cc([C@@H](O)CN3CCC[C@](O)(c4ccccc4OC)C3)ccc21 ZINC000036740059 558801470 /nfs/dbraw/zinc/80/14/70/558801470.db2.gz BYBQVVZADSKVRJ-WIOPSUGQSA-N 0 3 424.541 3.011 40 0 HGABHN COCCOc1cc(CN2C[C@@H]3CC[C@](O)(c4ncccc4C)[C@H]3C2)ccc1OC ZINC000072389834 558808976 /nfs/dbraw/zinc/80/89/76/558808976.db2.gz DZLJSQKFHYZXBA-MZLICYQSSA-N 0 3 412.530 3.153 40 0 HGABHN Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCCN(Cc3cn(C)nc3C)C2)on1 ZINC000019122256 558843723 /nfs/dbraw/zinc/84/37/23/558843723.db2.gz HOPWLTUAXMUYAA-SFHVURJKSA-N 0 3 421.549 3.462 40 0 HGABHN Cc1ccc(C2(CN3CCC(NC(=O)c4[nH]ncc4Br)CC3)CC2)cc1 ZINC000019208389 558847545 /nfs/dbraw/zinc/84/75/45/558847545.db2.gz ZAQNPAKRHZBOFU-UHFFFAOYSA-N 0 3 417.351 3.407 40 0 HGABHN Cc1nc2cc(C)ccn2c1CN1C[C@@H](c2ccccn2)[C@]2(C1)CCCCC(=O)N2 ZINC000019238150 558857126 /nfs/dbraw/zinc/85/71/26/558857126.db2.gz RABXMAAHROWOHC-YADARESESA-N 0 3 403.530 3.375 40 0 HGABHN Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1CN(Cc1ccc(Oc3ncccn3)cc1)C2 ZINC000019291390 558863889 /nfs/dbraw/zinc/86/38/89/558863889.db2.gz BIBAFRWLWXEYPB-LIMIJEPZSA-N 0 3 405.502 3.122 40 0 HGABHN O=C(NC[C@@H]1CCCO1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372542 558879959 /nfs/dbraw/zinc/87/99/59/558879959.db2.gz PLUMZEBNFWECHX-BHDDXSALSA-N 0 3 410.489 3.052 40 0 HGABHN CC(C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccnc(N2CCCCC2)n1 ZINC000019449996 558888487 /nfs/dbraw/zinc/88/84/87/558888487.db2.gz JEAXFMWDJGHIGR-NHCUHLMSSA-N 0 3 407.562 3.207 40 0 HGABHN COc1ccc(CN2CCC(c3n[nH]cc3C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000019497329 558896193 /nfs/dbraw/zinc/89/61/93/558896193.db2.gz XNPVNHNHCLHSGT-IRXDYDNUSA-N 0 3 412.534 3.047 40 0 HGABHN COc1ccc(CN2CCC([C@H](NC(=O)C(F)F)c3ccccn3)CC2)cc1OC ZINC000019560853 558921669 /nfs/dbraw/zinc/92/16/69/558921669.db2.gz XOHMTOZPPJPEEA-FQEVSTJZSA-N 0 3 419.472 3.433 40 0 HGABHN COC(=O)[C@]1(Cc2ccc(OC)cc2)C(=O)C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1 ZINC000072340205 558939118 /nfs/dbraw/zinc/93/91/18/558939118.db2.gz XAAJGQSXNFAOIO-WPWBMXPQSA-N 0 3 423.509 3.412 40 0 HGABHN CN(C)CCNc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000072341933 558940084 /nfs/dbraw/zinc/94/00/84/558940084.db2.gz AARSWIXOXXBBSZ-UHFFFAOYSA-N 0 3 406.509 3.210 40 0 HGABHN NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000072345900 558942493 /nfs/dbraw/zinc/94/24/93/558942493.db2.gz CQLGSAYMSPGHGD-SFHVURJKSA-N 0 3 405.477 3.343 40 0 HGABHN COc1ccccc1CN1CCC(C(=O)Nc2nc(-c3cnn(C)c3)cs2)CC1 ZINC000019661218 558952348 /nfs/dbraw/zinc/95/23/48/558952348.db2.gz SKTLMFWAMMWMGY-UHFFFAOYSA-N 0 3 411.531 3.403 40 0 HGABHN Cc1nc(C2CCN(C(=O)[C@@H]3CCN3C3CCCCC3)CC2)nc2c1CCCN2C ZINC000019706684 558968983 /nfs/dbraw/zinc/96/89/83/558968983.db2.gz VLKZHFSOKSILDI-NRFANRHFSA-N 0 3 411.594 3.280 40 0 HGABHN CNc1nc([C@H]2CCCN(CCCc3ccccc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019707183 558969471 /nfs/dbraw/zinc/96/94/71/558969471.db2.gz ZBXKMAJMQRGHNX-FQEVSTJZSA-N 0 3 407.562 3.235 40 0 HGABHN CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccccc4F)C[C@H]32)c(OCC)n1 ZINC000072392641 558972385 /nfs/dbraw/zinc/97/23/85/558972385.db2.gz UKMMTCYXDJMTON-QXATTWAWSA-N 0 3 401.482 3.143 40 0 HGABHN CCN1CCC2(CC1)CN(C(=O)[C@H](N)Cc1ccccc1)Cc1cc(C)ccc1O2 ZINC000072394729 558973589 /nfs/dbraw/zinc/97/35/89/558973589.db2.gz OGDXNIRRJPAGPZ-JOCHJYFZSA-N 0 3 407.558 3.141 40 0 HGABHN CN(CCc1ccccn1)c1nc(C2CC[NH+](Cc3cccnc3)CC2)cc(=O)[n-]1 ZINC000019717547 558980388 /nfs/dbraw/zinc/98/03/88/558980388.db2.gz IOXFDCGXKQFPNM-UHFFFAOYSA-N 0 3 404.518 3.031 40 0 HGABHN CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccc(F)cc1)CC2 ZINC000096037019 559090794 /nfs/dbraw/zinc/09/07/94/559090794.db2.gz WZXOBMCSDHBDCO-UHFFFAOYSA-N 0 3 408.525 3.250 40 0 HGABHN CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21 ZINC000096242211 559103858 /nfs/dbraw/zinc/10/38/58/559103858.db2.gz UNTNMVDYWZVLHU-GOSISDBHSA-N 0 3 409.530 3.009 40 0 HGABHN O[C@@]1(CN2CCOC[C@](O)(COc3ccccc3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585288058 559123199 /nfs/dbraw/zinc/12/31/99/559123199.db2.gz VGERBERSWOBOID-CAOCKLPOSA-N 0 3 411.542 3.218 40 0 HGABHN COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccccc3)cc2c1 ZINC000000880677 560539691 /nfs/dbraw/zinc/53/96/91/560539691.db2.gz HTVYVCIGXBXPOF-UHFFFAOYSA-N 0 3 410.543 3.297 40 0 HGABHN CCCNC(=S)N(CCN1CCCC1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000004162129 560602154 /nfs/dbraw/zinc/60/21/54/560602154.db2.gz CANLPHYTQWTSRJ-UHFFFAOYSA-N 0 3 416.591 3.109 40 0 HGABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000012709716 560786297 /nfs/dbraw/zinc/78/62/97/560786297.db2.gz GQLQRZXRLGDXQY-UHFFFAOYSA-N 0 3 400.592 3.407 40 0 HGABHN CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(C2CCCC2)CC1 ZINC000019499688 560873428 /nfs/dbraw/zinc/87/34/28/560873428.db2.gz YRTKSNLGIYOOAR-NRFANRHFSA-N 0 3 412.582 3.476 40 0 HGABHN COc1ccc(-c2noc(CNC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)n2)cc1 ZINC000222599971 568519994 /nfs/dbraw/zinc/51/99/94/568519994.db2.gz SQFSTPULXBZMAZ-GOSISDBHSA-N 0 3 424.476 3.413 40 0 HGABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(Br)cs1 ZINC000223254081 568542729 /nfs/dbraw/zinc/54/27/29/568542729.db2.gz VCMLZQUYVZIYFS-HUUCEWRRSA-N 0 3 411.394 3.440 40 0 HGABHN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1C[C@@H]1CCCO1 ZINC000223299306 568544522 /nfs/dbraw/zinc/54/45/22/568544522.db2.gz VAWSLDHIIGMQII-DZFGPLHGSA-N 0 3 405.527 3.419 40 0 HGABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 ZINC000223521745 568550898 /nfs/dbraw/zinc/55/08/98/568550898.db2.gz ZBXLDAAZLFNNNX-MRXNPFEDSA-N 0 3 413.609 3.300 40 0 HGABHN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000225902078 568684749 /nfs/dbraw/zinc/68/47/49/568684749.db2.gz JOYKHAQFMSMNLT-IBGZPJMESA-N 0 3 415.559 3.096 40 0 HGABHN CN(C)c1ncc2c(n1)[C@@]1(CCN(Cc3cccc(-c4ccc(F)cc4)n3)C1)COC2 ZINC000248088111 568747477 /nfs/dbraw/zinc/74/74/77/568747477.db2.gz DWDGASWCAMRNEP-XMMPIXPASA-N 0 3 419.504 3.418 40 0 HGABHN COCCN1C(=O)Cc2c1nc([C@]1(C)CCCN(Cc3sccc3C)C1)nc2C ZINC000257211789 568779527 /nfs/dbraw/zinc/77/95/27/568779527.db2.gz CAKPGWUQPMZCMX-JOCHJYFZSA-N 0 3 414.575 3.244 40 0 HGABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000257214547 568780334 /nfs/dbraw/zinc/78/03/34/568780334.db2.gz CMJZQTOQNXSDDO-QHCPKHFHSA-N 0 3 410.493 3.191 40 0 HGABHN O=C1CCCC[C@]2(CN(Cc3ccnc(N4CCCC4)n3)C[C@H]2c2ccccc2)N1 ZINC000257221439 568782531 /nfs/dbraw/zinc/78/25/31/568782531.db2.gz DPABUYQQPVPHCJ-XUZZJYLKSA-N 0 3 405.546 3.105 40 0 HGABHN Cc1cc(OC[C@@H](O)CNC[C@H](O)COc2ccc(Cl)c(C)c2)ccc1Cl ZINC000002685832 568800961 /nfs/dbraw/zinc/80/09/61/568800961.db2.gz BTNURVOOMFXKRL-HOTGVXAUSA-N 0 3 414.329 3.379 40 0 HGABHN CSCC[C@@H](N)C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257300751 568804658 /nfs/dbraw/zinc/80/46/58/568804658.db2.gz RVOQANXPSPPFAD-FXTJJVCJSA-N 0 3 404.576 3.233 40 0 HGABHN CS(=O)(=O)N1CCC(N2CCC[C@H](c3ncc(Cc4ccccc4F)o3)C2)CC1 ZINC000257303254 568805465 /nfs/dbraw/zinc/80/54/65/568805465.db2.gz SGJZJLPYZCZOOF-KRWDZBQOSA-N 0 3 421.538 3.008 40 0 HGABHN COCCN1CC=CCC2(CCN(Cc3cc4ccccc4nc3N(C)C)CC2)C1=O ZINC000257344317 568817440 /nfs/dbraw/zinc/81/74/40/568817440.db2.gz ZWPWRPXHGRIZBI-UHFFFAOYSA-N 0 3 422.573 3.318 40 0 HGABHN CCOC[C@@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218217572 568836399 /nfs/dbraw/zinc/83/63/99/568836399.db2.gz OTWBSRSMBMOJHH-FHWLQOOXSA-N 0 3 424.360 3.370 40 0 HGABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218639163 568885768 /nfs/dbraw/zinc/88/57/68/568885768.db2.gz DJLLEEVARYHFGM-DYXWJJEUSA-N 0 3 421.946 3.350 40 0 HGABHN CC(C)n1cnc([C@H]2CN(Cc3ccco3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306125590 568888426 /nfs/dbraw/zinc/88/84/26/568888426.db2.gz CVBLCHSCFSZWEY-ZJSXRUAMSA-N 0 3 419.529 3.470 40 0 HGABHN c1cc(CN2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cc2c1OCO2 ZINC000306127947 568890688 /nfs/dbraw/zinc/89/06/88/568890688.db2.gz GLKKWTBSKHUKNH-SFHVURJKSA-N 0 3 405.502 3.438 40 0 HGABHN O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306132052 568894492 /nfs/dbraw/zinc/89/44/92/568894492.db2.gz KWOZQSAPOSINPM-RBUKOAKNSA-N 0 3 421.932 3.166 40 0 HGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccco3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306133217 568895374 /nfs/dbraw/zinc/89/53/74/568895374.db2.gz MFKDTSHKJNOXDP-XUZZJYLKSA-N 0 3 419.529 3.470 40 0 HGABHN Cn1cc(CNC[C@H]2CC[C@@H]3CN(C(=O)c4ccccc4)c4ccccc4CN23)cn1 ZINC000306135229 568897315 /nfs/dbraw/zinc/89/73/15/568897315.db2.gz OLJKWZVTIQXYAM-DHIUTWEWSA-N 0 3 415.541 3.203 40 0 HGABHN CN(Cc1ccccc1)C(=O)[C@@H]1CN(C)CC2(CCN(Cc3cccs3)CC2)O1 ZINC000306138312 568900179 /nfs/dbraw/zinc/90/01/79/568900179.db2.gz RUSUXJBPGQUOLS-NRFANRHFSA-N 0 3 413.587 3.072 40 0 HGABHN Cc1c(Nc2cc(-c3ccccn3)nc(NCCN(C)C)n2)cccc1C(F)(F)F ZINC000328989054 568971522 /nfs/dbraw/zinc/97/15/22/568971522.db2.gz IIJRCNLBHVCTHE-UHFFFAOYSA-N 0 3 416.451 3.427 40 0 HGABHN Cc1c(Nc2cc(-c3cccnc3)nc(NCCN(C)C)n2)cccc1C(F)(F)F ZINC000329072550 568976034 /nfs/dbraw/zinc/97/60/34/568976034.db2.gz ZZMPNBWYCAITRB-UHFFFAOYSA-N 0 3 416.451 3.427 40 0 HGABHN CCOC(=O)C1(c2ccccc2)CCN(C[C@H](O)c2ccc(NC(C)=O)cc2)CC1 ZINC000004429976 569255383 /nfs/dbraw/zinc/25/53/83/569255383.db2.gz BGWZZQHBKDDJJE-QFIPXVFZSA-N 0 3 410.514 3.275 40 0 HGABHN CCOC(=O)C1(c2ccccc2)CCN(C[C@@H](O)c2ccc(NC(C)=O)cc2)CC1 ZINC000004429977 569255422 /nfs/dbraw/zinc/25/54/22/569255422.db2.gz BGWZZQHBKDDJJE-JOCHJYFZSA-N 0 3 410.514 3.275 40 0 HGABHN CCN1CCN(c2ccc(NC(=O)c3cccc(Br)c3)cc2N)CC1 ZINC000226263401 569278900 /nfs/dbraw/zinc/27/89/00/569278900.db2.gz ATAUCOKUPOKPIK-UHFFFAOYSA-N 0 3 403.324 3.426 40 0 HGABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1 ZINC000019760824 569348927 /nfs/dbraw/zinc/34/89/27/569348927.db2.gz BYBOFPGKKYAUDY-FQEVSTJZSA-N 0 3 406.534 3.040 40 0 HGABHN COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4COC(=O)NC(C)C)n(C)n2)cc1 ZINC000008635298 571097203 /nfs/dbraw/zinc/09/72/03/571097203.db2.gz DRIUXMMNTGRODY-NSHGMRRFSA-N 0 3 412.534 3.408 40 0 biogenic,in-vitro HGABHN CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCCN4C4CCCCC4)n3)ccn2)CC1 ZINC000049154939 291232062 /nfs/dbraw/zinc/23/20/62/291232062.db2.gz BUUNZKOVNQIBJA-FQEVSTJZSA-N 0 3 424.549 3.270 40 0 biogenic,in-vitro HGABHN COc1ccccc1N1CCN(CC(=O)Nc2ccc(CN3CCCCC3)cc2)CC1 ZINC000004093418 132271033 /nfs/dbraw/zinc/27/10/33/132271033.db2.gz YKNOGUMFLSMCFE-UHFFFAOYSA-N 0 3 422.573 3.442 40 0 HGABHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857106 525267659 /nfs/dbraw/zinc/26/76/59/525267659.db2.gz BXLUAGFQRDOCEO-VQIMIIECSA-N 0 3 418.534 3.319 40 0 HGABHN Cc1ccc(N(C[C@H](O)CN2CCC(C)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000000787213 557080734 /nfs/dbraw/zinc/08/07/34/557080734.db2.gz VMXFBFCOTLUTJQ-OAQYLSRUSA-N 0 3 402.560 3.283 40 0 HGABHN NC(=[NH2+])NCCC[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000004794480 557598345 /nfs/dbraw/zinc/59/83/45/557598345.db2.gz XOPFDFWTKCSBGX-JOCHJYFZSA-N 0 3 416.525 3.285 40 0 HGABHN Cc1ccc(S(=O)(=O)N(CCCc2c(C)nc(N)nc2N)c2ccccc2)cc1 ZINC000006009370 557684226 /nfs/dbraw/zinc/68/42/26/557684226.db2.gz XYRUYFPPRLOTIN-UHFFFAOYSA-N 0 3 411.531 3.086 40 0 HGABHN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(CC)CC3)cc2)cc1 ZINC000006517671 557706236 /nfs/dbraw/zinc/70/62/36/557706236.db2.gz LXPGXFWRGKOSJW-UHFFFAOYSA-N 0 3 412.559 3.354 40 0 HGABHN Cc1ccc2c(cc(C(=O)N3CCC([C@@H]4CCCCN4CC(=O)N(C)C)CC3)n2C)c1 ZINC000019746370 558266513 /nfs/dbraw/zinc/26/65/13/558266513.db2.gz NBUZXVZQBOOZRM-QFIPXVFZSA-N 0 3 424.589 3.282 40 0 HGABHN O=C(CC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1)N1CCN2CCC[C@H]2C1 ZINC000019748184 558267491 /nfs/dbraw/zinc/26/74/91/558267491.db2.gz LIRXCXQHFVVVIR-QHCPKHFHSA-N 0 3 423.601 3.434 40 0 HGABHN Cc1ncc(CN2CC[C@@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)s1 ZINC000019761116 558276475 /nfs/dbraw/zinc/27/64/75/558276475.db2.gz IOTUUPVVYCOUEF-QGZVFWFLSA-N 0 3 422.554 3.462 40 0 HGABHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccccc1OC ZINC000019819158 558289291 /nfs/dbraw/zinc/28/92/91/558289291.db2.gz SWSZYGVCDIFTHE-INIZCTEOSA-N 0 3 412.417 3.273 40 0 HGABHN CC(=O)N1c2ccc([C@@H](O)CN3CCC(O)(c4ccccc4C)CC3)cc2C[C@H]1C ZINC000012146837 558338112 /nfs/dbraw/zinc/33/81/12/558338112.db2.gz KLVMYAZBIBJBJQ-KOSHJBKYSA-N 0 3 408.542 3.310 40 0 HGABHN CCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(OC)ccc2O3)cc1 ZINC000012293671 558367020 /nfs/dbraw/zinc/36/70/20/558367020.db2.gz GFTZFYRDDBMVNZ-FCHUYYIVSA-N 0 3 413.514 3.478 40 0 HGABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(SC)cc1 ZINC000020636831 558396099 /nfs/dbraw/zinc/39/60/99/558396099.db2.gz XFHNJKGNKCLCNB-WOJBJXKFSA-N 0 3 423.538 3.173 40 0 HGABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1cccc(Cl)c1 ZINC000020637005 558396517 /nfs/dbraw/zinc/39/65/17/558396517.db2.gz XSFXNOYACYLDOM-RBUKOAKNSA-N 0 3 411.889 3.105 40 0 HGABHN CCOC(=O)C1=C([O-])NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000020637005 558396519 /nfs/dbraw/zinc/39/65/19/558396519.db2.gz XSFXNOYACYLDOM-RBUKOAKNSA-N 0 3 411.889 3.105 40 0 HGABHN C[C@@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000013670840 558562146 /nfs/dbraw/zinc/56/21/46/558562146.db2.gz NXAMPIZTOZBHMO-GASCZTMLSA-N 0 3 403.386 3.237 40 0 HGABHN COC(=O)c1cc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc(C(=O)OC)c1 ZINC000039754566 558687566 /nfs/dbraw/zinc/68/75/66/558687566.db2.gz CJIYFNRULWWWDE-UHFFFAOYSA-N 0 3 410.470 3.111 40 0 HGABHN CC(=O)Nc1ccc(C[NH+]2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)cc1 ZINC000019022448 558838064 /nfs/dbraw/zinc/83/80/64/558838064.db2.gz BNBMBUPYYJTNJN-UHFFFAOYSA-N 0 3 409.515 3.231 40 0 HGABHN O=c1cc([C@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)nc(N2CCOCC2)[n-]1 ZINC000019293308 558864897 /nfs/dbraw/zinc/86/48/97/558864897.db2.gz VZJWIMBQOFLRRV-INIZCTEOSA-N 0 3 422.451 3.005 40 0 HGABHN O=c1cc([C@H]2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)nc(N2CCOCC2)[n-]1 ZINC000019293308 558864899 /nfs/dbraw/zinc/86/48/99/558864899.db2.gz VZJWIMBQOFLRRV-INIZCTEOSA-N 0 3 422.451 3.005 40 0 HGABHN O=C1CCCC[C@]2(CN(Cc3ccccc3-n3cccn3)C[C@H]2c2ccccn2)N1 ZINC000019349457 558875156 /nfs/dbraw/zinc/87/51/56/558875156.db2.gz VFJDERJAFHWVGK-GBXCKJPGSA-N 0 3 401.514 3.296 40 0 HGABHN CCOC(=O)C1C(CN2C[C@@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000055220601 558876494 /nfs/dbraw/zinc/87/64/94/558876494.db2.gz GNKWWMYSQVHRQX-CKFHNAJUSA-N 0 3 405.926 3.489 40 0 HGABHN O=C1CCCN1c1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000019374908 558881462 /nfs/dbraw/zinc/88/14/62/558881462.db2.gz USBVQOHNEULINU-YADHBBJMSA-N 0 3 422.525 3.198 40 0 HGABHN COc1ccccc1CN1CCC(c2n[nH]cc2C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000019497348 558896493 /nfs/dbraw/zinc/89/64/93/558896493.db2.gz DBYOCWTVEMLRTR-IAGOWNOFSA-N 0 3 412.534 3.047 40 0 HGABHN CCCC(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4ccc(CC)cc4)C3)[n-]c(=O)c2C1 ZINC000019501586 558899641 /nfs/dbraw/zinc/89/96/41/558899641.db2.gz IIYNSSCRFDIYBE-HXUWFJFHSA-N 0 3 422.573 3.397 40 0 HGABHN CCCC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4ccc(CC)cc4)C3)[n-]c(=O)c2C1 ZINC000019501586 558899642 /nfs/dbraw/zinc/89/96/42/558899642.db2.gz IIYNSSCRFDIYBE-HXUWFJFHSA-N 0 3 422.573 3.397 40 0 HGABHN CCc1ncc(CN2CCC[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)cn1 ZINC000019523368 558904683 /nfs/dbraw/zinc/90/46/83/558904683.db2.gz RPHQQOASVSFMKS-RUZDIDTESA-N 0 3 415.541 3.411 40 0 HGABHN CCN1CCN(CC2=CCCOC2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527440 558908574 /nfs/dbraw/zinc/90/85/74/558908574.db2.gz ABEDEFHDBNTABR-XMMPIXPASA-N 0 3 405.542 3.418 40 0 HGABHN CCOC(=O)c1[nH]c(C)c(CN2CCC(c3cc(N)n4nc(C)cc4n3)CC2)c1C ZINC000019530671 558911480 /nfs/dbraw/zinc/91/14/80/558911480.db2.gz FITFNWGITNKLEK-UHFFFAOYSA-N 0 3 410.522 3.121 40 0 HGABHN COc1cc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc(OC)c1OC ZINC000019549924 558914591 /nfs/dbraw/zinc/91/45/91/558914591.db2.gz CFMFJCONSDPKMC-UZLBHIALSA-N 0 3 406.429 3.100 40 0 HGABHN COc1ccc(-c2ncc(CN3C[C@@H]4CC[C@@](O)(c5ccccn5)[C@@H]4C3)cn2)cc1 ZINC000019558593 558920379 /nfs/dbraw/zinc/92/03/79/558920379.db2.gz JCZAJFYRKHXDKR-LEEZEASISA-N 0 3 402.498 3.277 40 0 HGABHN Oc1ccc(-c2n[nH]cc2CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cc1 ZINC000072327158 558933804 /nfs/dbraw/zinc/93/38/04/558933804.db2.gz KOZBQRYVCSQUFM-UHFFFAOYSA-N 0 3 414.513 3.262 40 0 HGABHN O=c1c(CN2CCC(Oc3ccc(F)cc3)CC2)c(N2CCCC2)nc2ccccn21 ZINC000019659047 558950719 /nfs/dbraw/zinc/95/07/19/558950719.db2.gz LVSCYXGMKQVYGZ-UHFFFAOYSA-N 0 3 422.504 3.477 40 0 HGABHN CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)C3CCN(C)CC3)C2)c1 ZINC000072359211 558954993 /nfs/dbraw/zinc/95/49/93/558954993.db2.gz FWVRJNWWLNYOLN-HXUWFJFHSA-N 0 3 421.545 3.150 40 0 HGABHN CNc1cc([C@H]2CCCN(Cc3cccc(C)c3OC)C2)nc(CN(C)C(C)=O)n1 ZINC000072370151 558956324 /nfs/dbraw/zinc/95/63/24/558956324.db2.gz DJFPTVFICHQILE-SFHVURJKSA-N 0 3 411.550 3.193 40 0 HGABHN O=C(CN1CCC[C@H]1c1ccc2c(n[nH]c2NCc2ccccc2)n1)N1CCCC1 ZINC000072374495 558962272 /nfs/dbraw/zinc/96/22/72/558962272.db2.gz NGLOGTKKMYASEQ-FQEVSTJZSA-N 0 3 404.518 3.329 40 0 HGABHN CC(C)CC(=O)N1CCO[C@@H](c2c3ccccc3sc2C(=O)NCCN(C)C)C1 ZINC000019697915 558965484 /nfs/dbraw/zinc/96/54/84/558965484.db2.gz FIEIGYOKHLAIRM-QGZVFWFLSA-N 0 3 417.575 3.139 40 0 HGABHN C[C@@H]1C[C@H]1C(=O)N1CCC(c2nc3c(c(=O)[n-]2)C[N@H+](CC2CCCCC2)CC3)CC1 ZINC000072398736 558976279 /nfs/dbraw/zinc/97/62/79/558976279.db2.gz DJNQQKJQDPXHIO-VQIMIIECSA-N 0 3 412.578 3.070 40 0 HGABHN C[C@@H]1C[C@H]1C(=O)N1CCC(c2nc3c(c(=O)[n-]2)C[N@@H+](CC2CCCCC2)CC3)CC1 ZINC000072398736 558976281 /nfs/dbraw/zinc/97/62/81/558976281.db2.gz DJNQQKJQDPXHIO-VQIMIIECSA-N 0 3 412.578 3.070 40 0 HGABHN Cc1c(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)sc2[nH]cnc(=O)c12 ZINC000019717833 558980942 /nfs/dbraw/zinc/98/09/42/558980942.db2.gz QEYKNLXJWHLDSU-UHFFFAOYSA-N 0 3 412.515 3.410 40 0 HGABHN COCC[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)c1cc(C)ccc1[O-])CC2)C(C)C ZINC000585103756 559025821 /nfs/dbraw/zinc/02/58/21/559025821.db2.gz IXODWEODOPNORX-IBGZPJMESA-N 0 3 404.551 3.069 40 0 HGABHN COCC[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)c1cc(C)ccc1[O-])CC2)C(C)C ZINC000585103756 559025823 /nfs/dbraw/zinc/02/58/23/559025823.db2.gz IXODWEODOPNORX-IBGZPJMESA-N 0 3 404.551 3.069 40 0 HGABHN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(C5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019369858 559030995 /nfs/dbraw/zinc/03/09/95/559030995.db2.gz FXYPTAKKGKQTFF-GJLHXFCQSA-N 0 3 416.606 3.222 40 0 HGABHN CCCN1CCN(CCC(N)=O)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585172750 559068821 /nfs/dbraw/zinc/06/88/21/559068821.db2.gz DZBPCVWVGVFZCL-JOCHJYFZSA-N 0 3 407.558 3.250 40 0 HGABHN COc1ccc([C@@H]2CN(CC3(O)CCN(c4cccc(F)c4)CC3)CCN2C)cc1 ZINC000585183495 559070292 /nfs/dbraw/zinc/07/02/92/559070292.db2.gz GXNUALNKFVYZAO-QHCPKHFHSA-N 0 3 413.537 3.154 40 0 HGABHN O=C(C[C@@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052817 559092541 /nfs/dbraw/zinc/09/25/41/559092541.db2.gz AVVVUDJGWCYVSE-OAQYLSRUSA-N 0 3 405.542 3.352 40 0 HGABHN CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(Cc1ccc(OC)cc1)CCC2 ZINC000096056046 559093733 /nfs/dbraw/zinc/09/37/33/559093733.db2.gz UKYCXAGOBVGMTD-RDPSFJRHSA-N 0 3 409.530 3.372 40 0 HGABHN COc1ccc(CN(C)c2ccc3ccc(C(=O)N4CC[C@@H](N(C)C)C4)cn32)cc1 ZINC000096146170 559097758 /nfs/dbraw/zinc/09/77/58/559097758.db2.gz PCTPUQRVULCSEL-OAQYLSRUSA-N 0 3 406.530 3.360 40 0 HGABHN CN(C(=O)c1ccc(OCCN2CCCC2)cc1)[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585261654 559108941 /nfs/dbraw/zinc/10/89/41/559108941.db2.gz CUUQZAHYWPOZNQ-WXFUMESZSA-N 0 3 424.541 3.204 40 0 HGABHN Cc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@H](N)CC(C)C)CC3)n2)s1 ZINC000585263357 559111990 /nfs/dbraw/zinc/11/19/90/559111990.db2.gz DQUQJONEJMGLLD-MRXNPFEDSA-N 0 3 402.568 3.373 40 0 HGABHN CC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585284176 559120555 /nfs/dbraw/zinc/12/05/55/559120555.db2.gz VNGMOGLZANFNRA-HSZRJFAPSA-N 0 3 406.542 3.377 40 0 HGABHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000101130166 559177351 /nfs/dbraw/zinc/17/73/51/559177351.db2.gz AIRJRZRRFRLGKT-AQNXPRMDSA-N 0 3 418.405 3.117 40 0 HGABHN CN(Cc1ccc(OCc2nccn2C)cc1)C[C@H](O)Cn1ccc2ccccc21 ZINC000257233508 559283969 /nfs/dbraw/zinc/28/39/69/559283969.db2.gz GPOZASHGLJDGQA-NRFANRHFSA-N 0 3 404.514 3.447 40 0 HGABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1 ZINC000004133449 560600532 /nfs/dbraw/zinc/60/05/32/560600532.db2.gz GVZATSGQVJPAJR-UHFFFAOYSA-N 0 3 422.598 3.317 40 0 HGABHN CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)Nc1ccccc1 ZINC000006135739 560739642 /nfs/dbraw/zinc/73/96/42/560739642.db2.gz BIVLJPBCLNYIKB-UHFFFAOYSA-N 0 3 424.526 3.017 40 0 HGABHN Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC[NH+](C)C)cc2Cl)cc1 ZINC000216437736 568465277 /nfs/dbraw/zinc/46/52/77/568465277.db2.gz LXTDIWKQQHVJGE-UHFFFAOYSA-N 0 3 409.939 3.131 40 0 HGABHN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)nc1 ZINC000223257374 568542875 /nfs/dbraw/zinc/54/28/75/568542875.db2.gz VSOVMBPFTUPYMW-SFTDATJTSA-N 0 3 406.559 3.110 40 0 HGABHN COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223259552 568543044 /nfs/dbraw/zinc/54/30/44/568543044.db2.gz OWLCDXYZENVUOK-FCHUYYIVSA-N 0 3 421.570 3.415 40 0 HGABHN COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1 ZINC000223279357 568543888 /nfs/dbraw/zinc/54/38/88/568543888.db2.gz JDWPKDMXEUHNTN-FCHUYYIVSA-N 0 3 421.570 3.415 40 0 HGABHN CC(C)(C)c1ccc(CN2CCCC[C@]3(C)NC(=O)CCC[C@H]23)c(OCC(N)=O)c1 ZINC000257208489 568778494 /nfs/dbraw/zinc/77/84/94/568778494.db2.gz BMJSPTQOZCFZDQ-RDPSFJRHSA-N 0 3 415.578 3.262 40 0 HGABHN Cc1cc(Nc2ncccn2)cc(C2CCN(CC(=O)N3CCC(C)CC3)CC2)n1 ZINC000257243703 568788456 /nfs/dbraw/zinc/78/84/56/568788456.db2.gz IIEQCBPQPRBYLM-UHFFFAOYSA-N 0 3 408.550 3.362 40 0 HGABHN O=C(N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O)c1cccc(OCCN2CCCC2)c1 ZINC000257247275 568789418 /nfs/dbraw/zinc/78/94/18/568789418.db2.gz IYGHDCAUJYLGHD-WXFUMESZSA-N 0 3 424.541 3.252 40 0 HGABHN O=C(NCCn1nc([C@H]2CCCN(Cc3ccccc3F)C2)c2cccnc21)C1CC1 ZINC000257296282 568803329 /nfs/dbraw/zinc/80/33/29/568803329.db2.gz RCBGQMXKHKOPFI-IBGZPJMESA-N 0 3 421.520 3.476 40 0 HGABHN CCOC[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218217481 568836361 /nfs/dbraw/zinc/83/63/61/568836361.db2.gz OTWBSRSMBMOJHH-CEXWTWQISA-N 0 3 424.360 3.370 40 0 HGABHN COc1ccc(C(C)C)cc1CN1CCO[C@@]2(CCCC[C@@H]2NCC(=O)N(C)C)C1 ZINC000306127000 568889711 /nfs/dbraw/zinc/88/97/11/568889711.db2.gz FLGPNJHDHGKYNY-UPVQGACJSA-N 0 3 417.594 3.010 40 0 HGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccoc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306139498 568901357 /nfs/dbraw/zinc/90/13/57/568901357.db2.gz SYUOOOSTIYWNKI-URXFXBBRSA-N 0 3 419.529 3.470 40 0 HGABHN CCOC[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218121692 568926056 /nfs/dbraw/zinc/92/60/56/568926056.db2.gz ZJNJMNNUEPNQEG-HSALFYBXSA-N 0 3 409.935 3.270 40 0 HGABHN CN(C)CCNc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2ccncc2)n1 ZINC000328971697 568970693 /nfs/dbraw/zinc/97/06/93/568970693.db2.gz DSTFKFRNARLONH-UHFFFAOYSA-N 0 3 403.317 3.406 40 0 HGABHN CN(C)CCNc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000328979588 568971103 /nfs/dbraw/zinc/97/11/03/568971103.db2.gz GGVGYNPCJOQOHW-UHFFFAOYSA-N 0 3 402.424 3.118 40 0 HGABHN CN(C)CCNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(C2CC2)n1 ZINC000329036417 568973842 /nfs/dbraw/zinc/97/38/42/568973842.db2.gz RIQIQXPOKXNKLX-UHFFFAOYSA-N 0 3 415.847 3.467 40 0 HGABHN CN(C)CCNc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2ccccn2)n1 ZINC000329055586 568974905 /nfs/dbraw/zinc/97/49/05/568974905.db2.gz VPIZXKXYIJVMIQ-UHFFFAOYSA-N 0 3 403.317 3.406 40 0 HGABHN Cc1ccc(Nc2cc(-c3ccncc3)nc(NCCN(C)C)n2)cc1C(F)(F)F ZINC000329069022 568975661 /nfs/dbraw/zinc/97/56/61/568975661.db2.gz YUEDHLQKGXWSMC-UHFFFAOYSA-N 0 3 416.451 3.427 40 0 HGABHN O[C@H](CN1CCC[C@@](O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000019332958 569345456 /nfs/dbraw/zinc/34/54/56/569345456.db2.gz FXGUBIVSHDAYFI-OFNKIYASSA-N 0 3 401.478 3.394 40 0 HGABHN O=C(CN1CC[C@@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1)NC1CCCCC1 ZINC000019738945 569348608 /nfs/dbraw/zinc/34/86/08/569348608.db2.gz GVVKIYPGIWDSOI-MRXNPFEDSA-N 0 3 400.498 3.366 40 0 HGABHN CC(=O)N1CCCc2cc([C@H](O)CN3CCC(O)(c4cccc(C)c4)CC3)ccc21 ZINC000012326561 132358778 /nfs/dbraw/zinc/35/87/78/132358778.db2.gz UVRLYJQWDCYCBN-XMMPIXPASA-N 0 3 408.542 3.311 40 0 HGABHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857105 525137372 /nfs/dbraw/zinc/13/73/72/525137372.db2.gz BXLUAGFQRDOCEO-QFBILLFUSA-N 0 3 418.534 3.319 40 0 HGABHN COc1ccccc1OCCNC[C@@H](O)COc1c2c(ccc1O)[nH]c1ccccc12 ZINC000006019308 557684299 /nfs/dbraw/zinc/68/42/99/557684299.db2.gz RWDSIYCVHJZURY-MRXNPFEDSA-N 0 3 422.481 3.444 40 0 in-vitro HGABHN COc1ccc(-c2ccnc3cc(C(=O)NC(C)(C)CN4CCCCC4)nn32)cc1 ZINC000035316663 557691442 /nfs/dbraw/zinc/69/14/42/557691442.db2.gz OQHSLQRJRLYRPT-UHFFFAOYSA-N 0 3 407.518 3.399 40 0 HGABHN CC(C)NC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(C(C)(C)C)cc2)nn1 ZINC000008299232 557780544 /nfs/dbraw/zinc/78/05/44/557780544.db2.gz RMWYZZGCGCVRKL-NRSPTQNISA-N 0 3 409.578 3.478 40 0 biogenic,in-vitro HGABHN Cc1nc([C@@H]2CCCN(C(=O)C3CCN(C)CC3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765849 558278107 /nfs/dbraw/zinc/27/81/07/558278107.db2.gz FKZQXFWOFDYPDD-LJQANCHMSA-N 0 3 421.545 3.085 40 0 HGABHN CC(C)NC(=O)Cn1cc(CN2CCC[C@@H](CN3CCCC3=O)C2)c2ccccc21 ZINC000012220231 558355282 /nfs/dbraw/zinc/35/52/82/558355282.db2.gz CRTANKIWCGUTCS-LJQANCHMSA-N 0 3 410.562 3.000 40 0 HGABHN Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(Cc3cccnc3)CC2)on1 ZINC000012232390 558358313 /nfs/dbraw/zinc/35/83/13/558358313.db2.gz DNXMRVLCFKOXGB-UHFFFAOYSA-N 0 3 420.517 3.051 40 0 HGABHN CC(C)n1c2ccc(S(=O)(=O)NC3(CN4CCCC4)CCCCC3)cc2oc1=O ZINC000012239268 558359850 /nfs/dbraw/zinc/35/98/50/558359850.db2.gz OTLHWXOQYZNEFL-UHFFFAOYSA-N 0 3 421.563 3.252 40 0 HGABHN CC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293416 558366484 /nfs/dbraw/zinc/36/64/84/558366484.db2.gz BLNYQDPZICOFAH-FCHUYYIVSA-N 0 3 410.514 3.338 40 0 HGABHN CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000020460735 558372932 /nfs/dbraw/zinc/37/29/32/558372932.db2.gz NDUVQOXDRNPWJT-HNNXBMFYSA-N 0 3 401.960 3.096 40 0 HGABHN CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000020460735 558372934 /nfs/dbraw/zinc/37/29/34/558372934.db2.gz NDUVQOXDRNPWJT-HNNXBMFYSA-N 0 3 401.960 3.096 40 0 HGABHN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000012329347 558384043 /nfs/dbraw/zinc/38/40/43/558384043.db2.gz ZUOGIJIWJSTVCM-PMACEKPBSA-N 0 3 411.498 3.150 40 0 HGABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(SC)cc1 ZINC000020636837 558396223 /nfs/dbraw/zinc/39/62/23/558396223.db2.gz XFHNJKGNKCLCNB-UXHICEINSA-N 0 3 423.538 3.173 40 0 HGABHN CCOc1cc(CNC[C@H](O)c2ccccc2)ccc1OCC(=O)NC(C)(C)C ZINC000022075874 558462773 /nfs/dbraw/zinc/46/27/73/558462773.db2.gz YRCQFIOBBCHSLW-IBGZPJMESA-N 0 3 400.519 3.202 40 0 HGABHN C[C@@H](C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)N1CCCC1 ZINC000019080262 558839082 /nfs/dbraw/zinc/83/90/82/558839082.db2.gz FMQQTYHXIOTQTN-KRWDZBQOSA-N 0 3 407.493 3.352 40 0 HGABHN O=c1cc(C2CC[NH+](Cc3c[nH]cc4c(Cl)nnc3-4)CC2)nc(-c2cccnc2)[n-]1 ZINC000019340899 558871639 /nfs/dbraw/zinc/87/16/39/558871639.db2.gz MDYHTQSKKUYEGA-UHFFFAOYSA-N 0 3 421.892 3.136 40 0 HGABHN O[C@@H]1C[C@H]2CN(Cc3ccc(Br)s3)[C@H](Cc3ccccc3)CN2C1 ZINC000019372767 558880019 /nfs/dbraw/zinc/88/00/19/558880019.db2.gz JVHXGXPPTNWALC-IXDOHACOSA-N 0 3 407.377 3.373 40 0 HGABHN C[C@H](CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2)N1CCC(C)CC1 ZINC000019496791 558895607 /nfs/dbraw/zinc/89/56/07/558895607.db2.gz GXFQDXKEFDSJDL-UKPHBRMFSA-N 0 3 413.488 3.431 40 0 HGABHN C[C@@H](CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2)N1CCC(C)CC1 ZINC000019496790 558895612 /nfs/dbraw/zinc/89/56/12/558895612.db2.gz GXFQDXKEFDSJDL-JLJPHGGASA-N 0 3 413.488 3.431 40 0 HGABHN CC[C@H](C)C(=O)N1CCc2cc([C@@H](O)CN3CCCN(c4ccccn4)CC3)ccc21 ZINC000019499895 558898033 /nfs/dbraw/zinc/89/80/33/558898033.db2.gz ZJHLLYIYFSJPRX-CVDCTZTESA-N 0 3 422.573 3.263 40 0 HGABHN COc1cc(CN2CCC([C@@H]3CNC(=O)c4ccccc43)CC2)cc(OC)c1OC ZINC000019549690 558914402 /nfs/dbraw/zinc/91/44/02/558914402.db2.gz JJHXRAYUPDDPPC-FQEVSTJZSA-N 0 3 410.514 3.452 40 0 HGABHN COc1ccccc1[C@H](CNCc1cc(-c2ccccc2)cn2nnnc12)N(C)C ZINC000019581509 558936939 /nfs/dbraw/zinc/93/69/39/558936939.db2.gz SXAIIJMYPLEQOL-NRFANRHFSA-N 0 3 402.502 3.192 40 0 HGABHN CN1CCC(N(CCc2ccccc2)C(=O)c2ccc(Cn3cncn3)cc2)CC1 ZINC000019588129 558940113 /nfs/dbraw/zinc/94/01/13/558940113.db2.gz QJQUGCKKZHBAPJ-UHFFFAOYSA-N 0 3 403.530 3.106 40 0 HGABHN CN1CCC(C(=O)N2CCC[C@@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)CC1 ZINC000072346257 558943073 /nfs/dbraw/zinc/94/30/73/558943073.db2.gz QGIRHCUPKPDXSA-QGZVFWFLSA-N 0 3 413.953 3.427 40 0 HGABHN COCc1ccc(OC)c(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)c1 ZINC000072352944 558949359 /nfs/dbraw/zinc/94/93/59/558949359.db2.gz RSPVRODVYWDRDD-LJQANCHMSA-N 0 3 420.513 3.367 40 0 HGABHN COCc1ccc(OC)c(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)c1 ZINC000072352944 558949363 /nfs/dbraw/zinc/94/93/63/558949363.db2.gz RSPVRODVYWDRDD-LJQANCHMSA-N 0 3 420.513 3.367 40 0 HGABHN O=C(NC[C@@H]1CCCOC1)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000072373037 558960878 /nfs/dbraw/zinc/96/08/78/558960878.db2.gz MIWZJOWBCINJRO-PMVMPFDFSA-N 0 3 406.526 3.160 40 0 HGABHN CNc1nc([C@@H]2CCCN(CCCc3ccccc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019707181 558969442 /nfs/dbraw/zinc/96/94/42/558969442.db2.gz ZBXKMAJMQRGHNX-HXUWFJFHSA-N 0 3 407.562 3.235 40 0 HGABHN CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccccc4OC)C[C@H]32)c(OCC)n1 ZINC000072392642 558972441 /nfs/dbraw/zinc/97/24/41/558972441.db2.gz LDLCERNOZUKVCH-XKDCRVNJSA-N 0 3 413.518 3.012 40 0 HGABHN CCS(=O)(=O)NC1CC2(C1)CCN(Cc1ccc(OCC(F)F)cc1)CC2 ZINC000585103192 559026563 /nfs/dbraw/zinc/02/65/63/559026563.db2.gz MPEDCMPNPLNTLD-UHFFFAOYSA-N 0 3 402.507 3.014 40 0 HGABHN CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccc(C)s1)CC2 ZINC000096036938 559090814 /nfs/dbraw/zinc/09/08/14/559090814.db2.gz PJTQMGYTAUUZAI-UHFFFAOYSA-N 0 3 424.574 3.007 40 0 HGABHN CN(C)[C@H]1CCN(C(=O)c2cnc(-c3noc4cc(N5CCCC5)ccc43)s2)C1 ZINC000096154562 559098969 /nfs/dbraw/zinc/09/89/69/559098969.db2.gz LLPKYXBEAOCCON-HNNXBMFYSA-N 0 3 411.531 3.328 40 0 HGABHN O=S(=O)(c1ccccc1)N1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000096245397 559105037 /nfs/dbraw/zinc/10/50/37/559105037.db2.gz AMROHVSSEUFAAR-IAGOWNOFSA-N 0 3 410.461 3.458 40 0 HGABHN CC(C)(C)[C@H]1CC[C@](O)(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585282234 559119890 /nfs/dbraw/zinc/11/98/90/559119890.db2.gz CCJFJGCNWQSEGF-YFXJRYMSSA-N 0 3 409.542 3.235 40 0 HGABHN Cc1cc(OC[C@@]2(O)CN(C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CC[C@@H]2O)ccc1F ZINC000585285240 559121519 /nfs/dbraw/zinc/12/15/19/559121519.db2.gz DDPVFAHGCOMUKZ-CJOZULMCSA-N 0 3 423.569 3.278 40 0 HGABHN COc1cc(CN[C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)cc(OC)c1OC ZINC000585290625 559123253 /nfs/dbraw/zinc/12/32/53/559123253.db2.gz YSMFJHXEIWSPFZ-WAOWUJCRSA-N 0 3 405.466 3.302 40 0 HGABHN Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](CN3CCN(c4ncccn4)CC3)C=C2C)o1 ZINC000035442631 560079867 /nfs/dbraw/zinc/07/98/67/560079867.db2.gz CDOKAGJGWGLMRW-ACRUOGEOSA-N 0 3 410.566 3.387 40 0 biogenic,in-vitro HGABHN CCN1CCN(c2ccc(NC(=S)NC(=O)COc3ccccc3C)cc2)CC1 ZINC000017089351 560864110 /nfs/dbraw/zinc/86/41/10/560864110.db2.gz GJHOJRLAHOCNSD-UHFFFAOYSA-N 0 3 412.559 3.029 40 0 HGABHN COc1ccc(Cn2nnnc2[C@H](CC(C)C)N2CCN(C3CCCC3)CC2)cc1 ZINC000020141394 560881584 /nfs/dbraw/zinc/88/15/84/560881584.db2.gz XPBHBAUGUJNIHZ-QFIPXVFZSA-N 0 3 412.582 3.377 40 0 HGABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(Cl)cc2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382404 568489539 /nfs/dbraw/zinc/48/95/39/568489539.db2.gz QVUGZKMPTPQQTD-SSGKUCQKSA-N 0 3 423.944 3.487 40 0 biogenic,in-vitro HGABHN COc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)n2)cc1 ZINC000222600037 568520001 /nfs/dbraw/zinc/52/00/01/568520001.db2.gz SQFSTPULXBZMAZ-SFHVURJKSA-N 0 3 424.476 3.413 40 0 HGABHN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)n1-c1cccnc1 ZINC000223261257 568543179 /nfs/dbraw/zinc/54/31/79/568543179.db2.gz HXLZQIONRSLRHY-RTWAWAEBSA-N 0 3 406.559 3.110 40 0 HGABHN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257262279 568793529 /nfs/dbraw/zinc/79/35/29/568793529.db2.gz LKUNWAMUQXQQDK-OAQYLSRUSA-N 0 3 418.488 3.165 40 0 HGABHN O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257280676 568798726 /nfs/dbraw/zinc/79/87/26/568798726.db2.gz OLWBCKRDBQHMCW-HXUWFJFHSA-N 0 3 409.452 3.395 40 0 HGABHN COc1ccc(C(C)C)cc1CN1CCO[C@]2(CCCC[C@@H]2NCC(=O)N(C)C)C1 ZINC000306126999 568889753 /nfs/dbraw/zinc/88/97/53/568889753.db2.gz FLGPNJHDHGKYNY-LADGPHEKSA-N 0 3 417.594 3.010 40 0 HGABHN Cc1ccc(CN2CCOC[C@@]3(CC[C@H](CNC(=O)c4ccc(C)cc4)O3)C2)cc1 ZINC000306135787 568897782 /nfs/dbraw/zinc/89/77/82/568897782.db2.gz PAXKMWPDJXWEKB-ILBGXUMGSA-N 0 3 408.542 3.483 40 0 HGABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306136573 568898521 /nfs/dbraw/zinc/89/85/21/568898521.db2.gz PXHLWRKVAIHQRS-IRXDYDNUSA-N 0 3 407.905 3.488 40 0 HGABHN COc1ccc(-c2ccc3c(c2)S(=O)(=O)N(C)CC2(CCN(C)CC2)CO3)cc1 ZINC000306138153 568900245 /nfs/dbraw/zinc/90/02/45/568900245.db2.gz RQTXNYOWWGJBDH-UHFFFAOYSA-N 0 3 416.543 3.087 40 0 HGABHN CN(Cc1ccccc1)C(=O)[C@H]1CN(C)CC2(CCN(Cc3ccsc3)CC2)O1 ZINC000306142885 568904456 /nfs/dbraw/zinc/90/44/56/568904456.db2.gz XNEVTIWUYVHCAQ-OAQYLSRUSA-N 0 3 413.587 3.072 40 0 HGABHN Cc1cc(Br)cc(C)c1Nc1cc(C2CC2)nc(NCCN(C)C)n1 ZINC000329036434 568973848 /nfs/dbraw/zinc/97/38/48/568973848.db2.gz RISJHTGNLFEJEG-UHFFFAOYSA-N 0 3 404.356 3.294 40 0 HGABHN C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCC(C)CC2)CC3)C1 ZINC000248106450 569316200 /nfs/dbraw/zinc/31/62/00/569316200.db2.gz LRJJRJGCDCTXNE-ZKJCDFIUSA-N 0 3 412.578 3.481 40 0 HGABHN C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCC(C)CC2)CC3)C1 ZINC000248106450 569316201 /nfs/dbraw/zinc/31/62/01/569316201.db2.gz LRJJRJGCDCTXNE-ZKJCDFIUSA-N 0 3 412.578 3.481 40 0 HGABHN COc1ccc2c(c1)[C@@H]1C[C@@](C)(NC(=O)C1S(=O)(=O)c1ccc(C(C)C)cc1)O2 ZINC000004316277 569323224 /nfs/dbraw/zinc/32/32/24/569323224.db2.gz LXCBAGKGWZQIAG-DWLFOUALSA-N 0 3 415.511 3.373 40 0 HGABHN O=C(CN1CCCC1)N1CC[C@@H](c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1 ZINC000019704984 569347841 /nfs/dbraw/zinc/34/78/41/569347841.db2.gz ZHMPCMUBQOVVKS-QGZVFWFLSA-N 0 3 422.508 3.121 40 0 HGABHN COc1ccccc1CNC(=O)c1cc([C@@H]2CCN(Cc3ccc(F)cc3)C2)n[nH]1 ZINC000019707788 569347985 /nfs/dbraw/zinc/34/79/85/569347985.db2.gz KRMFZNQKCMIXNR-GOSISDBHSA-N 0 3 408.477 3.477 40 0 HGABHN O=C(CN1CC[C@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1)NC1CCCCC1 ZINC000019738946 569348673 /nfs/dbraw/zinc/34/86/73/569348673.db2.gz GVVKIYPGIWDSOI-INIZCTEOSA-N 0 3 400.498 3.366 40 0 HGABHN CC(C)N1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000015672026 291233072 /nfs/dbraw/zinc/23/30/72/291233072.db2.gz HIQGFUGTFBNEBR-FGZHOGPDSA-N 0 3 400.494 3.368 40 0 biogenic,in-vitro HGABHN COCCNC(=O)[C@@H]1Cc2cn(Cc3cc(C)on3)c3cccc(c23)[C@H](CC(C)C)N1 ZINC000049171916 291236839 /nfs/dbraw/zinc/23/68/39/291236839.db2.gz YBBGOAAXYAPTBI-SFTDATJTSA-N 0 3 424.545 3.350 40 0 biogenic,in-vitro HGABHN COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2cnc3ccccc3c2)COC1 ZINC000096112741 291236308 /nfs/dbraw/zinc/23/63/08/291236308.db2.gz NEXUBVXUBWPOBQ-SFHVURJKSA-N 0 3 402.454 3.232 40 0 biogenic,in-vitro HGABHN O[C@@H]1C[C@H](c2ccc(C(F)(F)F)nc2)[C@@H](NCc2cccc(C(F)(F)F)c2)[C@@H]1O ZINC000077261965 291245951 /nfs/dbraw/zinc/24/59/51/291245951.db2.gz PZTWUMGAGKLEAE-MUIFIZLQSA-N 0 3 420.353 3.487 40 0 biogenic,in-vitro HGABHN CC(=O)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000012291199 132357966 /nfs/dbraw/zinc/35/79/66/132357966.db2.gz FHVGMZKYAJZXLQ-QHCPKHFHSA-N 0 3 412.505 3.142 40 0 HGABHN COc1cc(C(=O)N2CCC[C@H](N3CCc4ccccc4C3)C2)cc(OC)c1OC ZINC000408613126 557531262 /nfs/dbraw/zinc/53/12/62/557531262.db2.gz XNLLIYMBBDXPEM-FQEVSTJZSA-N 0 3 410.514 3.375 40 0 HGABHN Cn1c(SCCN2CCCC2)nnc1[C@@H]1CCCN1C(=O)NC1CCCCC1 ZINC000005001591 557623872 /nfs/dbraw/zinc/62/38/72/557623872.db2.gz URMJFPBBJRRFSF-KRWDZBQOSA-N 0 3 406.600 3.182 40 0 HGABHN Cc1ccc(NC(=O)CN2CC3(CCN(C)CC3)Oc3ccccc3C2=O)cc1F ZINC000012142619 558334955 /nfs/dbraw/zinc/33/49/55/558334955.db2.gz JAMIRYSQCBAFHO-UHFFFAOYSA-N 0 3 411.477 3.072 40 0 HGABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc4c(c3)CCO4)CC1)C[C@@H]2O ZINC000012329298 558383974 /nfs/dbraw/zinc/38/39/74/558383974.db2.gz YUPQQSBWLXTTIU-LEWJYISDSA-N 0 3 411.498 3.014 40 0 HGABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000012329335 558384001 /nfs/dbraw/zinc/38/40/01/558384001.db2.gz ZUOGIJIWJSTVCM-UXHICEINSA-N 0 3 411.498 3.150 40 0 HGABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(Cl)cc1 ZINC000020636719 558396137 /nfs/dbraw/zinc/39/61/37/558396137.db2.gz BTTVJVNEYUYKJL-RBUKOAKNSA-N 0 3 411.889 3.105 40 0 HGABHN OCCN1CCC(CO)(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000143115776 558673729 /nfs/dbraw/zinc/67/37/29/558673729.db2.gz JVDHJXANUQUVPF-UHFFFAOYSA-N 0 3 410.543 3.267 40 0 HGABHN CCOC(=O)c1sc(N2CCNCC2)nc1-c1ccc(OC(F)(F)F)cc1 ZINC000016158352 558774076 /nfs/dbraw/zinc/77/40/76/558774076.db2.gz OXVDCXRGKWYZAL-UHFFFAOYSA-N 0 3 401.410 3.295 40 0 HGABHN Cc1ccc(CN2CCC(C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)cc1 ZINC000038831243 558816707 /nfs/dbraw/zinc/81/67/07/558816707.db2.gz XHEQFPXMCCOWJJ-UHFFFAOYSA-N 0 3 421.585 3.356 40 0 HGABHN COc1cc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1OC ZINC000019129189 558845195 /nfs/dbraw/zinc/84/51/95/558845195.db2.gz HEILMMFOMQKOKW-MRXNPFEDSA-N 0 3 411.506 3.025 40 0 HGABHN Cc1ccccc1-c1ncc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cn1 ZINC000019237539 558856803 /nfs/dbraw/zinc/85/68/03/558856803.db2.gz JLFVCAHAMYSPCK-VXMMSVGHSA-N 0 3 403.530 3.305 40 0 HGABHN Cc1ccsc1CN1CCC(O)(Cn2cnc3sc(C)c(C)c3c2=O)CC1 ZINC000019238612 558857475 /nfs/dbraw/zinc/85/74/75/558857475.db2.gz SUHQJHGBBWZXFB-UHFFFAOYSA-N 0 3 403.573 3.472 40 0 HGABHN FC(F)(F)c1cccc(CN2CCC[C@@H](Cn3nnc(-c4cnccn4)n3)C2)c1 ZINC000019293311 558865099 /nfs/dbraw/zinc/86/50/99/558865099.db2.gz AEMMKQMNTVMEPL-OAHLLOKOSA-N 0 3 403.412 3.061 40 0 HGABHN COc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)ccc1OC(C)C ZINC000019450780 558889068 /nfs/dbraw/zinc/88/90/68/558889068.db2.gz BWNXHDWLQWTTNZ-RJGXRXQPSA-N 0 3 410.558 3.345 40 0 HGABHN COc1ccc2c(c1)C(=O)N[C@@]1(CCN([C@@H](C)Cc3ccc(OC)c(OC)c3)C1)CC2 ZINC000019456765 558892135 /nfs/dbraw/zinc/89/21/35/558892135.db2.gz QTGUMDXHONAXJW-SSOJOUAXSA-N 0 3 424.541 3.464 40 0 HGABHN COc1ccc(NC(=O)c2cc(C3CCN(C4CCOCC4)CC3)no2)c(OC)c1 ZINC000019552574 558916041 /nfs/dbraw/zinc/91/60/41/558916041.db2.gz OUQHXLGOECVFND-UHFFFAOYSA-N 0 3 415.490 3.303 40 0 HGABHN Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(CC(=O)N3CCC(C)CC3)C2)n1 ZINC000072374862 558963075 /nfs/dbraw/zinc/96/30/75/558963075.db2.gz BDXCVYQBWJEIKI-IBGZPJMESA-N 0 3 408.550 3.362 40 0 HGABHN CCc1cc2c(ncn(CC(=O)N(Cc3ccccc3)C3CCN(C)CC3)c2=O)s1 ZINC000019714821 558975163 /nfs/dbraw/zinc/97/51/63/558975163.db2.gz SIWFNEHDZOMPOW-UHFFFAOYSA-N 0 3 424.570 3.143 40 0 HGABHN COc1cccc(CN2CCC(O)(Cn3ncc4ccc(NC(C)=O)cc43)CC2)c1 ZINC000072397194 558975680 /nfs/dbraw/zinc/97/56/80/558975680.db2.gz QQPZOKIYRNFQMA-UHFFFAOYSA-N 0 3 408.502 3.030 40 0 HGABHN Cc1cc(CN2CCC[C@]3(CCCN3C(=O)COc3ccccc3C)CC2)n(C)n1 ZINC000585100112 559023782 /nfs/dbraw/zinc/02/37/82/559023782.db2.gz FVJDDEWACKOBFN-DEOSSOPVSA-N 0 3 410.562 3.463 40 0 HGABHN O=C(C[C@@H]1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052815 559092511 /nfs/dbraw/zinc/09/25/11/559092511.db2.gz QTVFLOQYCBZKDN-HXUWFJFHSA-N 0 3 405.542 3.352 40 0 HGABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(Cc1ccncc1)CCC2 ZINC000096056085 559093979 /nfs/dbraw/zinc/09/39/79/559093979.db2.gz XHDYNLUDZZQYED-URXFXBBRSA-N 0 3 408.546 3.062 40 0 HGABHN CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccccc3)CC2)c2ccccc21 ZINC000096242219 559103867 /nfs/dbraw/zinc/10/38/67/559103867.db2.gz XCWJLXFWFRORNS-OAQYLSRUSA-N 0 3 419.569 3.416 40 0 HGABHN COc1ccc(CCN2C[C@H]3CCN(Cc4ccccc4)CC[C@H]3S2(=O)=O)cc1 ZINC000096263739 559107307 /nfs/dbraw/zinc/10/73/07/559107307.db2.gz WGTMTXCCWKZFPQ-FYYLOGMGSA-N 0 3 414.571 3.164 40 0 HGABHN C[C@]1(O)CN(C(=O)c2cccc(OCCN3CCCC3)c2)CC[C@@H]1Oc1ccccc1 ZINC000585262221 559110556 /nfs/dbraw/zinc/11/05/56/559110556.db2.gz GRKWYZOVVXNKTJ-ZCYQVOJMSA-N 0 3 424.541 3.206 40 0 HGABHN CC(C)(C)[C@H]1CC[C@](O)(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287807 559123116 /nfs/dbraw/zinc/12/31/16/559123116.db2.gz SEVNESIAQBTRKE-YFXJRYMSSA-N 0 3 409.542 3.235 40 0 HGABHN Cc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000020140657 560881410 /nfs/dbraw/zinc/88/14/10/560881410.db2.gz DRYWWSNSECVKDS-PKTZIBPZSA-N 0 3 424.593 3.200 40 0 HGABHN CC(C)c1nccc(C[C@H]2[C@H](NCc3ccccc3C(F)(F)F)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382115 568489426 /nfs/dbraw/zinc/48/94/26/568489426.db2.gz FGOSTAYPSCONIB-HNBVOPMISA-N 0 3 423.479 3.309 40 0 biogenic,in-vitro HGABHN CCN(CC)S(=O)(=O)N1CCC(c2cc(Nc3ccccn3)cc(C)n2)CC1 ZINC000257214549 568780463 /nfs/dbraw/zinc/78/04/63/568780463.db2.gz CMKDGRIKPIKUBM-UHFFFAOYSA-N 0 3 403.552 3.295 40 0 HGABHN O=C(c1ccccc1CN1CCCC1)N1CCOC[C@@H](Cc2cccn3nccc23)C1 ZINC000257338816 568815569 /nfs/dbraw/zinc/81/55/69/568815569.db2.gz YZBJZTLKFJUNTN-FQEVSTJZSA-N 0 3 418.541 3.261 40 0 HGABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218565334 568881904 /nfs/dbraw/zinc/88/19/04/568881904.db2.gz FCGSADDHOIRCQG-RZUBCFFCSA-N 0 3 401.528 3.005 40 0 HGABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218587479 568882635 /nfs/dbraw/zinc/88/26/35/568882635.db2.gz OMBKGVQRHQKMII-HBFSDRIKSA-N 0 3 407.919 3.096 40 0 HGABHN CN(C)c1cccc(C(=O)N2CCO[C@@]3(CCCC[C@H]3NCc3cccnc3)C2)c1 ZINC000306128750 568891471 /nfs/dbraw/zinc/89/14/71/568891471.db2.gz HJMUWFBUXRTCGW-VWNXMTODSA-N 0 3 408.546 3.091 40 0 HGABHN Cc1ncsc1CN1CCC2(CC1)CN(C)Cc1nnc(-c3ccc(F)cc3)n12 ZINC000306133601 568895678 /nfs/dbraw/zinc/89/56/78/568895678.db2.gz MQOVKYVZBWQWTI-UHFFFAOYSA-N 0 3 412.538 3.286 40 0 HGABHN O=C(NC1CCCC1)c1nnc2n1CC1(CC2)CCN(Cc2cccc(F)c2)CC1 ZINC000306136147 568897973 /nfs/dbraw/zinc/89/79/73/568897973.db2.gz PKVKRGJXFZJDCE-UHFFFAOYSA-N 0 3 411.525 3.318 40 0 HGABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3cccc(F)c3)C[C@H]1C2 ZINC000306141263 568902818 /nfs/dbraw/zinc/90/28/18/568902818.db2.gz VQFYQXBJXIYXFF-CVEARBPZSA-N 0 3 409.440 3.113 40 0 HGABHN CC(C)(C)OC(=O)N1CCN[C@]2(C1)CCCN(C(=O)OCc1ccccc1)CC2 ZINC000306145613 568906548 /nfs/dbraw/zinc/90/65/48/568906548.db2.gz KMSUUURLBMUGNO-JOCHJYFZSA-N 0 3 403.523 3.388 40 0 HGABHN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCC(C)CC2)CC3)C1 ZINC000248106447 569316183 /nfs/dbraw/zinc/31/61/83/569316183.db2.gz LRJJRJGCDCTXNE-OXQNKTCESA-N 0 3 412.578 3.481 40 0 HGABHN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCC(C)CC2)CC3)C1 ZINC000248106447 569316184 /nfs/dbraw/zinc/31/61/84/569316184.db2.gz LRJJRJGCDCTXNE-OXQNKTCESA-N 0 3 412.578 3.481 40 0 HGABHN O=C(Nc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 ZINC000008298311 571037477 /nfs/dbraw/zinc/03/74/77/571037477.db2.gz PNVBBIITXLYMQC-AAIMPIBUSA-N 0 3 417.513 3.206 40 0 biogenic,in-vitro HGABHN O=C(Nc1nccs1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 ZINC000008298403 291244925 /nfs/dbraw/zinc/24/49/25/291244925.db2.gz SNHSIGAJKVHDOP-QRQLOZEOSA-N 0 3 414.579 3.207 40 0 biogenic,in-vitro HGABHN COc1ccccc1CN(C(=O)c1ccc(N2CCOCC2)cc1)C1CCN(C)CC1 ZINC000019660228 132468567 /nfs/dbraw/zinc/46/85/67/132468567.db2.gz NMUXYCLZJYNTQO-UHFFFAOYSA-N 0 3 423.557 3.268 40 0 HGABHN Cc1ccc(N(C[C@@H](O)CN2CCC(C)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000000787217 557080729 /nfs/dbraw/zinc/08/07/29/557080729.db2.gz VMXFBFCOTLUTJQ-NRFANRHFSA-N 0 3 402.560 3.283 40 0 HGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccnc4)[C@H]3C2=O)cc1 ZINC000004140190 557519270 /nfs/dbraw/zinc/51/92/70/557519270.db2.gz CAKLGVMOEACNNO-NJYVYQBISA-N 0 3 401.422 3.141 40 0 HGABHN Cc1cccc(CN2CCC(C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2)c1 ZINC000039752919 558687065 /nfs/dbraw/zinc/68/70/65/558687065.db2.gz DJDUCTXHZDHWTP-UHFFFAOYSA-N 0 3 421.541 3.318 40 0 HGABHN COc1cc(CNCCSc2nnnn2C)ccc1OCc1ccccc1Cl ZINC000016363667 558788458 /nfs/dbraw/zinc/78/84/58/558788458.db2.gz CTJFFEDEYDIZET-UHFFFAOYSA-N 0 3 419.938 3.333 40 0 HGABHN Cc1cc(CNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)on1 ZINC000019120422 558842923 /nfs/dbraw/zinc/84/29/23/558842923.db2.gz VQJAQLOZIVHVNT-FGZHOGPDSA-N 0 3 421.472 3.369 40 0 HGABHN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@H](C)N3CCCCC3)C1)N2 ZINC000019127280 558844716 /nfs/dbraw/zinc/84/47/16/558844716.db2.gz CRIDRIBBLXSDEO-XWTMOSNGSA-N 0 3 409.525 3.295 40 0 HGABHN O=C(NC1CCC(O)CC1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372521 558879894 /nfs/dbraw/zinc/87/98/94/558879894.db2.gz CPORERBKTMTMLM-BWWMBTDCSA-N 0 3 424.516 3.176 40 0 HGABHN CC(C)[N@@H+]1CCC[C@@H](c2cc(=O)[n-]c(C3CCN(C(=O)Cc4ccccc4)CC3)n2)C1 ZINC000019447930 558886665 /nfs/dbraw/zinc/88/66/65/558886665.db2.gz OZAKETUIVUDSGL-OAQYLSRUSA-N 0 3 422.573 3.306 40 0 HGABHN CC(C)[N@H+]1CCC[C@@H](c2cc(=O)[n-]c(C3CCN(C(=O)Cc4ccccc4)CC3)n2)C1 ZINC000019447930 558886667 /nfs/dbraw/zinc/88/66/67/558886667.db2.gz OZAKETUIVUDSGL-OAQYLSRUSA-N 0 3 422.573 3.306 40 0 HGABHN C[C@H](CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccnc1)N1CCN(C)CC1 ZINC000019455586 558891915 /nfs/dbraw/zinc/89/19/15/558891915.db2.gz BGEWVEZQVKTWKK-VGSWGCGISA-N 0 3 400.954 3.357 40 0 HGABHN CCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000019499337 558897593 /nfs/dbraw/zinc/89/75/93/558897593.db2.gz JXOWJKPNXFLDAC-SFTDATJTSA-N 0 3 410.514 3.419 40 0 HGABHN CCOc1cc(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)ccc1OC ZINC000019531908 558912203 /nfs/dbraw/zinc/91/22/03/558912203.db2.gz DJQCRVSTTDXOAY-SFHVURJKSA-N 0 3 406.486 3.229 40 0 HGABHN CCOc1cc(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)ccc1OC ZINC000019531908 558912206 /nfs/dbraw/zinc/91/22/06/558912206.db2.gz DJQCRVSTTDXOAY-SFHVURJKSA-N 0 3 406.486 3.229 40 0 HGABHN O=C(CN1CCCC1)N1CCC[C@H](c2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1 ZINC000072334892 558935761 /nfs/dbraw/zinc/93/57/61/558935761.db2.gz FCGPSUBELNDWPR-AWEZNQCLSA-N 0 3 400.548 3.078 40 0 HGABHN COc1ccccc1[C@@H](CNCc1cc(-c2ccccc2)cn2nnnc12)N(C)C ZINC000019581506 558936888 /nfs/dbraw/zinc/93/68/88/558936888.db2.gz SXAIIJMYPLEQOL-OAQYLSRUSA-N 0 3 402.502 3.192 40 0 HGABHN CN(C)CCNc1nc(-c2ccncc2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000072340122 558938869 /nfs/dbraw/zinc/93/88/69/558938869.db2.gz ABFRHMKWOFHEMB-UHFFFAOYSA-N 0 3 406.509 3.210 40 0 HGABHN CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2ccccn2)C1 ZINC000019591329 558941628 /nfs/dbraw/zinc/94/16/28/558941628.db2.gz MGMKWPYONXMYTF-DEOSSOPVSA-N 0 3 401.514 3.110 40 0 HGABHN CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2cccnc2)C1 ZINC000019591339 558941975 /nfs/dbraw/zinc/94/19/75/558941975.db2.gz BJLYOQXRZHXHBN-DEOSSOPVSA-N 0 3 401.514 3.110 40 0 HGABHN COCCOc1cccc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 ZINC000019593790 558944799 /nfs/dbraw/zinc/94/47/99/558944799.db2.gz GZBCQQYHBBNARY-YTQUADARSA-N 0 3 421.492 3.206 40 0 HGABHN COCc1ccc(OC)c(CN2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)c1 ZINC000019594352 558945362 /nfs/dbraw/zinc/94/53/62/558945362.db2.gz ZFIMJSNASFBZKU-QGZVFWFLSA-N 0 3 413.547 3.469 40 0 HGABHN COc1cccc(OCCc2cc([C@@H]3CCN(Cc4cccnc4N(C)C)C3)n[nH]2)c1 ZINC000072371742 558959164 /nfs/dbraw/zinc/95/91/64/558959164.db2.gz DXGRGVIJGGCCDJ-GOSISDBHSA-N 0 3 421.545 3.490 40 0 HGABHN COc1cccc(OCCc2cc([C@@H]3CCN(Cc4cccnc4N(C)C)C3)[nH]n2)c1 ZINC000072371742 558959165 /nfs/dbraw/zinc/95/91/65/558959165.db2.gz DXGRGVIJGGCCDJ-GOSISDBHSA-N 0 3 421.545 3.490 40 0 HGABHN C[C@H]1C[C@H]1C(=O)N1CCC(c2nc3c(c(=O)[n-]2)C[N@H+](CC2CCCCC2)CC3)CC1 ZINC000072398737 558976151 /nfs/dbraw/zinc/97/61/51/558976151.db2.gz DJNQQKJQDPXHIO-QFBILLFUSA-N 0 3 412.578 3.070 40 0 HGABHN C[C@H]1C[C@H]1C(=O)N1CCC(c2nc3c(c(=O)[n-]2)C[N@@H+](CC2CCCCC2)CC3)CC1 ZINC000072398737 558976153 /nfs/dbraw/zinc/97/61/53/558976153.db2.gz DJNQQKJQDPXHIO-QFBILLFUSA-N 0 3 412.578 3.070 40 0 HGABHN COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CN3C[C@H](C)c3ccccc3)C2)c1 ZINC000585107933 559029731 /nfs/dbraw/zinc/02/97/31/559029731.db2.gz GQDSFXBAETZEBS-LRXVAGHRSA-N 0 3 400.544 3.194 40 0 HGABHN CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccc(C)s3)CC2)O1 ZINC000096036870 559090689 /nfs/dbraw/zinc/09/06/89/559090689.db2.gz KGTKTHULXQLWIN-GOSISDBHSA-N 0 3 402.564 3.012 40 0 HGABHN CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21 ZINC000096052884 559092612 /nfs/dbraw/zinc/09/26/12/559092612.db2.gz LAWFNRMFYPRDNT-IBGZPJMESA-N 0 3 409.530 3.009 40 0 HGABHN CN1CCN(C(=O)C[C@@H]2CC3(CCN(Cc4cccnc4)CC3)c3ccccc32)CC1 ZINC000096052943 559092701 /nfs/dbraw/zinc/09/27/01/559092701.db2.gz RJDOUYJJISJQQG-JOCHJYFZSA-N 0 3 418.585 3.267 40 0 HGABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(Cc1ccccn1)CCC2 ZINC000096056083 559093965 /nfs/dbraw/zinc/09/39/65/559093965.db2.gz FZTCTXUCQKITSW-RDPSFJRHSA-N 0 3 408.546 3.062 40 0 HGABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(Cc1nccs1)CCC2 ZINC000096056078 559094033 /nfs/dbraw/zinc/09/40/33/559094033.db2.gz AMOZKYVHUSCAMB-AVRDEDQJSA-N 0 3 414.575 3.124 40 0 HGABHN Cc1cccc(CN2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)c1 ZINC000096145096 559096996 /nfs/dbraw/zinc/09/69/96/559096996.db2.gz FTQFUCUWMRDIHC-UHFFFAOYSA-N 0 3 400.544 3.290 40 0 HGABHN Cc1nc(-c2cc(C(=O)N3CC[C@@H](N(C)C)C3)c3ccccn23)cn1-c1ccccn1 ZINC000096154976 559099303 /nfs/dbraw/zinc/09/93/03/559099303.db2.gz LDTAULXXKZEKIB-GOSISDBHSA-N 0 3 414.513 3.272 40 0 HGABHN COc1ccc(CN(C)C[C@]2(O)CCN(Cc3ccc(OCCF)cc3)C2)cc1 ZINC000585269633 559115344 /nfs/dbraw/zinc/11/53/44/559115344.db2.gz DRTISZXPVMHAJE-HSZRJFAPSA-N 0 3 402.510 3.112 40 0 HGABHN Cc1[nH]nc2c1C(c1cnn(C)c1)c1c3nc(-c4c[nH]c5ccccc45)nn3cnc1O2 ZINC000017093520 559122755 /nfs/dbraw/zinc/12/27/55/559122755.db2.gz QSUMCHWOISDNTG-KRWDZBQOSA-N 0 3 423.440 3.324 40 0 HGABHN Cc1ccccc1OC[C@@]1(O)COCCN(C[C@@]2(O)CC[C@H](C(C)(C)C)CC2)C1 ZINC000585287605 559123195 /nfs/dbraw/zinc/12/31/95/559123195.db2.gz PLEPWSABVDIVHH-ZTCOLXNVSA-N 0 3 405.579 3.405 40 0 HGABHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000101130161 559177346 /nfs/dbraw/zinc/17/73/46/559177346.db2.gz AIRJRZRRFRLGKT-AABGKKOBSA-N 0 3 418.405 3.117 40 0 HGABHN O=S(=O)(c1ccc2ccccc2c1)N(C[C@H](O)CN1CCCC1)c1ccccc1 ZINC000005023383 560623719 /nfs/dbraw/zinc/62/37/19/560623719.db2.gz XVHAYCWRZDGZFG-JOCHJYFZSA-N 0 3 410.539 3.492 40 0 HGABHN c1ccc(Cn2nnnc2[C@H](c2cccnc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000019363510 560872803 /nfs/dbraw/zinc/87/28/03/560872803.db2.gz PQYHSKFDBZABDY-QHCPKHFHSA-N 0 3 417.561 3.156 40 0 HGABHN O=C1CCCC[C@]2(CN(Cc3ccnc(N4CCCCC4)n3)C[C@H]2c2ccccc2)N1 ZINC000257205378 568777723 /nfs/dbraw/zinc/77/77/23/568777723.db2.gz AYTTYCDPDBEYBS-WIOPSUGQSA-N 0 3 419.573 3.495 40 0 HGABHN COc1c(C)cccc1CN1CCC[C@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000257243401 568788277 /nfs/dbraw/zinc/78/82/77/568788277.db2.gz IGUQCKGJSXTZGK-IBGZPJMESA-N 0 3 421.545 3.264 40 0 HGABHN CN(CC(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(N)=O)C1)C1CCCC1 ZINC000257267780 568795033 /nfs/dbraw/zinc/79/50/33/568795033.db2.gz MISINMCRHKQSPH-QFIPXVFZSA-N 0 3 421.969 3.077 40 0 HGABHN Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2cccc(OCCN(C)C)c2)n1 ZINC000257278903 568798218 /nfs/dbraw/zinc/79/82/18/568798218.db2.gz OEDGQJPQOMBTJQ-JOCHJYFZSA-N 0 3 419.529 3.493 40 0 HGABHN c1cn2nc(C[C@@H]3COCCN(Cc4ccccc4N4CCCCC4)C3)ccc2n1 ZINC000257298874 568804197 /nfs/dbraw/zinc/80/41/97/568804197.db2.gz RNPOFLFCOLWVJO-FQEVSTJZSA-N 0 3 405.546 3.411 40 0 HGABHN Cc1nc2cc(NC(=O)CN3C[C@@H]4[C@@H](Cc5ccnc(C)n5)CC[C@@H]4C3)ccc2n1C ZINC000257319846 568810184 /nfs/dbraw/zinc/81/01/84/568810184.db2.gz VUGYORQJBKCCGJ-DBXWQHBBSA-N 0 3 418.545 3.119 40 0 HGABHN CCOC[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218217647 568836556 /nfs/dbraw/zinc/83/65/56/568836556.db2.gz OTWBSRSMBMOJHH-GBESFXJTSA-N 0 3 424.360 3.370 40 0 HGABHN Cc1ccc(-c2nnc3n(c2=O)CCC32CCN(Cc3cccc(C)n3)CC2)cc1 ZINC000306123183 568886234 /nfs/dbraw/zinc/88/62/34/568886234.db2.gz AGOAUADXDICMHI-UHFFFAOYSA-N 0 3 401.514 3.255 40 0 HGABHN CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccc(F)c2)CC1 ZINC000306132779 568895047 /nfs/dbraw/zinc/89/50/47/568895047.db2.gz LSAVRRVRHOHQIL-UHFFFAOYSA-N 0 3 413.541 3.422 40 0 HGABHN COc1ccc(-c2nnc3n2C2(CCN(Cc4ccsc4)CC2)CN(C)C3)cc1 ZINC000306133226 568895404 /nfs/dbraw/zinc/89/54/04/568895404.db2.gz MFTGEWDFNNVUHE-UHFFFAOYSA-N 0 3 409.559 3.452 40 0 HGABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3cccc(F)c3)C[C@H]1C2 ZINC000306141265 568902971 /nfs/dbraw/zinc/90/29/71/568902971.db2.gz VQFYQXBJXIYXFF-HZPDHXFCSA-N 0 3 409.440 3.113 40 0 HGABHN COCC(=O)N1Cc2c(nc(C)n2C(C)C)C2(CCN(Cc3ccccc3)CC2)C1 ZINC000306144090 568905335 /nfs/dbraw/zinc/90/53/35/568905335.db2.gz YVUXZWVFMGGFTC-UHFFFAOYSA-N 0 3 410.562 3.295 40 0 HGABHN COC[C@@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218228835 568928533 /nfs/dbraw/zinc/92/85/33/568928533.db2.gz FZKUGDLVSLHEID-QYZOEREBSA-N 0 3 424.360 3.289 40 0 HGABHN Cc1ccc(CNCCN(Cc2ccc(C)cc2)[C@@]2(C)CCS(=O)(=O)C2)cc1 ZINC000575421423 569025834 /nfs/dbraw/zinc/02/58/34/569025834.db2.gz QLULZKRLWHKNCE-QHCPKHFHSA-N 0 3 400.588 3.472 40 0 HGABHN Cc1cccc(CC(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@H]2CN(C)C)c1 ZINC000248102758 569316247 /nfs/dbraw/zinc/31/62/47/569316247.db2.gz IBKPXISGUJYBEX-DNQXCXABSA-N 0 3 421.585 3.353 40 0 HGABHN Cn1cnc(S(=O)(=O)N2[C@H](Cc3ccccc3)C[C@@]3(C)[C@@H]2CCCCCN3C)c1 ZINC000019713477 569348370 /nfs/dbraw/zinc/34/83/70/569348370.db2.gz HHDKHDHITRGRKD-URVUXULASA-N 0 3 416.591 3.059 40 0 HGABHN CN(C)CCNc1nc(C2CC2)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000329030184 571304484 /nfs/dbraw/zinc/30/44/84/571304484.db2.gz QCBROKCVVHEDIA-UHFFFAOYSA-N 0 3 416.367 3.653 40 0 HGABHN CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2ccccc2CN(C)C)c1=O ZINC000004237227 291233087 /nfs/dbraw/zinc/23/30/87/291233087.db2.gz CYOZFBDAJOPYJG-PKOBYXMFSA-N 0 3 408.546 3.114 40 0 biogenic,in-vitro HGABHN O=C(NCCC[NH+]1CCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044900189 527662202 /nfs/dbraw/zinc/66/22/02/527662202.db2.gz CFQZUEFRVCIFDL-UHFFFAOYSA-N 0 3 421.950 3.357 40 0 HGABHN Cc1c(CN2CCC[C@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)cnn1C ZINC000019749085 558268261 /nfs/dbraw/zinc/26/82/61/558268261.db2.gz ZOTWUVCICGALSI-INIZCTEOSA-N 0 3 409.456 3.235 40 0 HGABHN Cc1nc([C@H]2CCCN(C(=O)C3CCN(C)CC3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765850 558278272 /nfs/dbraw/zinc/27/82/72/558278272.db2.gz FKZQXFWOFDYPDD-IBGZPJMESA-N 0 3 421.545 3.085 40 0 HGABHN Cc1nc([C@@H]2CCCN2C(=O)C2CCN(C)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019765852 558278284 /nfs/dbraw/zinc/27/82/84/558278284.db2.gz XRDQDRSKENOXLH-FQEVSTJZSA-N 0 3 407.518 3.043 40 0 HGABHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCC2(CC1)Nc1ccccc1C(=O)N2 ZINC000012117910 558329485 /nfs/dbraw/zinc/32/94/85/558329485.db2.gz FRVFEMIQUCBWIM-UHFFFAOYSA-N 0 3 418.541 3.460 40 0 HGABHN CC(=O)N1c2ccc([C@@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)cc2C[C@@H]1C ZINC000012146832 558338067 /nfs/dbraw/zinc/33/80/67/558338067.db2.gz VLOYFEDSIKUYRS-HJPURHCSSA-N 0 3 412.505 3.140 40 0 HGABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1OC ZINC000012329671 558384261 /nfs/dbraw/zinc/38/42/61/558384261.db2.gz JGKMQMAJQMCTGP-UXHICEINSA-N 0 3 413.514 3.396 40 0 HGABHN Cc1c2cc(C)ccc2[nH]c1CN1[C@@H]2CC[C@H]1CC(O)(Cn1nc(C)ccc1=O)C2 ZINC000012366104 558388136 /nfs/dbraw/zinc/38/81/36/558388136.db2.gz DVAHPMTWRRIOOR-QRQCMCJISA-N 0 3 406.530 3.208 40 0 HGABHN CCOc1ccccc1CN1[C@@H]2CC[C@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 ZINC000012366325 558388208 /nfs/dbraw/zinc/38/82/08/558388208.db2.gz YTEFIBLZVKZJTH-VXMMSVGHSA-N 0 3 409.530 3.078 40 0 HGABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(SC)cc1 ZINC000020636840 558396165 /nfs/dbraw/zinc/39/61/65/558396165.db2.gz XFHNJKGNKCLCNB-PMACEKPBSA-N 0 3 423.538 3.173 40 0 HGABHN COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000039765502 558685958 /nfs/dbraw/zinc/68/59/58/558685958.db2.gz CCYOZIPVCGMPPU-UHFFFAOYSA-N 0 3 424.497 3.419 40 0 HGABHN COc1ccc(CCNCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 ZINC000035311553 558789732 /nfs/dbraw/zinc/78/97/32/558789732.db2.gz ZFTGUFZTHDXRHY-UHFFFAOYSA-N 0 3 409.530 3.482 40 0 HGABHN COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)CC1 ZINC000038836195 558817979 /nfs/dbraw/zinc/81/79/79/558817979.db2.gz KFNSUFDRIIACPT-HXUWFJFHSA-N 0 3 411.521 3.395 40 0 HGABHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@@H]2C1=O ZINC000100969863 558822749 /nfs/dbraw/zinc/82/27/49/558822749.db2.gz CAUKAGFZMJWBNQ-BDTNDASRSA-N 0 3 416.433 3.452 40 0 HGABHN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@@H](C)N3CCCCC3)C1)N2 ZINC000019127283 558844710 /nfs/dbraw/zinc/84/47/10/558844710.db2.gz CRIDRIBBLXSDEO-VSZNYVQBSA-N 0 3 409.525 3.295 40 0 HGABHN Cn1ccnc1[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCN2C2CCCCC2)CC1 ZINC000019291296 558863882 /nfs/dbraw/zinc/86/38/82/558863882.db2.gz ATHZOPWLUAKWTM-GOTSBHOMSA-N 0 3 421.589 3.061 40 0 HGABHN O=c1cc([C@@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)nc(N2CCOCC2)[n-]1 ZINC000019293307 558865006 /nfs/dbraw/zinc/86/50/06/558865006.db2.gz VZJWIMBQOFLRRV-MRXNPFEDSA-N 0 3 422.451 3.005 40 0 HGABHN O=c1cc([C@@H]2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)nc(N2CCOCC2)[n-]1 ZINC000019293307 558865008 /nfs/dbraw/zinc/86/50/08/558865008.db2.gz VZJWIMBQOFLRRV-MRXNPFEDSA-N 0 3 422.451 3.005 40 0 HGABHN O=C(C[C@H]1NC(=O)N(C2CCCCC2)C1=O)Nc1ccccc1CN1CCCCC1 ZINC000019349074 558874823 /nfs/dbraw/zinc/87/48/23/558874823.db2.gz RQGCNWJNZUOCTJ-HXUWFJFHSA-N 0 3 412.534 3.254 40 0 HGABHN O=C([C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1)N1CCCCC1 ZINC000019372452 558879950 /nfs/dbraw/zinc/87/99/50/558879950.db2.gz UBVXAJDPSGRJGN-VXKWHMMOSA-N 0 3 419.573 3.305 40 0 HGABHN O=c1ccc(-c2cccs2)nn1CC1(O)C[C@H]2CCC[C@@H](C1)N2Cc1ccccn1 ZINC000019401443 558883555 /nfs/dbraw/zinc/88/35/55/558883555.db2.gz IIHCDCFXTGIKEB-LIMIJEPZSA-N 0 3 422.554 3.315 40 0 HGABHN COc1ccc(C[N@@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3CC2)cc1OC(C)C ZINC000019450499 558888844 /nfs/dbraw/zinc/88/88/44/558888844.db2.gz YSSHNBKLWXVDLS-UHFFFAOYSA-N 0 3 420.513 3.229 40 0 HGABHN COc1ccc(C[N@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3CC2)cc1OC(C)C ZINC000019450499 558888847 /nfs/dbraw/zinc/88/88/47/558888847.db2.gz YSSHNBKLWXVDLS-UHFFFAOYSA-N 0 3 420.513 3.229 40 0 HGABHN CCOc1ccccc1CN1CCC2(C[C@@]3(CO2)Nc2ccccc2C(=O)N3)CC1 ZINC000019520172 558901043 /nfs/dbraw/zinc/90/10/43/558901043.db2.gz SOASZPMVXMYUAS-XMMPIXPASA-N 0 3 407.514 3.392 40 0 HGABHN CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)NC[C@H](C)N3CCC(C)CC3)cc2N1 ZINC000019520592 558901720 /nfs/dbraw/zinc/90/17/20/558901720.db2.gz NXZPXSZEBFGIOW-SQWLQELKSA-N 0 3 401.477 3.431 40 0 HGABHN COc1ccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c(OC)c1 ZINC000019552269 558915771 /nfs/dbraw/zinc/91/57/71/558915771.db2.gz BQIGBAVPBIFVPF-XOKHGSTOSA-N 0 3 407.465 3.198 40 0 HGABHN COc1ccc(OCCN2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 ZINC000019556855 558919266 /nfs/dbraw/zinc/91/92/66/558919266.db2.gz UDWVVUKKNOGQSJ-FHLIZLRMSA-N 0 3 407.465 3.068 40 0 HGABHN CN(C)CCNc1nc(-c2cccnc2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000019582960 558937573 /nfs/dbraw/zinc/93/75/73/558937573.db2.gz OHRMJYPJZBYVPD-UHFFFAOYSA-N 0 3 406.509 3.210 40 0 HGABHN CN(C)CCN(C)c1nc(-c2cccnc2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000019582485 558937613 /nfs/dbraw/zinc/93/76/13/558937613.db2.gz LRWAWWNSYNGDRU-UHFFFAOYSA-N 0 3 420.536 3.234 40 0 HGABHN O=C(CCN1CCC(c2ccc(Cc3ccccc3F)cn2)CC1)N1CCOCC1 ZINC000019690271 558959631 /nfs/dbraw/zinc/95/96/31/558959631.db2.gz LIALWKAXDMOLEM-UHFFFAOYSA-N 0 3 411.521 3.240 40 0 HGABHN CCOC1CCN(C(=O)c2ccc([C@H]3CCCN(Cc4ccccn4)C3)nc2)CC1 ZINC000019706012 558968571 /nfs/dbraw/zinc/96/85/71/558968571.db2.gz NPFYBJLGFBITDT-FQEVSTJZSA-N 0 3 408.546 3.497 40 0 HGABHN COCCOc1cccc(CN2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)c1 ZINC000072395328 558974254 /nfs/dbraw/zinc/97/42/54/558974254.db2.gz PELCPAHKCCECBR-MRXNPFEDSA-N 0 3 417.460 3.467 40 0 HGABHN COc1ccc(CN2CCC3(CC[C@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000096051635 559092260 /nfs/dbraw/zinc/09/22/60/559092260.db2.gz ISBKUKVTICNGGW-OAQYLSRUSA-N 0 3 400.544 3.418 40 0 HGABHN CN1CCN(c2ccc(NC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)cc2)CC1 ZINC000096627718 559111770 /nfs/dbraw/zinc/11/17/70/559111770.db2.gz AOXCHFOIRZBGRD-FQEVSTJZSA-N 0 3 410.537 3.428 40 0 HGABHN CN(Cc1ccc(OCc2ccccn2)cc1)C[C@]1(O)CCN(c2ccccn2)C1 ZINC000585271374 559116761 /nfs/dbraw/zinc/11/67/61/559116761.db2.gz XFXSDAAPODCDQU-XMMPIXPASA-N 0 3 404.514 3.129 40 0 HGABHN Cc1ccc(OC[C@@]2(O)CN(C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CC[C@@H]2O)cc1 ZINC000585287336 559122094 /nfs/dbraw/zinc/12/20/94/559122094.db2.gz MTJNYCJSDNEDTE-SJROBZAFSA-N 0 3 405.579 3.139 40 0 HGABHN CCCCc1ccc(CNC[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)cc1 ZINC000585289940 559122510 /nfs/dbraw/zinc/12/25/10/559122510.db2.gz NKBMLULQDDTCLH-AHWVRZQESA-N 0 3 424.585 3.076 40 0 HGABHN Cc1cc(C)nc(Nc2cc([C@H]3CCCCN3C(=O)/C=C/CN(C)C)nc(C)n2)n1 ZINC000585292504 559125290 /nfs/dbraw/zinc/12/52/90/559125290.db2.gz NRRUBQUHPSYFTE-LHUXKHBRSA-N 0 3 409.538 3.107 40 0 HGABHN O=C1C[C@H](NCCN2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000100155041 559130891 /nfs/dbraw/zinc/13/08/91/559130891.db2.gz QCPIQZBPHOPNFA-QFIPXVFZSA-N 0 3 409.505 3.002 40 0 HGABHN Cn1cc(-c2ccc3c(c2)O[C@H]2CN(C4CCC(F)(F)CC4)C[C@H]2N(C)C3=O)cn1 ZINC000514289206 560033279 /nfs/dbraw/zinc/03/32/79/560033279.db2.gz FZWDZUWZDCMRSO-QUCCMNQESA-N 0 3 416.472 3.182 40 0 biogenic,in-vitro HGABHN Cn1c(CN2CCSCC2)cc(=O)c(O)c1CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000095479252 560558249 /nfs/dbraw/zinc/55/82/49/560558249.db2.gz PCEHZJKJJZXXTI-JTSKRJEESA-N 0 3 405.608 3.040 40 0 HGABHN C[C@@H]([C@@H](O)c1ccccc1)N(C)C[C@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@@]3(C)[C@@H](O)[C@@H]21 ZINC000004028675 560597328 /nfs/dbraw/zinc/59/73/28/560597328.db2.gz SYTZVGPWDLPTPO-SMXNYXPKSA-N 0 3 413.558 3.325 40 0 HGABHN Cc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCCc3ccccc3)cc2c1 ZINC000004133413 560600425 /nfs/dbraw/zinc/60/04/25/560600425.db2.gz WELDBLQQPUAEHV-UHFFFAOYSA-N 0 3 422.598 3.317 40 0 HGABHN Cc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000020140648 560881424 /nfs/dbraw/zinc/88/14/24/560881424.db2.gz DRYWWSNSECVKDS-XZOQPEGZSA-N 0 3 424.593 3.200 40 0 HGABHN OC[C@H]1[C@H](O)C[C@@H](NCc2cccc(Cl)c2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382107 568489399 /nfs/dbraw/zinc/48/93/99/568489399.db2.gz DRPJVSIOMQTNPS-SSGKUCQKSA-N 0 3 423.944 3.487 40 0 biogenic,in-vitro HGABHN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000223714626 568557064 /nfs/dbraw/zinc/55/70/64/568557064.db2.gz QJFGOURJGYBVGF-NHCUHLMSSA-N 0 3 421.526 3.193 40 0 HGABHN COC(=O)CSc1nnc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)s1 ZINC000225837628 568679526 /nfs/dbraw/zinc/67/95/26/568679526.db2.gz PZIJXUCHPCAKGU-UHFFFAOYSA-N 0 3 420.560 3.287 40 0 HGABHN CCOC(=O)[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000225661701 568778264 /nfs/dbraw/zinc/77/82/64/568778264.db2.gz FYDSZLRCGNAQST-WSTZPKSXSA-N 0 3 407.919 3.096 40 0 HGABHN Cc1cc(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@@H+]3C)[n-]c(=O)n1 ZINC000257245102 568788873 /nfs/dbraw/zinc/78/88/73/568788873.db2.gz IOBNYTWBYPUZMV-ZTGMJEERSA-N 0 3 406.530 3.189 40 0 HGABHN Cc1cc(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@H+]3C)[n-]c(=O)n1 ZINC000257245102 568788876 /nfs/dbraw/zinc/78/88/76/568788876.db2.gz IOBNYTWBYPUZMV-ZTGMJEERSA-N 0 3 406.530 3.189 40 0 HGABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)CN4CCCC4=O)C3)c2)cc1 ZINC000257247855 568789680 /nfs/dbraw/zinc/78/96/80/568789680.db2.gz JAWJDLMRZWZKDK-GOSISDBHSA-N 0 3 422.529 3.471 40 0 HGABHN O=C(c1ccccc1CN1CCCC1)N1CCOC[C@@H](Cc2ccc3nccn3c2)C1 ZINC000257275024 568797168 /nfs/dbraw/zinc/79/71/68/568797168.db2.gz NNQWZXUQZULSPF-NRFANRHFSA-N 0 3 418.541 3.261 40 0 HGABHN Cc1cc(OC[C@H](O)CNC[C@@H](O)COc2ccc(Cl)c(C)c2)ccc1Cl ZINC000002685833 568800931 /nfs/dbraw/zinc/80/09/31/568800931.db2.gz BTNURVOOMFXKRL-HZPDHXFCSA-N 0 3 414.329 3.379 40 0 HGABHN COc1ccc2[nH]c(CN3CCC4(CC3)C[C@@H](O)[C@H](c3ccccc3)NC4=O)cc2c1 ZINC000257305308 568806149 /nfs/dbraw/zinc/80/61/49/568806149.db2.gz SPIVDNXNZRCCBD-PKTZIBPZSA-N 0 3 419.525 3.381 40 0 HGABHN Cc1nc2cc([C@H]3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257324424 568811535 /nfs/dbraw/zinc/81/15/35/568811535.db2.gz WOPXWALAEDJETE-FQEVSTJZSA-N 0 3 420.561 3.188 40 0 HGABHN CCCc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)C(C)(C)N)CC2)n1 ZINC000257342135 568816616 /nfs/dbraw/zinc/81/66/16/568816616.db2.gz ZNEWIZKSWVLGMX-UHFFFAOYSA-N 0 3 402.568 3.381 40 0 HGABHN Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12CN(C[C@H]1C[C@@H]3C=C[C@H]1C3)CCO2 ZINC000306124340 568887244 /nfs/dbraw/zinc/88/72/44/568887244.db2.gz BMYJZPSYNRLJRA-XPEFGHIFSA-N 0 3 401.576 3.407 40 0 HGABHN COc1cccc(CN2C[C@@H]3CCn4c(C(=O)Nc5ccccc5)nnc4[C@H]3C2)c1 ZINC000306125155 568887860 /nfs/dbraw/zinc/88/78/60/568887860.db2.gz CICUWIYXMVFZOV-PXNSSMCTSA-N 0 3 403.486 3.158 40 0 HGABHN CC(C)CN1CCC2(CC1)CN(CC1CCCC1)S(=O)(=O)c1cccnc1O2 ZINC000306141820 568903296 /nfs/dbraw/zinc/90/32/96/568903296.db2.gz WHGDCDPVPUZUTG-UHFFFAOYSA-N 0 3 407.580 3.146 40 0 HGABHN N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)OCc3ccccc3)cc2)cc1 ZINC000065742690 568939992 /nfs/dbraw/zinc/93/99/92/568939992.db2.gz VFYYEBRHWRQXNW-UHFFFAOYSA-N 0 3 403.438 3.497 40 0 in-vitro HGABHN Cc1ccc(CNCCN(Cc2ccc(C)cc2)[C@]2(C)CCS(=O)(=O)C2)cc1 ZINC000575421422 569025820 /nfs/dbraw/zinc/02/58/20/569025820.db2.gz QLULZKRLWHKNCE-HSZRJFAPSA-N 0 3 400.588 3.472 40 0 HGABHN COCCOc1cc(CN2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)ccc1OC ZINC000247887781 569315701 /nfs/dbraw/zinc/31/57/01/569315701.db2.gz DZLJSQKFHYZXBA-ROKPMTFOSA-N 0 3 412.530 3.153 40 0 HGABHN COc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(C)c(C)c1 ZINC000004315865 569323275 /nfs/dbraw/zinc/32/32/75/569323275.db2.gz VNXZQQDHECMJME-DWLFOUALSA-N 0 3 415.511 3.209 40 0 HGABHN COC(=O)c1cc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc(C(=O)OC)c1 ZINC000009063179 569342311 /nfs/dbraw/zinc/34/23/11/569342311.db2.gz AWUGGDIZMPKRGO-UHFFFAOYSA-N 0 3 424.497 3.419 40 0 HGABHN COCCNC(=O)[C@@H]1Cc2cn(Cc3ccccn3)c3cccc(c23)[C@H](CC(C)C)N1 ZINC000049171677 291236819 /nfs/dbraw/zinc/23/68/19/291236819.db2.gz XTIFRUNZLGKOGF-VXKWHMMOSA-N 0 3 420.557 3.449 40 0 biogenic,in-vitro HGABHN COc1cc(CNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc(OC)c1OC ZINC000044917530 522428473 /nfs/dbraw/zinc/42/84/73/522428473.db2.gz AAPVBLWJLXBJGX-GOSISDBHSA-N 0 3 416.493 3.380 40 0 HGABHN Cc1ccc(NC(=O)CC2N=C(Nc3nc(-c4ccccc4)cs3)NC2=O)cc1 ZINC000019819625 525088585 /nfs/dbraw/zinc/08/85/85/525088585.db2.gz QDUTUNQKMKJOML-INIZCTEOSA-N 0 3 405.483 3.414 40 0 HGABHN Cc1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000040372460 525090953 /nfs/dbraw/zinc/09/09/53/525090953.db2.gz AYXACZFYUCLBKI-XLIONFOSSA-N 0 3 404.470 3.440 40 0 HGABHN CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCCOC[C@H]3CCCO3)cc12 ZINC000012186395 558345441 /nfs/dbraw/zinc/34/54/41/558345441.db2.gz UCUXFJOTAYCLKG-LJQANCHMSA-N 0 3 424.545 3.297 40 0 HGABHN Cc1cc(-c2cnn(CCNC(=O)CN3CCCCCC3)c2-c2ccc(C)nc2)on1 ZINC000012223170 558356467 /nfs/dbraw/zinc/35/64/67/558356467.db2.gz ULPCJGYQDKNFJV-UHFFFAOYSA-N 0 3 422.533 3.209 40 0 HGABHN CC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293411 558366531 /nfs/dbraw/zinc/36/65/31/558366531.db2.gz BLNYQDPZICOFAH-FGZHOGPDSA-N 0 3 410.514 3.338 40 0 HGABHN CC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293405 558366547 /nfs/dbraw/zinc/36/65/47/558366547.db2.gz BLNYQDPZICOFAH-YADHBBJMSA-N 0 3 410.514 3.338 40 0 HGABHN COc1ccc2c(c1)C=C(CN1CCC([C@H](NC(C)=O)c3ccccn3)CC1)CO2 ZINC000019020428 558837701 /nfs/dbraw/zinc/83/77/01/558837701.db2.gz UQQOHTYDBSXXGO-DEOSSOPVSA-N 0 3 407.514 3.455 40 0 HGABHN Cc1nc2c(C)cccn2c1CN1C[C@@H](c2ccccn2)[C@]2(C1)CCCCC(=O)N2 ZINC000019237592 558856848 /nfs/dbraw/zinc/85/68/48/558856848.db2.gz UEVBQTBVCXFZNW-YADARESESA-N 0 3 403.530 3.375 40 0 HGABHN COc1ccc(CN2C3CCC2c2c(nc(C)nc2NCC2CCCO2)C3)cc1CO ZINC000019286249 558860358 /nfs/dbraw/zinc/86/03/58/558860358.db2.gz JFZBOIGZVMQSDI-IRFCIJBXSA-N 0 3 424.545 3.139 40 0 HGABHN CC(C)NC(=O)[C@@H]1CN(Cc2cccs2)C[C@H]1c1ccnc(N2CCCCC2)n1 ZINC000019449997 558888498 /nfs/dbraw/zinc/88/84/98/558888498.db2.gz QAKDJYRQVUWQCY-RTBURBONSA-N 0 3 413.591 3.269 40 0 HGABHN C[C@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCC2)CC3)C1)c1ccccc1 ZINC000019459049 558892890 /nfs/dbraw/zinc/89/28/90/558892890.db2.gz YYJCLXCWYJGYRM-HKUYNNGSSA-N 0 3 420.557 3.190 40 0 HGABHN C[C@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCC2)CC3)C1)c1ccccc1 ZINC000019459049 558892892 /nfs/dbraw/zinc/89/28/92/558892892.db2.gz YYJCLXCWYJGYRM-HKUYNNGSSA-N 0 3 420.557 3.190 40 0 HGABHN COc1cccc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1OC ZINC000019567760 558927089 /nfs/dbraw/zinc/92/70/89/558927089.db2.gz LRNLCNDCTQWXCD-CWRNSKLLSA-N 0 3 407.465 3.198 40 0 HGABHN Cc1c(CN2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c2ccccc2n1C ZINC000072338965 558938372 /nfs/dbraw/zinc/93/83/72/558938372.db2.gz UCDPEJKCAMFMOJ-QHCPKHFHSA-N 0 3 424.570 3.429 40 0 HGABHN COC(=O)[C@@]1(Cc2ccc(OC)cc2)C(=O)C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1 ZINC000072340206 558939087 /nfs/dbraw/zinc/93/90/87/558939087.db2.gz XAAJGQSXNFAOIO-RZTXVSJASA-N 0 3 423.509 3.412 40 0 HGABHN CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3ccccc3)CC2)o1 ZINC000072344889 558941311 /nfs/dbraw/zinc/94/13/11/558941311.db2.gz FEYAJFSJHUDSSL-LJQANCHMSA-N 0 3 418.563 3.326 40 0 HGABHN CN1CC[C@@H](c2c3ccccc3sc2C(=O)NC2CCN(C(=O)C3CC3)CC2)C1 ZINC000072352563 558949150 /nfs/dbraw/zinc/94/91/50/558949150.db2.gz BOMXRRLDJZLMOJ-MRXNPFEDSA-N 0 3 411.571 3.451 40 0 HGABHN O=S(=O)(c1ccc(F)cc1)N1CCN(C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355123 558952384 /nfs/dbraw/zinc/95/23/84/558952384.db2.gz PKCDOZCPJLZKLF-SFHVURJKSA-N 0 3 417.550 3.329 40 0 HGABHN COc1ccccc1CN(Cc1cc2c(cc1C)n(C)c(=O)n2C)C1CCN(C)CC1 ZINC000019662985 558954072 /nfs/dbraw/zinc/95/40/72/558954072.db2.gz ZEMPDYJXRXOQQN-UHFFFAOYSA-N 0 3 422.573 3.290 40 0 HGABHN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN(C(=O)CN4CCCC4)C3)c2)n1 ZINC000072374934 558963431 /nfs/dbraw/zinc/96/34/31/558963431.db2.gz IGSWKSLPXQTAFO-IBGZPJMESA-N 0 3 408.550 3.342 40 0 HGABHN CCOC1CCN(C(=O)c2ccc([C@@H]3CCCN(Cc4ccccn4)C3)nc2)CC1 ZINC000019706011 558968543 /nfs/dbraw/zinc/96/85/43/558968543.db2.gz NPFYBJLGFBITDT-HXUWFJFHSA-N 0 3 408.546 3.497 40 0 HGABHN COCCOc1cccc(CN2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)c1 ZINC000072395327 558974238 /nfs/dbraw/zinc/97/42/38/558974238.db2.gz PELCPAHKCCECBR-INIZCTEOSA-N 0 3 417.460 3.467 40 0 HGABHN O=C(Cc1cn[nH]c1)NC1CC2(C1)CCN(Cc1ccc(OCC(F)F)cc1)CC2 ZINC000585102728 559026264 /nfs/dbraw/zinc/02/62/64/559026264.db2.gz CAEYGGJQEVDQTJ-UHFFFAOYSA-N 0 3 418.488 3.157 40 0 HGABHN CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccc(C)s3)CC2)O1 ZINC000096036869 559090705 /nfs/dbraw/zinc/09/07/05/559090705.db2.gz KGTKTHULXQLWIN-SFHVURJKSA-N 0 3 402.564 3.012 40 0 HGABHN CN1CCN(C(=O)C[C@H]2CC3(CCN(Cc4cccnc4)CC3)c3ccccc32)CC1 ZINC000096052944 559092765 /nfs/dbraw/zinc/09/27/65/559092765.db2.gz RJDOUYJJISJQQG-QFIPXVFZSA-N 0 3 418.585 3.267 40 0 HGABHN CCC(CC)NC(=O)c1ncn2c1nccc2C1CCN(Cc2cccnc2)CC1 ZINC000096155706 559099880 /nfs/dbraw/zinc/09/98/80/559099880.db2.gz OTSUZUZISFCFBP-UHFFFAOYSA-N 0 3 406.534 3.422 40 0 HGABHN CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CN(CCc1ccc(F)cc1)CC2 ZINC000585261346 559108831 /nfs/dbraw/zinc/10/88/31/559108831.db2.gz HKKSFFSBJFRCHI-UBFVSLLYSA-N 0 3 423.532 3.168 40 0 HGABHN COc1ccc(CN(C)C[C@@]2(O)CCN(Cc3ccc(OCCF)cc3)C2)cc1 ZINC000585269634 559115320 /nfs/dbraw/zinc/11/53/20/559115320.db2.gz DRTISZXPVMHAJE-QHCPKHFHSA-N 0 3 402.510 3.112 40 0 HGABHN Cc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCc3nccn3C)cc2)c(C)c1 ZINC000257315016 559282943 /nfs/dbraw/zinc/28/29/43/559282943.db2.gz UZNKRNMOOGIIAT-OAQYLSRUSA-N 0 3 409.530 3.488 40 0 HGABHN O[C@@]1(COc2ccccc2)CCCN(Cc2cccc(OCCn3ccnc3)c2)C1 ZINC000257328651 559283159 /nfs/dbraw/zinc/28/31/59/559283159.db2.gz XGOPGAGAHXOODP-DEOSSOPVSA-N 0 3 407.514 3.368 40 0 HGABHN CN1CCN([C@H]2CC[C@](CNC(=O)CC(C)(C)C)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257267189 559284861 /nfs/dbraw/zinc/28/48/61/559284861.db2.gz MGHIDEQBOGDQJF-HWBMXIPRSA-N 0 3 415.622 3.028 40 0 HGABHN COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC3CCCCC3)cc2c1 ZINC000012709939 560786303 /nfs/dbraw/zinc/78/63/03/560786303.db2.gz XZMPAIJUAHTVPS-UHFFFAOYSA-N 0 3 416.591 3.108 40 0 HGABHN c1ccc(Cn2nnnc2[C@@H](c2cccnc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000019363508 560872741 /nfs/dbraw/zinc/87/27/41/560872741.db2.gz PQYHSKFDBZABDY-HSZRJFAPSA-N 0 3 417.561 3.156 40 0 HGABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218533678 568481475 /nfs/dbraw/zinc/48/14/75/568481475.db2.gz SRMQAWYJNWDINO-BJLQDIEVSA-N 0 3 407.919 3.096 40 0 HGABHN CC(C)n1c2ccc(S(=O)(=O)NCCCN3CCC[C@@H](C)C3)cc2sc1=O ZINC000225717731 568667212 /nfs/dbraw/zinc/66/72/12/568667212.db2.gz QADILPLIDMYTGM-OAHLLOKOSA-N 0 3 411.593 3.044 40 0 HGABHN COc1ccc(CN(C)C[C@]2(O)CCCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)cc1 ZINC000257273820 568796750 /nfs/dbraw/zinc/79/67/50/568796750.db2.gz NIJANKKIDCLYMT-QHCPKHFHSA-N 0 3 414.550 3.031 40 0 HGABHN CSCC[C@H](N)C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257300752 568804614 /nfs/dbraw/zinc/80/46/14/568804614.db2.gz RVOQANXPSPPFAD-SEEKVXKWSA-N 0 3 404.576 3.233 40 0 HGABHN CN(CCC(=O)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)n[nH]1)Cc1cccnc1 ZINC000257303444 568805417 /nfs/dbraw/zinc/80/54/17/568805417.db2.gz SHGVTTGNAFRUSG-FQEVSTJZSA-N 0 3 422.508 3.115 40 0 HGABHN CN(CCC(=O)N1CCC[C@H]1c1nnc(Cc2ccc(F)cc2)[nH]1)Cc1cccnc1 ZINC000257303444 568805418 /nfs/dbraw/zinc/80/54/18/568805418.db2.gz SHGVTTGNAFRUSG-FQEVSTJZSA-N 0 3 422.508 3.115 40 0 HGABHN c1cn2cc(C[C@@H]3COCCN(Cc4ccccc4N4CCCCC4)C3)ncc2n1 ZINC000257334382 568814440 /nfs/dbraw/zinc/81/44/40/568814440.db2.gz YFQUBHQZNNXZAI-FQEVSTJZSA-N 0 3 405.546 3.411 40 0 HGABHN CC(C)n1cnc([C@H]2CN(Cc3ccco3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306125587 568888413 /nfs/dbraw/zinc/88/84/13/568888413.db2.gz CVBLCHSCFSZWEY-QPPBQGQZSA-N 0 3 419.529 3.470 40 0 HGABHN Cc1cc(C)cc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(CC2CC2)C3=O)c1 ZINC000306127650 568890448 /nfs/dbraw/zinc/89/04/48/568890448.db2.gz GEBFPOKBYIOBEZ-ZCYQVOJMSA-N 0 3 405.542 3.305 40 0 HGABHN COC[C@@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218228977 568928492 /nfs/dbraw/zinc/92/84/92/568928492.db2.gz FZKUGDLVSLHEID-FHWLQOOXSA-N 0 3 424.360 3.289 40 0 HGABHN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccncc2)nc(NCCN(C)C)n1 ZINC000329035830 568974007 /nfs/dbraw/zinc/97/40/07/568974007.db2.gz RFSIIBMHCUATPP-UHFFFAOYSA-N 0 3 416.451 3.427 40 0 HGABHN CN(C)CCNc1nc(Nc2cccc(Cl)c2Cl)cc(-c2cccnc2)n1 ZINC000329057810 568974849 /nfs/dbraw/zinc/97/48/49/568974849.db2.gz VZWUUXMFUNVHHJ-UHFFFAOYSA-N 0 3 403.317 3.406 40 0 HGABHN C[C@@]1(N(CCNCc2cccc(F)c2)Cc2cccc(F)c2)CCS(=O)(=O)C1 ZINC000575421176 569025790 /nfs/dbraw/zinc/02/57/90/569025790.db2.gz NGUKZTMSSZSAEJ-OAQYLSRUSA-N 0 3 408.514 3.134 40 0 HGABHN CCN1CCN(c2ccc(NCc3cc4cc(OC)c(OC)cc4[nH]c3=O)cc2)CC1 ZINC000013564182 569052027 /nfs/dbraw/zinc/05/20/27/569052027.db2.gz MGKNDDLVXIICAD-UHFFFAOYSA-N 0 3 422.529 3.299 40 0 HGABHN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000010329600 569343760 /nfs/dbraw/zinc/34/37/60/569343760.db2.gz USYOFIYGLPWNDR-UHFFFAOYSA-N 0 3 410.470 3.498 40 0 HGABHN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCCCN1CCN(Cc3ccccc3)CC1)C2=O ZINC000019367298 569420445 /nfs/dbraw/zinc/42/04/45/569420445.db2.gz XTGMLDFXCZWGIX-BWKNWUBXSA-N 0 3 411.590 3.396 40 0 HGABHN CN(C)CCNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2ccccc2)n1 ZINC000329002864 571304697 /nfs/dbraw/zinc/30/46/97/571304697.db2.gz KKIFELXQETWXNG-UHFFFAOYSA-N 0 3 418.545 3.697 40 0 HGABHN Cc1cnc(Nc2nc(C3CCN(C(=O)[C@H]4CCCCN4)CC3)cn3cccc23)s1 ZINC000585263388 571309506 /nfs/dbraw/zinc/30/95/06/571309506.db2.gz YDEDAXFKSFJXON-QGZVFWFLSA-N 0 3 424.574 3.691 40 0 HGABHN CC(C)CNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2cccs2)nn1C ZINC000012601929 291232650 /nfs/dbraw/zinc/23/26/50/291232650.db2.gz JPKZIFUKIHKDIZ-BBWFWOEESA-N 0 3 417.648 3.447 40 0 biogenic,in-vitro HGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@H]3C2=O)cc1 ZINC000004140186 557519372 /nfs/dbraw/zinc/51/93/72/557519372.db2.gz ZWEYECKGSIUVIR-NJYVYQBISA-N 0 3 401.422 3.141 40 0 HGABHN CCOc1cccc(CNCCCSc2nnnn2C)c1OCc1ccccc1 ZINC000007540514 557746167 /nfs/dbraw/zinc/74/61/67/557746167.db2.gz VOGFNTBZDRTSFO-UHFFFAOYSA-N 0 3 413.547 3.460 40 0 HGABHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccccc1F ZINC000019819162 558289314 /nfs/dbraw/zinc/28/93/14/558289314.db2.gz IBFIGENJHPBGRI-HNNXBMFYSA-N 0 3 400.381 3.403 40 0 HGABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1OC ZINC000012329679 558384632 /nfs/dbraw/zinc/38/46/32/558384632.db2.gz JGKMQMAJQMCTGP-PMACEKPBSA-N 0 3 413.514 3.396 40 0 HGABHN NS(=O)(=O)c1ccc(CCNCc2ccccc2OCc2ccccc2F)cc1 ZINC000016449702 558792241 /nfs/dbraw/zinc/79/22/41/558792241.db2.gz OFIJDLULCUXSPY-UHFFFAOYSA-N 0 3 414.502 3.384 40 0 HGABHN O=C(NCc1cccc(CN2CCOCC2)c1)C1CCN(Cc2ccccc2)CC1 ZINC000038831189 558816777 /nfs/dbraw/zinc/81/67/77/558816777.db2.gz VOXYARQBNLCVRU-UHFFFAOYSA-N 0 3 407.558 3.047 40 0 HGABHN C[C@H](C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)N1CCCCC1 ZINC000019080253 558839069 /nfs/dbraw/zinc/83/90/69/558839069.db2.gz SIVANCYIBBKWSC-MRXNPFEDSA-N 0 3 410.547 3.059 40 0 HGABHN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)CN3CCC[C@H](C)C3)CC1)N2 ZINC000019128713 558844995 /nfs/dbraw/zinc/84/49/95/558844995.db2.gz SCTCSRYJWGZAEK-JCGIZDLHSA-N 0 3 409.525 3.152 40 0 HGABHN O=C(Nc1ccccc1CN1CCCCCC1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000019349108 558874813 /nfs/dbraw/zinc/87/48/13/558874813.db2.gz CGULCLHTZHHVBE-OAQYLSRUSA-N 0 3 406.530 3.445 40 0 HGABHN O=C1CCCN1c1ccc(CN2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)cc1 ZINC000019402264 558883725 /nfs/dbraw/zinc/88/37/25/558883725.db2.gz MUHHENQRBQNMFI-SQJMNOBHSA-N 0 3 418.541 3.237 40 0 HGABHN CC(C)[N@@H+]1CCc2c(=O)[n-]c([C@H]3CCCN3C(=O)C3(c4ccccc4)CC3)nc2C1 ZINC000019448387 558887419 /nfs/dbraw/zinc/88/74/19/558887419.db2.gz POSBZNIBAKXAJO-HXUWFJFHSA-N 0 3 406.530 3.344 40 0 HGABHN CC(C)[N@H+]1CCc2c(=O)[n-]c([C@H]3CCCN3C(=O)C3(c4ccccc4)CC3)nc2C1 ZINC000019448387 558887421 /nfs/dbraw/zinc/88/74/21/558887421.db2.gz POSBZNIBAKXAJO-HXUWFJFHSA-N 0 3 406.530 3.344 40 0 HGABHN Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNC[C@H]3COc4ccccc4O3)cc12 ZINC000057810311 558890664 /nfs/dbraw/zinc/89/06/64/558890664.db2.gz TUPXMHWKJIJXNO-SFHVURJKSA-N 0 3 420.444 3.091 40 0 HGABHN COc1cccc(CN2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)c1OC ZINC000019567783 558927046 /nfs/dbraw/zinc/92/70/46/558927046.db2.gz CKVUKASEEAUBQC-CYBMUJFWSA-N 0 3 403.433 3.459 40 0 HGABHN Cc1[nH]nc2oc(=O)c(CC(=O)NC[C@H](c3ccccc3)N3CCC(C)CC3)c(C)c12 ZINC000019577214 558933102 /nfs/dbraw/zinc/93/31/02/558933102.db2.gz DQOJKYYWRPOZRL-HXUWFJFHSA-N 0 3 422.529 3.265 40 0 HGABHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCC[C@H](c2ccnc3ncnn32)C1 ZINC000072334865 558935898 /nfs/dbraw/zinc/93/58/98/558935898.db2.gz LPIVCUXDKPMBIB-FQEVSTJZSA-N 0 3 404.518 3.130 40 0 HGABHN NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000072345901 558942486 /nfs/dbraw/zinc/94/24/86/558942486.db2.gz CQLGSAYMSPGHGD-GOSISDBHSA-N 0 3 405.477 3.343 40 0 HGABHN COc1cccc([C@H](CNC(=O)c2cn(C)c(=O)c3ccccc23)N2CCCC2)c1 ZINC000019663830 558954672 /nfs/dbraw/zinc/95/46/72/558954672.db2.gz WQLAYZHKYSFMJM-QFIPXVFZSA-N 0 3 405.498 3.114 40 0 HGABHN CN1CCC(C(=O)N2CCC[C@H]2c2cc(CCOc3ccccc3F)n[nH]2)CC1 ZINC000019703772 558967943 /nfs/dbraw/zinc/96/79/43/558967943.db2.gz SJTMLORITBZBBG-FQEVSTJZSA-N 0 3 400.498 3.176 40 0 HGABHN CCC(=O)N[C@H]1CN(Cc2cn(CC)nc2C)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395726 558974764 /nfs/dbraw/zinc/97/47/64/558974764.db2.gz PELCWEGBVLFDCP-YADHBBJMSA-N 0 3 423.561 3.206 40 0 HGABHN Cc1cn2c(ncc(C(=O)Nc3cc(C)ccc3OCCN3CCCC3)c2=O)s1 ZINC000019717150 558979511 /nfs/dbraw/zinc/97/95/11/558979511.db2.gz WNGKMGUOIIQCSD-UHFFFAOYSA-N 0 3 412.515 3.100 40 0 HGABHN Cc1c(C(=O)Nc2cc(C)ccc2OCCN2CCCC2)sc2[nH]cnc(=O)c12 ZINC000019717812 558980781 /nfs/dbraw/zinc/98/07/81/558980781.db2.gz SMRHVDOBRMQTRA-UHFFFAOYSA-N 0 3 412.515 3.328 40 0 HGABHN Cc1noc(C)c1CN1CCC[C@@]2(CCCN2C(=O)CNC(=O)c2ccccc2)CC1 ZINC000585100470 559024019 /nfs/dbraw/zinc/02/40/19/559024019.db2.gz KZGANLZVVDFTFF-XMMPIXPASA-N 0 3 424.545 3.069 40 0 HGABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(Cc1cccnc1)CCC2 ZINC000096056084 559093861 /nfs/dbraw/zinc/09/38/61/559093861.db2.gz CWXBCFVTFJGVIF-URXFXBBRSA-N 0 3 408.546 3.062 40 0 HGABHN COCCN(C)c1nc(C2CCN(Cc3ccc(OC)cc3)CC2)cc2c1ncn2C ZINC000096099964 559095235 /nfs/dbraw/zinc/09/52/35/559095235.db2.gz XDMOJHHUFJSNFR-UHFFFAOYSA-N 0 3 423.561 3.439 40 0 HGABHN O=S(=O)(c1ccccc1)N1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC000096245396 559105054 /nfs/dbraw/zinc/10/50/54/559105054.db2.gz AMROHVSSEUFAAR-CALCHBBNSA-N 0 3 410.461 3.458 40 0 HGABHN Cc1csc(Nc2cc([C@H]3CCCCN3C(=O)/C=C/CN(C)C)nc(C)n2)n1 ZINC000585291726 559123999 /nfs/dbraw/zinc/12/39/99/559123999.db2.gz FJBWDIOXXVTRJQ-UGAXZCSASA-N 0 3 400.552 3.465 40 0 HGABHN COc1ccc(S(=O)(=O)N2CCCC3=C[C@@H]4C[C@@H](CN5CCCC[C@@H]45)[C@@H]32)cc1 ZINC000169677948 560854167 /nfs/dbraw/zinc/85/41/67/560854167.db2.gz OEHFYGYYYQJAMU-JZZBYWGLSA-N 0 3 402.560 3.279 40 0 HGABHN COc1ccc(O)cc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000002528510 560870688 /nfs/dbraw/zinc/87/06/88/560870688.db2.gz PVUVZUBTCLBJMT-KRWDZBQOSA-N 0 3 422.481 3.444 40 0 endogenous,world HGABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccccc2C(F)(F)F)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382161 568489370 /nfs/dbraw/zinc/48/93/70/568489370.db2.gz IFLWZJHSZZHLBY-HNBVOPMISA-N 0 3 421.463 3.063 40 0 biogenic,in-vitro HGABHN O=C(NCc1nc(-c2cccs2)no1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222600464 568520015 /nfs/dbraw/zinc/52/00/15/568520015.db2.gz IMDVUHVUWVASDA-OAHLLOKOSA-N 0 3 400.479 3.466 40 0 HGABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Br)s1 ZINC000223253750 568542672 /nfs/dbraw/zinc/54/26/72/568542672.db2.gz FWIDIAQASONVME-LSDHHAIUSA-N 0 3 411.394 3.440 40 0 HGABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 ZINC000223279882 568544028 /nfs/dbraw/zinc/54/40/28/568544028.db2.gz WEAFRXZXXLMPLT-NHCUHLMSSA-N 0 3 407.543 3.112 40 0 HGABHN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1C[C@@H]1CCCO1 ZINC000223299410 568544501 /nfs/dbraw/zinc/54/45/01/568544501.db2.gz VAWSLDHIIGMQII-YYWHXJBOSA-N 0 3 405.527 3.419 40 0 HGABHN OCc1ccc(CN2CC[C@@]3(C2)COCc2cnc(NCc4ccccc4)nc23)cc1 ZINC000247945959 568746206 /nfs/dbraw/zinc/74/62/06/568746206.db2.gz QXGYADVRXUGFAP-RUZDIDTESA-N 0 3 416.525 3.255 40 0 HGABHN CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)n1 ZINC000257211368 568779369 /nfs/dbraw/zinc/77/93/69/568779369.db2.gz BYPPROLALPACCR-OAQYLSRUSA-N 0 3 412.534 3.382 40 0 HGABHN CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)CCN(C)Cc2cccnc2)n1 ZINC000257216203 568780774 /nfs/dbraw/zinc/78/07/74/568780774.db2.gz CTNVSXKSCBBIKW-OAQYLSRUSA-N 0 3 418.545 3.410 40 0 HGABHN COc1ccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)CN4CCCC4=O)C3)c2)cc1 ZINC000257247856 568789661 /nfs/dbraw/zinc/78/96/61/568789661.db2.gz JAWJDLMRZWZKDK-SFHVURJKSA-N 0 3 422.529 3.471 40 0 HGABHN COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1ccccc1CN1CCCC1 ZINC000257252024 568790877 /nfs/dbraw/zinc/79/08/77/568790877.db2.gz JTGNSTVDBCQFNW-QHCPKHFHSA-N 0 3 421.541 3.337 40 0 HGABHN CN(C)C(=O)[C@@]1(c2ccccn2)CCCN(Cc2cccc(Oc3ncccn3)c2)C1 ZINC000257270624 568795831 /nfs/dbraw/zinc/79/58/31/568795831.db2.gz MUYXBLNNFDBUIL-DEOSSOPVSA-N 0 3 417.513 3.286 40 0 HGABHN COc1ccc(Nc2cc(C)nc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)cc1 ZINC000257306252 568806373 /nfs/dbraw/zinc/80/63/73/568806373.db2.gz STLVSHDLVFKOOI-INIZCTEOSA-N 0 3 404.536 3.128 40 0 HGABHN Cc1nc2cc([C@@H]3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257324425 568811701 /nfs/dbraw/zinc/81/17/01/568811701.db2.gz WOPXWALAEDJETE-HXUWFJFHSA-N 0 3 420.561 3.188 40 0 HGABHN Cc1cc(C[C@H]2CCC[C@@H]3CN(CC(=O)Nc4ccc5c(c4)OCCO5)C[C@@H]32)ncn1 ZINC000257337993 568815364 /nfs/dbraw/zinc/81/53/64/568815364.db2.gz YVIXQZMLABQRHL-DBXWQHBBSA-N 0 3 422.529 3.086 40 0 HGABHN Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12CN(C[C@H]1C[C@@H]3C=C[C@H]1C3)CCO2 ZINC000306124341 568887274 /nfs/dbraw/zinc/88/72/74/568887274.db2.gz BMYJZPSYNRLJRA-ZPXGPAEQSA-N 0 3 401.576 3.407 40 0 HGABHN COc1cccc(CN2C[C@@H]3c4nnc(C(=O)Nc5ccccc5)n4CC[C@@H]3C2)c1 ZINC000306125156 568887956 /nfs/dbraw/zinc/88/79/56/568887956.db2.gz CICUWIYXMVFZOV-XLIONFOSSA-N 0 3 403.486 3.158 40 0 HGABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccccc3Cl)C[C@H]1C2 ZINC000306131035 568893335 /nfs/dbraw/zinc/89/33/35/568893335.db2.gz JVFRVUVEBYCXLK-IAGOWNOFSA-N 0 3 407.905 3.488 40 0 HGABHN CC(C)n1cnc([C@@H]2CN(Cc3cnn(C(C)C)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306136924 568898597 /nfs/dbraw/zinc/89/85/97/568898597.db2.gz QGVMCKNBZDVLLY-URXFXBBRSA-N 0 3 424.593 3.470 40 0 HGABHN Cn1c(C(=O)NC[C@H]2CC3(CCN(Cc4ccncc4)CC3)O2)cc2ccccc21 ZINC000306137498 568899397 /nfs/dbraw/zinc/89/93/97/568899397.db2.gz QXTYIOCBDKXXJR-HXUWFJFHSA-N 0 3 404.514 3.127 40 0 HGABHN Cc1ccc(CN2CCC3(CC2)COCc2nnc(C(=O)N4CCCC[C@H]4C)n23)cc1 ZINC000306137607 568899546 /nfs/dbraw/zinc/89/95/46/568899546.db2.gz RBEVKVLHWIDONW-LJQANCHMSA-N 0 3 423.561 3.123 40 0 HGABHN CC(C)n1cnc([C@H]2CN(Cc3ccoc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306139500 568901285 /nfs/dbraw/zinc/90/12/85/568901285.db2.gz SYUOOOSTIYWNKI-ZJSXRUAMSA-N 0 3 419.529 3.470 40 0 HGABHN O=C(NC1CCCC1)c1nnc2n1CC1(CC2)CCN(Cc2ccc(F)cc2)CC1 ZINC000306139451 568901457 /nfs/dbraw/zinc/90/14/57/568901457.db2.gz SXOJYZXLZKOTQV-UHFFFAOYSA-N 0 3 411.525 3.318 40 0 HGABHN Cn1nccc1[C@@H]1CN(Cc2nccs2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306145073 568906376 /nfs/dbraw/zinc/90/63/76/568906376.db2.gz ZWZBHDHXEJPJMT-WMZHIEFXSA-N 0 3 421.570 3.285 40 0 HGABHN COCCOc1cc(CN2C[C@@H]3CC[C@](O)(c4ncccc4C)[C@@H]3C2)ccc1OC ZINC000247887778 569315718 /nfs/dbraw/zinc/31/57/18/569315718.db2.gz DZLJSQKFHYZXBA-DCLXLUIPSA-N 0 3 412.530 3.153 40 0 HGABHN O=C(CN1CC[C@@H](c2cc(COc3cccc(F)c3)n[nH]2)C1)NC1CCCCC1 ZINC000019738949 569348694 /nfs/dbraw/zinc/34/86/94/569348694.db2.gz WUFGHLVCPNVGDZ-MRXNPFEDSA-N 0 3 400.498 3.366 40 0 HGABHN COc1ccc2c(c1)onc2C1CCN(CCc2c(C)nc3n(c2=O)CCCC3)CC1 ZINC000065739908 569393320 /nfs/dbraw/zinc/39/33/20/569393320.db2.gz DGIQBNGKAIWZIU-UHFFFAOYSA-N 0 3 422.529 3.460 40 0 in-vitro HGABHN CCN(CC)[C@@H](CNC(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1)c1cccc(OC)c1 ZINC000032753483 520835103 /nfs/dbraw/zinc/83/51/03/520835103.db2.gz JBXPZGMKSLMVHU-IZJVWCBNSA-N 0 3 423.557 3.412 40 0 HGABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 ZINC000044880059 523169688 /nfs/dbraw/zinc/16/96/88/523169688.db2.gz RLTUPLOBBKCDDE-GOSISDBHSA-N 0 3 407.580 3.055 40 0 HGABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(Cl)cc1 ZINC000020636717 558396205 /nfs/dbraw/zinc/39/62/05/558396205.db2.gz BTTVJVNEYUYKJL-RTBURBONSA-N 0 3 411.889 3.105 40 0 HGABHN O=C(NCCCN1CCc2ccccc2C1)c1cccc(I)c1 ZINC000029838704 558721983 /nfs/dbraw/zinc/72/19/83/558721983.db2.gz WVSIRIAOLDXYDX-UHFFFAOYSA-N 0 3 420.294 3.469 40 0 HGABHN Cc1cc(-c2cnc(N3CCN(C)CC3)nc2C2CCN(Cc3ccco3)CC2)on1 ZINC000019123249 558844008 /nfs/dbraw/zinc/84/40/08/558844008.db2.gz RSZOYMQOAQOFLM-UHFFFAOYSA-N 0 3 422.533 3.164 40 0 HGABHN O=C(c1cccc(F)c1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCCC2)CC3)C1 ZINC000019293508 558865328 /nfs/dbraw/zinc/86/53/28/558865328.db2.gz KDUVALPNFJAUQW-QGZVFWFLSA-N 0 3 424.520 3.230 40 0 HGABHN O=C(c1cccc(F)c1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCCC2)CC3)C1 ZINC000019293508 558865331 /nfs/dbraw/zinc/86/53/31/558865331.db2.gz KDUVALPNFJAUQW-QGZVFWFLSA-N 0 3 424.520 3.230 40 0 HGABHN O=C(C[C@@H]1NC(=O)N(C2CCCCC2)C1=O)Nc1ccccc1CN1CCCCC1 ZINC000019349072 558874899 /nfs/dbraw/zinc/87/48/99/558874899.db2.gz RQGCNWJNZUOCTJ-FQEVSTJZSA-N 0 3 412.534 3.254 40 0 HGABHN CC[C@@H](C)C(=O)N1CCc2cc([C@H](O)CN3CCCN(c4ccccn4)CC3)ccc21 ZINC000019499896 558898057 /nfs/dbraw/zinc/89/80/57/558898057.db2.gz ZJHLLYIYFSJPRX-AUSIDOKSSA-N 0 3 422.573 3.263 40 0 HGABHN CCOCc1cc(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)ccc1OC ZINC000019531107 558911626 /nfs/dbraw/zinc/91/16/26/558911626.db2.gz ADYSSLTVPLTNMX-IBGZPJMESA-N 0 3 420.513 3.367 40 0 HGABHN CCOCc1cc(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)ccc1OC ZINC000019531107 558911629 /nfs/dbraw/zinc/91/16/29/558911629.db2.gz ADYSSLTVPLTNMX-IBGZPJMESA-N 0 3 420.513 3.367 40 0 HGABHN CCOCc1cc(C[N@@H+]2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)ccc1OC ZINC000019531105 558911674 /nfs/dbraw/zinc/91/16/74/558911674.db2.gz ADYSSLTVPLTNMX-LJQANCHMSA-N 0 3 420.513 3.367 40 0 HGABHN CCOCc1cc(C[N@H+]2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)ccc1OC ZINC000019531105 558911676 /nfs/dbraw/zinc/91/16/76/558911676.db2.gz ADYSSLTVPLTNMX-LJQANCHMSA-N 0 3 420.513 3.367 40 0 HGABHN COc1cccc(CN2CCC[C@H](c3cc(C(=O)NCc4ccncc4)on3)C2)c1 ZINC000019565147 558925213 /nfs/dbraw/zinc/92/52/13/558925213.db2.gz KSDYUHRDWJSARU-IBGZPJMESA-N 0 3 406.486 3.388 40 0 HGABHN COc1ccc(CN2CCc3nc(-c4ccncc4)nc(NCCN(C)C)c3C2)cc1 ZINC000019582963 558937623 /nfs/dbraw/zinc/93/76/23/558937623.db2.gz QZHPYRHJRPXNAQ-UHFFFAOYSA-N 0 3 418.545 3.079 40 0 HGABHN COc1cc(CN2CCC3(CC2)Nc2ccccc2C2=NCCCN23)cc2c1OCO2 ZINC000072342673 558940585 /nfs/dbraw/zinc/94/05/85/558940585.db2.gz RWJSBBSMWPEOIS-UHFFFAOYSA-N 0 3 420.513 3.294 40 0 HGABHN O=C(CN1CCC(Cc2ccccc2)CC1)N1CCCN(Cc2ccccn2)CC1 ZINC000019660656 558951792 /nfs/dbraw/zinc/95/17/92/558951792.db2.gz AHSHCXKPPRABFY-UHFFFAOYSA-N 0 3 406.574 3.071 40 0 HGABHN Cc1nc(C2CCN(C(=O)[C@H]3CCN3C3CCCCC3)CC2)nc2c1CCCN2C ZINC000019706685 558968929 /nfs/dbraw/zinc/96/89/29/558968929.db2.gz VLKZHFSOKSILDI-OAQYLSRUSA-N 0 3 411.594 3.280 40 0 HGABHN CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(OC)cc4)C[C@H]32)c(OCC)n1 ZINC000072392644 558972393 /nfs/dbraw/zinc/97/23/93/558972393.db2.gz NUETZNRVWHJNHC-XTQVGHSUSA-N 0 3 413.518 3.012 40 0 HGABHN Cc1ccc(NC(=O)c2ccc3nnc([C@H]4CCN(Cc5cccnc5)C4)n3c2)cn1 ZINC000096156208 559100343 /nfs/dbraw/zinc/10/03/43/559100343.db2.gz FGVQNDOLAGJXMY-SFHVURJKSA-N 0 3 413.485 3.070 40 0 HGABHN COCCOc1cc(CN(C)C[C@@H](O)COc2ccc(C)cc2C)ccc1OC ZINC000585262495 559111041 /nfs/dbraw/zinc/11/10/41/559111041.db2.gz FTDJUZXEDTZFLE-HXUWFJFHSA-N 0 3 403.519 3.209 40 0 HGABHN O[C@]1(COc2ccccc2)CCCN(Cc2cccc(OCCn3cccn3)c2)C1 ZINC000585271520 559115859 /nfs/dbraw/zinc/11/58/59/559115859.db2.gz AIMJEYQEHINWBN-XMMPIXPASA-N 0 3 407.514 3.368 40 0 HGABHN CCOCCOc1ccc(CN(C)C[C@@H](O)COc2ccccc2OCC)cc1 ZINC000585269791 559116098 /nfs/dbraw/zinc/11/60/98/559116098.db2.gz JMLQAHPVHMBPIH-HXUWFJFHSA-N 0 3 403.519 3.372 40 0 HGABHN CC(C)N(Cc1ccccc1)C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC000585286104 559121805 /nfs/dbraw/zinc/12/18/05/559121805.db2.gz VTIAUCUAIJPLMU-GMAHTHKFSA-N 0 3 416.949 3.189 40 0 HGABHN Cc1cc(C)nc(Nc2cc([C@@H]3CCCCN3C(=O)/C=C/CN(C)C)nc(C)n2)n1 ZINC000585292507 559125268 /nfs/dbraw/zinc/12/52/68/559125268.db2.gz NRRUBQUHPSYFTE-RQMBKDMJSA-N 0 3 409.538 3.107 40 0 HGABHN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)/C=C/CN(C)C)n2)n1 ZINC000585292971 559125481 /nfs/dbraw/zinc/12/54/81/559125481.db2.gz VBGJHRAKXXTUQE-LNENJAERSA-N 0 3 409.538 3.107 40 0 HGABHN NCC(=O)NC[C@]1(c2ccccc2)CC[C@@H]2[C@@H](O)C[C@@H](c3ccccc3)O[C@H]2CC1 ZINC000257283744 559285412 /nfs/dbraw/zinc/28/54/12/559285412.db2.gz OZSASTYYKKCHML-FCRIMTMASA-N 0 3 408.542 3.081 40 0 HGABHN Cn1c(CN2CCSCC2)cc(=O)c(O)c1CN1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000095479253 560558293 /nfs/dbraw/zinc/55/82/93/560558293.db2.gz PCEHZJKJJZXXTI-VGOFRKELSA-N 0 3 405.608 3.040 40 0 HGABHN CCOc1c(Br)cc(Br)cc1CNCCN1CCOCC1 ZINC000022074767 568473971 /nfs/dbraw/zinc/47/39/71/568473971.db2.gz UTLQQIQNYNPOFN-UHFFFAOYSA-N 0 3 422.161 3.032 40 0 HGABHN COc1ccc(-c2noc(CNC(=O)C3CCN(Cc4ccc(F)cc4)CC3)n2)cc1 ZINC000219425915 568491738 /nfs/dbraw/zinc/49/17/38/568491738.db2.gz HRLBXLGOPAVQBF-UHFFFAOYSA-N 0 3 424.476 3.413 40 0 HGABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 ZINC000223253900 568542704 /nfs/dbraw/zinc/54/27/04/568542704.db2.gz VCMLZQUYVZIYFS-GJZGRUSLSA-N 0 3 411.394 3.440 40 0 HGABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(CC)cc1 ZINC000242473213 568598742 /nfs/dbraw/zinc/59/87/42/568598742.db2.gz FCGSADDHOIRCQG-KCZVDYSFSA-N 0 3 401.528 3.005 40 0 HGABHN CN(C)c1ncc2c(n1)[C@]1(CCN(Cc3cccc(-c4ccc(F)cc4)n3)C1)COC2 ZINC000248088105 568747357 /nfs/dbraw/zinc/74/73/57/568747357.db2.gz DWDGASWCAMRNEP-DEOSSOPVSA-N 0 3 419.504 3.418 40 0 HGABHN CC(C)CCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257201634 568776604 /nfs/dbraw/zinc/77/66/04/568776604.db2.gz AIJUBGJONNNQGA-LSQMVHIFSA-N 0 3 415.622 3.028 40 0 HGABHN Cc1ccc(Nc2cc(C)nc([C@@H]3CCN(S(=O)(=O)c4cn(C)cn4)C3)c2)cc1 ZINC000257217588 568781244 /nfs/dbraw/zinc/78/12/44/568781244.db2.gz CZPBOBLGWGEHIW-QGZVFWFLSA-N 0 3 411.531 3.354 40 0 HGABHN COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)[C@H](N)C(C)C)CC[C@@H]3O[C@H]21 ZINC000257233326 568785685 /nfs/dbraw/zinc/78/56/85/568785685.db2.gz GOTSJEWLVKZHOB-SQRAORDBSA-N 0 3 402.535 3.144 40 0 HGABHN Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(OCCN(C)C)cc2)n1 ZINC000257251745 568790725 /nfs/dbraw/zinc/79/07/25/568790725.db2.gz JSBCNQOAAPTHGD-QFIPXVFZSA-N 0 3 419.529 3.493 40 0 HGABHN CN(C)C(=O)[C@]1(c2ccccn2)CCCN(Cc2cccc(Oc3ncccn3)c2)C1 ZINC000257270625 568795811 /nfs/dbraw/zinc/79/58/11/568795811.db2.gz MUYXBLNNFDBUIL-XMMPIXPASA-N 0 3 417.513 3.286 40 0 HGABHN O=C(NCCn1nc([C@@H]2CCCN(Cc3ccccc3F)C2)c2cccnc21)C1CC1 ZINC000257296283 568803364 /nfs/dbraw/zinc/80/33/64/568803364.db2.gz RCBGQMXKHKOPFI-LJQANCHMSA-N 0 3 421.520 3.476 40 0 HGABHN CCc1ccc(CN2CCC(c3nnc4ccc(-c5ccnn5C)nn43)CC2)cc1 ZINC000306124924 568887655 /nfs/dbraw/zinc/88/76/55/568887655.db2.gz CCHDVYMRTNARKV-UHFFFAOYSA-N 0 3 401.518 3.467 40 0 HGABHN COCCN1CC[C@]2(CN(Cc3ccccc3F)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306125424 568888106 /nfs/dbraw/zinc/88/81/06/568888106.db2.gz CQOCNVNBAKUORS-AUSIDOKSSA-N 0 3 414.525 3.068 40 0 HGABHN COc1ccc(C(C)C)cc1CN1CCO[C@]2(CCCC[C@H]2NCC(=O)N(C)C)C1 ZINC000306126998 568889735 /nfs/dbraw/zinc/88/97/35/568889735.db2.gz FLGPNJHDHGKYNY-ISKFKSNPSA-N 0 3 417.594 3.010 40 0 HGABHN COc1ncccc1CN1C[C@H](c2cn(C(C)C)cn2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306136338 568898136 /nfs/dbraw/zinc/89/81/36/568898136.db2.gz PQIVDAGKHXRGNV-YKSBVNFPSA-N 0 3 423.561 3.096 40 0 HGABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306136572 568898396 /nfs/dbraw/zinc/89/83/96/568898396.db2.gz PXHLWRKVAIHQRS-IAGOWNOFSA-N 0 3 407.905 3.488 40 0 HGABHN Cc1ccc(CNC(=O)[C@@H]2CN(C)CC3(CCN(Cc4ccsc4)CC3)O2)cc1 ZINC000306140267 568902103 /nfs/dbraw/zinc/90/21/03/568902103.db2.gz UOOSANJXGHRVCO-NRFANRHFSA-N 0 3 413.587 3.038 40 0 HGABHN COc1ccc(-c2nnc3n2C2(CCN(Cc4scnc4C)CC2)CN(C)C3)cc1 ZINC000306142558 568904257 /nfs/dbraw/zinc/90/42/57/568904257.db2.gz XDHLQZFZKLSSQN-UHFFFAOYSA-N 0 3 424.574 3.155 40 0 HGABHN COc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306144165 568905641 /nfs/dbraw/zinc/90/56/41/568905641.db2.gz YXXOJMQINNXWBE-XMMPIXPASA-N 0 3 419.481 3.462 40 0 HGABHN Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218608859 568939676 /nfs/dbraw/zinc/93/96/76/568939676.db2.gz TZNSCRNWRYDTDD-IPJJNNNSSA-N 0 3 416.543 3.157 40 0 HGABHN CN(C)CCNc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2ccccn2)n1 ZINC000328962448 568969852 /nfs/dbraw/zinc/96/98/52/568969852.db2.gz BHVLXHXVZKEBHG-UHFFFAOYSA-N 0 3 403.317 3.406 40 0 HGABHN Cc1cc(=O)oc2cc(NC(=O)[C@H](N)CCCCNC(=O)OC(C)(C)C)ccc12 ZINC000137438132 569004688 /nfs/dbraw/zinc/00/46/88/569004688.db2.gz OAWGDHIIFDVFOW-MRXNPFEDSA-N 0 3 403.479 3.062 40 0 HGABHN COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCN(Cc3cn(C)nc3C)C2)cc1 ZINC000019694777 569346706 /nfs/dbraw/zinc/34/67/06/569346706.db2.gz LFOORQZQAGFKQA-SFHVURJKSA-N 0 3 406.534 3.250 40 0 HGABHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC[C@@H](c2ncc(C(N)=O)c(C)n2)C1 ZINC000019763438 569348911 /nfs/dbraw/zinc/34/89/11/569348911.db2.gz YCHQEGKQKWTAAF-QGZVFWFLSA-N 0 3 422.508 3.205 40 0 HGABHN CN1C[C@H](NCc2ccc(C(F)(F)F)cc2)CCC[C@@H](C(=O)NC2CC2)CC1=O ZINC000096113405 291235806 /nfs/dbraw/zinc/23/58/06/291235806.db2.gz MNUMNUAAZMKHLO-CRAIPNDOSA-N 0 3 411.468 3.091 40 0 biogenic,in-vitro HGABHN CC(=O)N1CCCc2cc([C@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000012291203 132358060 /nfs/dbraw/zinc/35/80/60/132358060.db2.gz FHVGMZKYAJZXLQ-HSZRJFAPSA-N 0 3 412.505 3.142 40 0 HGABHN Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000044857119 524438519 /nfs/dbraw/zinc/43/85/19/524438519.db2.gz XGFPOQYJKMCLND-SFHVURJKSA-N 0 3 414.571 3.488 40 0 HGABHN Cc1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000040372457 525087631 /nfs/dbraw/zinc/08/76/31/525087631.db2.gz AYXACZFYUCLBKI-YLJYHZDGSA-N 0 3 404.470 3.440 40 0 HGABHN O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000009887216 557850645 /nfs/dbraw/zinc/85/06/45/557850645.db2.gz UBWSOIHNJYBUGI-UHFFFAOYSA-N 0 3 407.558 3.435 40 0 HGABHN Cc1ccc2c(cc(C(=O)N3CCC([C@H]4CCCCN4CC(=O)N(C)C)CC3)n2C)c1 ZINC000019746369 558266519 /nfs/dbraw/zinc/26/65/19/558266519.db2.gz NBUZXVZQBOOZRM-JOCHJYFZSA-N 0 3 424.589 3.282 40 0 HGABHN Cc1cccnc1CNC(=O)c1ccc([C@@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019752752 558271981 /nfs/dbraw/zinc/27/19/81/558271981.db2.gz JUKNPXLTVGMJJA-HXUWFJFHSA-N 0 3 401.514 3.490 40 0 HGABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1cc(OC)ccc1OC ZINC000019819067 558289100 /nfs/dbraw/zinc/28/91/00/558289100.db2.gz NOJZBJBNKYXWEK-KRWDZBQOSA-N 0 3 424.453 3.142 40 0 HGABHN O=C1C[C@@H](NCCN2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000022118189 558463735 /nfs/dbraw/zinc/46/37/35/558463735.db2.gz QCPIQZBPHOPNFA-JOCHJYFZSA-N 0 3 409.505 3.002 40 0 HGABHN O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(CN2CCCC2)cc1 ZINC000013677483 558564927 /nfs/dbraw/zinc/56/49/27/558564927.db2.gz ULCHXMCRFDTCNZ-FQEVSTJZSA-N 0 3 407.514 3.444 40 0 HGABHN Cc1c(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000039768073 558686275 /nfs/dbraw/zinc/68/62/75/558686275.db2.gz YZQHNLQOFZHBGQ-UHFFFAOYSA-N 0 3 422.504 3.474 40 0 HGABHN Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(Cc3cn(C)nc3C)CC2)on1 ZINC000019123269 558844015 /nfs/dbraw/zinc/84/40/15/558844015.db2.gz PSLNUDSTXRWRCS-UHFFFAOYSA-N 0 3 421.549 3.462 40 0 HGABHN Cc1ccc2c(c1)C(=O)N(CC(=O)N1[C@H](C)CCC[C@H]1C)CC1(CCN(C)CC1)O2 ZINC000019218467 558851141 /nfs/dbraw/zinc/85/11/41/558851141.db2.gz SHTBAZSEAGKXML-RTBURBONSA-N 0 3 413.562 3.084 40 0 HGABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)c1 ZINC000013659278 558851413 /nfs/dbraw/zinc/85/14/13/558851413.db2.gz BQIMYQISQAQYDN-FSSWDIPSSA-N 0 3 416.433 3.452 40 0 HGABHN COc1ccc([C@@H]2C[N@H+](Cc3ccccc3OC)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285515 558859904 /nfs/dbraw/zinc/85/99/04/558859904.db2.gz CFOIMFFLEVENDJ-LEWJYISDSA-N 0 3 405.498 3.479 40 0 HGABHN COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3OC)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285515 558859906 /nfs/dbraw/zinc/85/99/06/558859906.db2.gz CFOIMFFLEVENDJ-LEWJYISDSA-N 0 3 405.498 3.479 40 0 HGABHN O=C1CCOC[C@]2(CN(Cc3ccccc3OC3CCCC3)C[C@H]2c2cccnc2)N1 ZINC000019349467 558875205 /nfs/dbraw/zinc/87/52/05/558875205.db2.gz IPGJPGJVAPPNSZ-DHLKQENFSA-N 0 3 421.541 3.278 40 0 HGABHN CC(C)[N@@H+]1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)C3(c4ccccc4)CC3)nc2C1 ZINC000019448385 558887389 /nfs/dbraw/zinc/88/73/89/558887389.db2.gz POSBZNIBAKXAJO-FQEVSTJZSA-N 0 3 406.530 3.344 40 0 HGABHN CC(C)[N@H+]1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)C3(c4ccccc4)CC3)nc2C1 ZINC000019448385 558887392 /nfs/dbraw/zinc/88/73/92/558887392.db2.gz POSBZNIBAKXAJO-FQEVSTJZSA-N 0 3 406.530 3.344 40 0 HGABHN CCCn1nc(C)c(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c1C ZINC000019525843 558907293 /nfs/dbraw/zinc/90/72/93/558907293.db2.gz CEADHEHUARNUGH-LJQANCHMSA-N 0 3 412.582 3.363 40 0 HGABHN CCCn1nc(C)c(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c1C ZINC000019525843 558907295 /nfs/dbraw/zinc/90/72/95/558907295.db2.gz CEADHEHUARNUGH-LJQANCHMSA-N 0 3 412.582 3.363 40 0 HGABHN COc1cccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1OC ZINC000019567757 558927070 /nfs/dbraw/zinc/92/70/70/558927070.db2.gz LRNLCNDCTQWXCD-VNQPRFMTSA-N 0 3 407.465 3.198 40 0 HGABHN Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000019578562 558934198 /nfs/dbraw/zinc/93/41/98/558934198.db2.gz IKHSEYOSOSBTBI-JOCHJYFZSA-N 0 3 420.561 3.263 40 0 HGABHN CN(C)CCN(C)c1nc(-c2ccncc2)nc2c1CN(Cc1ccccc1F)CC2 ZINC000019582494 558937581 /nfs/dbraw/zinc/93/75/81/558937581.db2.gz KQVYFBOWFBGXIC-UHFFFAOYSA-N 0 3 420.536 3.234 40 0 HGABHN CN(C)CCN(C)c1nc(-c2ccccn2)nc2c1CCN(Cc1ccc(F)cc1)C2 ZINC000072337491 558937922 /nfs/dbraw/zinc/93/79/22/558937922.db2.gz ITYIIMSULLMBHN-UHFFFAOYSA-N 0 3 420.536 3.234 40 0 HGABHN CN(C)c1nc2ccccc2cc1CN1C[C@@H](c2cccnc2)[C@]2(C1)CCCC(=O)N2 ZINC000019584083 558938316 /nfs/dbraw/zinc/93/83/16/558938316.db2.gz AIIVRNPKQPRPAR-SQJMNOBHSA-N 0 3 415.541 3.334 40 0 HGABHN COc1ccc([C@H]2CN(CC3(O)CCN(c4cccc(F)c4)CC3)CCN2C)cc1 ZINC000585183494 559070279 /nfs/dbraw/zinc/07/02/79/559070279.db2.gz GXNUALNKFVYZAO-HSZRJFAPSA-N 0 3 413.537 3.154 40 0 HGABHN CN1CCN(C(=O)C[C@@H]2CC3(CCN(Cc4ccoc4)CC3)c3ccccc32)CC1 ZINC000096052925 559092753 /nfs/dbraw/zinc/09/27/53/559092753.db2.gz UUIFXWNEIAITLX-OAQYLSRUSA-N 0 3 407.558 3.465 40 0 HGABHN CN(C)CCNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 ZINC000096146531 559097939 /nfs/dbraw/zinc/09/79/39/559097939.db2.gz WCURYKXOZURISR-UHFFFAOYSA-N 0 3 402.502 3.077 40 0 HGABHN CN(Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CCN(c2ccccn2)C1 ZINC000585271363 559116767 /nfs/dbraw/zinc/11/67/67/559116767.db2.gz XFXSDAAPODCDQU-DEOSSOPVSA-N 0 3 404.514 3.129 40 0 HGABHN O[C@@]1(CN2CCOC[C@@](O)(COc3ccccc3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585288062 559123127 /nfs/dbraw/zinc/12/31/27/559123127.db2.gz VGERBERSWOBOID-PZUNEJSGSA-N 0 3 411.542 3.218 40 0 HGABHN Cc1cnc(Nc2cc([C@H]3CCCCN3C(=O)/C=C/CN(C)C)nc(C)n2)s1 ZINC000585292514 559125270 /nfs/dbraw/zinc/12/52/70/559125270.db2.gz NUKGLWYIAGPDIM-UGAXZCSASA-N 0 3 400.552 3.465 40 0 HGABHN CN(Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000257200445 559282360 /nfs/dbraw/zinc/28/23/60/559282360.db2.gz ADJHPNMTZBMAQS-DEOSSOPVSA-N 0 3 422.504 3.268 40 0 HGABHN Cc1cccc2cc(CN(CCN(C)C)C(=S)NCc3ccccc3)c(=O)[nH]c12 ZINC000004133473 560600562 /nfs/dbraw/zinc/60/05/62/560600562.db2.gz NSIFGJXRRISVBU-UHFFFAOYSA-N 0 3 408.571 3.275 40 0 HGABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000010544215 560770384 /nfs/dbraw/zinc/77/03/84/560770384.db2.gz VVYDIVOSYNQNDI-AWEZNQCLSA-N 0 3 419.385 3.391 40 0 HGABHN CC[NH+](CC)Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000216482000 568465697 /nfs/dbraw/zinc/46/56/97/568465697.db2.gz YHGRKLDZVWIQFN-UHFFFAOYSA-N 0 3 401.532 3.456 40 0 HGABHN CN1CCC(Oc2ccc(NC(=O)c3cccc(CN4CCOCC4)c3)cc2)CC1 ZINC000219249734 568488519 /nfs/dbraw/zinc/48/85/19/568488519.db2.gz JIVFVHOVZNNHMD-UHFFFAOYSA-N 0 3 409.530 3.244 40 0 HGABHN COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1 ZINC000223279246 568543870 /nfs/dbraw/zinc/54/38/70/568543870.db2.gz JDWPKDMXEUHNTN-FGZHOGPDSA-N 0 3 421.570 3.415 40 0 HGABHN COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 ZINC000223279534 568543943 /nfs/dbraw/zinc/54/39/43/568543943.db2.gz PXHMPDDDKLBOJN-YADHBBJMSA-N 0 3 421.570 3.415 40 0 HGABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 ZINC000223279767 568543999 /nfs/dbraw/zinc/54/39/99/568543999.db2.gz WEAFRXZXXLMPLT-RTWAWAEBSA-N 0 3 407.543 3.112 40 0 HGABHN COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000224850517 568600135 /nfs/dbraw/zinc/60/01/35/568600135.db2.gz XIGVJMGHDXLLQY-UHFFFAOYSA-N 0 3 416.543 3.246 40 0 HGABHN CNCC(=O)NC[C@]1(c2ccccc2)CC[C@@H]2[C@@H](O)C[C@@H](c3ccccc3)O[C@H]2CC1 ZINC000257258250 568792476 /nfs/dbraw/zinc/79/24/76/568792476.db2.gz KSZBFRJGSQSEFK-VEGWMBEDSA-N 0 3 422.569 3.341 40 0 HGABHN COC[C@@H](C)NC(=O)CN1CCC(c2cc(Nc3cccc(C)n3)cc(C)n2)CC1 ZINC000257259797 568792901 /nfs/dbraw/zinc/79/29/01/568792901.db2.gz LABLMRIPAUYSOJ-GOSISDBHSA-N 0 3 411.550 3.168 40 0 HGABHN Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2cccc(OCCN(C)C)c2)n1 ZINC000257278904 568798242 /nfs/dbraw/zinc/79/82/42/568798242.db2.gz OEDGQJPQOMBTJQ-QFIPXVFZSA-N 0 3 419.529 3.493 40 0 HGABHN c1cn2nc(C[C@H]3COCCN(Cc4ccccc4N4CCCCC4)C3)ccc2n1 ZINC000257298875 568804232 /nfs/dbraw/zinc/80/42/32/568804232.db2.gz RNPOFLFCOLWVJO-HXUWFJFHSA-N 0 3 405.546 3.411 40 0 HGABHN Cc1cc(Nc2cnccn2)cc(C2CCN(CC(=O)N3CCC(C)CC3)CC2)n1 ZINC000257320588 568810647 /nfs/dbraw/zinc/81/06/47/568810647.db2.gz VXLSECWUBBZRKM-UHFFFAOYSA-N 0 3 408.550 3.362 40 0 HGABHN Cc1ccccc1CN1CCC(c2nnc([C@@H]3CCCCN3S(C)(=O)=O)o2)CC1 ZINC000257333135 568814033 /nfs/dbraw/zinc/81/40/33/568814033.db2.gz YAHFWKCPGAXVBZ-IBGZPJMESA-N 0 3 418.563 3.244 40 0 HGABHN O=C(c1ccc(CN2CCCC2)cc1)N1CCC[C@H]1c1cncc(-n2ccnc2)n1 ZINC000257334717 568814512 /nfs/dbraw/zinc/81/45/12/568814512.db2.gz YHBWGMNYKHRQKS-NRFANRHFSA-N 0 3 402.502 3.235 40 0 HGABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218533574 568880756 /nfs/dbraw/zinc/88/07/56/568880756.db2.gz SRMQAWYJNWDINO-WSTZPKSXSA-N 0 3 407.919 3.096 40 0 HGABHN CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccsc2)CC1 ZINC000306123526 568886598 /nfs/dbraw/zinc/88/65/98/568886598.db2.gz APJUFGWUTVUEPQ-UHFFFAOYSA-N 0 3 401.580 3.344 40 0 HGABHN Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12CN(C[C@@H]1C[C@@H]3C=C[C@H]1C3)CCO2 ZINC000306124338 568887270 /nfs/dbraw/zinc/88/72/70/568887270.db2.gz BMYJZPSYNRLJRA-GPUAKUCWSA-N 0 3 401.576 3.407 40 0 HGABHN COCCN1CC[C@]2(CN(Cc3ccccc3F)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306125426 568888150 /nfs/dbraw/zinc/88/81/50/568888150.db2.gz CQOCNVNBAKUORS-WMZHIEFXSA-N 0 3 414.525 3.068 40 0 HGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccccc3)C[C@]23OCCN(CC2CCC2)C3=O)c1 ZINC000306126029 568888605 /nfs/dbraw/zinc/88/86/05/568888605.db2.gz DKBHTDLNPCYXGE-DHLKQENFSA-N 0 3 422.573 3.461 40 0 HGABHN CN(C)c1cccc(C(=O)N2CCO[C@]3(CCCC[C@H]3NCc3cccnc3)C2)c1 ZINC000306128747 568891382 /nfs/dbraw/zinc/89/13/82/568891382.db2.gz HJMUWFBUXRTCGW-ISKFKSNPSA-N 0 3 408.546 3.091 40 0 HGABHN COc1ncccc1CN1C[C@@H](c2cn(C(C)C)cn2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306136337 568898225 /nfs/dbraw/zinc/89/82/25/568898225.db2.gz PQIVDAGKHXRGNV-RDPSFJRHSA-N 0 3 423.561 3.096 40 0 HGABHN CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccc(F)cc2)CC1 ZINC000306141848 568903274 /nfs/dbraw/zinc/90/32/74/568903274.db2.gz WHZLDKKLLXKXSB-UHFFFAOYSA-N 0 3 413.541 3.422 40 0 HGABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218048383 568924827 /nfs/dbraw/zinc/92/48/27/568924827.db2.gz FDKSSCHDQAEKOZ-WOIUINJBSA-N 0 3 416.543 3.157 40 0 HGABHN Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218609042 568939713 /nfs/dbraw/zinc/93/97/13/568939713.db2.gz TZNSCRNWRYDTDD-JQVVWYNYSA-N 0 3 416.543 3.157 40 0 HGABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 ZINC000242592201 568967869 /nfs/dbraw/zinc/96/78/69/568967869.db2.gz OMBKGVQRHQKMII-QWFCFKBJSA-N 0 3 407.919 3.096 40 0 HGABHN Cc1nc2cc(Nc3cc(-c4cccnc4)nc(NCCN(C)C)n3)ccc2s1 ZINC000328957004 568969615 /nfs/dbraw/zinc/96/96/15/568969615.db2.gz AINVWIHSOVHCHK-UHFFFAOYSA-N 0 3 405.531 3.018 40 0 HGABHN CN(C)CCNc1nc(Nc2cccc(Cl)c2Cl)cc(-c2ccncc2)n1 ZINC000328979232 568971075 /nfs/dbraw/zinc/97/10/75/568971075.db2.gz GFKMYCOYEXEHEK-UHFFFAOYSA-N 0 3 403.317 3.406 40 0 HGABHN CN(C)c1ncccc1CN1CCC(c2nc(-c3ccccc3)c(C(N)=O)[nH]2)CC1 ZINC000019697002 569346818 /nfs/dbraw/zinc/34/68/18/569346818.db2.gz AKELMKWZCWWZLW-UHFFFAOYSA-N 0 3 404.518 3.016 40 0 HGABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242463755 569422310 /nfs/dbraw/zinc/42/23/10/569422310.db2.gz DJLLEEVARYHFGM-QKNQBKEWSA-N 0 3 421.946 3.350 40 0 HGABHN Cc1ccc2c(cccc2N2CCN(CCc3cccc(N4CCNC4=O)c3)CC2)n1 ZINC000034451922 571313575 /nfs/dbraw/zinc/31/35/75/571313575.db2.gz ANGUXJDGJCHGOG-UHFFFAOYSA-N 0 3 415.541 3.438 40 0 in-man HGABHN CC(C)C[C@@H]1N[C@H](C(=O)NC2CC2)Cc2cn(Cc3nccn3C)c3cccc1c23 ZINC000049171757 291232625 /nfs/dbraw/zinc/23/26/25/291232625.db2.gz UHIFOSGMSKLMSJ-PMACEKPBSA-N 0 3 405.546 3.303 40 0 biogenic,in-vitro HGABHN O=C(NC1CCCCC1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 ZINC000008298891 291242999 /nfs/dbraw/zinc/24/29/99/291242999.db2.gz URHMOSIDFDPDST-AAIMPIBUSA-N 0 3 423.561 3.016 40 0 biogenic,in-vitro HGABHN OC1(c2csc(CN3CCc4ccccc4C3)n2)CCN(C2CCOCC2)CC1 ZINC000225474039 291245930 /nfs/dbraw/zinc/24/59/30/291245930.db2.gz DVCTZCDGMGWBQA-UHFFFAOYSA-N 0 3 413.587 3.164 40 0 biogenic,in-vitro HGABHN CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)NCc3ccccc3)cc2c1 ZINC000004231294 557530701 /nfs/dbraw/zinc/53/07/01/557530701.db2.gz CARWCYDHOFZNEE-UHFFFAOYSA-N 0 3 422.529 3.200 40 0 HGABHN COCCN1CCCC[C@@H](C2CCN(Cc3ccc(-n4cccn4)cc3)CC2)C1=O ZINC000019744136 558264697 /nfs/dbraw/zinc/26/46/97/558264697.db2.gz OBTRAXGHBBUBLL-QHCPKHFHSA-N 0 3 410.562 3.359 40 0 HGABHN Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000019756290 558274439 /nfs/dbraw/zinc/27/44/39/558274439.db2.gz ZGVUFBAWJKBHSE-UHFFFAOYSA-N 0 3 421.520 3.339 40 0 HGABHN CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000020048389 558328063 /nfs/dbraw/zinc/32/80/63/558328063.db2.gz OGEGGCUQFAVZSY-OAHLLOKOSA-N 0 3 401.960 3.096 40 0 HGABHN CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000020048389 558328067 /nfs/dbraw/zinc/32/80/67/558328067.db2.gz OGEGGCUQFAVZSY-OAHLLOKOSA-N 0 3 401.960 3.096 40 0 HGABHN CCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc(OC)cc2O3)cc1 ZINC000012329551 558384172 /nfs/dbraw/zinc/38/41/72/558384172.db2.gz KZNDCZVLIGJBAR-FGZHOGPDSA-N 0 3 413.514 3.478 40 0 HGABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(CC)cc1 ZINC000020636813 558396213 /nfs/dbraw/zinc/39/62/13/558396213.db2.gz DZNASELIPNGVDN-LEWJYISDSA-N 0 3 405.498 3.014 40 0 HGABHN Cc1nn2cnnc2c(C)c1CCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000036752676 558802963 /nfs/dbraw/zinc/80/29/63/558802963.db2.gz DKGBXUQEHJDOMY-NRFANRHFSA-N 0 3 406.534 3.017 40 0 HGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000100919583 558805560 /nfs/dbraw/zinc/80/55/60/558805560.db2.gz CSAGVHLTZREPBO-BDTNDASRSA-N 0 3 416.433 3.452 40 0 HGABHN Cc1sc2nc(C)n(CC(=O)NC[C@H](c3ccc(C)cc3)N(C)C)c(=O)c2c1C ZINC000019136469 558846231 /nfs/dbraw/zinc/84/62/31/558846231.db2.gz VHILXDWNACVAAY-GOSISDBHSA-N 0 3 412.559 3.111 40 0 HGABHN Cc1ccc2nc(C)cc(OCC(=O)N(C[C@H]3CCCO3)C3CCN(C)CC3)c2c1 ZINC000019220598 558851807 /nfs/dbraw/zinc/85/18/07/558851807.db2.gz SRJDQXKVHSKGNV-HXUWFJFHSA-N 0 3 411.546 3.332 40 0 HGABHN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCN1CCCCC1 ZINC000068605696 558863968 /nfs/dbraw/zinc/86/39/68/558863968.db2.gz VYUQFFMPUHWSKT-HXUWFJFHSA-N 0 3 414.550 3.206 40 0 HGABHN O=C(c1cc([C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1)N1CCC(O)CC1 ZINC000019347015 558873660 /nfs/dbraw/zinc/87/36/60/558873660.db2.gz BDYHQQRBDOEVHN-LJQANCHMSA-N 0 3 420.513 3.199 40 0 HGABHN O=C(N[C@H]1CCCOC1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372525 558879821 /nfs/dbraw/zinc/87/98/21/558879821.db2.gz JKWUOYGZXWWJRX-BHDDXSALSA-N 0 3 410.489 3.052 40 0 HGABHN CC(C)NC(=O)[C@@H]1CN(Cc2ccsc2)C[C@H]1c1ccnc(N2CCCCC2)n1 ZINC000019449999 558888514 /nfs/dbraw/zinc/88/85/14/558888514.db2.gz ILUROGDZDAWWBS-RTBURBONSA-N 0 3 413.591 3.269 40 0 HGABHN CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N3CCCC[C@@H]3CN(C)C)cc2N1 ZINC000019451154 558889305 /nfs/dbraw/zinc/88/93/05/558889305.db2.gz ZRVHWHBVJHWOSU-IJEWVQPXSA-N 0 3 401.477 3.383 40 0 HGABHN C[C@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCC(C)CC2)CC3)C1 ZINC000019495959 558894751 /nfs/dbraw/zinc/89/47/51/558894751.db2.gz LRJJRJGCDCTXNE-ASGJETJBSA-N 0 3 412.578 3.481 40 0 HGABHN C[C@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCC(C)CC2)CC3)C1 ZINC000019495959 558894753 /nfs/dbraw/zinc/89/47/53/558894753.db2.gz LRJJRJGCDCTXNE-ASGJETJBSA-N 0 3 412.578 3.481 40 0 HGABHN CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NC[C@H](C)N3CCC(C)CC3)c2N1 ZINC000019520885 558902195 /nfs/dbraw/zinc/90/21/95/558902195.db2.gz WCGCQEJTTKUFCJ-DZKIICNBSA-N 0 3 401.477 3.431 40 0 HGABHN COc1cc(CN2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)ccc1O ZINC000019555306 558918268 /nfs/dbraw/zinc/91/82/68/558918268.db2.gz LOFGFMLZOREFMP-UHFFFAOYSA-N 0 3 412.534 3.024 40 0 HGABHN COCCOc1ccc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 ZINC000019593696 558944777 /nfs/dbraw/zinc/94/47/77/558944777.db2.gz RFZODOBJNQEZTI-YTQUADARSA-N 0 3 421.492 3.206 40 0 HGABHN Cc1nn(C)cc1CN1CC[C@@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352453 558948723 /nfs/dbraw/zinc/94/87/23/558948723.db2.gz OKXKARQQTPGSHX-QGZVFWFLSA-N 0 3 424.570 3.405 40 0 HGABHN CN1CC[C@H](c2c3ccccc3sc2C(=O)NC2CCN(C(=O)C3CC3)CC2)C1 ZINC000072352562 558949000 /nfs/dbraw/zinc/94/90/00/558949000.db2.gz BOMXRRLDJZLMOJ-INIZCTEOSA-N 0 3 411.571 3.451 40 0 HGABHN O=c1c(CN2CCC(Oc3ccccc3F)CC2)c(N2CCCC2)nc2ccccn21 ZINC000019659045 558950614 /nfs/dbraw/zinc/95/06/14/558950614.db2.gz ZUAGIDYUJRRRHE-UHFFFAOYSA-N 0 3 422.504 3.477 40 0 HGABHN O=S(=O)(c1ccc(F)cc1)N1CCN(C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355122 558952374 /nfs/dbraw/zinc/95/23/74/558952374.db2.gz PKCDOZCPJLZKLF-GOSISDBHSA-N 0 3 417.550 3.329 40 0 HGABHN COc1ccccc1CN(C(=O)c1ccc(-n2cccn2)nc1)C1CCN(C)CC1 ZINC000019663845 558954592 /nfs/dbraw/zinc/95/45/92/558954592.db2.gz CTBSMUBJCUFKAF-UHFFFAOYSA-N 0 3 405.502 3.013 40 0 HGABHN O=C(NC[C@H]1CCCOC1)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000072373038 558960911 /nfs/dbraw/zinc/96/09/11/558960911.db2.gz MIWZJOWBCINJRO-PUHATCMVSA-N 0 3 406.526 3.160 40 0 HGABHN COc1ccc(CN2CCC(c3nc(N(C)C)ncc3-c3cncnc3)CC2)cc1 ZINC000019695283 558963935 /nfs/dbraw/zinc/96/39/35/558963935.db2.gz VMLNVNGNHKCPFP-UHFFFAOYSA-N 0 3 404.518 3.388 40 0 HGABHN CC(C)(C)[C@H]1CC[C@](O)(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585282228 559119941 /nfs/dbraw/zinc/11/99/41/559119941.db2.gz CCJFJGCNWQSEGF-NMNUPHIUSA-N 0 3 409.542 3.235 40 0 HGABHN CCOc1cc(CNCCSc2nnnn2C)ccc1OCc1cccs1 ZINC000007523774 560751449 /nfs/dbraw/zinc/75/14/49/560751449.db2.gz WIERJRIGHVDHGL-UHFFFAOYSA-N 0 3 405.549 3.131 40 0 HGABHN Cc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000020140654 560881374 /nfs/dbraw/zinc/88/13/74/560881374.db2.gz DRYWWSNSECVKDS-DHIUTWEWSA-N 0 3 424.593 3.200 40 0 HGABHN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000223714564 568557074 /nfs/dbraw/zinc/55/70/74/568557074.db2.gz QJFGOURJGYBVGF-LEWJYISDSA-N 0 3 421.526 3.193 40 0 HGABHN COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC3CC[NH+](C)CC3)cc2)ccc1C ZINC000223824974 568559994 /nfs/dbraw/zinc/55/99/94/568559994.db2.gz VOYPCQDWTHLAEO-UHFFFAOYSA-N 0 3 418.515 3.055 40 0 HGABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC ZINC000225696450 568665225 /nfs/dbraw/zinc/66/52/25/568665225.db2.gz SZPFTXNSSPBNIJ-OAHLLOKOSA-N 0 3 411.593 3.016 40 0 HGABHN Cc1nc(C)n(CC(=O)N2CC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)n1 ZINC000257206781 568778135 /nfs/dbraw/zinc/77/81/35/568778135.db2.gz BEWITKCXUHVWPS-QGZVFWFLSA-N 0 3 408.481 3.497 40 0 HGABHN CCOC(=O)[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000225661642 568778283 /nfs/dbraw/zinc/77/82/83/568778283.db2.gz FYDSZLRCGNAQST-CMKODMSKSA-N 0 3 407.919 3.096 40 0 HGABHN CNC(=O)[C@]1(c2ccccn2)CCCN(Cc2cccc(OCc3ccccn3)c2)C1 ZINC000257262252 568793524 /nfs/dbraw/zinc/79/35/24/568793524.db2.gz LKSNRYRHGLQCIV-RUZDIDTESA-N 0 3 416.525 3.335 40 0 HGABHN CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H]1c1ccnc(-c2ccccn2)n1 ZINC000257265103 568794244 /nfs/dbraw/zinc/79/42/44/568794244.db2.gz LXIDCWQQVTUXNJ-OAQYLSRUSA-N 0 3 417.513 3.456 40 0 HGABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(S(=O)(=O)N3CCCC3)C2)n1 ZINC000257291333 568801840 /nfs/dbraw/zinc/80/18/40/568801840.db2.gz QGNCKFLGCJYBCZ-MRXNPFEDSA-N 0 3 404.511 3.403 40 0 HGABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(S(=O)(=O)N3CCCC3)C2)n1 ZINC000257291332 568801845 /nfs/dbraw/zinc/80/18/45/568801845.db2.gz QGNCKFLGCJYBCZ-INIZCTEOSA-N 0 3 404.511 3.403 40 0 HGABHN COc1ccccc1[C@@H]1CN(C(=O)c2ccccc2CN2CCCC2)CCN1C(C)=O ZINC000257303589 568805376 /nfs/dbraw/zinc/80/53/76/568805376.db2.gz SHWBNDMSDDCDQX-QHCPKHFHSA-N 0 3 421.541 3.337 40 0 HGABHN Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12CN(C[C@@H]1C[C@@H]3C=C[C@H]1C3)CCO2 ZINC000306124339 568887206 /nfs/dbraw/zinc/88/72/06/568887206.db2.gz BMYJZPSYNRLJRA-IHZGOTPNSA-N 0 3 401.576 3.407 40 0 HGABHN CC(C)n1cnc([C@H]2CN(Cc3ccco3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306133215 568895357 /nfs/dbraw/zinc/89/53/57/568895357.db2.gz MFKDTSHKJNOXDP-QPPBQGQZSA-N 0 3 419.529 3.470 40 0 HGABHN COc1ccc(-c2nnc3n2C2(CCN(Cc4ccc(C)o4)CC2)CN(C)C3)cc1 ZINC000306135071 568897016 /nfs/dbraw/zinc/89/70/16/568897016.db2.gz OHAATVLFHBGIPM-UHFFFAOYSA-N 0 3 407.518 3.292 40 0 HGABHN Cc1ccc(CN2CCOC[C@]3(CC[C@H](CNC(=O)c4ccc(C)cc4)O3)C2)cc1 ZINC000306135788 568897817 /nfs/dbraw/zinc/89/78/17/568897817.db2.gz PAXKMWPDJXWEKB-NOZRDPDXSA-N 0 3 408.542 3.483 40 0 HGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccoc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306139499 568901320 /nfs/dbraw/zinc/90/13/20/568901320.db2.gz SYUOOOSTIYWNKI-XUZZJYLKSA-N 0 3 419.529 3.470 40 0 HGABHN Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218608949 568939763 /nfs/dbraw/zinc/93/97/63/568939763.db2.gz TZNSCRNWRYDTDD-KNKQGSTJSA-N 0 3 416.543 3.157 40 0 HGABHN CCOC[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242750276 568970680 /nfs/dbraw/zinc/97/06/80/568970680.db2.gz ZJNJMNNUEPNQEG-XUVXKRRUSA-N 0 3 409.935 3.270 40 0 HGABHN CN(C)CCNc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2ccncc2)n1 ZINC000328984063 568971280 /nfs/dbraw/zinc/97/12/80/568971280.db2.gz HKHFUEWASHEUOF-UHFFFAOYSA-N 0 3 403.317 3.406 40 0 HGABHN CN(C)CCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2cccnc2)n1 ZINC000329008147 568972400 /nfs/dbraw/zinc/97/24/00/568972400.db2.gz LQGAYVZRSVAJJS-UHFFFAOYSA-N 0 3 403.317 3.406 40 0 HGABHN CN(C)CCNc1nc(Nc2c(Cl)cccc2Cl)cc(-c2ccncc2)n1 ZINC000329022585 568973014 /nfs/dbraw/zinc/97/30/14/568973014.db2.gz ONHVEOSDXHMFJU-UHFFFAOYSA-N 0 3 403.317 3.406 40 0 HGABHN COc1ccccc1N1CCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000009063573 569342467 /nfs/dbraw/zinc/34/24/67/569342467.db2.gz KSFLHGUPGACEJF-UHFFFAOYSA-N 0 3 411.521 3.395 40 0 HGABHN CCC(=O)N1CCc2cc([C@H](O)CN3CCC[C@@](O)(c4ccccc4OC)C3)ccc21 ZINC000012181134 569344681 /nfs/dbraw/zinc/34/46/81/569344681.db2.gz BYBQVVZADSKVRJ-RDGATRHJSA-N 0 3 424.541 3.011 40 0 HGABHN CCn1cc(CN2CC[C@@H](c3nc(N(C)C)ncc3-c3cccc(OC)c3)C2)cn1 ZINC000019694994 569346679 /nfs/dbraw/zinc/34/66/79/569346679.db2.gz ZWIWUZRRMGVFGO-LJQANCHMSA-N 0 3 406.534 3.424 40 0 HGABHN COc1ccccc1CNC(=O)c1cc([C@H]2CCN(Cc3ccccc3F)C2)n[nH]1 ZINC000019707787 569347980 /nfs/dbraw/zinc/34/79/80/569347980.db2.gz ZHZNUVBGTBDAEK-SFHVURJKSA-N 0 3 408.477 3.477 40 0 HGABHN Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCCCNC(=O)OC(C)(C)C)ccc12 ZINC000096295590 569359178 /nfs/dbraw/zinc/35/91/78/569359178.db2.gz OAWGDHIIFDVFOW-INIZCTEOSA-N 0 3 403.479 3.062 40 0 HGABHN CC(C)c1cc(N2CCc3cc(Br)ccc3C2)nc(NCCN(C)C)n1 ZINC000329070008 571306468 /nfs/dbraw/zinc/30/64/68/571306468.db2.gz ZCNIMHASHVDMLC-UHFFFAOYSA-N 0 3 418.383 3.899 40 0 HGABHN O=C(NCc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 ZINC000008298165 291243608 /nfs/dbraw/zinc/24/36/08/291243608.db2.gz SBVDSSSFZSGRBG-JRFVFWCSSA-N 0 3 421.589 3.428 40 0 biogenic,in-vitro HGABHN CC(=O)Nc1ccc(N2C(=O)c3cccc4c(N5CCNCC5)ccc(c43)C2=O)cc1 ZINC000004713022 132285600 /nfs/dbraw/zinc/28/56/00/132285600.db2.gz HGCOKCBOFHPBDS-UHFFFAOYSA-N 0 3 414.465 3.008 40 0 HGABHN COc1ccc(CNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c(OC)c1OC ZINC000044882818 524064171 /nfs/dbraw/zinc/06/41/71/524064171.db2.gz FGYRJSKBHPDIRE-SFHVURJKSA-N 0 3 416.493 3.380 40 0 HGABHN Cc1ccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000040372453 525090789 /nfs/dbraw/zinc/09/07/89/525090789.db2.gz AYXACZFYUCLBKI-PXNSSMCTSA-N 0 3 404.470 3.440 40 0 HGABHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccccc1F ZINC000019819164 558289277 /nfs/dbraw/zinc/28/92/77/558289277.db2.gz IBFIGENJHPBGRI-OAHLLOKOSA-N 0 3 400.381 3.403 40 0 HGABHN CC(=O)N1c2ccc([C@H](O)CN3CCC(O)(c4ccccc4C)CC3)cc2C[C@H]1C ZINC000012146839 558338081 /nfs/dbraw/zinc/33/80/81/558338081.db2.gz KLVMYAZBIBJBJQ-HOYKHHGWSA-N 0 3 408.542 3.310 40 0 HGABHN Cc1cc(NCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2n1 ZINC000012362480 558387391 /nfs/dbraw/zinc/38/73/91/558387391.db2.gz FIMXZIHHIJVIJS-UHFFFAOYSA-N 0 3 424.526 3.060 40 0 HGABHN CSc1ccccc1CN1[C@@H]2CC[C@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 ZINC000012366357 558388354 /nfs/dbraw/zinc/38/83/54/558388354.db2.gz NHLWWUSPZUMPQD-LIMIJEPZSA-N 0 3 411.571 3.401 40 0 HGABHN Cc1c(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000038850166 558818613 /nfs/dbraw/zinc/81/86/13/558818613.db2.gz MVXDUKLRAWYYFN-IBGZPJMESA-N 0 3 422.504 3.474 40 0 HGABHN CCN1CCN(CC2=CCCOC2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527700 558909004 /nfs/dbraw/zinc/90/90/04/558909004.db2.gz MJBTXDRJRJPGOM-HSZRJFAPSA-N 0 3 405.542 3.418 40 0 HGABHN CCN1CCN(CC2=CCCOC2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527701 558909020 /nfs/dbraw/zinc/90/90/20/558909020.db2.gz MJBTXDRJRJPGOM-QHCPKHFHSA-N 0 3 405.542 3.418 40 0 HGABHN COc1ccc(CN(C(=O)c2cc(-c3cnn(C)c3C)on2)C2CCN(C)CC2)cc1 ZINC000019554018 558917056 /nfs/dbraw/zinc/91/70/56/558917056.db2.gz ULVXQXWCKSWBET-UHFFFAOYSA-N 0 3 423.517 3.129 40 0 HGABHN COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2NC(=O)c2ccncc2)cc1OC ZINC000019561460 558922236 /nfs/dbraw/zinc/92/22/36/558922236.db2.gz LYDWPWMNWPZXQX-YADHBBJMSA-N 0 3 417.509 3.497 40 0 HGABHN COc1cccc(CN2CCCC[C@H]3CN(C(=O)CCn4nc(C)cc4C)C[C@H]32)c1 ZINC000072330671 558935126 /nfs/dbraw/zinc/93/51/26/558935126.db2.gz UAVLEEZNEJETOJ-JTHBVZDNSA-N 0 3 410.562 3.412 40 0 HGABHN COc1ccc(CN(C(=O)CCn2ncc3c2CCCC3)C2CCN(C)CC2)cc1 ZINC000019588140 558940139 /nfs/dbraw/zinc/94/01/39/558940139.db2.gz DVSINSAASCOLIV-UHFFFAOYSA-N 0 3 410.562 3.284 40 0 HGABHN CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN(Cc4cnn(C)c4C)C3)c2)cn1 ZINC000072353656 558950676 /nfs/dbraw/zinc/95/06/76/558950676.db2.gz CDCGJMZTTBZIKR-IBGZPJMESA-N 0 3 418.545 3.233 40 0 HGABHN O=C(CN1CCC[C@@H]1c1ccc2c(n[nH]c2NCc2ccccc2)n1)N1CCCC1 ZINC000072374496 558962089 /nfs/dbraw/zinc/96/20/89/558962089.db2.gz NGLOGTKKMYASEQ-HXUWFJFHSA-N 0 3 404.518 3.329 40 0 HGABHN Cc1cn2c(ncc(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)c2=O)s1 ZINC000019717091 558979419 /nfs/dbraw/zinc/97/94/19/558979419.db2.gz FFXAGTVBIOMQMU-UHFFFAOYSA-N 0 3 412.515 3.181 40 0 HGABHN Cc1noc(C)c1COc1ccc(CN2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1 ZINC000257269318 558997027 /nfs/dbraw/zinc/99/70/27/558997027.db2.gz MPLPNSQZVZNPND-SFTDATJTSA-N 0 3 421.488 3.147 40 0 HGABHN Cn1cc(C(=O)N2CCC3(CCCN(Cc4ccccn4)C3)CC2)c(C(F)F)n1 ZINC000585099798 559024420 /nfs/dbraw/zinc/02/44/20/559024420.db2.gz BEDPQNIWFBLPMQ-UHFFFAOYSA-N 0 3 403.477 3.271 40 0 HGABHN CCCCN(C)C(=O)c1ncn2c1nccc2C1CCN(Cc2ccncc2)CC1 ZINC000096155745 559099860 /nfs/dbraw/zinc/09/98/60/559099860.db2.gz HADJJFLXNDILKM-UHFFFAOYSA-N 0 3 406.534 3.376 40 0 HGABHN CN(Cc1ccccc1)[C@H]1COC2(C1)CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000096221006 559102006 /nfs/dbraw/zinc/10/20/06/559102006.db2.gz BXNCVVLFISVFAA-HXUWFJFHSA-N 0 3 418.534 3.270 40 0 HGABHN COCCOc1cc(CN(C)C[C@H](O)COc2ccc(C)cc2C)ccc1OC ZINC000585262493 559111020 /nfs/dbraw/zinc/11/10/20/559111020.db2.gz FTDJUZXEDTZFLE-FQEVSTJZSA-N 0 3 403.519 3.209 40 0 HGABHN Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CNCCO2)ccc1Cl ZINC000585271334 559116598 /nfs/dbraw/zinc/11/65/98/559116598.db2.gz FCHHHDQBYKAWPO-QFIPXVFZSA-N 0 3 402.922 3.435 40 0 HGABHN Cc1[nH]nc2c1C(c1cnn(C)c1)c1c3nc(-c4ccccc4Cl)nn3cnc1O2 ZINC000017091671 559122729 /nfs/dbraw/zinc/12/27/29/559122729.db2.gz ASMQHNSLUTZJIY-OAHLLOKOSA-N 0 3 418.848 3.496 40 0 HGABHN COC[C@H]1CN(CCc2ccccc2)CCN(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000072354495 559185713 /nfs/dbraw/zinc/18/57/13/559185713.db2.gz WWIZTLHWCNBEPG-NRFANRHFSA-N 0 3 405.542 3.360 40 0 HGABHN CCCc1onc(C)c1C(=O)N1CC2(C1)CC[C@H](CN(C)Cc1cccnc1)CO2 ZINC000575402529 560546718 /nfs/dbraw/zinc/54/67/18/560546718.db2.gz CACGUGMMQKQAQO-LJQANCHMSA-N 0 3 412.534 3.084 40 0 HGABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Br)s1 ZINC000223253810 568542712 /nfs/dbraw/zinc/54/27/12/568542712.db2.gz FWIDIAQASONVME-HUUCEWRRSA-N 0 3 411.394 3.440 40 0 HGABHN COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 ZINC000223279481 568543980 /nfs/dbraw/zinc/54/39/80/568543980.db2.gz PXHMPDDDKLBOJN-FGZHOGPDSA-N 0 3 421.570 3.415 40 0 HGABHN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1C[C@@H]1CCCO1 ZINC000223299464 568544492 /nfs/dbraw/zinc/54/44/92/568544492.db2.gz VAWSLDHIIGMQII-WMQCIHAUSA-N 0 3 405.527 3.419 40 0 HGABHN Cc1ccc(NC(=O)c2c(NC(=O)CN3CCNCC3)sc3c2CCCC3)cc1 ZINC000020470346 568610883 /nfs/dbraw/zinc/61/08/83/568610883.db2.gz XDCDSFJHXZJHPL-UHFFFAOYSA-N 0 3 412.559 3.031 40 0 HGABHN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000225902062 568684850 /nfs/dbraw/zinc/68/48/50/568684850.db2.gz JOYKHAQFMSMNLT-LJQANCHMSA-N 0 3 415.559 3.096 40 0 HGABHN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1C[C@H]1CCCO1 ZINC000260925526 568744468 /nfs/dbraw/zinc/74/44/68/568744468.db2.gz VAWSLDHIIGMQII-DUXKGJEZSA-N 0 3 405.527 3.419 40 0 HGABHN CCOC(=O)[C@@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000225661612 568778349 /nfs/dbraw/zinc/77/83/49/568778349.db2.gz FYDSZLRCGNAQST-BJLQDIEVSA-N 0 3 407.919 3.096 40 0 HGABHN O=C(CN1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1cnccn1)Nc1ccc2c(c1)OCCCO2 ZINC000257237875 568786987 /nfs/dbraw/zinc/78/69/87/568786987.db2.gz HIPNQOGKFXBSNX-DBXWQHBBSA-N 0 3 422.529 3.167 40 0 HGABHN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257262278 568793454 /nfs/dbraw/zinc/79/34/54/568793454.db2.gz LKUNWAMUQXQQDK-NRFANRHFSA-N 0 3 418.488 3.165 40 0 HGABHN CN(C(=O)C1CCN(C)CC1)[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O ZINC000257290330 568801638 /nfs/dbraw/zinc/80/16/38/568801638.db2.gz QCLMHPRLBNDHPF-ANRPBIDPSA-N 0 3 414.590 3.422 40 0 HGABHN Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(S(=O)(=O)N3CCCC3)C2)n1 ZINC000257326279 568812167 /nfs/dbraw/zinc/81/21/67/568812167.db2.gz WWOXYNLUAXOTAM-MRXNPFEDSA-N 0 3 404.511 3.403 40 0 HGABHN CC(=O)N1CC[C@@H]2[C@H](C1)CCCCN2C(=O)c1ccc(OCCN2CCCC2)cc1 ZINC000257334058 568814450 /nfs/dbraw/zinc/81/44/50/568814450.db2.gz YEIMKJAEFSTJFT-JTHBVZDNSA-N 0 3 413.562 3.024 40 0 HGABHN COc1ccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)CN4CCOCC4)C3)c2)cc1 ZINC000257342718 568816854 /nfs/dbraw/zinc/81/68/54/568816854.db2.gz ZPWAHEUTFKQUJT-IBGZPJMESA-N 0 3 424.545 3.180 40 0 HGABHN COc1ccc(NC(=O)CN2CC[C@H](c3ccc4c(n[nH]c4NC(C)C)n3)C2)cc1 ZINC000257344930 568817351 /nfs/dbraw/zinc/81/73/51/568817351.db2.gz ZZHFKSKXDPCCDW-HNNXBMFYSA-N 0 3 408.506 3.215 40 0 HGABHN CC(C)CN1CC[C@@]2(C1)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1O2 ZINC000306125353 568888276 /nfs/dbraw/zinc/88/82/76/568888276.db2.gz CNHWYZPEIGWNMZ-JOCHJYFZSA-N 0 3 400.544 3.370 40 0 HGABHN Cc1cc(C)cc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(CC2CC2)C3=O)c1 ZINC000306127648 568890609 /nfs/dbraw/zinc/89/06/09/568890609.db2.gz GEBFPOKBYIOBEZ-NOZRDPDXSA-N 0 3 405.542 3.305 40 0 HGABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccccc3Cl)C[C@@H]1C2 ZINC000306131034 568893423 /nfs/dbraw/zinc/89/34/23/568893423.db2.gz JVFRVUVEBYCXLK-DLBZAZTESA-N 0 3 407.905 3.488 40 0 HGABHN Cc1ccc(CN2CCOC[C@@]3(CC[C@@H](CNC(=O)c4ccc(C)cc4)O3)C2)cc1 ZINC000306135789 568897705 /nfs/dbraw/zinc/89/77/05/568897705.db2.gz PAXKMWPDJXWEKB-UKILVPOCSA-N 0 3 408.542 3.483 40 0 HGABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306136574 568898401 /nfs/dbraw/zinc/89/84/01/568898401.db2.gz PXHLWRKVAIHQRS-SJORKVTESA-N 0 3 407.905 3.488 40 0 HGABHN Cc1ccc(CN2CCC3(CC2)CN(C(C)C)[C@H](C(=O)N(C)C)c2cncn23)cc1C ZINC000306141694 568903335 /nfs/dbraw/zinc/90/33/35/568903335.db2.gz WEDYNSPETDNYLO-QHCPKHFHSA-N 0 3 423.605 3.345 40 0 HGABHN COc1ccc(NC(=O)c2nnc3n2C2(CC3)CCN(Cc3ccccc3)CC2)cc1 ZINC000306142361 568903974 /nfs/dbraw/zinc/90/39/74/568903974.db2.gz WXAJDCCUUHZKMH-UHFFFAOYSA-N 0 3 417.513 3.477 40 0 HGABHN CN(C)CCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccccn2)n1 ZINC000329001355 568971984 /nfs/dbraw/zinc/97/19/84/568971984.db2.gz KDSGSANVNWASCY-UHFFFAOYSA-N 0 3 403.317 3.406 40 0 HGABHN COc1ccc(Nc2cc(C(F)(F)F)nc(NCCN(C)C)n2)cc1C(F)(F)F ZINC000329063399 568975240 /nfs/dbraw/zinc/97/52/40/568975240.db2.gz XDWXWCLZRLPBLY-UHFFFAOYSA-N 0 3 423.361 3.084 40 0 HGABHN C[C@@H]([C@@H](O)c1ccccc1)N(C)C[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@@]3(C)[C@@H](O)[C@H]12 ZINC000002126541 569024442 /nfs/dbraw/zinc/02/44/42/569024442.db2.gz SYTZVGPWDLPTPO-IIMJTQLYSA-N 0 3 413.558 3.325 40 0 HGABHN COCCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000009062849 569342222 /nfs/dbraw/zinc/34/22/22/569342222.db2.gz HUWNVZKGJGZPCW-UHFFFAOYSA-N 0 3 409.530 3.304 40 0 HGABHN COc1ccccc1[C@]1(O)CCCN(C[C@@H](O)c2ccc3c(c2)CCCN3C(C)=O)C1 ZINC000012291290 569344744 /nfs/dbraw/zinc/34/47/44/569344744.db2.gz LFWQSCDXWXCRGA-NOZRDPDXSA-N 0 3 424.541 3.011 40 0 HGABHN Cn1cnc(S(=O)(=O)N2[C@H](c3ccccc3)C[C@@]3(C)[C@@H]2CCCCCN3C)c1 ZINC000019713533 569348390 /nfs/dbraw/zinc/34/83/90/569348390.db2.gz CMPHFAFNMBHMEL-ZJOUEHCJSA-N 0 3 402.564 3.189 40 0 HGABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(CC)cc1 ZINC000242463756 569422346 /nfs/dbraw/zinc/42/23/46/569422346.db2.gz DJLLEEVARYHFGM-SFHLNBCPSA-N 0 3 421.946 3.350 40 0 HGABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN(C(=O)CCc3ccc(Cl)cc3)C2)n1 ZINC000019709621 569428929 /nfs/dbraw/zinc/42/89/29/569428929.db2.gz DYNPEJWDHCLYES-QGZVFWFLSA-N 0 3 415.969 3.254 40 0 HGABHN CN(C)C(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000008299139 291235125 /nfs/dbraw/zinc/23/51/25/291235125.db2.gz RHEGSCLUDRJLLO-ZLNRFVROSA-N 0 3 415.541 3.411 40 0 biogenic,in-vitro HGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccnc4)[C@H]3C2=O)cc1 ZINC000004140188 557519250 /nfs/dbraw/zinc/51/92/50/557519250.db2.gz CAKLGVMOEACNNO-HKBOAZHASA-N 0 3 401.422 3.141 40 0 HGABHN COc1cccc(CNCCCSc2nnnn2C)c1OCc1ccccc1F ZINC000007541470 557746362 /nfs/dbraw/zinc/74/63/62/557746362.db2.gz UYDMEYIKTSPVBK-UHFFFAOYSA-N 0 3 417.510 3.209 40 0 HGABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(OC)cc1OC ZINC000019819075 558289120 /nfs/dbraw/zinc/28/91/20/558289120.db2.gz YZACVFKFEBHNPP-KRWDZBQOSA-N 0 3 424.453 3.142 40 0 HGABHN Cn1cc([C@@H](O)CN2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc21 ZINC000012134903 558333455 /nfs/dbraw/zinc/33/34/55/558333455.db2.gz LDQZDEGBXIXXDK-QHCPKHFHSA-N 0 3 404.514 3.089 40 0 HGABHN CN1CCN(CCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)CC1 ZINC000020106211 558333474 /nfs/dbraw/zinc/33/34/74/558333474.db2.gz VGZQRYHTJAEOKY-UHFFFAOYSA-N 0 3 413.587 3.225 40 0 HGABHN COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCCN(Cc3ccncc3C)C1)O2 ZINC000012135354 558333785 /nfs/dbraw/zinc/33/37/85/558333785.db2.gz NWGAKYWNWYAROQ-RDPSFJRHSA-N 0 3 409.530 3.420 40 0 HGABHN CC(=O)N1c2ccc([C@@H](O)CN3CCC(O)(c4ccccc4C)CC3)cc2C[C@@H]1C ZINC000012146838 558338116 /nfs/dbraw/zinc/33/81/16/558338116.db2.gz KLVMYAZBIBJBJQ-UUOWRZLLSA-N 0 3 408.542 3.310 40 0 HGABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000012329331 558384022 /nfs/dbraw/zinc/38/40/22/558384022.db2.gz ZUOGIJIWJSTVCM-WOJBJXKFSA-N 0 3 411.498 3.150 40 0 HGABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(CC)cc1 ZINC000020636818 558396124 /nfs/dbraw/zinc/39/61/24/558396124.db2.gz DZNASELIPNGVDN-SFTDATJTSA-N 0 3 405.498 3.014 40 0 HGABHN Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC[NH+]3CCCCC3)c2C)cc1 ZINC000013679942 558566056 /nfs/dbraw/zinc/56/60/56/558566056.db2.gz UDKRHVUOMJNCHI-UHFFFAOYSA-N 0 3 415.559 3.320 40 0 HGABHN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@H](C)N3CCCCC3)C1)N2 ZINC000019127287 558844740 /nfs/dbraw/zinc/84/47/40/558844740.db2.gz CRIDRIBBLXSDEO-XLAORIBOSA-N 0 3 409.525 3.295 40 0 HGABHN Cc1ccc2c(c1)C(=O)N(CC(=O)NC1CCCCCC1)CC1(CCN(C)CC1)O2 ZINC000019218573 558851232 /nfs/dbraw/zinc/85/12/32/558851232.db2.gz GATLVVAZLRJZCU-UHFFFAOYSA-N 0 3 413.562 3.133 40 0 HGABHN Cc1nc2c(C)cccn2c1CN1C[C@@H](c2cccnc2)[C@]2(C1)CCCCC(=O)N2 ZINC000019237593 558856817 /nfs/dbraw/zinc/85/68/17/558856817.db2.gz DROGAZVFAAUKBV-GBXCKJPGSA-N 0 3 403.530 3.375 40 0 HGABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@H]3CC[N@@H+](C4CCCCC4)C3)nc2C1 ZINC000019347678 558873978 /nfs/dbraw/zinc/87/39/78/558873978.db2.gz QVCFFIRGGUVORS-INIZCTEOSA-N 0 3 424.520 3.230 40 0 HGABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@H]3CC[N@H+](C4CCCCC4)C3)nc2C1 ZINC000019347678 558873980 /nfs/dbraw/zinc/87/39/80/558873980.db2.gz QVCFFIRGGUVORS-INIZCTEOSA-N 0 3 424.520 3.230 40 0 HGABHN O=C1CCCN1c1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000019374912 558881438 /nfs/dbraw/zinc/88/14/38/558881438.db2.gz USBVQOHNEULINU-FCHUYYIVSA-N 0 3 422.525 3.198 40 0 HGABHN COc1cccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)c1 ZINC000019448347 558887373 /nfs/dbraw/zinc/88/73/73/558887373.db2.gz RJQRWQPPNFNZQI-NRFANRHFSA-N 0 3 424.545 3.254 40 0 HGABHN COc1cccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)c1 ZINC000019448347 558887377 /nfs/dbraw/zinc/88/73/77/558887377.db2.gz RJQRWQPPNFNZQI-NRFANRHFSA-N 0 3 424.545 3.254 40 0 HGABHN COc1ccc(CN2CCC(c3n[nH]cc3C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000019497328 558896127 /nfs/dbraw/zinc/89/61/27/558896127.db2.gz XNPVNHNHCLHSGT-CALCHBBNSA-N 0 3 412.534 3.047 40 0 HGABHN CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)NC[C@@H](C)N3CCC(C)CC3)cc2N1 ZINC000019520591 558901693 /nfs/dbraw/zinc/90/16/93/558901693.db2.gz NXZPXSZEBFGIOW-IIAWOOMASA-N 0 3 401.477 3.431 40 0 HGABHN CCN1CCN(CC2=CCCOC2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527750 558909033 /nfs/dbraw/zinc/90/90/33/558909033.db2.gz XPTXSBFDJQLNKG-HSZRJFAPSA-N 0 3 405.542 3.418 40 0 HGABHN CN(C)CCN(C)c1nc(-c2ccccn2)nc2c1CN(Cc1ccccc1)CC2 ZINC000072339918 558938703 /nfs/dbraw/zinc/93/87/03/558938703.db2.gz MBBWKGYMOOZNEA-UHFFFAOYSA-N 0 3 402.546 3.095 40 0 HGABHN CN1CCC(N(CCc2ccccc2)C(=O)c2cnc(N3CCCCC3)nc2)CC1 ZINC000019588133 558940110 /nfs/dbraw/zinc/94/01/10/558940110.db2.gz XOSLYHNTTIITGA-UHFFFAOYSA-N 0 3 407.562 3.246 40 0 HGABHN CC1CCN(CCOc2ccccc2NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000019654898 558948220 /nfs/dbraw/zinc/94/82/20/558948220.db2.gz AELWKMPGHSUQNU-SFHVURJKSA-N 0 3 401.551 3.383 40 0 HGABHN COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000019695096 558963514 /nfs/dbraw/zinc/96/35/14/558963514.db2.gz BHUOIJDYRVCIMN-UHFFFAOYSA-N 0 3 423.561 3.020 40 0 HGABHN CCc1cc(CNC(=O)c2ccc([C@@H]3CCCN(Cc4ccccn4)C3)nc2)on1 ZINC000019706001 558968504 /nfs/dbraw/zinc/96/85/04/558968504.db2.gz XQOGOCDQLRGPJE-GOSISDBHSA-N 0 3 405.502 3.337 40 0 HGABHN COCCOc1ccc(CN2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 ZINC000072395326 558974133 /nfs/dbraw/zinc/97/41/33/558974133.db2.gz VNYLCXRKCRLXON-MRXNPFEDSA-N 0 3 417.460 3.467 40 0 HGABHN C[C@@H]1C[C@@H]1C(=O)N1CCC(c2nc3c(c(=O)[n-]2)C[N@H+](CC2CCCCC2)CC3)CC1 ZINC000072398734 558976385 /nfs/dbraw/zinc/97/63/85/558976385.db2.gz DJNQQKJQDPXHIO-APWZRJJASA-N 0 3 412.578 3.070 40 0 HGABHN C[C@@H]1C[C@@H]1C(=O)N1CCC(c2nc3c(c(=O)[n-]2)C[N@@H+](CC2CCCCC2)CC3)CC1 ZINC000072398734 558976386 /nfs/dbraw/zinc/97/63/86/558976386.db2.gz DJNQQKJQDPXHIO-APWZRJJASA-N 0 3 412.578 3.070 40 0 HGABHN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019369852 559030914 /nfs/dbraw/zinc/03/09/14/559030914.db2.gz WRMKBSBJQCLVBI-FYHVMQNLSA-N 0 3 424.585 3.089 40 0 HGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccnc4)[C@@H]3C2=O)cc1 ZINC000095351588 559079677 /nfs/dbraw/zinc/07/96/77/559079677.db2.gz CAKLGVMOEACNNO-ACRUOGEOSA-N 0 3 401.422 3.141 40 0 HGABHN O=C(C[C@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052820 559092499 /nfs/dbraw/zinc/09/24/99/559092499.db2.gz SUPOOBCHTHODBM-NRFANRHFSA-N 0 3 405.542 3.352 40 0 HGABHN COc1ccc(-c2ncnc3c2c(C(=O)N2CC[C@@H](N(C)C)C2)c2ccccn23)cc1 ZINC000096146690 559098046 /nfs/dbraw/zinc/09/80/46/559098046.db2.gz NUARHEZTOSVPNR-QGZVFWFLSA-N 0 3 415.497 3.334 40 0 HGABHN Cn1cnc2c1cc(C1CCN(Cc3ccccc3F)CC1)nc2N1CCOCC1 ZINC000096155596 559099715 /nfs/dbraw/zinc/09/97/15/559099715.db2.gz USWZKIGFPXWFJD-UHFFFAOYSA-N 0 3 409.509 3.324 40 0 HGABHN Cc1noc(C)c1CN1CCC2(CC1)CN(C(=O)c1cnccn1)Cc1ccccc12 ZINC000096242604 559104239 /nfs/dbraw/zinc/10/42/39/559104239.db2.gz DJEDUQUMNWPLSG-UHFFFAOYSA-N 0 3 417.513 3.271 40 0 HGABHN CC(C)(C)[C@H]1CC[C@](O)(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287806 559123169 /nfs/dbraw/zinc/12/31/69/559123169.db2.gz SEVNESIAQBTRKE-NMNUPHIUSA-N 0 3 409.542 3.235 40 0 HGABHN CN(Cc1ccc(OCc2ccccn2)cc1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000257200446 559282440 /nfs/dbraw/zinc/28/24/40/559282440.db2.gz ADJHPNMTZBMAQS-XMMPIXPASA-N 0 3 422.504 3.268 40 0 HGABHN CN(Cc1ccc(OCc2nccn2C)cc1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257233509 559283878 /nfs/dbraw/zinc/28/38/78/559283878.db2.gz GPOZASHGLJDGQA-OAQYLSRUSA-N 0 3 404.514 3.447 40 0 HGABHN CN(Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)c3ccc4c(ccn4C)c3)C2)OC1 ZINC000575402996 560546869 /nfs/dbraw/zinc/54/68/69/560546869.db2.gz FLYJQPHVVCYKDK-FQEVSTJZSA-N 0 3 418.541 3.327 40 0 HGABHN COc1cccc(-c2noc(CNC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)n2)c1 ZINC000222599791 568519967 /nfs/dbraw/zinc/51/99/67/568519967.db2.gz SOGPNFKEDWBNRL-GOSISDBHSA-N 0 3 424.476 3.413 40 0 HGABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1cc(Br)ccc1OC ZINC000222791190 568526747 /nfs/dbraw/zinc/52/67/47/568526747.db2.gz MJRGDLSLAPWOPY-HNNXBMFYSA-N 0 3 419.385 3.391 40 0 HGABHN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)n1-c1cccnc1 ZINC000223261198 568543166 /nfs/dbraw/zinc/54/31/66/568543166.db2.gz HXLZQIONRSLRHY-NHCUHLMSSA-N 0 3 406.559 3.110 40 0 HGABHN COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000223839558 568560435 /nfs/dbraw/zinc/56/04/35/568560435.db2.gz VJKQKPWTRXXFSL-UHFFFAOYSA-N 0 3 418.515 3.055 40 0 HGABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000242473240 568599218 /nfs/dbraw/zinc/59/92/18/568599218.db2.gz FDKSSCHDQAEKOZ-KNKQGSTJSA-N 0 3 416.543 3.157 40 0 HGABHN COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@H](N)C(C)C)CC[C@H]3O[C@@H]21 ZINC000257233327 568785759 /nfs/dbraw/zinc/78/57/59/568785759.db2.gz GOTSJEWLVKZHOB-UZKILMIQSA-N 0 3 402.535 3.144 40 0 HGABHN Cc1nonc1COc1ccccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)C2 ZINC000257296192 568803302 /nfs/dbraw/zinc/80/33/02/568803302.db2.gz RBQGQQUCMZEEQW-ZERUQHPESA-N 0 3 410.518 3.434 40 0 HGABHN CCOC[C@@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218217405 568836371 /nfs/dbraw/zinc/83/63/71/568836371.db2.gz OTWBSRSMBMOJHH-QYZOEREBSA-N 0 3 424.360 3.370 40 0 HGABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218639243 568885669 /nfs/dbraw/zinc/88/56/69/568885669.db2.gz DJLLEEVARYHFGM-SVFBPWRDSA-N 0 3 421.946 3.350 40 0 HGABHN CC(C)NC(=O)NC[C@@H]1N(C(=O)CCc2ccccc2)CCCC12CCN(C)CC2 ZINC000306124549 568887532 /nfs/dbraw/zinc/88/75/32/568887532.db2.gz BTMCKRXJDHJJMT-NRFANRHFSA-N 0 3 414.594 3.030 40 0 HGABHN COc1cccc(CN2C[C@H]3CCn4c(C(=O)Nc5ccccc5)nnc4[C@@H]3C2)c1 ZINC000306125157 568888003 /nfs/dbraw/zinc/88/80/03/568888003.db2.gz CICUWIYXMVFZOV-YLJYHZDGSA-N 0 3 403.486 3.158 40 0 HGABHN COc1ccc(C(C)C)cc1CN1CCO[C@@]2(CCCC[C@H]2NCC(=O)N(C)C)C1 ZINC000306127001 568889657 /nfs/dbraw/zinc/88/96/57/568889657.db2.gz FLGPNJHDHGKYNY-VWNXMTODSA-N 0 3 417.594 3.010 40 0 HGABHN CC(C)NC(=O)N1C[C@H]2CC[C@@H](CNC(=O)Cc3ccccc3)N2Cc2ccccc21 ZINC000306130024 568892392 /nfs/dbraw/zinc/89/23/92/568892392.db2.gz IUGRHOYVPBIZPZ-FCHUYYIVSA-N 0 3 420.557 3.317 40 0 HGABHN Cc1cnc(N2CC[C@@H](NC(=O)C(C)C)[C@@]3(CCN(Cc4cccs4)C3)C2)nc1 ZINC000306136049 568897912 /nfs/dbraw/zinc/89/79/12/568897912.db2.gz PHNIALQQRMGAAE-DENIHFKCSA-N 0 3 413.591 3.090 40 0 HGABHN c1ccc(CN2C[C@]3(CCN(Cc4ccc5c(c4)OCO5)C3)c3ncccc32)nc1 ZINC000306137966 568899837 /nfs/dbraw/zinc/89/98/37/568899837.db2.gz RLFAQFUXVPTBLP-XMMPIXPASA-N 0 3 400.482 3.369 40 0 HGABHN Cc1ccc(CNC(=O)[C@@H]2CN(C)CC3(CCN(Cc4cccs4)CC3)O2)cc1 ZINC000306140634 568902362 /nfs/dbraw/zinc/90/23/62/568902362.db2.gz UZHXBMZSLKDDBM-NRFANRHFSA-N 0 3 413.587 3.038 40 0 HGABHN CC(C)n1cnc([C@H]2CN(Cc3ccoc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306141156 568902824 /nfs/dbraw/zinc/90/28/24/568902824.db2.gz VMRUAEYDKAPYQI-ZJSXRUAMSA-N 0 3 419.529 3.470 40 0 HGABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306141266 568903118 /nfs/dbraw/zinc/90/31/18/568903118.db2.gz VQFYQXBJXIYXFF-JKSUJKDBSA-N 0 3 409.440 3.113 40 0 HGABHN CN(Cc1ccccc1)C(=O)[C@@H]1CN(C)CC2(CCN(Cc3ccsc3)CC2)O1 ZINC000306142884 568904477 /nfs/dbraw/zinc/90/44/77/568904477.db2.gz XNEVTIWUYVHCAQ-NRFANRHFSA-N 0 3 413.587 3.072 40 0 HGABHN CN(C)CCNc1nc(Nc2c(Cl)cccc2Cl)cc(-c2cccnc2)n1 ZINC000328970383 568970429 /nfs/dbraw/zinc/97/04/29/568970429.db2.gz DKNAGJDAPRQOCK-UHFFFAOYSA-N 0 3 403.317 3.406 40 0 HGABHN CN(C)CCNc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000328979205 568971069 /nfs/dbraw/zinc/97/10/69/568971069.db2.gz GETNLOPZCNGDFU-UHFFFAOYSA-N 0 3 420.414 3.257 40 0 HGABHN Cc1ccc(C(F)(F)F)cc1Nc1cc(C(F)(F)F)nc(NCCN(C)C)n1 ZINC000329032215 568973655 /nfs/dbraw/zinc/97/36/55/568973655.db2.gz QMPVDZXSTAPGJG-UHFFFAOYSA-N 0 3 407.362 3.384 40 0 HGABHN CN(C)c1cnnc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000224309979 569057017 /nfs/dbraw/zinc/05/70/17/569057017.db2.gz RIPOBVLBQPSFRM-UHFFFAOYSA-N 0 3 401.514 3.023 40 0 HGABHN CN(c1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1)S(C)(=O)=O ZINC000009063600 569342411 /nfs/dbraw/zinc/34/24/11/569342411.db2.gz AORHVMFEXWJJFL-UHFFFAOYSA-N 0 3 419.522 3.072 40 0 HGABHN CC1=C[C@@H](CN2CCN(CCO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 ZINC000030883555 291233566 /nfs/dbraw/zinc/23/35/66/291233566.db2.gz RLSJQMOFVBIEQB-ACRUOGEOSA-N 0 3 418.626 3.374 40 0 biogenic,in-vitro HGABHN Cn1nc(-c2ccco2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)COc1ccccc1 ZINC000008635398 291242697 /nfs/dbraw/zinc/24/26/97/291242697.db2.gz OXIDHOULQJVSBR-NSHGMRRFSA-N 0 3 420.513 3.053 40 0 biogenic,in-vitro HGABHN O[C@H]1CC[C@@H](Cc2cc(COc3ccccc3)on2)O[C@@H]1CNCc1ccccc1 ZINC000077262988 291246228 /nfs/dbraw/zinc/24/62/28/291246228.db2.gz LJZPQJUMKHSQEA-OEMFJLHTSA-N 0 3 408.498 3.494 40 0 biogenic,in-vitro HGABHN CCOc1ccc(N2C(=O)c3cccc4c(N5CCNCC5)ccc(c43)C2=O)cc1 ZINC000003108992 132262871 /nfs/dbraw/zinc/26/28/71/132262871.db2.gz XQUKYPADVKXDGN-UHFFFAOYSA-N 0 3 401.466 3.449 40 0 HGABHN COc1ccccc1[C@@]1(O)CCCN(C[C@@H](O)c2ccc3c(c2)CCCN3C(C)=O)C1 ZINC000012291286 132358011 /nfs/dbraw/zinc/35/80/11/132358011.db2.gz LFWQSCDXWXCRGA-ILBGXUMGSA-N 0 3 424.541 3.011 40 0 HGABHN CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000019590933 132468248 /nfs/dbraw/zinc/46/82/48/132468248.db2.gz JVMXIDZENVPFCE-NRFANRHFSA-N 0 3 407.518 3.165 40 0 HGABHN O=C1N(CCN2CCC3(CC2)OCCO3)CCN1c1cc(Cl)cc(Cl)c1 ZINC000001872322 557293566 /nfs/dbraw/zinc/29/35/66/557293566.db2.gz MMTXDKNRPSSVDS-UHFFFAOYSA-N 0 3 400.306 3.074 40 0 HGABHN COc1ccc(NC(=O)N(CCN(C)C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000004231337 557530650 /nfs/dbraw/zinc/53/06/50/557530650.db2.gz KNWSWENARCJNOF-UHFFFAOYSA-N 0 3 408.502 3.441 40 0 HGABHN C/C(=C\c1ccccc1)CN1CCC(c2ccc(C(=O)N3CCOCC3)c(N)n2)CC1 ZINC000019765926 558278360 /nfs/dbraw/zinc/27/83/60/558278360.db2.gz YORPFGPSLSBVDB-HTXNQAPBSA-N 0 3 420.557 3.419 40 0 HGABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1cc(OC)ccc1OC ZINC000019819069 558288987 /nfs/dbraw/zinc/28/89/87/558288987.db2.gz NOJZBJBNKYXWEK-QGZVFWFLSA-N 0 3 424.453 3.142 40 0 HGABHN COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCCN(Cc3ncccc3C)C1)O2 ZINC000012135365 558333813 /nfs/dbraw/zinc/33/38/13/558333813.db2.gz MPNYCVGVKOFFCV-CYFREDJKSA-N 0 3 409.530 3.420 40 0 HGABHN CC(=O)N1c2ccc([C@@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)cc2C[C@H]1C ZINC000012146831 558338123 /nfs/dbraw/zinc/33/81/23/558338123.db2.gz VLOYFEDSIKUYRS-MWTRTKDXSA-N 0 3 412.505 3.140 40 0 HGABHN CCCN1CCN(C(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)CC1 ZINC000020195596 558345066 /nfs/dbraw/zinc/34/50/66/558345066.db2.gz WGUVUNKBCAELBE-UHFFFAOYSA-N 0 3 414.362 3.425 40 0 HGABHN O=C1CCc2cc(S(=O)(=O)NCc3ccccc3CN3CCCCC3)ccc2N1 ZINC000012362517 558387470 /nfs/dbraw/zinc/38/74/70/558387470.db2.gz MWGYZCCKEXLLFT-UHFFFAOYSA-N 0 3 413.543 3.036 40 0 HGABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(CC)cc1 ZINC000020636815 558396148 /nfs/dbraw/zinc/39/61/48/558396148.db2.gz DZNASELIPNGVDN-RTWAWAEBSA-N 0 3 405.498 3.014 40 0 HGABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(SC)cc1 ZINC000020636834 558396232 /nfs/dbraw/zinc/39/62/32/558396232.db2.gz XFHNJKGNKCLCNB-VQTJNVASSA-N 0 3 423.538 3.173 40 0 HGABHN COc1ccc(CNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c(OC)c1OC ZINC000039766419 558685791 /nfs/dbraw/zinc/68/57/91/558685791.db2.gz ODLQCLWSXIRQLL-UHFFFAOYSA-N 0 3 416.493 3.380 40 0 HGABHN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1OC ZINC000015360789 558735878 /nfs/dbraw/zinc/73/58/78/558735878.db2.gz SMLGINMZCIMZLD-UHFFFAOYSA-N 0 3 404.532 3.168 40 0 HGABHN C[C@H](C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)N1CCCC1 ZINC000019080259 558839041 /nfs/dbraw/zinc/83/90/41/558839041.db2.gz FMQQTYHXIOTQTN-QGZVFWFLSA-N 0 3 407.493 3.352 40 0 HGABHN Cc1cccc(OCCCN2CCN(Cc3cn(CC(N)=O)c4ccccc34)CC2)c1 ZINC000019235182 558854410 /nfs/dbraw/zinc/85/44/10/558854410.db2.gz PAFCGKYKMPQXJD-UHFFFAOYSA-N 0 3 420.557 3.022 40 0 HGABHN O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@@H+](C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019342755 558872246 /nfs/dbraw/zinc/87/22/46/558872246.db2.gz IOXNYFAVOAODFD-HNNXBMFYSA-N 0 3 412.559 3.152 40 0 HGABHN O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@H+](C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019342755 558872249 /nfs/dbraw/zinc/87/22/49/558872249.db2.gz IOXNYFAVOAODFD-HNNXBMFYSA-N 0 3 412.559 3.152 40 0 HGABHN O=C(NC[C@@H]1CCCOC1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372547 558879885 /nfs/dbraw/zinc/87/98/85/558879885.db2.gz RPXAZOUXKVXVAR-WWPVKYPJSA-N 0 3 424.516 3.299 40 0 HGABHN C[C@@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCC2)CC3)C1)c1ccccc1 ZINC000019459043 558892919 /nfs/dbraw/zinc/89/29/19/558892919.db2.gz YYJCLXCWYJGYRM-IEBWSBKVSA-N 0 3 420.557 3.190 40 0 HGABHN C[C@@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCC2)CC3)C1)c1ccccc1 ZINC000019459043 558892921 /nfs/dbraw/zinc/89/29/21/558892921.db2.gz YYJCLXCWYJGYRM-IEBWSBKVSA-N 0 3 420.557 3.190 40 0 HGABHN CCC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000019499338 558897482 /nfs/dbraw/zinc/89/74/82/558897482.db2.gz JXOWJKPNXFLDAC-LEWJYISDSA-N 0 3 410.514 3.419 40 0 HGABHN CCC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000019499336 558897566 /nfs/dbraw/zinc/89/75/66/558897566.db2.gz JXOWJKPNXFLDAC-NHCUHLMSSA-N 0 3 410.514 3.419 40 0 HGABHN CC[C@@H](C)C(=O)N1CCc2cc([C@@H](O)CN3CCCN(c4ccccn4)CC3)ccc21 ZINC000019499894 558898049 /nfs/dbraw/zinc/89/80/49/558898049.db2.gz ZJHLLYIYFSJPRX-XXBNENTESA-N 0 3 422.573 3.263 40 0 HGABHN CCOc1ccccc1CN1CCC2(C[C@]3(CO2)Nc2ccccc2C(=O)N3)CC1 ZINC000019520171 558901028 /nfs/dbraw/zinc/90/10/28/558901028.db2.gz SOASZPMVXMYUAS-DEOSSOPVSA-N 0 3 407.514 3.392 40 0 HGABHN CCCn1nc(C)c(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c1C ZINC000019525844 558907313 /nfs/dbraw/zinc/90/73/13/558907313.db2.gz CEADHEHUARNUGH-IBGZPJMESA-N 0 3 412.582 3.363 40 0 HGABHN CCCn1nc(C)c(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c1C ZINC000019525844 558907315 /nfs/dbraw/zinc/90/73/15/558907315.db2.gz CEADHEHUARNUGH-IBGZPJMESA-N 0 3 412.582 3.363 40 0 HGABHN CN(C)CCNc1nc(-c2ccncc2)nc2c1CN(Cc1ccccc1F)CC2 ZINC000019582967 558937548 /nfs/dbraw/zinc/93/75/48/558937548.db2.gz NHJJYFVMUUVESD-UHFFFAOYSA-N 0 3 406.509 3.210 40 0 HGABHN CC1CCN(CCOc2ccccc2NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000019654899 558948254 /nfs/dbraw/zinc/94/82/54/558948254.db2.gz AELWKMPGHSUQNU-GOSISDBHSA-N 0 3 401.551 3.383 40 0 HGABHN COc1cccc([C@@H](CNC(=O)c2cn(C)c(=O)c3ccccc23)N2CCCC2)c1 ZINC000019663827 558954639 /nfs/dbraw/zinc/95/46/39/558954639.db2.gz WQLAYZHKYSFMJM-JOCHJYFZSA-N 0 3 405.498 3.114 40 0 HGABHN CC(=O)N1CCc2nc(C3CCN(C)CC3)nc(N(C)CCCc3ccccc3)c2C1 ZINC000072372293 558959738 /nfs/dbraw/zinc/95/97/38/558959738.db2.gz YWNSOVDSDHSHAH-UHFFFAOYSA-N 0 3 421.589 3.259 40 0 HGABHN Cc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCc3nccn3C)cc2)c(C)c1 ZINC000257315015 559011773 /nfs/dbraw/zinc/01/17/73/559011773.db2.gz UZNKRNMOOGIIAT-NRFANRHFSA-N 0 3 409.530 3.488 40 0 HGABHN COCC[N@H+](C[C@H]1CC2(CO1)CCN(C(=O)c1cc(C)ccc1[O-])CC2)C(C)C ZINC000585103759 559025784 /nfs/dbraw/zinc/02/57/84/559025784.db2.gz IXODWEODOPNORX-LJQANCHMSA-N 0 3 404.551 3.069 40 0 HGABHN COCC[N@@H+](C[C@H]1CC2(CO1)CCN(C(=O)c1cc(C)ccc1[O-])CC2)C(C)C ZINC000585103759 559025786 /nfs/dbraw/zinc/02/57/86/559025786.db2.gz IXODWEODOPNORX-LJQANCHMSA-N 0 3 404.551 3.069 40 0 HGABHN C[C@H](CN1C[C@@H]2CN(S(=O)(=O)c3cc(F)cc(F)c3)CC[C@@H]21)c1ccccc1 ZINC000585108035 559029888 /nfs/dbraw/zinc/02/98/88/559029888.db2.gz XKSOIVWCAUSGSI-CEQIKUNHSA-N 0 3 406.498 3.463 40 0 HGABHN CN1CCCN(C(=O)c2c3ccccn3c3ncnc(NCc4ccccc4)c32)CC1 ZINC000096087896 559095084 /nfs/dbraw/zinc/09/50/84/559095084.db2.gz SHGUNGAYACIBTF-UHFFFAOYSA-N 0 3 414.513 3.272 40 0 HGABHN CN(C)C(=O)n1c(C(=O)N2CC[C@@H](N(C)C)C2)cc2c1c1ccccc1n2CC1CC1 ZINC000096146526 559097898 /nfs/dbraw/zinc/09/78/98/559097898.db2.gz JGLQEDCWUDSRAS-QGZVFWFLSA-N 0 3 421.545 3.312 40 0 HGABHN CN(Cc1ccccc1)[C@@H]1COC2(C1)CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000096221009 559101983 /nfs/dbraw/zinc/10/19/83/559101983.db2.gz BXNCVVLFISVFAA-FQEVSTJZSA-N 0 3 418.534 3.270 40 0 HGABHN O=C(c1nc2c(s1)CCCN2Cc1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000096264619 559107561 /nfs/dbraw/zinc/10/75/61/559107561.db2.gz DCUTZWBMTYCQCY-UHFFFAOYSA-N 0 3 419.554 3.453 40 0 HGABHN NC1(C(=O)N2CCC(c3cccc(Nc4ncc(Br)s4)n3)CC2)CC1 ZINC000585262909 559111601 /nfs/dbraw/zinc/11/16/01/559111601.db2.gz DFYVBOUAALNTGX-UHFFFAOYSA-N 0 3 422.352 3.242 40 0 HGABHN Cn1ccnc1COc1ccc(CN2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000585271074 559116464 /nfs/dbraw/zinc/11/64/64/559116464.db2.gz QMYIWFHHKVLDBQ-XMMPIXPASA-N 0 3 407.514 3.405 40 0 HGABHN COc1cc(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc(OC)c1OC ZINC000104566327 559161277 /nfs/dbraw/zinc/16/12/77/559161277.db2.gz CCROMEATPSCQHG-UHFFFAOYSA-N 0 3 414.502 3.115 40 0 HGABHN Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN2CCC(C)CC2)c2ccccc2)cc1 ZINC000000787237 559279397 /nfs/dbraw/zinc/27/93/97/559279397.db2.gz FNPYSIAZYBSEDW-NRFANRHFSA-N 0 3 402.560 3.283 40 0 HGABHN CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@@H](O)COC1CCCCC1 ZINC000257244360 559284295 /nfs/dbraw/zinc/28/42/95/559284295.db2.gz IKYWNUVXKMUZPM-OAQYLSRUSA-N 0 3 418.578 3.220 40 0 HGABHN C[C@@H]([C@@H](O)c1ccccc1)N(C)C[C@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@@]3(C)[C@H](O)[C@@H]21 ZINC000004028673 560597294 /nfs/dbraw/zinc/59/72/94/560597294.db2.gz SYTZVGPWDLPTPO-XMPDMAAFSA-N 0 3 413.558 3.325 40 0 HGABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 ZINC000004133448 560600495 /nfs/dbraw/zinc/60/04/95/560600495.db2.gz LOZWMTNUBAPMFC-UHFFFAOYSA-N 0 3 408.571 3.275 40 0 HGABHN Cn1c(SCCN2CCCC2)nnc1C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000006234745 560630309 /nfs/dbraw/zinc/63/03/09/560630309.db2.gz QXALYJJNPSFARV-UHFFFAOYSA-N 0 3 414.579 3.415 40 0 HGABHN c1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019372836 560872460 /nfs/dbraw/zinc/87/24/60/560872460.db2.gz OEFNWPHOLYOALC-QHCPKHFHSA-N 0 3 402.546 3.371 40 0 HGABHN COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(C3CCCCC3)CC2)cc1 ZINC000020139451 560881096 /nfs/dbraw/zinc/88/10/96/560881096.db2.gz XNEKYYQVXBJZIX-NRFANRHFSA-N 0 3 412.582 3.476 40 0 HGABHN CC(C)c1nccc(C[C@H]2[C@H](NCc3ccc(C(F)(F)F)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382407 568489473 /nfs/dbraw/zinc/48/94/73/568489473.db2.gz RCGPYODJRPVXQZ-UAFMIMERSA-N 0 3 423.479 3.309 40 0 biogenic,in-vitro HGABHN CC(C)(C)c1nccc(C[C@H]2[C@H](NCc3ccc(Cl)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382311 568489549 /nfs/dbraw/zinc/48/95/49/568489549.db2.gz NYYWNTXSULYHLK-UAFMIMERSA-N 0 3 403.954 3.118 40 0 biogenic,in-vitro HGABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1cc(Br)ccc1OC ZINC000222791119 568526739 /nfs/dbraw/zinc/52/67/39/568526739.db2.gz MJRGDLSLAPWOPY-OAHLLOKOSA-N 0 3 419.385 3.391 40 0 HGABHN COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 ZINC000223279630 568543930 /nfs/dbraw/zinc/54/39/30/568543930.db2.gz PXHMPDDDKLBOJN-VXKWHMMOSA-N 0 3 421.570 3.415 40 0 HGABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242473214 568598937 /nfs/dbraw/zinc/59/89/37/568598937.db2.gz FCGSADDHOIRCQG-TUNNFDKTSA-N 0 3 401.528 3.005 40 0 HGABHN COc1ccc([C@@H](N)c2n[nH]c(-c3ccc(I)cc3)n2)cc1 ZINC000095533707 568635351 /nfs/dbraw/zinc/63/53/51/568635351.db2.gz BWSLLLHWEDZYPJ-CQSZACIVSA-N 0 3 406.227 3.133 40 0 HGABHN Cc1ccc(Nc2cc(C)nc([C@H]3CCN(S(=O)(=O)c4cn(C)cn4)C3)c2)cc1 ZINC000257217587 568781269 /nfs/dbraw/zinc/78/12/69/568781269.db2.gz CZPBOBLGWGEHIW-KRWDZBQOSA-N 0 3 411.531 3.354 40 0 HGABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)CC2(O)CCCCC2)CC1 ZINC000257218677 568781584 /nfs/dbraw/zinc/78/15/84/568781584.db2.gz DEBZKYDHWBGJNM-HSZRJFAPSA-N 0 3 406.542 3.086 40 0 HGABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)CC2(O)CCCCC2)CC1 ZINC000257218678 568781657 /nfs/dbraw/zinc/78/16/57/568781657.db2.gz DEBZKYDHWBGJNM-QHCPKHFHSA-N 0 3 406.542 3.086 40 0 HGABHN CN(C)CCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000257273542 568796570 /nfs/dbraw/zinc/79/65/70/568796570.db2.gz NHBDFCKGXIWMRE-MRXNPFEDSA-N 0 3 414.575 3.094 40 0 HGABHN CC(=O)N1CCCC[C@@H]2CN(Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@H]21 ZINC000257300177 568804468 /nfs/dbraw/zinc/80/44/68/568804468.db2.gz RTFIFMMQVRXMQT-WIYYLYMNSA-N 0 3 415.578 3.071 40 0 HGABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218587679 568882619 /nfs/dbraw/zinc/88/26/19/568882619.db2.gz OMBKGVQRHQKMII-CMKODMSKSA-N 0 3 407.919 3.096 40 0 HGABHN COc1cccc(CN2C[C@@H]3CCn4c(C(=O)Nc5ccccc5)nnc4[C@@H]3C2)c1 ZINC000306125154 568887872 /nfs/dbraw/zinc/88/78/72/568887872.db2.gz CICUWIYXMVFZOV-FXAWDEMLSA-N 0 3 403.486 3.158 40 0 HGABHN CC(C)n1cnc([C@H]2CN(Cc3ccccc3)C[C@@]23OCCN(CC2CCC2)C3=O)c1 ZINC000306126030 568888596 /nfs/dbraw/zinc/88/85/96/568888596.db2.gz DKBHTDLNPCYXGE-RCZVLFRGSA-N 0 3 422.573 3.461 40 0 HGABHN Cc1ccc(CN2CC[C@]3(C2)COCc2c(C(=O)NC4CCCC4)[nH]nc23)s1 ZINC000306140069 568901816 /nfs/dbraw/zinc/90/18/16/568901816.db2.gz UISBUSUOWGIENG-NRFANRHFSA-N 0 3 400.548 3.126 40 0 HGABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306141264 568903111 /nfs/dbraw/zinc/90/31/11/568903111.db2.gz VQFYQXBJXIYXFF-HOTGVXAUSA-N 0 3 409.440 3.113 40 0 HGABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1C2 ZINC000306143050 568904745 /nfs/dbraw/zinc/90/47/45/568904745.db2.gz XRTUHKRTKKHDMO-IRXDYDNUSA-N 0 3 407.905 3.488 40 0 HGABHN CC(C)(C)OC(=O)N1CCN[C@@]2(C1)CCCN(C(=O)OCc1ccccc1)CC2 ZINC000306145614 568906585 /nfs/dbraw/zinc/90/65/85/568906585.db2.gz KMSUUURLBMUGNO-QFIPXVFZSA-N 0 3 403.523 3.388 40 0 HGABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242592200 568967832 /nfs/dbraw/zinc/96/78/32/568967832.db2.gz OMBKGVQRHQKMII-NLWGTHIKSA-N 0 3 407.919 3.096 40 0 HGABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000242750275 568970689 /nfs/dbraw/zinc/97/06/89/568970689.db2.gz ZJNJMNNUEPNQEG-VAMGGRTRSA-N 0 3 409.935 3.270 40 0 HGABHN CCN1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2N)CC1 ZINC000226263502 569278910 /nfs/dbraw/zinc/27/89/10/569278910.db2.gz NWJKZBMVEWHUBH-UHFFFAOYSA-N 0 3 403.324 3.426 40 0 HGABHN CN(C)CCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000010111685 569342904 /nfs/dbraw/zinc/34/29/04/569342904.db2.gz UEQKSDKDRRRMDM-OAQYLSRUSA-N 0 3 417.962 3.406 40 0 HGABHN CN(C)c1ncc(CN2CC[C@@H](c3cc(COc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000019704613 569347674 /nfs/dbraw/zinc/34/76/74/569347674.db2.gz NOJWIJSYUAWGSY-MRXNPFEDSA-N 0 3 412.925 3.488 40 0 HGABHN O=C(CN1CCCC1)N1CC[C@H](c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1 ZINC000019704985 569347836 /nfs/dbraw/zinc/34/78/36/569347836.db2.gz ZHMPCMUBQOVVKS-KRWDZBQOSA-N 0 3 422.508 3.121 40 0 HGABHN COCCNC(=O)[C@@H]1Cc2cn(Cc3cccnc3)c3cccc(c23)[C@H](CC(C)C)N1 ZINC000049171587 291236843 /nfs/dbraw/zinc/23/68/43/291236843.db2.gz ADKISVLBQCRRBZ-VXKWHMMOSA-N 0 3 420.557 3.449 40 0 biogenic,in-vitro HGABHN Fc1cccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NCc3ccccc3)n2)c1 ZINC000005440630 291242664 /nfs/dbraw/zinc/24/26/64/291242664.db2.gz QBIHJGZXJZZLCT-FNAHDJPLSA-N 0 3 406.461 3.019 40 0 biogenic,in-vitro HGABHN COc1cc(CNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc(OC)c1OC ZINC000044917535 522428732 /nfs/dbraw/zinc/42/87/32/522428732.db2.gz AAPVBLWJLXBJGX-SFHVURJKSA-N 0 3 416.493 3.380 40 0 HGABHN COCc1nn2c(ncc3c2ccn(CCN(C)C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397758 523246498 /nfs/dbraw/zinc/24/64/98/523246498.db2.gz IHJQHKDBJWAQAE-UHFFFAOYSA-N 0 3 411.893 3.073 40 0 HGABHN Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(O)ccc43)CC1)CCCC2 ZINC000044699422 527183161 /nfs/dbraw/zinc/18/31/61/527183161.db2.gz KMZACMPMNDRKFH-UHFFFAOYSA-N 0 3 408.502 3.157 40 0 in-vitro HGABHN CCC(=O)N1CCc2cc([C@@H](O)CN3CCC(O)(c4ccccc4C)CC3)ccc21 ZINC000012181128 558342679 /nfs/dbraw/zinc/34/26/79/558342679.db2.gz LCJGAECNSALFPE-QHCPKHFHSA-N 0 3 408.542 3.311 40 0 HGABHN C[C@@H]1C[C@H](C)CN(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182722 558343561 /nfs/dbraw/zinc/34/35/61/558343561.db2.gz XUWNGOZYVZDLIU-QGWWYQLQSA-N 0 3 402.539 3.365 40 0 HGABHN Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNC[C@@H]3Cc4ccccc4O3)cc12 ZINC000012186193 558345541 /nfs/dbraw/zinc/34/55/41/558345541.db2.gz KDCSJSDHTWCQRG-IBGZPJMESA-N 0 3 404.445 3.255 40 0 HGABHN CCOc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(OC)ccc2O3)cc1 ZINC000012293665 558367007 /nfs/dbraw/zinc/36/70/07/558367007.db2.gz GFTZFYRDDBMVNZ-YADHBBJMSA-N 0 3 413.514 3.478 40 0 HGABHN CCOc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc(OC)cc2O3)cc1 ZINC000012329554 558384307 /nfs/dbraw/zinc/38/43/07/558384307.db2.gz KZNDCZVLIGJBAR-VXKWHMMOSA-N 0 3 413.514 3.478 40 0 HGABHN O=c1c2cnc3nc(-c4ccc(Cl)cc4)nn3c2ccn1CCN1CCCCC1 ZINC000020674486 558399288 /nfs/dbraw/zinc/39/92/88/558399288.db2.gz NKFOVIVPXAMJLQ-UHFFFAOYSA-N 0 3 408.893 3.246 40 0 HGABHN CC(=O)N1CCC[C@@H](c2[nH]c3cccnc3c2CN2CCN(C3CCCC3)CC2)C1 ZINC000023089285 558533978 /nfs/dbraw/zinc/53/39/78/558533978.db2.gz ZUZHQNUAJZGWEA-LJQANCHMSA-N 0 3 409.578 3.349 40 0 HGABHN O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(CN2CCCC2)cc1 ZINC000013677485 558564860 /nfs/dbraw/zinc/56/48/60/558564860.db2.gz ULCHXMCRFDTCNZ-HXUWFJFHSA-N 0 3 407.514 3.444 40 0 HGABHN Cc1ccc(CN2CCC(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)CC2)cc1 ZINC000039745631 558686860 /nfs/dbraw/zinc/68/68/60/558686860.db2.gz GFTLJIFVJQYGIN-UHFFFAOYSA-N 0 3 415.559 3.242 40 0 HGABHN CC(=O)Nc1ccc(C[NH+]2CCC(c3cc(=O)[n-]c(N4CCCCC4)n3)CC2)cc1 ZINC000019022438 558838054 /nfs/dbraw/zinc/83/80/54/558838054.db2.gz MEFWPEKESLETNL-UHFFFAOYSA-N 0 3 409.534 3.098 40 0 HGABHN COCCOc1ccc(CN2C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C2)cc1OC ZINC000019216116 558850049 /nfs/dbraw/zinc/85/00/49/558850049.db2.gz GJWTYMAJSPJFAM-JXALWOEJSA-N 0 3 412.530 3.153 40 0 HGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000013645544 558850476 /nfs/dbraw/zinc/85/04/76/558850476.db2.gz CSAGVHLTZREPBO-FSSWDIPSSA-N 0 3 416.433 3.452 40 0 HGABHN COc1ccc([C@@H]2C[N@H+](Cc3cccc(OC)c3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285509 558859935 /nfs/dbraw/zinc/85/99/35/558859935.db2.gz ZQESRBUZOHAPIG-FCHUYYIVSA-N 0 3 405.498 3.479 40 0 HGABHN COc1ccc([C@@H]2C[N@@H+](Cc3cccc(OC)c3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285509 558859936 /nfs/dbraw/zinc/85/99/36/558859936.db2.gz ZQESRBUZOHAPIG-FCHUYYIVSA-N 0 3 405.498 3.479 40 0 HGABHN COc1ccc(C2(CN3CCC(NC(=O)c4c(Cl)cnn4C)CC3)CC2)cc1 ZINC000019288564 558861524 /nfs/dbraw/zinc/86/15/24/558861524.db2.gz TWHNAVRQUWSUMR-UHFFFAOYSA-N 0 3 402.926 3.008 40 0 HGABHN FC(F)(F)c1cccc(CN2CCC[C@H](Cn3nnc(-c4cnccn4)n3)C2)c1 ZINC000019293309 558865073 /nfs/dbraw/zinc/86/50/73/558865073.db2.gz AEMMKQMNTVMEPL-HNNXBMFYSA-N 0 3 403.412 3.061 40 0 HGABHN Fc1ccc(OCCN2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 ZINC000019335940 558869924 /nfs/dbraw/zinc/86/99/24/558869924.db2.gz GJAXCHXPNKGDKI-XOKHGSTOSA-N 0 3 413.419 3.496 40 0 HGABHN O=C(c1cccnc1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019337524 558870685 /nfs/dbraw/zinc/87/06/85/558870685.db2.gz KNSJETDJLREJPW-OAQYLSRUSA-N 0 3 421.545 3.493 40 0 HGABHN O=C(c1cccnc1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019337524 558870687 /nfs/dbraw/zinc/87/06/87/558870687.db2.gz KNSJETDJLREJPW-OAQYLSRUSA-N 0 3 421.545 3.493 40 0 HGABHN O=C(c1cccnc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2 ZINC000019337524 558870689 /nfs/dbraw/zinc/87/06/89/558870689.db2.gz KNSJETDJLREJPW-OAQYLSRUSA-N 0 3 421.545 3.493 40 0 HGABHN O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccccc1CN1CCCCCC1 ZINC000019349115 558874937 /nfs/dbraw/zinc/87/49/37/558874937.db2.gz CXTNYNJFTZBXHK-UHFFFAOYSA-N 0 3 412.534 3.256 40 0 HGABHN O=C(CN1CCCCCC1)N[C@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1 ZINC000019369319 558877742 /nfs/dbraw/zinc/87/77/42/558877742.db2.gz VJONDQWVBAOWEK-OAQYLSRUSA-N 0 3 408.546 3.313 40 0 HGABHN O=C(NCc1ccccn1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372579 558879760 /nfs/dbraw/zinc/87/97/60/558879760.db2.gz JZTAGQODXMPPGU-DHIUTWEWSA-N 0 3 417.484 3.468 40 0 HGABHN O=C(NC1CCCC1)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372464 558879833 /nfs/dbraw/zinc/87/98/33/558879833.db2.gz YJACODYMOVJAQI-VXKWHMMOSA-N 0 3 419.573 3.351 40 0 HGABHN O=C1CCCN1c1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000019374911 558881525 /nfs/dbraw/zinc/88/15/25/558881525.db2.gz USBVQOHNEULINU-VXKWHMMOSA-N 0 3 422.525 3.198 40 0 HGABHN c1ccc(CN2CCC[C@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)nc1 ZINC000019401625 558883619 /nfs/dbraw/zinc/88/36/19/558883619.db2.gz SFISTZLIZUFIFQ-FQEVSTJZSA-N 0 3 416.529 3.150 40 0 HGABHN CCc1ccc(C[N@@H+]2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019522875 558904126 /nfs/dbraw/zinc/90/41/26/558904126.db2.gz JOOGOVVGVOVCHQ-FQEVSTJZSA-N 0 3 420.557 3.007 40 0 HGABHN CCc1ccc(C[N@H+]2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019522875 558904130 /nfs/dbraw/zinc/90/41/30/558904130.db2.gz JOOGOVVGVOVCHQ-FQEVSTJZSA-N 0 3 420.557 3.007 40 0 HGABHN Cc1nc(C)c(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)s1 ZINC000019560128 558921158 /nfs/dbraw/zinc/92/11/58/558921158.db2.gz DBQXNMQKOYMEFT-QGZVFWFLSA-N 0 3 415.563 3.389 40 0 HGABHN Cc1nc(C)c(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)s1 ZINC000019560128 558921159 /nfs/dbraw/zinc/92/11/59/558921159.db2.gz DBQXNMQKOYMEFT-QGZVFWFLSA-N 0 3 415.563 3.389 40 0 HGABHN COc1ccc2nc(CN3CCC(c4nnc(-c5cnccn5)o4)CC3)ccc2c1 ZINC000019563689 558923683 /nfs/dbraw/zinc/92/36/83/558923683.db2.gz WLSKSGHIGSBZBV-UHFFFAOYSA-N 0 3 402.458 3.463 40 0 HGABHN Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000019578559 558934184 /nfs/dbraw/zinc/93/41/84/558934184.db2.gz IKHSEYOSOSBTBI-QFIPXVFZSA-N 0 3 420.561 3.263 40 0 HGABHN CN(C)CCN(C)c1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000019582482 558937338 /nfs/dbraw/zinc/93/73/38/558937338.db2.gz OBVJHNYPVWLIOG-UHFFFAOYSA-N 0 3 420.536 3.234 40 0 HGABHN COCCOc1cccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 ZINC000019593788 558944938 /nfs/dbraw/zinc/94/49/38/558944938.db2.gz GZBCQQYHBBNARY-NZSAHSFTSA-N 0 3 421.492 3.206 40 0 HGABHN Cc1ncc(CN2CC[C@@H](c3c4ccccc4sc3C(=O)NCCO)C2)s1 ZINC000072352329 558948608 /nfs/dbraw/zinc/94/86/08/558948608.db2.gz PWMLGUMJECTREG-CQSZACIVSA-N 0 3 401.557 3.378 40 0 HGABHN COc1ccccc1CN(Cc1cnc(N2CCOCC2)s1)C1CCN(C)CC1 ZINC000019664458 558954910 /nfs/dbraw/zinc/95/49/10/558954910.db2.gz AXHBPVIHVPQRFV-UHFFFAOYSA-N 0 3 416.591 3.085 40 0 HGABHN CCOCc1ccc(C(=O)N2CCc3nc(C4CCN(C)CC4)nc(NC)c3C2)cc1 ZINC000019711374 558973752 /nfs/dbraw/zinc/97/37/52/558973752.db2.gz BOVNBIBWWKWHHJ-UHFFFAOYSA-N 0 3 423.561 3.063 40 0 HGABHN C[C@H](CN1C[C@@H]2CN(S(=O)(=O)c3cc(F)cc(F)c3)CC[C@H]21)c1ccccc1 ZINC000585108039 559029862 /nfs/dbraw/zinc/02/98/62/559029862.db2.gz XKSOIVWCAUSGSI-QLVMHMETSA-N 0 3 406.498 3.463 40 0 HGABHN CCCN1CCN(CCC(N)=O)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585172752 559068751 /nfs/dbraw/zinc/06/87/51/559068751.db2.gz DZBPCVWVGVFZCL-QFIPXVFZSA-N 0 3 407.558 3.250 40 0 HGABHN Cc1ccc(CN2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)s1 ZINC000096050107 559092130 /nfs/dbraw/zinc/09/21/30/559092130.db2.gz CLUCRERYHKSSFQ-UHFFFAOYSA-N 0 3 404.605 3.130 40 0 HGABHN CCCCN(C)C(=O)c1ncn2c1nccc2C1CCN(Cc2cccnc2)CC1 ZINC000096155705 559099870 /nfs/dbraw/zinc/09/98/70/559099870.db2.gz FOLLGBAKVOWZEQ-UHFFFAOYSA-N 0 3 406.534 3.376 40 0 HGABHN COc1ccc(CN2Cc3ccccc3C3(CCN(CC(=O)N(C)C)CC3)C2)cc1 ZINC000096242427 559103945 /nfs/dbraw/zinc/10/39/45/559103945.db2.gz KJXCQCOOSLOKQM-UHFFFAOYSA-N 0 3 407.558 3.133 40 0 HGABHN Cc1cccc(CN2CCC3(CC2)CN(C(=O)c2cnccn2)Cc2ccccc23)n1 ZINC000096242610 559104220 /nfs/dbraw/zinc/10/42/20/559104220.db2.gz FQOPJPZXTRHQNQ-UHFFFAOYSA-N 0 3 413.525 3.370 40 0 HGABHN CC(C)(N)C(=O)N1CCC(c2cccc(Nc3ncc(Br)s3)n2)CC1 ZINC000585263096 559111947 /nfs/dbraw/zinc/11/19/47/559111947.db2.gz JUOLHFNXSQJMRC-UHFFFAOYSA-N 0 3 424.368 3.488 40 0 HGABHN COC(=O)C1c2cc(F)ccc2C(=O)N(Cc2ccc(Br)cc2F)C1=O ZINC000034106443 560571588 /nfs/dbraw/zinc/57/15/88/560571588.db2.gz VRDRWIRJPFJGHV-HNNXBMFYSA-N 0 3 424.197 3.167 40 0 HGABHN Cc1ccc(NC(=O)N(CCN(C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000004860172 560613089 /nfs/dbraw/zinc/61/30/89/560613089.db2.gz NMYUOOSXYPLFKM-UHFFFAOYSA-N 0 3 422.485 3.161 40 0 HGABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccccc2Cl)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382302 568489579 /nfs/dbraw/zinc/48/95/79/568489579.db2.gz NOSIWKOILCOGMQ-OHUMZHCVSA-N 0 3 423.944 3.487 40 0 biogenic,in-vitro HGABHN COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 ZINC000223279587 568543885 /nfs/dbraw/zinc/54/38/85/568543885.db2.gz PXHMPDDDKLBOJN-FCHUYYIVSA-N 0 3 421.570 3.415 40 0 HGABHN COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1 ZINC000223279404 568543891 /nfs/dbraw/zinc/54/38/91/568543891.db2.gz JDWPKDMXEUHNTN-VXKWHMMOSA-N 0 3 421.570 3.415 40 0 HGABHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc(CN2CCOCC2)cc1 ZINC000224806909 568597768 /nfs/dbraw/zinc/59/77/68/568597768.db2.gz CJISGPAIOGXLLV-UHFFFAOYSA-N 0 3 407.558 3.435 40 0 HGABHN COC(=O)c1ccc(CS(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000224834618 568599376 /nfs/dbraw/zinc/59/93/76/568599376.db2.gz OKVWJZLOBOQVRW-UHFFFAOYSA-N 0 3 416.543 3.079 40 0 HGABHN CC(C)n1c2ccc(S(=O)(=O)NCCCN3CCC(C)CC3)cc2sc1=O ZINC000225712038 568666895 /nfs/dbraw/zinc/66/68/95/568666895.db2.gz NUTLQPXDXBKNFD-UHFFFAOYSA-N 0 3 411.593 3.044 40 0 HGABHN CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)CCN(C)Cc2cccnc2)n1 ZINC000257216202 568780801 /nfs/dbraw/zinc/78/08/01/568780801.db2.gz CTNVSXKSCBBIKW-NRFANRHFSA-N 0 3 418.545 3.410 40 0 HGABHN Cc1cnc(Nc2cc(CC3CCN(C(=O)[C@@H]4CCCCN4)CC3)nc(C)n2)s1 ZINC000257272528 568796310 /nfs/dbraw/zinc/79/63/10/568796310.db2.gz NCTBOAOIXLQXRT-SFHVURJKSA-N 0 3 414.579 3.217 40 0 HGABHN CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCCc1cc(=O)[nH][n-]1 ZINC000257283213 568799425 /nfs/dbraw/zinc/79/94/25/568799425.db2.gz OXFZNQCMEIMOQF-MJGOQNOKSA-N 0 3 400.523 3.463 40 0 HGABHN CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCCc1cc(=O)[nH][n-]1 ZINC000257283213 568799427 /nfs/dbraw/zinc/79/94/27/568799427.db2.gz OXFZNQCMEIMOQF-MJGOQNOKSA-N 0 3 400.523 3.463 40 0 HGABHN Cc1ccccc1CN1CCC(c2nnc([C@H]3CCCCN3S(C)(=O)=O)o2)CC1 ZINC000257333136 568814040 /nfs/dbraw/zinc/81/40/40/568814040.db2.gz YAHFWKCPGAXVBZ-LJQANCHMSA-N 0 3 418.563 3.244 40 0 HGABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218533502 568880704 /nfs/dbraw/zinc/88/07/04/568880704.db2.gz SRMQAWYJNWDINO-HBFSDRIKSA-N 0 3 407.919 3.096 40 0 HGABHN CC(C)NC(=O)NC[C@H]1N(C(=O)CCc2ccccc2)CCCC12CCN(C)CC2 ZINC000306124550 568887451 /nfs/dbraw/zinc/88/74/51/568887451.db2.gz BTMCKRXJDHJJMT-OAQYLSRUSA-N 0 3 414.594 3.030 40 0 HGABHN Cc1ccc(CN2CCOC[C@]3(CC[C@@H](CNC(=O)c4ccc(C)cc4)O3)C2)cc1 ZINC000306135790 568897716 /nfs/dbraw/zinc/89/77/16/568897716.db2.gz PAXKMWPDJXWEKB-ZCYQVOJMSA-N 0 3 408.542 3.483 40 0 HGABHN Cc1cnc(N2CC[C@H](NC(=O)C(C)C)[C@]3(CCN(Cc4cccs4)C3)C2)nc1 ZINC000306136052 568897941 /nfs/dbraw/zinc/89/79/41/568897941.db2.gz PHNIALQQRMGAAE-UGKGYDQZSA-N 0 3 413.591 3.090 40 0 HGABHN Cc1cnc(N2CC[C@H](NC(=O)C(C)C)[C@@]3(CCN(Cc4cccs4)C3)C2)nc1 ZINC000306136051 568898024 /nfs/dbraw/zinc/89/80/24/568898024.db2.gz PHNIALQQRMGAAE-SIKLNZKXSA-N 0 3 413.591 3.090 40 0 HGABHN COc1ncccc1CN1C[C@@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306136335 568898215 /nfs/dbraw/zinc/89/82/15/568898215.db2.gz PQIVDAGKHXRGNV-GBXCKJPGSA-N 0 3 423.561 3.096 40 0 HGABHN CCc1ccc(CN2CC[C@]3(C2)COCc2cnc(NCc4cncn4C)nc23)cc1 ZINC000306144730 568906121 /nfs/dbraw/zinc/90/61/21/568906121.db2.gz ZNILZPBEQVSESA-DEOSSOPVSA-N 0 3 418.545 3.059 40 0 HGABHN CCOC[C@@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218121605 568926060 /nfs/dbraw/zinc/92/60/60/568926060.db2.gz ZJNJMNNUEPNQEG-AABGKKOBSA-N 0 3 409.935 3.270 40 0 HGABHN CN(C)CCNc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2cccnc2)n1 ZINC000328957948 568969566 /nfs/dbraw/zinc/96/95/66/568969566.db2.gz AMPIKMLETCDSRK-UHFFFAOYSA-N 0 3 403.317 3.406 40 0 HGABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2ccccc2Br)CC1 ZINC000226258759 569278695 /nfs/dbraw/zinc/27/86/95/569278695.db2.gz HNRSCZMEZBBURF-UHFFFAOYSA-N 0 3 403.324 3.426 40 0 HGABHN CCOc1ccc(COC)cc1CN1CC[C@H](c2ncncc2-c2noc(C)n2)C1 ZINC000019693723 569346561 /nfs/dbraw/zinc/34/65/61/569346561.db2.gz RBCMPYQBZXTBLN-KRWDZBQOSA-N 0 3 409.490 3.370 40 0 HGABHN COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCN(Cc3cn(C)nc3C)C2)cc1 ZINC000019694776 569346646 /nfs/dbraw/zinc/34/66/46/569346646.db2.gz LFOORQZQAGFKQA-GOSISDBHSA-N 0 3 406.534 3.250 40 0 HGABHN COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCN(Cc3cnn(C)c3C)C2)c1 ZINC000019694806 569346697 /nfs/dbraw/zinc/34/66/97/569346697.db2.gz XLIOXHQELHQURR-GOSISDBHSA-N 0 3 406.534 3.250 40 0 HGABHN COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3c(c21)CCCC3 ZINC000065748809 569393467 /nfs/dbraw/zinc/39/34/67/569393467.db2.gz DEZWFYYHJOWXBH-KRWDZBQOSA-N 0 3 410.514 3.464 40 0 in-vitro HGABHN Cc1cccc(CN2CCC(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)c1 ZINC000044857118 524385586 /nfs/dbraw/zinc/38/55/86/524385586.db2.gz YSNFTZCHFUASJS-GOSISDBHSA-N 0 3 414.571 3.488 40 0 HGABHN CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(Cl)c1 ZINC000044872801 525216298 /nfs/dbraw/zinc/21/62/98/525216298.db2.gz JKPAJURWHFYPSQ-UHFFFAOYSA-N 0 3 421.950 3.237 40 0 HGABHN COc1cc(C(=O)N2CCC[C@@H](N3CCc4ccccc4C3)C2)cc(OC)c1OC ZINC000408613128 557531252 /nfs/dbraw/zinc/53/12/52/557531252.db2.gz XNLLIYMBBDXPEM-HXUWFJFHSA-N 0 3 410.514 3.375 40 0 HGABHN Cc1cccnc1CNC(=O)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019752754 558272085 /nfs/dbraw/zinc/27/20/85/558272085.db2.gz JUKNPXLTVGMJJA-FQEVSTJZSA-N 0 3 401.514 3.490 40 0 HGABHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1cccc(OC)c1 ZINC000019819148 558289308 /nfs/dbraw/zinc/28/93/08/558289308.db2.gz SIEWFURZEXCNBN-GOSISDBHSA-N 0 3 412.417 3.273 40 0 HGABHN CC(=O)N1c2ccc([C@H](O)CN3CCC(O)(c4ccccc4C)CC3)cc2C[C@@H]1C ZINC000012146840 558338074 /nfs/dbraw/zinc/33/80/74/558338074.db2.gz KLVMYAZBIBJBJQ-MHECFPHRSA-N 0 3 408.542 3.310 40 0 HGABHN O=C(CN1CCCC1)N1CCC(c2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000012157806 558340940 /nfs/dbraw/zinc/34/09/40/558340940.db2.gz FFYWBFHDMBUKQI-UHFFFAOYSA-N 0 3 400.548 3.078 40 0 HGABHN CCC(=O)N1CCc2cc([C@@H](O)CN3CCC(O)(c4ccc(C)cc4)CC3)ccc21 ZINC000012181114 558342711 /nfs/dbraw/zinc/34/27/11/558342711.db2.gz LYYNOWRTTGYYLJ-QHCPKHFHSA-N 0 3 408.542 3.311 40 0 HGABHN CCc1nc2ccccc2c(=O)n1CC1(O)CCN(Cc2cccc(C)c2OC)CC1 ZINC000012187310 558346367 /nfs/dbraw/zinc/34/63/67/558346367.db2.gz IMYMVZKAKBTARB-UHFFFAOYSA-N 0 3 421.541 3.303 40 0 HGABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc4c(c3)CCO4)CC1)C[C@@H]2O ZINC000012329307 558384014 /nfs/dbraw/zinc/38/40/14/558384014.db2.gz YUPQQSBWLXTTIU-SFTDATJTSA-N 0 3 411.498 3.014 40 0 HGABHN O=c1c2cnc3nc(-c4ccccc4Cl)nn3c2ccn1CCN1CCCCC1 ZINC000020676959 558400279 /nfs/dbraw/zinc/40/02/79/558400279.db2.gz IJZVIGIWFRXAEJ-UHFFFAOYSA-N 0 3 408.893 3.246 40 0 HGABHN O=C1NCCN1CCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccccc32)CC1 ZINC000022463226 558490851 /nfs/dbraw/zinc/49/08/51/558490851.db2.gz GHAMYXPEZSUOCU-XZOQPEGZSA-N 0 3 408.521 3.045 40 0 in-man HGABHN COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000026842690 558665629 /nfs/dbraw/zinc/66/56/29/558665629.db2.gz DJPMACLZUPRZGW-UHFFFAOYSA-N 0 3 422.934 3.201 40 0 HGABHN COCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000039765902 558685924 /nfs/dbraw/zinc/68/59/24/558685924.db2.gz QMPNBTAVEXSULH-UHFFFAOYSA-N 0 3 409.530 3.222 40 0 HGABHN CCC(=O)N1CCc2cc([C@H](O)CN3CCC[C@](O)(c4ccccc4OC)C3)ccc21 ZINC000036740058 558801459 /nfs/dbraw/zinc/80/14/59/558801459.db2.gz BYBQVVZADSKVRJ-RCZVLFRGSA-N 0 3 424.541 3.011 40 0 HGABHN Cc1nn2cnnc2c(C)c1CCC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000036752679 558803008 /nfs/dbraw/zinc/80/30/08/558803008.db2.gz DKGBXUQEHJDOMY-OAQYLSRUSA-N 0 3 406.534 3.017 40 0 HGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000100919578 558805511 /nfs/dbraw/zinc/80/55/11/558805511.db2.gz CSAGVHLTZREPBO-FKBYEOEOSA-N 0 3 416.433 3.452 40 0 HGABHN Cn1ccnc1[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCN2C2CCCCC2)CC1 ZINC000019291297 558863849 /nfs/dbraw/zinc/86/38/49/558863849.db2.gz ATHZOPWLUAKWTM-XZOQPEGZSA-N 0 3 421.589 3.061 40 0 HGABHN OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCCN1Cc1ccccc1 ZINC000019371998 558879436 /nfs/dbraw/zinc/87/94/36/558879436.db2.gz VSUACZNVJHUADL-JOCHJYFZSA-N 0 3 418.545 3.270 40 0 HGABHN OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCCN1Cc1ccccc1 ZINC000019371995 558879569 /nfs/dbraw/zinc/87/95/69/558879569.db2.gz VSUACZNVJHUADL-QFIPXVFZSA-N 0 3 418.545 3.270 40 0 HGABHN O=C(c1cc(C2CCN(Cc3ccnc4ccccc34)CC2)no1)N1CCC[C@@H](O)C1 ZINC000019376063 558882160 /nfs/dbraw/zinc/88/21/60/558882160.db2.gz FXUKFYCALKXJAD-LJQANCHMSA-N 0 3 420.513 3.199 40 0 HGABHN CC(C)Oc1ccc(CN2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)cc1 ZINC000019450588 558888888 /nfs/dbraw/zinc/88/88/88/558888888.db2.gz YQHJQISOIHANGQ-UHFFFAOYSA-N 0 3 407.514 3.211 40 0 HGABHN CC(C)OC[C@H](O)CN1CCN(Cc2c3cccnc3[nH]c2-c2cccs2)CC1 ZINC000019450400 558888893 /nfs/dbraw/zinc/88/88/93/558888893.db2.gz UJEHQMZRGYUMAO-QGZVFWFLSA-N 0 3 414.575 3.195 40 0 HGABHN C[C@H](CCC(=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1)N1CCN(C)CC1 ZINC000019455590 558891904 /nfs/dbraw/zinc/89/19/04/558891904.db2.gz BGEWVEZQVKTWKK-VGOFRKELSA-N 0 3 400.954 3.357 40 0 HGABHN COc1ccccc1CN1CCC(c2n[nH]cc2C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000019497347 558896386 /nfs/dbraw/zinc/89/63/86/558896386.db2.gz DBYOCWTVEMLRTR-IRXDYDNUSA-N 0 3 412.534 3.047 40 0 HGABHN CCn1ncc(Cl)c1C(=O)NC1CCN(CC2(c3ccc(OC)cc3)CC2)CC1 ZINC000019523997 558905288 /nfs/dbraw/zinc/90/52/88/558905288.db2.gz KMBYSXYHSISSNU-UHFFFAOYSA-N 0 3 416.953 3.491 40 0 HGABHN COc1cc(C)c(CN2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)cc1C ZINC000019567258 558926804 /nfs/dbraw/zinc/92/68/04/558926804.db2.gz CEUJYWZYYPFXDK-UHFFFAOYSA-N 0 3 407.514 3.049 40 0 HGABHN CC(C)CC(=O)N1CCO[C@H](c2c3ccccc3sc2C(=O)NCCN(C)C)C1 ZINC000019697916 558965504 /nfs/dbraw/zinc/96/55/04/558965504.db2.gz FIEIGYOKHLAIRM-KRWDZBQOSA-N 0 3 417.575 3.139 40 0 HGABHN CC(C)COC(=O)NC1CC2(C1)CCN(Cc1ccnc(N3CCOCC3)c1)CC2 ZINC000585104331 559026981 /nfs/dbraw/zinc/02/69/81/559026981.db2.gz ZDMVBZUULMWTDQ-UHFFFAOYSA-N 0 3 416.566 3.045 40 0 HGABHN CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccc(OC)cc1)CC2 ZINC000096037020 559090763 /nfs/dbraw/zinc/09/07/63/559090763.db2.gz NWVLTLWEIOLXRV-UHFFFAOYSA-N 0 3 420.561 3.119 40 0 HGABHN COc1ccc(CN2CCC3(CC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000096051634 559092294 /nfs/dbraw/zinc/09/22/94/559092294.db2.gz ISBKUKVTICNGGW-NRFANRHFSA-N 0 3 400.544 3.418 40 0 HGABHN CN1CCN(C(=O)C[C@H]2CC3(CCN(Cc4ccncc4)CC3)c3ccccc32)CC1 ZINC000096052946 559092788 /nfs/dbraw/zinc/09/27/88/559092788.db2.gz PPMBBXHBSPQWDT-QFIPXVFZSA-N 0 3 418.585 3.267 40 0 HGABHN CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21 ZINC000096242212 559103822 /nfs/dbraw/zinc/10/38/22/559103822.db2.gz UNTNMVDYWZVLHU-SFHVURJKSA-N 0 3 409.530 3.009 40 0 HGABHN O=S(=O)(c1ccccc1)N1C[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC000096245398 559104993 /nfs/dbraw/zinc/10/49/93/559104993.db2.gz AMROHVSSEUFAAR-IRXDYDNUSA-N 0 3 410.461 3.458 40 0 HGABHN COc1ccc(CN2CCC(c3ccnc4c(C(=O)N5CCCC5)ncn43)CC2)cc1 ZINC000096267255 559108136 /nfs/dbraw/zinc/10/81/36/559108136.db2.gz VHXOXRSHKHVCIO-UHFFFAOYSA-N 0 3 419.529 3.354 40 0 HGABHN CSCC[C@@H](N)C(=O)N1CCC(c2nc(C)cc(Nc3ncc(C)s3)n2)CC1 ZINC000585263570 559112051 /nfs/dbraw/zinc/11/20/51/559112051.db2.gz QCJSWBMQUZEOSB-OAHLLOKOSA-N 0 3 420.608 3.080 40 0 HGABHN COc1cc(O)ccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000002526388 560861553 /nfs/dbraw/zinc/86/15/53/560861553.db2.gz ZCJHEORDHXCJNB-QGZVFWFLSA-N 0 3 422.481 3.444 40 0 endogenous,world HGABHN CCC(C)(C)n1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(C2CCCC2)CC1 ZINC000019499689 560873594 /nfs/dbraw/zinc/87/35/94/560873594.db2.gz YRTKSNLGIYOOAR-OAQYLSRUSA-N 0 3 412.582 3.476 40 0 HGABHN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020411331 560883830 /nfs/dbraw/zinc/88/38/30/560883830.db2.gz WRMKBSBJQCLVBI-PHJBHIMUSA-N 0 3 424.585 3.089 40 0 HGABHN CCOC(=O)[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242495180 568687499 /nfs/dbraw/zinc/68/74/99/568687499.db2.gz FYDSZLRCGNAQST-NLWGTHIKSA-N 0 3 407.919 3.096 40 0 HGABHN Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccccc2OCCN(C)C)n1 ZINC000257249157 568790110 /nfs/dbraw/zinc/79/01/10/568790110.db2.gz JHAKNGWPGAMZAV-OAQYLSRUSA-N 0 3 419.529 3.493 40 0 HGABHN Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N(C)[C@H]3Cc2ccccc2)nc(N)n1 ZINC000257250690 568790477 /nfs/dbraw/zinc/79/04/77/568790477.db2.gz JNOCMPQXDGNCOP-NABGWTBKSA-N 0 3 405.546 3.066 40 0 HGABHN O=C(c1ccccc1CN1CCCC1)N1CCOC[C@H](Cc2ccc3nccn3c2)C1 ZINC000257275025 568797154 /nfs/dbraw/zinc/79/71/54/568797154.db2.gz NNQWZXUQZULSPF-OAQYLSRUSA-N 0 3 418.541 3.261 40 0 HGABHN Cc1cc(OC[C@H](O)CNC[C@H](O)COc2ccc(Cl)c(C)c2)ccc1Cl ZINC000002685830 568800848 /nfs/dbraw/zinc/80/08/48/568800848.db2.gz BTNURVOOMFXKRL-IYBDPMFKSA-N 0 3 414.329 3.379 40 0 HGABHN CS(=O)(=O)N1CCC(N2CCC[C@@H](c3ncc(Cc4ccccc4F)o3)C2)CC1 ZINC000257303255 568805512 /nfs/dbraw/zinc/80/55/12/568805512.db2.gz SGJZJLPYZCZOOF-QGZVFWFLSA-N 0 3 421.538 3.008 40 0 HGABHN COc1ccc(NC(=O)CN2CC[C@@H](c3ccc4c(n[nH]c4NC(C)C)n3)C2)cc1 ZINC000257344931 568817578 /nfs/dbraw/zinc/81/75/78/568817578.db2.gz ZZHFKSKXDPCCDW-OAHLLOKOSA-N 0 3 408.506 3.215 40 0 HGABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1C2 ZINC000306143048 568904793 /nfs/dbraw/zinc/90/47/93/568904793.db2.gz XRTUHKRTKKHDMO-DLBZAZTESA-N 0 3 407.905 3.488 40 0 HGABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000242592419 568967866 /nfs/dbraw/zinc/96/78/66/568967866.db2.gz OTWBSRSMBMOJHH-GUDVDZBRSA-N 0 3 424.360 3.370 40 0 HGABHN CN(C)CCNc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000329047713 568974607 /nfs/dbraw/zinc/97/46/07/568974607.db2.gz UGPRIZXBJVVZFF-UHFFFAOYSA-N 0 3 402.424 3.118 40 0 HGABHN CN(C)CCNc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000329070539 568975914 /nfs/dbraw/zinc/97/59/14/568975914.db2.gz ZHMRRXCKAUWPMX-UHFFFAOYSA-N 0 3 402.424 3.118 40 0 HGABHN COc1ccccc1[C@]1(O)CCCN(C[C@H](O)c2ccc3c(c2)CCCN3C(C)=O)C1 ZINC000247935415 569315859 /nfs/dbraw/zinc/31/58/59/569315859.db2.gz LFWQSCDXWXCRGA-ZCYQVOJMSA-N 0 3 424.541 3.011 40 0 HGABHN Cc1cccc(CC(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@H]2CN(C)C)c1 ZINC000248102754 569316189 /nfs/dbraw/zinc/31/61/89/569316189.db2.gz IBKPXISGUJYBEX-BJKOFHAPSA-N 0 3 421.585 3.353 40 0 HGABHN COc1ccc2c(c1)C(=O)N[C@]1(CCN([C@H](C)Cc3ccc(OC)c(OC)c3)C1)CC2 ZINC000248197042 569316701 /nfs/dbraw/zinc/31/67/01/569316701.db2.gz QTGUMDXHONAXJW-NSYGIPOTSA-N 0 3 424.541 3.464 40 0 HGABHN CCOc1cc2c(cc1CN1C[C@H]3CCC[C@@H](C1)C3(O)c1nccn1C)O[C@@H](C)C2 ZINC000019532414 569345658 /nfs/dbraw/zinc/34/56/58/569345658.db2.gz LVTZFZLXQGDXST-REXDCOFWSA-N 0 3 411.546 3.262 40 0 HGABHN O=C(CN1CC[C@H](c2cc(COc3cccc(F)c3)n[nH]2)C1)NC1CCCCC1 ZINC000019738950 569348632 /nfs/dbraw/zinc/34/86/32/569348632.db2.gz WUFGHLVCPNVGDZ-INIZCTEOSA-N 0 3 400.498 3.366 40 0 HGABHN CNc1cc(CN(C)C(=O)c2c(C)onc2-c2ccc(C)cc2)nc([C@H]2CCCN2)n1 ZINC000019760765 569348884 /nfs/dbraw/zinc/34/88/84/569348884.db2.gz JZKAPTUUOPWIPF-GOSISDBHSA-N 0 3 420.517 3.487 40 0 HGABHN CN(C)CCNc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccccn2)n1 ZINC000329028457 571304567 /nfs/dbraw/zinc/30/45/67/571304567.db2.gz PUVVBSUBNKFAAR-UHFFFAOYSA-N 0 3 400.433 3.857 40 0 HGABHN CCCNC(=O)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccccc2OC)nn1C ZINC000008635304 291234063 /nfs/dbraw/zinc/23/40/63/291234063.db2.gz GZOLYWLIDPVPND-SCTDSRPQSA-N 0 3 412.534 3.410 40 0 biogenic,in-vitro HGABHN CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccco2)C1 ZINC000004237216 291235084 /nfs/dbraw/zinc/23/50/84/291235084.db2.gz QRJNAJVMNHPQNL-PKOBYXMFSA-N 0 3 417.509 3.429 40 0 biogenic,in-vitro HGABHN COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)N(C2CCN(C)CC2)C3)cc1 ZINC000096111883 291239863 /nfs/dbraw/zinc/23/98/63/291239863.db2.gz MRPSMBGLWKHNPA-GMAHTHKFSA-N 0 3 421.541 3.158 40 0 biogenic,in-vitro HGABHN O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008298752 291243456 /nfs/dbraw/zinc/24/34/56/291243456.db2.gz SNGPEIJZWGGCBQ-NNWRFLSQSA-N 0 3 419.504 3.111 40 0 biogenic,in-vitro HGABHN COc1cc(CNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000044917608 522408405 /nfs/dbraw/zinc/40/84/05/522408405.db2.gz YDXOGENVTHPKOX-UHFFFAOYSA-N 0 3 416.493 3.380 40 0 HGABHN Fc1ccccc1[C@H](c1nnnn1Cc1ccco1)N1CCN(C2CCCCC2)CC1 ZINC000035291467 557678743 /nfs/dbraw/zinc/67/87/43/557678743.db2.gz HWSXXKXNLPWJOI-JOCHJYFZSA-N 0 3 424.524 3.493 40 0 HGABHN Cc1nc([C@@H]2CCCN(C3CCOCC3)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 ZINC000019743898 558264515 /nfs/dbraw/zinc/26/45/15/558264515.db2.gz JNOAGOXEXPKRTP-GOSISDBHSA-N 0 3 424.520 3.372 40 0 HGABHN CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCCOC[C@@H]3CCCO3)cc12 ZINC000012186392 558345502 /nfs/dbraw/zinc/34/55/02/558345502.db2.gz UCUXFJOTAYCLKG-IBGZPJMESA-N 0 3 424.545 3.297 40 0 HGABHN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000012329339 558383978 /nfs/dbraw/zinc/38/39/78/558383978.db2.gz ZUOGIJIWJSTVCM-VQTJNVASSA-N 0 3 411.498 3.150 40 0 HGABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(Cl)cc1 ZINC000020636724 558396228 /nfs/dbraw/zinc/39/62/28/558396228.db2.gz BTTVJVNEYUYKJL-OALUTQOASA-N 0 3 411.889 3.105 40 0 HGABHN Cc1ccc2c(c1)C(=O)N(CC(=O)N1[C@H](C)CCC[C@@H]1C)CC1(CCN(C)CC1)O2 ZINC000019218469 558851221 /nfs/dbraw/zinc/85/12/21/558851221.db2.gz SHTBAZSEAGKXML-KDURUIRLSA-N 0 3 413.562 3.084 40 0 HGABHN Cc1nc2cc(C)ccn2c1CN1C[C@@H](c2cccnc2)[C@]2(C1)CCCCC(=O)N2 ZINC000019238151 558857162 /nfs/dbraw/zinc/85/71/62/558857162.db2.gz HICKTCRAJLJVKG-GBXCKJPGSA-N 0 3 403.530 3.375 40 0 HGABHN Cn1ccnc1[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCN2C2CCCCC2)CC1 ZINC000019291298 558863863 /nfs/dbraw/zinc/86/38/63/558863863.db2.gz ATHZOPWLUAKWTM-PKTZIBPZSA-N 0 3 421.589 3.061 40 0 HGABHN O=C1CCC[C@]2(CN(Cc3cccc(Oc4ncccn4)c3)C[C@H]2c2ccncc2)N1 ZINC000019331025 558868252 /nfs/dbraw/zinc/86/82/52/558868252.db2.gz FOZCHLCVMURYEW-XUZZJYLKSA-N 0 3 415.497 3.302 40 0 HGABHN O=c1[n-]c(-c2ccncc2)nc2c1CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000019334475 558869424 /nfs/dbraw/zinc/86/94/24/558869424.db2.gz AJBYQTIWVLNOSG-UHFFFAOYSA-N 0 3 416.403 3.331 40 0 HGABHN O=c1[n-]c(-c2ccncc2)nc2c1CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000019334475 558869426 /nfs/dbraw/zinc/86/94/26/558869426.db2.gz AJBYQTIWVLNOSG-UHFFFAOYSA-N 0 3 416.403 3.331 40 0 HGABHN O=c1ccc(-c2ccc(F)c(F)c2)nn1CC1(O)CCN(Cc2cccs2)CC1 ZINC000019343398 558872569 /nfs/dbraw/zinc/87/25/69/558872569.db2.gz HQDMGQCGQGJDFU-UHFFFAOYSA-N 0 3 417.481 3.277 40 0 HGABHN O=C(NCC1CCOCC1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372551 558879791 /nfs/dbraw/zinc/87/97/91/558879791.db2.gz LVOHTHWVKFXQRB-DHIUTWEWSA-N 0 3 424.516 3.299 40 0 HGABHN COc1ccc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c(OC)c1 ZINC000019552272 558915854 /nfs/dbraw/zinc/91/58/54/558915854.db2.gz BQIGBAVPBIFVPF-RRQGHBQHSA-N 0 3 407.465 3.198 40 0 HGABHN COc1ccc(CC(=O)N2C[C@@H]3CCCCN(Cc4cccnc4)[C@@H]3C2)cc1OC ZINC000019560563 558921609 /nfs/dbraw/zinc/92/16/09/558921609.db2.gz PYKTVKKFQOFWAH-LEWJYISDSA-N 0 3 409.530 3.154 40 0 HGABHN Cc1nc(-c2cccnc2)sc1C(=O)N(CCN(C)C)Cc1ccc2c(c1)OCO2 ZINC000019561060 558921978 /nfs/dbraw/zinc/92/19/78/558921978.db2.gz YQDJIYWWCZKTDM-UHFFFAOYSA-N 0 3 424.526 3.446 40 0 HGABHN COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2NC(=O)c2cccnc2)cc1OC ZINC000019561454 558922222 /nfs/dbraw/zinc/92/22/22/558922222.db2.gz QYKGLFGXTAEHLU-YADHBBJMSA-N 0 3 417.509 3.497 40 0 HGABHN COc1ccc(CN2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)cc1 ZINC000019584754 558938844 /nfs/dbraw/zinc/93/88/44/558938844.db2.gz GAVTZTCUUJJHDJ-UHFFFAOYSA-N 0 3 404.518 3.388 40 0 HGABHN COc1ccc(CN2CCC(CNC(=O)[C@@H](C)n3nc4ccccc4n3)CC2)cc1 ZINC000072347502 558944462 /nfs/dbraw/zinc/94/44/62/558944462.db2.gz VFGWNKGVGHRDNC-QGZVFWFLSA-N 0 3 407.518 3.029 40 0 HGABHN Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(CCC(=O)N3CCOCC3)C2)n1 ZINC000072374864 558963045 /nfs/dbraw/zinc/96/30/45/558963045.db2.gz XVGBFDDQVYPTIF-FQEVSTJZSA-N 0 3 423.561 3.265 40 0 HGABHN Cc1cc(CN2CCC[C@@]3(CCCN3C(=O)COc3ccccc3C)CC2)n(C)n1 ZINC000585100113 559023821 /nfs/dbraw/zinc/02/38/21/559023821.db2.gz FVJDDEWACKOBFN-XMMPIXPASA-N 0 3 410.562 3.463 40 0 HGABHN COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CN3C[C@H](C)c3ccccc3)C2)c1 ZINC000585107932 559029693 /nfs/dbraw/zinc/02/96/93/559029693.db2.gz GQDSFXBAETZEBS-LQBOVUBWSA-N 0 3 400.544 3.194 40 0 HGABHN CC(C)CN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3cccnc3)[C@H]2CC1 ZINC000096145882 559097665 /nfs/dbraw/zinc/09/76/65/559097665.db2.gz MZCOROQTPATZPT-PMACEKPBSA-N 0 3 415.559 3.154 40 0 HGABHN COc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)[C@H](N)C(C)C)CC[C@@H]3O[C@H]21 ZINC000585261629 559108984 /nfs/dbraw/zinc/10/89/84/559108984.db2.gz GTMTVRUSDCHBBM-AYBQMASMSA-N 0 3 402.535 3.144 40 0 HGABHN CCOCCOc1ccc(CN(C)C[C@H](O)COc2ccccc2OCC)cc1 ZINC000585269790 559116158 /nfs/dbraw/zinc/11/61/58/559116158.db2.gz JMLQAHPVHMBPIH-FQEVSTJZSA-N 0 3 403.519 3.372 40 0 HGABHN Cc1nc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/CN(C)C)C3)nc(C)n2)sc1C ZINC000585292977 559125454 /nfs/dbraw/zinc/12/54/54/559125454.db2.gz VFBYWAOFRNUGPF-UGAXZCSASA-N 0 3 414.579 3.426 40 0 HGABHN CN1CCC(N2CCOC[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)c[nH]2)CC1 ZINC000072321973 560076417 /nfs/dbraw/zinc/07/64/17/560076417.db2.gz YVTMUKMGCVUPLP-SFHVURJKSA-N 0 3 410.440 3.443 40 0 biogenic,in-vitro HGABHN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)nc1 ZINC000223257213 568542864 /nfs/dbraw/zinc/54/28/64/568542864.db2.gz VSOVMBPFTUPYMW-NHCUHLMSSA-N 0 3 406.559 3.110 40 0 HGABHN COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223259444 568542966 /nfs/dbraw/zinc/54/29/66/568542966.db2.gz OWLCDXYZENVUOK-FGZHOGPDSA-N 0 3 421.570 3.415 40 0 HGABHN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1C[C@H]1CCCO1 ZINC000260925527 568744396 /nfs/dbraw/zinc/74/43/96/568744396.db2.gz VAWSLDHIIGMQII-UIFIKXQLSA-N 0 3 405.527 3.419 40 0 HGABHN COc1cccc(Nc2cc(C)nc([C@H]3CCCN(CC(=O)N4CCCC4=O)C3)c2)c1 ZINC000257305683 568806369 /nfs/dbraw/zinc/80/63/69/568806369.db2.gz SRAKYJMOUAZRQF-SFHVURJKSA-N 0 3 422.529 3.471 40 0 HGABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)cc1 ZINC000257306253 568806371 /nfs/dbraw/zinc/80/63/71/568806371.db2.gz STLVSHDLVFKOOI-MRXNPFEDSA-N 0 3 404.536 3.128 40 0 HGABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218587620 568882551 /nfs/dbraw/zinc/88/25/51/568882551.db2.gz OMBKGVQRHQKMII-BJLQDIEVSA-N 0 3 407.919 3.096 40 0 HGABHN Cn1cc(CNC[C@@H]2CC[C@@H]3CN(C(=O)c4ccccc4)c4ccccc4CN32)cn1 ZINC000306135232 568897188 /nfs/dbraw/zinc/89/71/88/568897188.db2.gz OLJKWZVTIQXYAM-XZOQPEGZSA-N 0 3 415.541 3.203 40 0 HGABHN CC(C)n1cnc([C@H]2CN(Cc3ccoc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306139497 568901385 /nfs/dbraw/zinc/90/13/85/568901385.db2.gz SYUOOOSTIYWNKI-QPPBQGQZSA-N 0 3 419.529 3.470 40 0 HGABHN CCN1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2N)CC1 ZINC000226263315 569278904 /nfs/dbraw/zinc/27/89/04/569278904.db2.gz MTAPFUZAQADQSE-UHFFFAOYSA-N 0 3 403.324 3.426 40 0 HGABHN C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCC(C)CC2)CC3)C1 ZINC000248106443 569316214 /nfs/dbraw/zinc/31/62/14/569316214.db2.gz LRJJRJGCDCTXNE-BPJBSSMVSA-N 0 3 412.578 3.481 40 0 HGABHN C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCC(C)CC2)CC3)C1 ZINC000248106443 569316216 /nfs/dbraw/zinc/31/62/16/569316216.db2.gz LRJJRJGCDCTXNE-BPJBSSMVSA-N 0 3 412.578 3.481 40 0 HGABHN COC(=O)c1cc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc(C(=O)OC)c1 ZINC000010330170 569343818 /nfs/dbraw/zinc/34/38/18/569343818.db2.gz ZJOZLWRJSZBZCJ-UHFFFAOYSA-N 0 3 410.470 3.498 40 0 HGABHN CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)CCCc1ccc(F)c(C)c1)C2 ZINC000019707103 569428681 /nfs/dbraw/zinc/42/86/81/569428681.db2.gz HILIJDBJUFKKOM-IBGZPJMESA-N 0 3 411.525 3.298 40 0 HGABHN CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NC3CC3)nn2)cc1 ZINC000008299314 291232589 /nfs/dbraw/zinc/23/25/89/291232589.db2.gz JWMPKVTVDWZPQJ-WMQCIHAUSA-N 0 3 407.562 3.232 40 0 biogenic,in-vitro HGABHN COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNCc3ccccn3)n(C)n2)cc1 ZINC000035415785 291239166 /nfs/dbraw/zinc/23/91/66/291239166.db2.gz WCHARQISNPPODC-WPYKKVEZSA-N 0 3 417.557 3.458 40 0 biogenic,in-vitro HGABHN O[C@@H](CN1CCC[C@](O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000036719509 527648295 /nfs/dbraw/zinc/64/82/95/527648295.db2.gz FXGUBIVSHDAYFI-NZQKXSOJSA-N 0 3 401.478 3.394 40 0 HGABHN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccncc1 ZINC000408549879 557396876 /nfs/dbraw/zinc/39/68/76/557396876.db2.gz ATBJIJQGHGQJHQ-LDADJPATSA-N 0 3 410.499 3.148 40 0 HGABHN COc1cc2c(cc1CN1CCC[C@H](c3ccc4c(C)nn(C)c4n3)C1)OCCO2 ZINC000019742506 558262960 /nfs/dbraw/zinc/26/29/60/558262960.db2.gz GJCBPPIJSHTOMO-INIZCTEOSA-N 0 3 408.502 3.436 40 0 HGABHN CC1CCN(CC(=O)N2CCC[C@@H](N(C)C(=O)c3nccc4ccccc43)CC2)CC1 ZINC000019749771 558269491 /nfs/dbraw/zinc/26/94/91/558269491.db2.gz FYANTWYEBJXMQB-OAQYLSRUSA-N 0 3 422.573 3.420 40 0 HGABHN Cc1nc(C2CCN(C(=O)C3CCN(C)CC3)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019765860 558278250 /nfs/dbraw/zinc/27/82/50/558278250.db2.gz GYWTXARFXUOGBZ-UHFFFAOYSA-N 0 3 421.545 3.085 40 0 HGABHN C[C@H]1C[C@H](C)CN(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182725 558343644 /nfs/dbraw/zinc/34/36/44/558343644.db2.gz XUWNGOZYVZDLIU-STEAMIEHSA-N 0 3 402.539 3.365 40 0 HGABHN COc1cccc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)c1 ZINC000012186601 558345706 /nfs/dbraw/zinc/34/57/06/558345706.db2.gz HWKNCQKQDZCGEA-UHFFFAOYSA-N 0 3 411.527 3.008 40 0 HGABHN CCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc(OC)cc2O3)cc1 ZINC000012329557 558384189 /nfs/dbraw/zinc/38/41/89/558384189.db2.gz KZNDCZVLIGJBAR-FCHUYYIVSA-N 0 3 413.514 3.478 40 0 HGABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1cccc(Cl)c1 ZINC000020637002 558396380 /nfs/dbraw/zinc/39/63/80/558396380.db2.gz XSFXNOYACYLDOM-RTBURBONSA-N 0 3 411.889 3.105 40 0 HGABHN CCOC(=O)C1=C([O-])NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000020637002 558396383 /nfs/dbraw/zinc/39/63/83/558396383.db2.gz XSFXNOYACYLDOM-RTBURBONSA-N 0 3 411.889 3.105 40 0 HGABHN COCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030940027 558745350 /nfs/dbraw/zinc/74/53/50/558745350.db2.gz PUPWYGIJZYYFCV-GOSISDBHSA-N 0 3 413.493 3.053 40 0 HGABHN CC1(C)NC(=N)NC(=N)N1c1ccc(OCCCOc2ccccc2)c(Cl)c1 ZINC000016951318 558809632 /nfs/dbraw/zinc/80/96/32/558809632.db2.gz UTCUREXCXPTEBS-UHFFFAOYSA-N 0 3 401.898 3.373 40 0 HGABHN Cc1cc2c(cc1CN1CCC([C@H](NC(=O)C(F)F)c3ccccn3)CC1)OCO2 ZINC000019125524 558844562 /nfs/dbraw/zinc/84/45/62/558844562.db2.gz IZBXWIVYGCNIOY-FQEVSTJZSA-N 0 3 417.456 3.453 40 0 HGABHN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)CN3CCCCCC3)C1)N2 ZINC000019127898 558844939 /nfs/dbraw/zinc/84/49/39/558844939.db2.gz NQFJABAXMBTGRU-OKZBNKHCSA-N 0 3 409.525 3.297 40 0 HGABHN Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1CN(Cc1cccc(OC[C@@H]3CCCO3)c1)C2 ZINC000019291397 558863935 /nfs/dbraw/zinc/86/39/35/558863935.db2.gz VBYBSMIWUJDFDW-XTBGBBATSA-N 0 3 411.546 3.098 40 0 HGABHN O=C(c1cccc(F)c1)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCCC2)CC3)C1 ZINC000019293509 558865228 /nfs/dbraw/zinc/86/52/28/558865228.db2.gz KDUVALPNFJAUQW-KRWDZBQOSA-N 0 3 424.520 3.230 40 0 HGABHN O=C(c1cccc(F)c1)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCCC2)CC3)C1 ZINC000019293509 558865232 /nfs/dbraw/zinc/86/52/32/558865232.db2.gz KDUVALPNFJAUQW-KRWDZBQOSA-N 0 3 424.520 3.230 40 0 HGABHN O=c1[n-]c(-c2cccnc2)nc2c1CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000019341186 558871864 /nfs/dbraw/zinc/87/18/64/558871864.db2.gz RDBCHOQYNMNQKF-UHFFFAOYSA-N 0 3 416.403 3.331 40 0 HGABHN O=c1[n-]c(-c2cccnc2)nc2c1CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000019341186 558871865 /nfs/dbraw/zinc/87/18/65/558871865.db2.gz RDBCHOQYNMNQKF-UHFFFAOYSA-N 0 3 416.403 3.331 40 0 HGABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@@H]3CC[N@@H+](C4CCCCC4)C3)nc2C1 ZINC000019347676 558874041 /nfs/dbraw/zinc/87/40/41/558874041.db2.gz QVCFFIRGGUVORS-MRXNPFEDSA-N 0 3 424.520 3.230 40 0 HGABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@@H]3CC[N@H+](C4CCCCC4)C3)nc2C1 ZINC000019347676 558874043 /nfs/dbraw/zinc/87/40/43/558874043.db2.gz QVCFFIRGGUVORS-MRXNPFEDSA-N 0 3 424.520 3.230 40 0 HGABHN c1csc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(C3CCCC3)CC2)c1 ZINC000019369680 558878126 /nfs/dbraw/zinc/87/81/26/558878126.db2.gz KOWCBGMLPKRVKM-OAQYLSRUSA-N 0 3 408.575 3.433 40 0 HGABHN O=C(CCc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019370660 558878807 /nfs/dbraw/zinc/87/88/07/558878807.db2.gz NDXYHRBOCASWKL-IBGZPJMESA-N 0 3 420.557 3.019 40 0 HGABHN O=C(CCc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019370660 558878809 /nfs/dbraw/zinc/87/88/09/558878809.db2.gz NDXYHRBOCASWKL-IBGZPJMESA-N 0 3 420.557 3.019 40 0 HGABHN O=C(c1cc(C2CCN(Cc3ccnc4ccccc34)CC2)no1)N1CCC[C@H](O)C1 ZINC000019376064 558882147 /nfs/dbraw/zinc/88/21/47/558882147.db2.gz FXUKFYCALKXJAD-IBGZPJMESA-N 0 3 420.513 3.199 40 0 HGABHN C[C@@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCC2)CC3)C1)c1ccccc1 ZINC000019459047 558892854 /nfs/dbraw/zinc/89/28/54/558892854.db2.gz YYJCLXCWYJGYRM-MJGOQNOKSA-N 0 3 420.557 3.190 40 0 HGABHN C[C@@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCC2)CC3)C1)c1ccccc1 ZINC000019459047 558892856 /nfs/dbraw/zinc/89/28/56/558892856.db2.gz YYJCLXCWYJGYRM-MJGOQNOKSA-N 0 3 420.557 3.190 40 0 HGABHN CCCC(=O)NCCn1nc(C2CCN(Cc3cccc(C)n3)CC2)c2cccnc21 ZINC000019501756 558899946 /nfs/dbraw/zinc/89/99/46/558899946.db2.gz ZPEYCZOHJGYFQJ-UHFFFAOYSA-N 0 3 420.561 3.431 40 0 HGABHN CCc1n[nH]c(C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)c1C ZINC000019520983 558902202 /nfs/dbraw/zinc/90/22/02/558902202.db2.gz MCUQAGGBKHYLRU-UHFFFAOYSA-N 0 3 424.524 3.215 40 0 HGABHN CCN1CCN(CC2=CCCOC2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527751 558908874 /nfs/dbraw/zinc/90/88/74/558908874.db2.gz XPTXSBFDJQLNKG-QHCPKHFHSA-N 0 3 405.542 3.418 40 0 HGABHN CCN1CCN(CCNc2ncc(-c3cccs3)c(-c3nccs3)n2)CC1 ZINC000019528207 558909202 /nfs/dbraw/zinc/90/92/02/558909202.db2.gz SIEYFTUUYCRALF-UHFFFAOYSA-N 0 3 400.577 3.378 40 0 HGABHN CC(=O)Oc1ccc(CN2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)cc1 ZINC000072337255 558937637 /nfs/dbraw/zinc/93/76/37/558937637.db2.gz PUIHOLDBFANANU-UHFFFAOYSA-N 0 3 424.545 3.235 40 0 HGABHN Cc1ncc(CN2CC[C@H](c3c4ccccc4sc3C(=O)NCCO)C2)s1 ZINC000072352328 558948492 /nfs/dbraw/zinc/94/84/92/558948492.db2.gz PWMLGUMJECTREG-AWEZNQCLSA-N 0 3 401.557 3.378 40 0 HGABHN NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCCN2CCOc2ccc(F)cc2)c1 ZINC000072354863 558952223 /nfs/dbraw/zinc/95/22/23/558952223.db2.gz BVEGNPDYVWTMHG-HXUWFJFHSA-N 0 3 421.476 3.180 40 0 HGABHN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)CN4CCCC4)C3)c2)n1 ZINC000072374933 558963461 /nfs/dbraw/zinc/96/34/61/558963461.db2.gz IGSWKSLPXQTAFO-LJQANCHMSA-N 0 3 408.550 3.342 40 0 HGABHN CC(=O)N1CCc2nc(C3CCN(C)CC3)nc(N3CCC(C(C)(C)C)CC3)c2C1 ZINC000019710506 558972707 /nfs/dbraw/zinc/97/27/07/558972707.db2.gz BANRCDLCCLQYTE-UHFFFAOYSA-N 0 3 413.610 3.453 40 0 HGABHN Cc1cccc(CC(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@@H]2CN(C)C)c1 ZINC000072394719 558973597 /nfs/dbraw/zinc/97/35/97/558973597.db2.gz IBKPXISGUJYBEX-ZEQRLZLVSA-N 0 3 421.585 3.353 40 0 HGABHN COCCOc1ccc(CN2C[C@H]3[C@H](CC[C@]3(O)c3ncccc3C)C2)cc1OC ZINC000072395309 558974100 /nfs/dbraw/zinc/97/41/00/558974100.db2.gz VHOBBQBYLMXTOW-JXALWOEJSA-N 0 3 412.530 3.153 40 0 HGABHN Cc1ccc(OCCN2CCCC2)c(NC(=O)c2cnc3c(C)cccn3c2=O)c1 ZINC000019714709 558975036 /nfs/dbraw/zinc/97/50/36/558975036.db2.gz ZYZUGCBUVVENNH-UHFFFAOYSA-N 0 3 406.486 3.038 40 0 HGABHN COc1ccc(F)c(CN2C[C@H]3c4ccccc4[C@@H](NC(=O)c4ccnn4C)[C@H]3C2)c1 ZINC000585109821 559029522 /nfs/dbraw/zinc/02/95/22/559029522.db2.gz XMQXIPNQDJSZLE-SXWKCWPCSA-N 0 3 420.488 3.268 40 0 HGABHN CN1CCN(C(=O)C[C@H]2CC3(CCN(Cc4ccccn4)CC3)c3ccccc32)CC1 ZINC000096052942 559092793 /nfs/dbraw/zinc/09/27/93/559092793.db2.gz MIIXEGRINMIQGT-NRFANRHFSA-N 0 3 418.585 3.267 40 0 HGABHN CN(C)[C@@H]1CCN(C(=O)c2cnc(-c3noc4cc(N5CCCC5)ccc43)s2)C1 ZINC000096154561 559098984 /nfs/dbraw/zinc/09/89/84/559098984.db2.gz LLPKYXBEAOCCON-OAHLLOKOSA-N 0 3 411.531 3.328 40 0 HGABHN CCCc1cnc(Nc2cc(C)nc(C3CCN(C(=O)C(C)(C)N)CC3)n2)s1 ZINC000585263632 559112064 /nfs/dbraw/zinc/11/20/64/559112064.db2.gz XAMHVCFHZZYLLB-UHFFFAOYSA-N 0 3 402.568 3.381 40 0 HGABHN Cc1[nH]nc2c1C(c1cnn(C)c1)c1c3nc(-c4c[nH]c5ccccc45)nn3cnc1O2 ZINC000017093521 559122752 /nfs/dbraw/zinc/12/27/52/559122752.db2.gz QSUMCHWOISDNTG-QGZVFWFLSA-N 0 3 423.440 3.324 40 0 HGABHN Cc1csc(Nc2cc([C@@H]3CCCCN3C(=O)/C=C/CN(C)C)nc(C)n2)n1 ZINC000585291725 559123970 /nfs/dbraw/zinc/12/39/70/559123970.db2.gz FJBWDIOXXVTRJQ-LKUPDRCFSA-N 0 3 400.552 3.465 40 0 HGABHN OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)CN1Cc1ccc(OCC2(O)CCCCC2)cc1 ZINC000585292987 559125520 /nfs/dbraw/zinc/12/55/20/559125520.db2.gz QPNCVKMUUPEWAS-WXFUMESZSA-N 0 3 411.542 3.082 40 0 HGABHN Cc1nc(Nc2cc([C@@H]3CCN(C(=O)/C=C/CN(C)C)C3)nc(C)n2)sc1C ZINC000585293289 559125832 /nfs/dbraw/zinc/12/58/32/559125832.db2.gz ZCPYXTHANVMGQK-FYCOFBDGSA-N 0 3 400.552 3.036 40 0 HGABHN COc1cc(CN(C)C[C@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OCCO ZINC000257281938 559285350 /nfs/dbraw/zinc/28/53/50/559285350.db2.gz OROJXPXWYWZJHP-FQEVSTJZSA-N 0 3 412.530 3.131 40 0 HGABHN O=S(=O)(c1ccc2ccccc2c1)N(C[C@@H](O)CN1CCCC1)c1ccccc1 ZINC000005023388 560623715 /nfs/dbraw/zinc/62/37/15/560623715.db2.gz XVHAYCWRZDGZFG-QFIPXVFZSA-N 0 3 410.539 3.492 40 0 HGABHN c1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019372837 560872505 /nfs/dbraw/zinc/87/25/05/560872505.db2.gz OEFNWPHOLYOALC-HSZRJFAPSA-N 0 3 402.546 3.371 40 0 HGABHN CCOc1cc(CNCc2ccc(OC)cc2)cc(Br)c1OCC(N)=O ZINC000022076765 568473702 /nfs/dbraw/zinc/47/37/02/568473702.db2.gz MIIZHOPJFYXOOT-UHFFFAOYSA-N 0 3 423.307 3.010 40 0 HGABHN O=C(NCc1nc(-c2cccs2)no1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222600536 568520011 /nfs/dbraw/zinc/52/00/11/568520011.db2.gz IMDVUHVUWVASDA-HNNXBMFYSA-N 0 3 400.479 3.466 40 0 HGABHN COC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)ccc1C ZINC000224850404 568600139 /nfs/dbraw/zinc/60/01/39/568600139.db2.gz QXFTYCULSSVQEW-UHFFFAOYSA-N 0 3 416.543 3.246 40 0 HGABHN Cc1ccc(C(=O)NCCN2C[C@H](C)C[C@H](C)C2)c(I)c1 ZINC000225027956 568609995 /nfs/dbraw/zinc/60/99/95/568609995.db2.gz KMXVAALSWALYKU-OKILXGFUSA-N 0 3 400.304 3.307 40 0 HGABHN CCOC(=O)[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000225661674 568778376 /nfs/dbraw/zinc/77/83/76/568778376.db2.gz FYDSZLRCGNAQST-HBFSDRIKSA-N 0 3 407.919 3.096 40 0 HGABHN Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccccc2OCCN(C)C)n1 ZINC000257249156 568790116 /nfs/dbraw/zinc/79/01/16/568790116.db2.gz JHAKNGWPGAMZAV-NRFANRHFSA-N 0 3 419.529 3.493 40 0 HGABHN Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(OCCN(C)C)cc2)n1 ZINC000257251744 568790719 /nfs/dbraw/zinc/79/07/19/568790719.db2.gz JSBCNQOAAPTHGD-JOCHJYFZSA-N 0 3 419.529 3.493 40 0 HGABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218533753 568880726 /nfs/dbraw/zinc/88/07/26/568880726.db2.gz SRMQAWYJNWDINO-CMKODMSKSA-N 0 3 407.919 3.096 40 0 HGABHN CN1Cc2nnc(-c3cccs3)n2C2(CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000306124170 568887286 /nfs/dbraw/zinc/88/72/86/568887286.db2.gz BIEZRSAVDWXYBJ-UHFFFAOYSA-N 0 3 423.542 3.172 40 0 HGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccco3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306125589 568888433 /nfs/dbraw/zinc/88/84/33/568888433.db2.gz CVBLCHSCFSZWEY-XUZZJYLKSA-N 0 3 419.529 3.470 40 0 HGABHN Cc1nn(C)c(C)c1CN1CC[C@]2(C1)COCc1cnc(NCc3ccccc3)nc12 ZINC000306127124 568890034 /nfs/dbraw/zinc/89/00/34/568890034.db2.gz FOZIKEHBVLRNFK-DEOSSOPVSA-N 0 3 418.545 3.113 40 0 HGABHN O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306132050 568894431 /nfs/dbraw/zinc/89/44/31/568894431.db2.gz KWOZQSAPOSINPM-MOPGFXCFSA-N 0 3 421.932 3.166 40 0 HGABHN c1nc2ncc(-c3cccnc3)nc2n1C1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000306132460 568894611 /nfs/dbraw/zinc/89/46/11/568894611.db2.gz LJUJRNNCFBGUKL-UHFFFAOYSA-N 0 3 414.469 3.454 40 0 HGABHN O=C(NC1CCCCC1)c1nnc2n1CC1(C2)CCN(Cc2cccc(F)c2)CC1 ZINC000306135619 568897417 /nfs/dbraw/zinc/89/74/17/568897417.db2.gz OWAYMRFRLCWVKU-UHFFFAOYSA-N 0 3 411.525 3.318 40 0 HGABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306136571 568898508 /nfs/dbraw/zinc/89/85/08/568898508.db2.gz PXHLWRKVAIHQRS-DLBZAZTESA-N 0 3 407.905 3.488 40 0 HGABHN CN(Cc1ccccc1)C(=O)[C@H]1CN(C)CC2(CCN(Cc3cccs3)CC2)O1 ZINC000306138313 568900037 /nfs/dbraw/zinc/90/00/37/568900037.db2.gz RUSUXJBPGQUOLS-OAQYLSRUSA-N 0 3 413.587 3.072 40 0 HGABHN O=C(C1CC1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 ZINC000306143777 568905202 /nfs/dbraw/zinc/90/52/02/568905202.db2.gz YLWVOPKSXXZOCA-UHFFFAOYSA-N 0 3 406.530 3.266 40 0 HGABHN COC(=O)N1Cc2nnc(-c3ccco3)n2C2(CCN(Cc3ccccc3C)CC2)C1 ZINC000306143968 568905376 /nfs/dbraw/zinc/90/53/76/568905376.db2.gz YSCVQDABVUJIEV-UHFFFAOYSA-N 0 3 421.501 3.420 40 0 HGABHN COc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cnc(C(C)(C)C)nc23)cc1 ZINC000306144954 568906272 /nfs/dbraw/zinc/90/62/72/568906272.db2.gz ZTECNKPARIIFHT-UHFFFAOYSA-N 0 3 408.546 3.402 40 0 HGABHN CN(C)CCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccncc2)n1 ZINC000328958818 568969645 /nfs/dbraw/zinc/96/96/45/568969645.db2.gz APYPJHCQIUYBGI-UHFFFAOYSA-N 0 3 403.317 3.406 40 0 HGABHN COc1ccccc1CNC(=O)c1cc([C@@H]2CCN(Cc3ccccc3F)C2)n[nH]1 ZINC000019707785 569347952 /nfs/dbraw/zinc/34/79/52/569347952.db2.gz ZHZNUVBGTBDAEK-GOSISDBHSA-N 0 3 408.477 3.477 40 0 HGABHN Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(c2ccc(C(N)=O)c(N)n2)CC1 ZINC000019765757 569349056 /nfs/dbraw/zinc/34/90/56/569349056.db2.gz LROJTSOXIOFWNJ-UHFFFAOYSA-N 0 3 418.545 3.004 40 0 HGABHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC(c2ncc(C(N)=O)c(C)n2)CC1 ZINC000019766623 569349132 /nfs/dbraw/zinc/34/91/32/569349132.db2.gz XVMXANAFTFBYCJ-UHFFFAOYSA-N 0 3 422.508 3.205 40 0 HGABHN CN(C)CCNc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2cccnc2)n1 ZINC000328980832 571304712 /nfs/dbraw/zinc/30/47/12/571304712.db2.gz GQARDLCSLAVMDK-UHFFFAOYSA-N 0 3 400.433 3.857 40 0 HGABHN CN(C)CCNc1nc(C2CC2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000329044269 571304742 /nfs/dbraw/zinc/30/47/42/571304742.db2.gz SWAROBXFZBHLSO-UHFFFAOYSA-N 0 3 421.467 3.789 40 0 HGABHN CC(C)c1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NCCN(C)C)n1 ZINC000329006754 571306482 /nfs/dbraw/zinc/30/64/82/571306482.db2.gz LEFRRQIYLLTKTJ-UHFFFAOYSA-N 0 3 423.483 4.035 40 0 HGABHN O[C@@H]1[C@@H](Oc2ccccc2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccc(-c2ccccc2)cc1 ZINC000012483177 291246196 /nfs/dbraw/zinc/24/61/96/291246196.db2.gz SSBRIVNHYSQSCV-NHTNDUFYSA-N 0 3 403.478 3.375 40 0 biogenic,in-vitro HGABHN C[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857140 525069053 /nfs/dbraw/zinc/06/90/53/525069053.db2.gz QJTKAZGIMYVMKF-MRXNPFEDSA-N 0 3 418.534 3.319 40 0 HGABHN C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857114 525069643 /nfs/dbraw/zinc/06/96/43/525069643.db2.gz QQVWSEQSLUQBCX-QGZVFWFLSA-N 0 3 400.544 3.180 40 0 HGABHN COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C(C)C)N[C@]23c2cc(C)ccc2NC3=O)c1 ZINC000009042716 557017290 /nfs/dbraw/zinc/01/72/90/557017290.db2.gz GDXJQZFJTRLPIA-ROMRWMGNSA-N 0 3 423.513 3.432 40 0 HGABHN COc1cccc(C(=O)N2CC[C@H](C(=O)Nc3ccccc3CN3CCCC3)C2)c1 ZINC000019750454 558270489 /nfs/dbraw/zinc/27/04/89/558270489.db2.gz WRCGGXJATNULFW-FQEVSTJZSA-N 0 3 407.514 3.392 40 0 HGABHN Cn1cc([C@H](O)CN2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc21 ZINC000012134908 558333430 /nfs/dbraw/zinc/33/34/30/558333430.db2.gz LDQZDEGBXIXXDK-HSZRJFAPSA-N 0 3 404.514 3.089 40 0 HGABHN COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCCN(Cc3ccncc3C)C1)O2 ZINC000012135348 558333816 /nfs/dbraw/zinc/33/38/16/558333816.db2.gz NWGAKYWNWYAROQ-YKSBVNFPSA-N 0 3 409.530 3.420 40 0 HGABHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000012145777 558337123 /nfs/dbraw/zinc/33/71/23/558337123.db2.gz JAZSDUPVQQTMAB-UHFFFAOYSA-N 0 3 419.525 3.427 40 0 HGABHN COc1ccc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc1 ZINC000012186602 558345732 /nfs/dbraw/zinc/34/57/32/558345732.db2.gz SAEABSNHPWVOMG-UHFFFAOYSA-N 0 3 411.527 3.008 40 0 HGABHN CC(C)n1c2ccc(S(=O)(=O)N3CCCC[C@@H]3CN3CCCCC3)cc2oc1=O ZINC000012220619 558355629 /nfs/dbraw/zinc/35/56/29/558355629.db2.gz FKBXPEYNLYAUGW-QGZVFWFLSA-N 0 3 421.563 3.205 40 0 HGABHN COc1ccc(C2(NCc3ccc(OCC(=O)N4CCOCC4)cc3)CCCC2)cc1 ZINC000012293028 558365995 /nfs/dbraw/zinc/36/59/95/558365995.db2.gz GCDZEQQOCDTFED-UHFFFAOYSA-N 0 3 424.541 3.492 40 0 HGABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1OC ZINC000012329675 558384643 /nfs/dbraw/zinc/38/46/43/558384643.db2.gz JGKMQMAJQMCTGP-WOJBJXKFSA-N 0 3 413.514 3.396 40 0 HGABHN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CN2CCCC2)cc1 ZINC000013679148 558565502 /nfs/dbraw/zinc/56/55/02/558565502.db2.gz HDWXZKBUSVNNCK-UHFFFAOYSA-N 0 3 413.543 3.319 40 0 HGABHN COc1ccc(Br)cc1S(=O)(=O)NCCCN1CCCCCC1 ZINC000031559938 558751067 /nfs/dbraw/zinc/75/10/67/558751067.db2.gz DGJTVHNFCXEYMJ-UHFFFAOYSA-N 0 3 405.358 3.002 40 0 HGABHN CN1CCC(N(C[C@@H]2CCCO2)C(=O)c2n[nH]c3c2C[C@@H](C(C)(C)C)CC3)CC1 ZINC000019082376 558840172 /nfs/dbraw/zinc/84/01/72/558840172.db2.gz FSYYZQNTUZPECY-WMZOPIPTSA-N 0 3 402.583 3.276 40 0 HGABHN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)[C@H](C)N3CCCCC3)CC1)N2 ZINC000019128365 558845018 /nfs/dbraw/zinc/84/50/18/558845018.db2.gz PEKWZKUYLHYDLI-RYQLBKOJSA-N 0 3 409.525 3.295 40 0 HGABHN O[C@@H](CN1CCC[C@@](O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000019332954 558868896 /nfs/dbraw/zinc/86/88/96/558868896.db2.gz FXGUBIVSHDAYFI-REWPJTCUSA-N 0 3 401.478 3.394 40 0 HGABHN c1cncc(CN2CCC[C@@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)c1 ZINC000019339025 558870800 /nfs/dbraw/zinc/87/08/00/558870800.db2.gz LHKQVTJNOUOCKG-OAQYLSRUSA-N 0 3 416.529 3.150 40 0 HGABHN O=C(CN1CCCCCC1)N[C@@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1 ZINC000019369322 558877916 /nfs/dbraw/zinc/87/79/16/558877916.db2.gz VJONDQWVBAOWEK-NRFANRHFSA-N 0 3 408.546 3.313 40 0 HGABHN CC(C)CNC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019447359 558886532 /nfs/dbraw/zinc/88/65/32/558886532.db2.gz YXYSBGYGULFPND-SFTDATJTSA-N 0 3 407.562 3.065 40 0 HGABHN CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N3CCCC[C@H]3CN(C)C)cc2N1 ZINC000019451156 558889295 /nfs/dbraw/zinc/88/92/95/558889295.db2.gz ZRVHWHBVJHWOSU-OFQRWUPVSA-N 0 3 401.477 3.383 40 0 HGABHN C[C@@H](CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccnc1)N1CCN(C)CC1 ZINC000019455584 558891824 /nfs/dbraw/zinc/89/18/24/558891824.db2.gz BGEWVEZQVKTWKK-JTSKRJEESA-N 0 3 400.954 3.357 40 0 HGABHN CCc1ncc(CN2CCC[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)cn1 ZINC000019523367 558904592 /nfs/dbraw/zinc/90/45/92/558904592.db2.gz RPHQQOASVSFMKS-VWLOTQADSA-N 0 3 415.541 3.411 40 0 HGABHN O=C(CN1CCCC1)N1CCC[C@@H](c2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1 ZINC000072334891 558935842 /nfs/dbraw/zinc/93/58/42/558935842.db2.gz FCGPSUBELNDWPR-CQSZACIVSA-N 0 3 400.548 3.078 40 0 HGABHN CNc1cc([C@H]2CCCN(Cc3ccc(C)cc3OC)C2)nc(CN(C)C(C)=O)n1 ZINC000072370147 558956393 /nfs/dbraw/zinc/95/63/93/558956393.db2.gz OOQPRKRKEVORNU-SFHVURJKSA-N 0 3 411.550 3.193 40 0 HGABHN C[C@H]1CCCCN1CC(=O)N1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1 ZINC000019689028 558958521 /nfs/dbraw/zinc/95/85/21/558958521.db2.gz FVAIBMIJUBDRHZ-SFHVURJKSA-N 0 3 420.557 3.428 40 0 HGABHN COc1ccc2c(c1)C(=O)N[C@@]1(CCN([C@H](C)Cc3ccc(OC)c(OC)c3)C1)CC2 ZINC000072395783 558974828 /nfs/dbraw/zinc/97/48/28/558974828.db2.gz QTGUMDXHONAXJW-CRICUBBOSA-N 0 3 424.541 3.464 40 0 HGABHN CCOc1cc(CNC)c(Br)cc1OCC(=O)NCCc1ccccc1 ZINC000016688168 559079054 /nfs/dbraw/zinc/07/90/54/559079054.db2.gz IKDDNMPDNRULAA-UHFFFAOYSA-N 0 3 421.335 3.305 40 0 HGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccnc4)[C@@H]3C2=O)cc1 ZINC000095351589 559079645 /nfs/dbraw/zinc/07/96/45/559079645.db2.gz CAKLGVMOEACNNO-HBMCJLEFSA-N 0 3 401.422 3.141 40 0 HGABHN O=C(C[C@@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052819 559092456 /nfs/dbraw/zinc/09/24/56/559092456.db2.gz SUPOOBCHTHODBM-OAQYLSRUSA-N 0 3 405.542 3.352 40 0 HGABHN O=C(NCCN1CCCC1)c1nc(-c2cn(-c3ccccc3)cn2)n2ccccc12 ZINC000096155055 559099340 /nfs/dbraw/zinc/09/93/40/559099340.db2.gz IYLDBZFMSYDYRI-UHFFFAOYSA-N 0 3 400.486 3.013 40 0 HGABHN Cc1nc(Nc2cc([C@H]3CCCN(C(=O)/C=C/CN(C)C)C3)nc(C)n2)sc1C ZINC000585292976 559125449 /nfs/dbraw/zinc/12/54/49/559125449.db2.gz VFBYWAOFRNUGPF-LKUPDRCFSA-N 0 3 414.579 3.426 40 0 HGABHN Cc1cc(C)n(CCOc2ccc(CN(C)C[C@H](O)COc3ccccc3)cc2)n1 ZINC000257267113 559284957 /nfs/dbraw/zinc/28/49/57/559284957.db2.gz MGAOWTPDGPKIMD-QFIPXVFZSA-N 0 3 409.530 3.451 40 0 HGABHN C[C@]1(O)CCN(C(=O)c2ccc(OCCN3CCCC3)cc2)C[C@@H]1Oc1ccccc1 ZINC000257295210 559285703 /nfs/dbraw/zinc/28/57/03/559285703.db2.gz QXLDTIDWLZHQCJ-ZCYQVOJMSA-N 0 3 424.541 3.206 40 0 HGABHN CCCc1onc(C)c1C(=O)N1CC2(C1)CC[C@@H](CN(C)Cc1cccnc1)CO2 ZINC000575402525 560546699 /nfs/dbraw/zinc/54/66/99/560546699.db2.gz CACGUGMMQKQAQO-IBGZPJMESA-N 0 3 412.534 3.084 40 0 HGABHN Cc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000020140651 560881370 /nfs/dbraw/zinc/88/13/70/560881370.db2.gz DRYWWSNSECVKDS-GOTSBHOMSA-N 0 3 424.593 3.200 40 0 HGABHN COc1cccc(-c2noc(CNC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)n2)c1 ZINC000222599865 568519998 /nfs/dbraw/zinc/51/99/98/568519998.db2.gz SOGPNFKEDWBNRL-SFHVURJKSA-N 0 3 424.476 3.413 40 0 HGABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 ZINC000223253695 568542665 /nfs/dbraw/zinc/54/26/65/568542665.db2.gz FWIDIAQASONVME-CABCVRRESA-N 0 3 411.394 3.440 40 0 HGABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 ZINC000223253641 568542676 /nfs/dbraw/zinc/54/26/76/568542676.db2.gz FWIDIAQASONVME-GJZGRUSLSA-N 0 3 411.394 3.440 40 0 HGABHN COCCN1C(=O)Cc2c1nc([C@@]1(C)CCCN(Cc3sccc3C)C1)nc2C ZINC000257211790 568779580 /nfs/dbraw/zinc/77/95/80/568779580.db2.gz CAKPGWUQPMZCMX-QFIPXVFZSA-N 0 3 414.575 3.244 40 0 HGABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(S(=O)(=O)c1cccnc1)[C@H]2Cc1ccccc1 ZINC000257261292 568793293 /nfs/dbraw/zinc/79/32/93/568793293.db2.gz LGOZKAQNANQFTE-FADBTOOJSA-N 0 3 411.571 3.329 40 0 HGABHN CN(C)CCOc1ccccc1C(=O)N1CCC[C@H]1c1ccnc(-c2ccccn2)n1 ZINC000257265102 568794290 /nfs/dbraw/zinc/79/42/90/568794290.db2.gz LXIDCWQQVTUXNJ-NRFANRHFSA-N 0 3 417.513 3.456 40 0 HGABHN COc1cc2c(cc1CN1CC[C@H](c3n[nH]cc3-c3ccnc(N)c3)C1)OCCCO2 ZINC000257319225 568810095 /nfs/dbraw/zinc/81/00/95/568810095.db2.gz VRJRGUXSSZWPTA-INIZCTEOSA-N 0 3 421.501 3.213 40 0 HGABHN O=C(c1ccccc1CN1CCCC1)N1CCOC[C@H](Cc2cccn3nccc23)C1 ZINC000257338817 568815560 /nfs/dbraw/zinc/81/55/60/568815560.db2.gz YZBJZTLKFJUNTN-HXUWFJFHSA-N 0 3 418.541 3.261 40 0 HGABHN Cc1ncsc1CN1CCC2(CCc3nnc(C(=O)NCCC(C)C)n3C2)CC1 ZINC000306125685 568888372 /nfs/dbraw/zinc/88/83/72/568888372.db2.gz CXYOIMPIBNISPH-UHFFFAOYSA-N 0 3 416.595 3.048 40 0 HGABHN c1cnc2c(c1)N(Cc1cccnc1)C[C@@]21CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000306126889 568889668 /nfs/dbraw/zinc/88/96/68/568889668.db2.gz FICHGSWVHOYGGL-DEOSSOPVSA-N 0 3 400.482 3.369 40 0 HGABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3Cl)C[C@H]1C2 ZINC000306131037 568893431 /nfs/dbraw/zinc/89/34/31/568893431.db2.gz JVFRVUVEBYCXLK-SJORKVTESA-N 0 3 407.905 3.488 40 0 HGABHN Cc1cc(C)cc(CN2CC[C@]3(C2)COCc2cnc(NCc4cncn4C)nc23)c1 ZINC000306132618 568894835 /nfs/dbraw/zinc/89/48/35/568894835.db2.gz LNXAELIPEHSISL-DEOSSOPVSA-N 0 3 418.545 3.113 40 0 HGABHN CC(C)n1cnc([C@H]2CN(Cc3ccco3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306133218 568895362 /nfs/dbraw/zinc/89/53/62/568895362.db2.gz MFKDTSHKJNOXDP-ZJSXRUAMSA-N 0 3 419.529 3.470 40 0 HGABHN CC(C)n1cnc([C@@H]2CN(Cc3cnn(C(C)C)c3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306136925 568898603 /nfs/dbraw/zinc/89/86/03/568898603.db2.gz QGVMCKNBZDVLLY-XUZZJYLKSA-N 0 3 424.593 3.470 40 0 HGABHN c1ccc(CN2C[C@@]3(CCN(Cc4ccc5c(c4)OCO5)C3)c3ncccc32)nc1 ZINC000306137965 568899787 /nfs/dbraw/zinc/89/97/87/568899787.db2.gz RLFAQFUXVPTBLP-DEOSSOPVSA-N 0 3 400.482 3.369 40 0 HGABHN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218048626 568924788 /nfs/dbraw/zinc/92/47/88/568924788.db2.gz FDKSSCHDQAEKOZ-CNNODRBYSA-N 0 3 416.543 3.157 40 0 HGABHN COC[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218229064 568928528 /nfs/dbraw/zinc/92/85/28/568928528.db2.gz FZKUGDLVSLHEID-GBESFXJTSA-N 0 3 424.360 3.289 40 0 HGABHN CN(C)CCNc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2cccnc2)n1 ZINC000328989095 568971567 /nfs/dbraw/zinc/97/15/67/568971567.db2.gz IIUNCKQBZVKQKU-UHFFFAOYSA-N 0 3 420.414 3.257 40 0 HGABHN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCCN(Cc3ncccc3C)C1)O2 ZINC000012135361 569344653 /nfs/dbraw/zinc/34/46/53/569344653.db2.gz MPNYCVGVKOFFCV-YADARESESA-N 0 3 409.530 3.420 40 0 HGABHN COc1ccccc1CNC(=O)c1cc([C@H]2CCN(Cc3ccc(F)cc3)C2)n[nH]1 ZINC000019707789 569347942 /nfs/dbraw/zinc/34/79/42/569347942.db2.gz KRMFZNQKCMIXNR-SFHVURJKSA-N 0 3 408.477 3.477 40 0 HGABHN CNCc1cc(N(C)C)nc([C@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1 ZINC000019760826 569348906 /nfs/dbraw/zinc/34/89/06/569348906.db2.gz BYBOFPGKKYAUDY-HXUWFJFHSA-N 0 3 406.534 3.040 40 0 HGABHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000010434436 569395986 /nfs/dbraw/zinc/39/59/86/569395986.db2.gz AIRJRZRRFRLGKT-ZCNNSNEGSA-N 0 3 418.405 3.117 40 0 HGABHN CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nn1C ZINC000008635361 291233064 /nfs/dbraw/zinc/23/30/64/291233064.db2.gz BMKMVLWITVGGTB-TYPHKJRUSA-N 0 3 424.593 3.039 40 0 biogenic,in-vitro HGABHN S=C(NCc1ccco1)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCc2ccccc21 ZINC000008635726 291246246 /nfs/dbraw/zinc/24/62/46/291246246.db2.gz VYAFSBOIQHIZSY-XUVXKRRUSA-N 0 3 410.587 3.017 40 0 biogenic,in-vitro HGABHN Cc1ccccc1CN(CCCn1ccnc1)Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000043277699 525131479 /nfs/dbraw/zinc/13/14/79/525131479.db2.gz KIEKGYIOMHWPFV-UHFFFAOYSA-N 0 3 403.530 3.474 40 0 HGABHN Fc1ccccc1[C@@H](c1nnnn1Cc1ccco1)N1CCN(C2CCCCC2)CC1 ZINC000035291465 557678767 /nfs/dbraw/zinc/67/87/67/557678767.db2.gz HWSXXKXNLPWJOI-QFIPXVFZSA-N 0 3 424.524 3.493 40 0 HGABHN CC(=O)N1c2ccc([C@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)cc2C[C@@H]1C ZINC000012146834 558338048 /nfs/dbraw/zinc/33/80/48/558338048.db2.gz VLOYFEDSIKUYRS-QMHKHESXSA-N 0 3 412.505 3.140 40 0 HGABHN COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000027961132 558685224 /nfs/dbraw/zinc/68/52/24/558685224.db2.gz AQMXCVVPDXHLSP-UHFFFAOYSA-N 0 3 422.934 3.201 40 0 HGABHN COc1ccc(CCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1OC ZINC000038848990 558818467 /nfs/dbraw/zinc/81/84/67/558818467.db2.gz ZZALJISUWMLLLJ-IBGZPJMESA-N 0 3 400.494 3.414 40 0 HGABHN COc1ccc(CCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1OC ZINC000038848989 558818491 /nfs/dbraw/zinc/81/84/91/558818491.db2.gz ZZALJISUWMLLLJ-LJQANCHMSA-N 0 3 400.494 3.414 40 0 HGABHN COc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2cn(C)c4ccccc24)C3)c(OC)n1 ZINC000019290440 558863026 /nfs/dbraw/zinc/86/30/26/558863026.db2.gz FLQMGEYOBBVKKC-QLCVBSLISA-N 0 3 422.529 3.105 40 0 HGABHN CC[C@H](C)C(=O)N1CCc2cc([C@H](O)CN3CCCN(c4ccccn4)CC3)ccc21 ZINC000019499897 558898133 /nfs/dbraw/zinc/89/81/33/558898133.db2.gz ZJHLLYIYFSJPRX-WMZHIEFXSA-N 0 3 422.573 3.263 40 0 HGABHN CCOc1cc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)ccc1OCC(N)=O ZINC000019532205 558912364 /nfs/dbraw/zinc/91/23/64/558912364.db2.gz FPAXNDWDPRRYCZ-GOSISDBHSA-N 0 3 408.502 3.205 40 0 HGABHN COc1cc(CN2CCC([C@H]3CNC(=O)c4ccccc43)CC2)cc(OC)c1OC ZINC000019549692 558914453 /nfs/dbraw/zinc/91/44/53/558914453.db2.gz JJHXRAYUPDDPPC-HXUWFJFHSA-N 0 3 410.514 3.452 40 0 HGABHN COc1cc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)ccc1OCCO ZINC000019550215 558914884 /nfs/dbraw/zinc/91/48/84/558914884.db2.gz SJMOLUVILMRCID-DETIRCLXSA-N 0 3 401.478 3.220 40 0 HGABHN Cc1c2ccccc2oc1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)C1 ZINC000019566121 558925820 /nfs/dbraw/zinc/92/58/20/558925820.db2.gz WCSXLYQSEGSFDW-OAHLLOKOSA-N 0 3 406.486 3.245 40 0 HGABHN Cc1c2ccccc2oc1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)C1 ZINC000019566121 558925823 /nfs/dbraw/zinc/92/58/23/558925823.db2.gz WCSXLYQSEGSFDW-OAHLLOKOSA-N 0 3 406.486 3.245 40 0 HGABHN COCCOc1ccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 ZINC000019593695 558944902 /nfs/dbraw/zinc/94/49/02/558944902.db2.gz RFZODOBJNQEZTI-NZSAHSFTSA-N 0 3 421.492 3.206 40 0 HGABHN CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(Cc4cnn(C)c4C)C3)c2)cn1 ZINC000072353655 558950593 /nfs/dbraw/zinc/95/05/93/558950593.db2.gz CDCGJMZTTBZIKR-LJQANCHMSA-N 0 3 418.545 3.233 40 0 HGABHN CCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1)C1CCN(C)CC1 ZINC000019664514 558955082 /nfs/dbraw/zinc/95/50/82/558955082.db2.gz ACEROMBYJGTMEM-UHFFFAOYSA-N 0 3 415.607 3.467 40 0 HGABHN CCn1nc(C)c(NC(=O)CN2CCC[C@H](Cc3nc4ccc(F)cc4[nH]3)C2)c1C ZINC000019715500 558976533 /nfs/dbraw/zinc/97/65/33/558976533.db2.gz UAAVDCNCPFARIX-MRXNPFEDSA-N 0 3 412.513 3.428 40 0 HGABHN O=C(C[C@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052818 559092527 /nfs/dbraw/zinc/09/25/27/559092527.db2.gz AVVVUDJGWCYVSE-NRFANRHFSA-N 0 3 405.542 3.352 40 0 HGABHN COc1ccc(S(=O)(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 ZINC000036055839 559208728 /nfs/dbraw/zinc/20/87/28/559208728.db2.gz OEHFYGYYYQJAMU-XHIHJMKYSA-N 0 3 402.560 3.279 40 0 HGABHN COc1cc(CN(C)C[C@@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OCCO ZINC000257281939 559285397 /nfs/dbraw/zinc/28/53/97/559285397.db2.gz OROJXPXWYWZJHP-HXUWFJFHSA-N 0 3 412.530 3.131 40 0 HGABHN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000022456936 568486353 /nfs/dbraw/zinc/48/63/53/568486353.db2.gz FXYPTAKKGKQTFF-RIVFAIMISA-N 0 3 416.606 3.222 40 0 HGABHN NC(=O)[C@]1(c2ccccn2)CCCN(Cc2cccc(OCc3ccccn3)c2)C1 ZINC000257210644 568779223 /nfs/dbraw/zinc/77/92/23/568779223.db2.gz BVOVFBSNFWDQJB-XMMPIXPASA-N 0 3 402.498 3.075 40 0 HGABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218639320 568885721 /nfs/dbraw/zinc/88/57/21/568885721.db2.gz DJLLEEVARYHFGM-ZJOUEHCJSA-N 0 3 421.946 3.350 40 0 HGABHN CC(C)n1cnc([C@H]2CN(Cc3ccccc3)C[C@]23OCCN(CC2CCC2)C3=O)c1 ZINC000306126031 568888591 /nfs/dbraw/zinc/88/85/91/568888591.db2.gz DKBHTDLNPCYXGE-RDGATRHJSA-N 0 3 422.573 3.461 40 0 HGABHN COc1ncccc1CN1C[C@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306136336 568898245 /nfs/dbraw/zinc/89/82/45/568898245.db2.gz PQIVDAGKHXRGNV-HYBUGGRVSA-N 0 3 423.561 3.096 40 0 HGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccoc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306141155 568902695 /nfs/dbraw/zinc/90/26/95/568902695.db2.gz VMRUAEYDKAPYQI-XUZZJYLKSA-N 0 3 419.529 3.470 40 0 HGABHN CC(C)NC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccc(Cl)cc2)CC1 ZINC000306142334 568903953 /nfs/dbraw/zinc/90/39/53/568903953.db2.gz WWFHOLASKXGITC-UHFFFAOYSA-N 0 3 401.942 3.298 40 0 HGABHN O=C(CCn1cc(Br)cn1)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 ZINC000002739601 568931762 /nfs/dbraw/zinc/93/17/62/568931762.db2.gz BHKXOTZPMMDKLZ-UHFFFAOYSA-N 0 3 421.383 3.005 40 0 HGABHN CN(C)CCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccncc2)n1 ZINC000328967235 568970339 /nfs/dbraw/zinc/97/03/39/568970339.db2.gz CRTFKNDZYMNHNW-UHFFFAOYSA-N 0 3 403.317 3.406 40 0 HGABHN CN(C)CCNc1nc(Nc2cccc(Cl)c2Cl)cc(-c2ccccn2)n1 ZINC000328980011 568970966 /nfs/dbraw/zinc/97/09/66/568970966.db2.gz GKJZKXXILXJLLP-UHFFFAOYSA-N 0 3 403.317 3.406 40 0 HGABHN Cc1c(Nc2cc(-c3ccncc3)nc(NCCN(C)C)n2)cccc1C(F)(F)F ZINC000329049531 568974558 /nfs/dbraw/zinc/97/45/58/568974558.db2.gz UPKIHCQDHISFIZ-UHFFFAOYSA-N 0 3 416.451 3.427 40 0 HGABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2cccc(Br)c2)CC1 ZINC000226258828 569278669 /nfs/dbraw/zinc/27/86/69/569278669.db2.gz LVUORHXFTFONBN-UHFFFAOYSA-N 0 3 403.324 3.426 40 0 HGABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2ccc(Br)cc2)CC1 ZINC000226258972 569278701 /nfs/dbraw/zinc/27/87/01/569278701.db2.gz YBCXCWWKHQMTOZ-UHFFFAOYSA-N 0 3 403.324 3.426 40 0 HGABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000252516468 569388092 /nfs/dbraw/zinc/38/80/92/569388092.db2.gz SRMQAWYJNWDINO-QWFCFKBJSA-N 0 3 407.919 3.096 40 0 HGABHN Cn1c(SCCN2CCCC2)nnc1[C@H]1CCCN1C(=O)NC1CCCCC1 ZINC000005001592 557623857 /nfs/dbraw/zinc/62/38/57/557623857.db2.gz URMJFPBBJRRFSF-QGZVFWFLSA-N 0 3 406.600 3.182 40 0 HGABHN COc1ccccc1OCCNC[C@H](O)COc1c2c(ccc1O)[nH]c1ccccc12 ZINC000006019299 557684351 /nfs/dbraw/zinc/68/43/51/557684351.db2.gz RWDSIYCVHJZURY-INIZCTEOSA-N 0 3 422.481 3.444 40 0 in-vitro HGABHN COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCC(=O)NC(C)(C)C ZINC000006882461 557728616 /nfs/dbraw/zinc/72/86/16/557728616.db2.gz XECRLQRXDZSPNG-UHFFFAOYSA-N 0 3 400.475 3.007 40 0 HGABHN COc1cc2c(cc1CN1CCC[C@@H](c3ccc4c(C)nn(C)c4n3)C1)OCCO2 ZINC000019742504 558263048 /nfs/dbraw/zinc/26/30/48/558263048.db2.gz GJCBPPIJSHTOMO-MRXNPFEDSA-N 0 3 408.502 3.436 40 0 HGABHN Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(Cc3ccncc3)CC2)n1 ZINC000019759140 558275585 /nfs/dbraw/zinc/27/55/85/558275585.db2.gz LWHRUYCLLVBDMJ-UHFFFAOYSA-N 0 3 403.530 3.200 40 0 HGABHN COCCNC(=O)c1cc([C@H]2CCN(Cc3cnc(C)s3)C2)nc2ccccc21 ZINC000019761106 558276360 /nfs/dbraw/zinc/27/63/60/558276360.db2.gz FOPLOHYKAYHPLI-INIZCTEOSA-N 0 3 410.543 3.365 40 0 HGABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000019819034 558289003 /nfs/dbraw/zinc/28/90/03/558289003.db2.gz KTQXTVYESOQANH-IBGZPJMESA-N 0 3 421.453 3.084 40 0 HGABHN Cc1ccc(NC(=O)CC2N=C(Nc3nc(-c4ccccc4)cs3)NC2=O)cc1 ZINC000019819627 558289969 /nfs/dbraw/zinc/28/99/69/558289969.db2.gz QDUTUNQKMKJOML-MRXNPFEDSA-N 0 3 405.483 3.414 40 0 HGABHN Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNC[C@H]3Cc4ccccc4O3)cc12 ZINC000012186197 558345433 /nfs/dbraw/zinc/34/54/33/558345433.db2.gz KDCSJSDHTWCQRG-LJQANCHMSA-N 0 3 404.445 3.255 40 0 HGABHN CCOc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(OC)ccc2O3)cc1 ZINC000012293669 558367057 /nfs/dbraw/zinc/36/70/57/558367057.db2.gz GFTZFYRDDBMVNZ-VXKWHMMOSA-N 0 3 413.514 3.478 40 0 HGABHN CN1CCN(CCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)CC1 ZINC000022525394 558495687 /nfs/dbraw/zinc/49/56/87/558495687.db2.gz JWMHWIXNIKLQIH-UHFFFAOYSA-N 0 3 406.574 3.007 40 0 HGABHN COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000039766657 558686096 /nfs/dbraw/zinc/68/60/96/558686096.db2.gz HJLHJAVLWCEFIV-UHFFFAOYSA-N 0 3 424.497 3.419 40 0 HGABHN Cc1ccc2nc(C)cc(OCC(=O)N(C[C@@H]3CCCO3)C3CCN(C)CC3)c2c1 ZINC000019220594 558851815 /nfs/dbraw/zinc/85/18/15/558851815.db2.gz SRJDQXKVHSKGNV-FQEVSTJZSA-N 0 3 411.546 3.332 40 0 HGABHN COc1ccc(-c2ncc(CN3C[C@H]4CCC[C@@H](C3)C4(O)c3nccn3C)cn2)cc1 ZINC000019291427 558863802 /nfs/dbraw/zinc/86/38/02/558863802.db2.gz UMOMKFSCMBIINW-VXMMSVGHSA-N 0 3 419.529 3.005 40 0 HGABHN Fc1ccc(OCCN2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 ZINC000019335945 558869970 /nfs/dbraw/zinc/86/99/70/558869970.db2.gz GJAXCHXPNKGDKI-RRQGHBQHSA-N 0 3 413.419 3.496 40 0 HGABHN O=C(NC[C@H]1CCCOC1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372549 558879932 /nfs/dbraw/zinc/87/99/32/558879932.db2.gz RPXAZOUXKVXVAR-UEVCKROQSA-N 0 3 424.516 3.299 40 0 HGABHN CC(C)CCNC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019446950 558886445 /nfs/dbraw/zinc/88/64/45/558886445.db2.gz AYVYPKLGBIFYDA-VXKWHMMOSA-N 0 3 421.589 3.455 40 0 HGABHN CC(C)[N@@H+]1CCC[C@H](c2cc(=O)[n-]c(C3CCN(C(=O)Cc4ccccc4)CC3)n2)C1 ZINC000019447932 558886700 /nfs/dbraw/zinc/88/67/00/558886700.db2.gz OZAKETUIVUDSGL-NRFANRHFSA-N 0 3 422.573 3.306 40 0 HGABHN CC(C)[N@H+]1CCC[C@H](c2cc(=O)[n-]c(C3CCN(C(=O)Cc4ccccc4)CC3)n2)C1 ZINC000019447932 558886701 /nfs/dbraw/zinc/88/67/01/558886701.db2.gz OZAKETUIVUDSGL-NRFANRHFSA-N 0 3 422.573 3.306 40 0 HGABHN COc1ccc(CN2CCC(c3n[nH]cc3C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000019497330 558896237 /nfs/dbraw/zinc/89/62/37/558896237.db2.gz XNPVNHNHCLHSGT-IAGOWNOFSA-N 0 3 412.534 3.047 40 0 HGABHN CCCOc1c(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cccc1OC ZINC000019503806 558900871 /nfs/dbraw/zinc/90/08/71/558900871.db2.gz GZAXKRNQCJBMIL-RJGXRXQPSA-N 0 3 410.558 3.346 40 0 HGABHN COc1ccc(OCCN2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 ZINC000019556858 558919192 /nfs/dbraw/zinc/91/91/92/558919192.db2.gz UDWVVUKKNOGQSJ-JCGIZDLHSA-N 0 3 407.465 3.068 40 0 HGABHN Cc1nc(C)c(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)s1 ZINC000019560126 558921123 /nfs/dbraw/zinc/92/11/23/558921123.db2.gz DBQXNMQKOYMEFT-KRWDZBQOSA-N 0 3 415.563 3.389 40 0 HGABHN Cc1nc(C)c(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)s1 ZINC000019560126 558921125 /nfs/dbraw/zinc/92/11/25/558921125.db2.gz DBQXNMQKOYMEFT-KRWDZBQOSA-N 0 3 415.563 3.389 40 0 HGABHN CNc1nc(C2CCN(Cc3ccc(C)cc3OC)CC2)nc2c1CN(C(C)=O)CC2 ZINC000072372280 558959529 /nfs/dbraw/zinc/95/95/29/558959529.db2.gz XRTNHCRUISGEHQ-UHFFFAOYSA-N 0 3 423.561 3.120 40 0 HGABHN CCN1CCC2(CC1)CN(C(=O)[C@@H](N)Cc1ccccc1)Cc1cc(C)ccc1O2 ZINC000072394730 558973651 /nfs/dbraw/zinc/97/36/51/558973651.db2.gz OGDXNIRRJPAGPZ-QFIPXVFZSA-N 0 3 407.558 3.141 40 0 HGABHN Cc1ccc(CN2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)s1 ZINC000096037132 559090922 /nfs/dbraw/zinc/09/09/22/559090922.db2.gz XXMWTERNOJNIIS-UHFFFAOYSA-N 0 3 406.573 3.352 40 0 HGABHN O=C(C[C@H]1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052816 559092471 /nfs/dbraw/zinc/09/24/71/559092471.db2.gz QTVFLOQYCBZKDN-FQEVSTJZSA-N 0 3 405.542 3.352 40 0 HGABHN Cc1ccc(C(=O)N2CCC3(C[C@@H](CC(=O)NCCN(C)C)c4ccccc43)CC2)o1 ZINC000096052902 559092782 /nfs/dbraw/zinc/09/27/82/559092782.db2.gz XAZDCJSDSZCGMP-LJQANCHMSA-N 0 3 423.557 3.317 40 0 HGABHN COc1cccc(CN2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)c1 ZINC000096145488 559097300 /nfs/dbraw/zinc/09/73/00/559097300.db2.gz XNEXUAQZNKVVNE-FYYLOGMGSA-N 0 3 414.571 3.164 40 0 HGABHN Cc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@@H]4CCCCN4)CC3)n2)s1 ZINC000585263418 559111762 /nfs/dbraw/zinc/11/17/62/559111762.db2.gz IJUWOXMYYRLSLE-INIZCTEOSA-N 0 3 400.552 3.142 40 0 HGABHN Cc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC3CCCCC3)cc2c1 ZINC000000880584 560539681 /nfs/dbraw/zinc/53/96/81/560539681.db2.gz VQPQBGHHOCKXFE-UHFFFAOYSA-N 0 3 400.592 3.407 40 0 HGABHN Cc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCc3ccccc3)cc2c1 ZINC000004133412 560600420 /nfs/dbraw/zinc/60/04/20/560600420.db2.gz WDYQBOUDPIHHHB-UHFFFAOYSA-N 0 3 408.571 3.275 40 0 HGABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)NCc3ccco3)c(=O)[nH]c2c1C ZINC000004133495 560600539 /nfs/dbraw/zinc/60/05/39/560600539.db2.gz GODWGKMXXYDUFX-UHFFFAOYSA-N 0 3 412.559 3.176 40 0 HGABHN COc1cccc(-c2noc(CNC(=O)C3CCN(Cc4ccc(F)cc4)CC3)n2)c1 ZINC000219425822 568491705 /nfs/dbraw/zinc/49/17/05/568491705.db2.gz YTBPOCDJSPBNKD-UHFFFAOYSA-N 0 3 424.476 3.413 40 0 HGABHN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccnc1 ZINC000223258305 568542809 /nfs/dbraw/zinc/54/28/09/568542809.db2.gz ULYZDXXEGJGLPX-FCHUYYIVSA-N 0 3 420.586 3.418 40 0 HGABHN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)nc1 ZINC000223257269 568542860 /nfs/dbraw/zinc/54/28/60/568542860.db2.gz VSOVMBPFTUPYMW-RTWAWAEBSA-N 0 3 406.559 3.110 40 0 HGABHN COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1 ZINC000223279297 568543883 /nfs/dbraw/zinc/54/38/83/568543883.db2.gz JDWPKDMXEUHNTN-YADHBBJMSA-N 0 3 421.570 3.415 40 0 HGABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cn1 ZINC000225932777 568687145 /nfs/dbraw/zinc/68/71/45/568687145.db2.gz UZPUNNPFOOHQOS-UHFFFAOYSA-N 0 3 403.910 3.362 40 0 HGABHN COC[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242495200 568688552 /nfs/dbraw/zinc/68/85/52/568688552.db2.gz FZKUGDLVSLHEID-IPMKNSEASA-N 0 3 424.360 3.289 40 0 HGABHN COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)c1ccccc1CN1CCCC1 ZINC000257252023 568790975 /nfs/dbraw/zinc/79/09/75/568790975.db2.gz JTGNSTVDBCQFNW-HSZRJFAPSA-N 0 3 421.541 3.337 40 0 HGABHN CCCN1CCN(CCC(N)=O)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257282157 568799210 /nfs/dbraw/zinc/79/92/10/568799210.db2.gz OSPALTNXWVKFED-HXUWFJFHSA-N 0 3 411.521 3.081 40 0 HGABHN Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(S(=O)(=O)N3CCCC3)C2)n1 ZINC000257326278 568812199 /nfs/dbraw/zinc/81/21/99/568812199.db2.gz WWOXYNLUAXOTAM-INIZCTEOSA-N 0 3 404.511 3.403 40 0 HGABHN C[C@]1(O)CN(C(=O)c2ccc(OCCN3CCCC3)cc2)CC[C@@H]1Oc1ccccc1 ZINC000257334921 568814579 /nfs/dbraw/zinc/81/45/79/568814579.db2.gz YHWCDQCKCWBYFO-ZCYQVOJMSA-N 0 3 424.541 3.206 40 0 HGABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218565253 568881990 /nfs/dbraw/zinc/88/19/90/568881990.db2.gz FCGSADDHOIRCQG-URVUXULASA-N 0 3 401.528 3.005 40 0 HGABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218639400 568885635 /nfs/dbraw/zinc/88/56/35/568885635.db2.gz DJLLEEVARYHFGM-IRFCIJBXSA-N 0 3 421.946 3.350 40 0 HGABHN Cc1cc(C)cc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(CC2CC2)C3=O)c1 ZINC000306127649 568890488 /nfs/dbraw/zinc/89/04/88/568890488.db2.gz GEBFPOKBYIOBEZ-UKILVPOCSA-N 0 3 405.542 3.305 40 0 HGABHN c1cc(CN2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cc2c1OCO2 ZINC000306127946 568890733 /nfs/dbraw/zinc/89/07/33/568890733.db2.gz GLKKWTBSKHUKNH-GOSISDBHSA-N 0 3 405.502 3.438 40 0 HGABHN COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(Cc3ccc(F)cc3)C2)cc1 ZINC000306140771 568902636 /nfs/dbraw/zinc/90/26/36/568902636.db2.gz VDNAUZCCLSMEPK-QHCPKHFHSA-N 0 3 406.461 3.000 40 0 HGABHN O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3Cl)C[C@H]1C2 ZINC000306143184 568904740 /nfs/dbraw/zinc/90/47/40/568904740.db2.gz XVHSNHPSXLPTOW-MOPGFXCFSA-N 0 3 421.932 3.166 40 0 HGABHN O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccccc3Cl)C[C@H]1C2 ZINC000306143187 568904784 /nfs/dbraw/zinc/90/47/84/568904784.db2.gz XVHSNHPSXLPTOW-RTBURBONSA-N 0 3 421.932 3.166 40 0 HGABHN COc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)cc1 ZINC000306144281 568905616 /nfs/dbraw/zinc/90/56/16/568905616.db2.gz ZBBMJHOKKDIWCX-XMMPIXPASA-N 0 3 419.481 3.462 40 0 HGABHN CCOC[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242592420 568967776 /nfs/dbraw/zinc/96/77/76/568967776.db2.gz OTWBSRSMBMOJHH-IPMKNSEASA-N 0 3 424.360 3.370 40 0 HGABHN Cc1c(Nc2cc(C(F)(F)F)nc(NCCN(C)C)n2)cccc1C(F)(F)F ZINC000329006751 568972411 /nfs/dbraw/zinc/97/24/11/568972411.db2.gz LECSEQOAWCRNPZ-UHFFFAOYSA-N 0 3 407.362 3.384 40 0 HGABHN CN(C)CCNc1nc(Nc2cccc(Br)c2)cc(-c2ccccc2)n1 ZINC000329042523 568974397 /nfs/dbraw/zinc/97/43/97/568974397.db2.gz SNBHTBJWFSNMKD-UHFFFAOYSA-N 0 3 412.335 3.467 40 0 HGABHN COc1ccc2c(c1)[C@@H]1C[C@@](C)(NC(=O)C1S(=O)(=O)c1ccc(C(C)C)cc1)O2 ZINC000004316278 569323188 /nfs/dbraw/zinc/32/31/88/569323188.db2.gz LXCBAGKGWZQIAG-VCOUNFBDSA-N 0 3 415.511 3.373 40 0 HGABHN COc1ccc2c(c1)C(=O)N[C@]1(CCN([C@@H](C)Cc3ccc(OC)c(OC)c3)C1)CC2 ZINC000019456763 569345539 /nfs/dbraw/zinc/34/55/39/569345539.db2.gz QTGUMDXHONAXJW-GKVSMKOHSA-N 0 3 424.541 3.464 40 0 HGABHN CN1C(=O)CCCC[C@@H]2[C@@H]1CCN2C(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000019713934 569348527 /nfs/dbraw/zinc/34/85/27/569348527.db2.gz POGORERETASMNT-LEWJYISDSA-N 0 3 401.526 3.040 40 0 HGABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000252516467 569388053 /nfs/dbraw/zinc/38/80/53/569388053.db2.gz SRMQAWYJNWDINO-NLWGTHIKSA-N 0 3 407.919 3.096 40 0 HGABHN O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1)c1ccncc1 ZINC000004259189 291244637 /nfs/dbraw/zinc/24/46/37/291244637.db2.gz SABVWMRXLZOCQT-PKOBYXMFSA-N 0 3 418.472 3.254 40 0 biogenic,in-vitro HGABHN COC(=O)c1cccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000225773138 522239089 /nfs/dbraw/zinc/23/90/89/522239089.db2.gz VUEYAWBOEMXYEH-UHFFFAOYSA-N 0 3 413.543 3.433 40 0 HGABHN O=C(CC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1)N1CCN2CCC[C@@H]2C1 ZINC000019748183 558267458 /nfs/dbraw/zinc/26/74/58/558267458.db2.gz LIRXCXQHFVVVIR-HSZRJFAPSA-N 0 3 423.601 3.434 40 0 HGABHN Cc1c(CN2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)cnn1C ZINC000019749084 558268320 /nfs/dbraw/zinc/26/83/20/558268320.db2.gz ZOTWUVCICGALSI-MRXNPFEDSA-N 0 3 409.456 3.235 40 0 HGABHN Cc1ncc(CN2CC[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)s1 ZINC000019761118 558276438 /nfs/dbraw/zinc/27/64/38/558276438.db2.gz IOTUUPVVYCOUEF-KRWDZBQOSA-N 0 3 422.554 3.462 40 0 HGABHN COc1ccc(CN2CCCN(c3nc(C)cc(-n4nc(C)cc4C)n3)CC2)cc1 ZINC000012120638 558330553 /nfs/dbraw/zinc/33/05/53/558330553.db2.gz CTNOAGLWVYAOGQ-UHFFFAOYSA-N 0 3 406.534 3.308 40 0 HGABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(Cl)cc1 ZINC000020636722 558396238 /nfs/dbraw/zinc/39/62/38/558396238.db2.gz BTTVJVNEYUYKJL-MOPGFXCFSA-N 0 3 411.889 3.105 40 0 HGABHN CN1CCC(N(C[C@H]2CCCO2)C(=O)c2n[nH]c3c2C[C@H](C(C)(C)C)CC3)CC1 ZINC000019082374 558840167 /nfs/dbraw/zinc/84/01/67/558840167.db2.gz FSYYZQNTUZPECY-SJLPKXTDSA-N 0 3 402.583 3.276 40 0 HGABHN COc1cc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1OC ZINC000019129193 558845256 /nfs/dbraw/zinc/84/52/56/558845256.db2.gz HEILMMFOMQKOKW-INIZCTEOSA-N 0 3 411.506 3.025 40 0 HGABHN Cc1sc2nc(C)n(CC(=O)NC[C@@H](c3ccc(C)cc3)N(C)C)c(=O)c2c1C ZINC000019136464 558846241 /nfs/dbraw/zinc/84/62/41/558846241.db2.gz VHILXDWNACVAAY-SFHVURJKSA-N 0 3 412.559 3.111 40 0 HGABHN O=C(N[C@@H]1CCCOC1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372522 558879943 /nfs/dbraw/zinc/87/99/43/558879943.db2.gz JKWUOYGZXWWJRX-YPAWHYETSA-N 0 3 410.489 3.052 40 0 HGABHN CCCC(=O)NCCn1nc(C2CCN(Cc3ccncc3)CC2)c2cccnc21 ZINC000019501757 558899977 /nfs/dbraw/zinc/89/99/77/558899977.db2.gz LKGHKFKAOYIFTA-UHFFFAOYSA-N 0 3 406.534 3.122 40 0 HGABHN CCc1n[nH]c(C(=O)NC2CCN(Cc3cc(-c4ccccc4F)nn3C)CC2)c1C ZINC000019520984 558902216 /nfs/dbraw/zinc/90/22/16/558902216.db2.gz YGRIDPSIWFQCBT-UHFFFAOYSA-N 0 3 424.524 3.215 40 0 HGABHN COc1cccc(OCCc2cc([C@H]3CCN(Cc4cccnc4N(C)C)C3)n[nH]2)c1 ZINC000072371741 558959147 /nfs/dbraw/zinc/95/91/47/558959147.db2.gz DXGRGVIJGGCCDJ-SFHVURJKSA-N 0 3 421.545 3.490 40 0 HGABHN COc1cccc(OCCc2cc([C@H]3CCN(Cc4cccnc4N(C)C)C3)[nH]n2)c1 ZINC000072371741 558959148 /nfs/dbraw/zinc/95/91/48/558959148.db2.gz DXGRGVIJGGCCDJ-SFHVURJKSA-N 0 3 421.545 3.490 40 0 HGABHN C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[nH]c(N3CCC[C@@H](C)C3)nc2C1 ZINC000257309209 559011506 /nfs/dbraw/zinc/01/15/06/559011506.db2.gz TZYYXZFSOYCCLX-IAGOWNOFSA-N 0 3 424.545 3.384 40 0 HGABHN COc1ncc(CN2C[C@H](C(=O)NCCC(C)(C)C)C3(C2)CCOCC3)cc1C ZINC000585102029 559025247 /nfs/dbraw/zinc/02/52/47/559025247.db2.gz ZJHQRRMWNKYANA-LJQANCHMSA-N 0 3 403.567 3.180 40 0 HGABHN CN1CCN(C(=O)C[C@@H]2CC3(CCN(Cc4ccccn4)CC3)c3ccccc32)CC1 ZINC000096052941 559092715 /nfs/dbraw/zinc/09/27/15/559092715.db2.gz MIIXEGRINMIQGT-OAQYLSRUSA-N 0 3 418.585 3.267 40 0 HGABHN COc1cccc(CN2CC[C@@H]3CN(Cc4ccccc4)S(=O)(=O)[C@@H]3CC2)c1 ZINC000096263670 559107189 /nfs/dbraw/zinc/10/71/89/559107189.db2.gz OFXUJLRWTVKLPS-IFMALSPDSA-N 0 3 400.544 3.121 40 0 HGABHN O=C(c1ccccc1CN1CCCC1)N1CCOC[C@@H](Cc2cccc3n[nH]cc32)C1 ZINC000585261880 559109520 /nfs/dbraw/zinc/10/95/20/559109520.db2.gz HWPCJTUHBFYCSJ-IBGZPJMESA-N 0 3 418.541 3.490 40 0 HGABHN Cc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCn3cccn3)cc2)c(C)c1 ZINC000257220999 559283601 /nfs/dbraw/zinc/28/36/01/559283601.db2.gz DNDHGTRDTFWNNR-QFIPXVFZSA-N 0 3 409.530 3.451 40 0 HGABHN CN(Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)c3cc4ccccc4[nH]3)C2)OC1 ZINC000575404349 560547159 /nfs/dbraw/zinc/54/71/59/560547159.db2.gz NCLNZZBXQZGOQB-LJQANCHMSA-N 0 3 404.514 3.316 40 0 HGABHN CCOc1cc(CNCc2ccc(C)cc2)cc(Br)c1OCC(N)=O ZINC000007537929 560751433 /nfs/dbraw/zinc/75/14/33/560751433.db2.gz SLBSIACBEWANGT-UHFFFAOYSA-N 0 3 407.308 3.310 40 0 HGABHN COc1cc(O)ccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000002528509 560870583 /nfs/dbraw/zinc/87/05/83/560870583.db2.gz ZCJHEORDHXCJNB-KRWDZBQOSA-N 0 3 422.481 3.444 40 0 endogenous,world HGABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(C(F)(F)F)cc2)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382108 568489397 /nfs/dbraw/zinc/48/93/97/568489397.db2.gz DSFGTEKIEQIRFT-UAFMIMERSA-N 0 3 421.463 3.063 40 0 biogenic,in-vitro HGABHN COc1ccc(Cn2nnnc2[C@@H](C(C)C)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022929429 568501353 /nfs/dbraw/zinc/50/13/53/568501353.db2.gz DSVONBMUUUPUAR-JOCHJYFZSA-N 0 3 412.582 3.377 40 0 HGABHN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)n1-c1cccnc1 ZINC000223261374 568543176 /nfs/dbraw/zinc/54/31/76/568543176.db2.gz HXLZQIONRSLRHY-SFTDATJTSA-N 0 3 406.559 3.110 40 0 HGABHN CS(=O)(=O)[N-]c1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(Cl)c1 ZINC000224623083 568588850 /nfs/dbraw/zinc/58/88/50/568588850.db2.gz XWQRRUZFLRYBEU-UHFFFAOYSA-N 0 3 421.950 3.237 40 0 HGABHN COc1ccc([C@H](N)c2n[nH]c(-c3ccc(I)cc3)n2)cc1 ZINC000095533706 568635259 /nfs/dbraw/zinc/63/52/59/568635259.db2.gz BWSLLLHWEDZYPJ-AWEZNQCLSA-N 0 3 406.227 3.133 40 0 HGABHN Cc1nc(C)n(CC(=O)N2CC[C@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)n1 ZINC000257206780 568778063 /nfs/dbraw/zinc/77/80/63/568778063.db2.gz BEWITKCXUHVWPS-KRWDZBQOSA-N 0 3 408.481 3.497 40 0 HGABHN COc1c(C)cccc1CN1CCC[C@@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000257243402 568788395 /nfs/dbraw/zinc/78/83/95/568788395.db2.gz IGUQCKGJSXTZGK-LJQANCHMSA-N 0 3 421.545 3.264 40 0 HGABHN COc1cccc(Cc2cnc([C@@]3(C)CCCN(C(=O)C4CCN(C)CC4)C3)o2)c1 ZINC000257296869 568803502 /nfs/dbraw/zinc/80/35/02/568803502.db2.gz RESDSWHVHCZSOD-DEOSSOPVSA-N 0 3 411.546 3.496 40 0 HGABHN CN(CCC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1)Cc1cccnc1 ZINC000257303445 568805502 /nfs/dbraw/zinc/80/55/02/568805502.db2.gz SHGVTTGNAFRUSG-HXUWFJFHSA-N 0 3 422.508 3.115 40 0 HGABHN CN(CCC(=O)N1CCC[C@@H]1c1nnc(Cc2ccc(F)cc2)[nH]1)Cc1cccnc1 ZINC000257303445 568805503 /nfs/dbraw/zinc/80/55/03/568805503.db2.gz SHGVTTGNAFRUSG-HXUWFJFHSA-N 0 3 422.508 3.115 40 0 HGABHN COc1ccc(-c2nnc3n2C2(CCN(Cc4cccs4)CC2)CN(C)C3)cc1 ZINC000306123538 568886628 /nfs/dbraw/zinc/88/66/28/568886628.db2.gz APRMOUGOUXBFBX-UHFFFAOYSA-N 0 3 409.559 3.452 40 0 HGABHN CC(C)CN1CC[C@]2(C1)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1O2 ZINC000306125354 568888079 /nfs/dbraw/zinc/88/80/79/568888079.db2.gz CNHWYZPEIGWNMZ-QFIPXVFZSA-N 0 3 400.544 3.370 40 0 HGABHN c1cnc2c(c1)N(Cc1cccnc1)C[C@]21CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000306126890 568889703 /nfs/dbraw/zinc/88/97/03/568889703.db2.gz FICHGSWVHOYGGL-XMMPIXPASA-N 0 3 400.482 3.369 40 0 HGABHN CN(C)c1cccc(C(=O)N2CCO[C@@]3(CCCC[C@@H]3NCc3cccnc3)C2)c1 ZINC000306128749 568891431 /nfs/dbraw/zinc/89/14/31/568891431.db2.gz HJMUWFBUXRTCGW-UPVQGACJSA-N 0 3 408.546 3.091 40 0 HGABHN O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccccc3Cl)C[C@@H]1C2 ZINC000306143186 568904789 /nfs/dbraw/zinc/90/47/89/568904789.db2.gz XVHSNHPSXLPTOW-RBUKOAKNSA-N 0 3 421.932 3.166 40 0 HGABHN COc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306144164 568905633 /nfs/dbraw/zinc/90/56/33/568905633.db2.gz YXXOJMQINNXWBE-DEOSSOPVSA-N 0 3 419.481 3.462 40 0 HGABHN COCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000009062593 569342167 /nfs/dbraw/zinc/34/21/67/569342167.db2.gz PUAYTXRVGCVMKJ-UHFFFAOYSA-N 0 3 409.530 3.222 40 0 HGABHN CN(C)CCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000010111686 569342846 /nfs/dbraw/zinc/34/28/46/569342846.db2.gz UEQKSDKDRRRMDM-NRFANRHFSA-N 0 3 417.962 3.406 40 0 HGABHN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCCN(Cc3ccncc3C)C1)O2 ZINC000012135345 569344663 /nfs/dbraw/zinc/34/46/63/569344663.db2.gz NWGAKYWNWYAROQ-HYBUGGRVSA-N 0 3 409.530 3.420 40 0 HGABHN CNc1cc(CN(C)C(=O)c2c(C)onc2-c2ccc(C)cc2)nc([C@@H]2CCCN2)n1 ZINC000019760761 569348925 /nfs/dbraw/zinc/34/89/25/569348925.db2.gz JZKAPTUUOPWIPF-SFHVURJKSA-N 0 3 420.517 3.487 40 0 HGABHN COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3c(c21)CCCC3 ZINC000065748810 569393482 /nfs/dbraw/zinc/39/34/82/569393482.db2.gz DEZWFYYHJOWXBH-QGZVFWFLSA-N 0 3 410.514 3.464 40 0 in-vitro HGABHN CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)CCCc1ccc(F)c(C)c1)C2 ZINC000019707105 569428762 /nfs/dbraw/zinc/42/87/62/569428762.db2.gz HILIJDBJUFKKOM-LJQANCHMSA-N 0 3 411.525 3.298 40 0 HGABHN CC(C)c1cc(N2CCc3ccc(Br)cc3C2)nc(NCCN(C)C)n1 ZINC000328971238 571306388 /nfs/dbraw/zinc/30/63/88/571306388.db2.gz DOHZSZBSHBCQRF-UHFFFAOYSA-N 0 3 418.383 3.899 40 0 HGABHN C[C@H]1CCCN(c2cc(C(=O)N(C[C@@H]3CCCO3)C3CCN(C)CC3)ccn2)C1 ZINC000019496616 132467494 /nfs/dbraw/zinc/46/74/94/132467494.db2.gz DOQWFNZBIGCUGX-RXVVDRJESA-N 0 3 400.567 3.033 40 0 HGABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 ZINC000044880062 523021497 /nfs/dbraw/zinc/02/14/97/523021497.db2.gz RLTUPLOBBKCDDE-SFHVURJKSA-N 0 3 407.580 3.055 40 0 HGABHN COc1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c(OC)c1OC ZINC000044882815 524062804 /nfs/dbraw/zinc/06/28/04/524062804.db2.gz FGYRJSKBHPDIRE-GOSISDBHSA-N 0 3 416.493 3.380 40 0 HGABHN Cc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000044857120 524437420 /nfs/dbraw/zinc/43/74/20/524437420.db2.gz XGFPOQYJKMCLND-GOSISDBHSA-N 0 3 414.571 3.488 40 0 HGABHN CC1CCN(CC(=O)N2CCC[C@H](N(C)C(=O)c3nccc4ccccc43)CC2)CC1 ZINC000019749772 558269494 /nfs/dbraw/zinc/26/94/94/558269494.db2.gz FYANTWYEBJXMQB-NRFANRHFSA-N 0 3 422.573 3.420 40 0 HGABHN CCOc1ccc(CN2CCC(Cc3nc(C)ncc3C(=O)NC)CC2)cc1OC ZINC000019757259 558274727 /nfs/dbraw/zinc/27/47/27/558274727.db2.gz USHMJKIDVNCCFV-UHFFFAOYSA-N 0 3 412.534 3.007 40 0 HGABHN COCCNC(=O)c1cc([C@@H]2CCN(Cc3cnc(C)s3)C2)nc2ccccc21 ZINC000019761102 558276381 /nfs/dbraw/zinc/27/63/81/558276381.db2.gz FOPLOHYKAYHPLI-MRXNPFEDSA-N 0 3 410.543 3.365 40 0 HGABHN CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000015360749 558735871 /nfs/dbraw/zinc/73/58/71/558735871.db2.gz YKOLAWLFBQDVBT-UHFFFAOYSA-N 0 3 401.532 3.109 40 0 HGABHN COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)c1 ZINC000100947388 558813450 /nfs/dbraw/zinc/81/34/50/558813450.db2.gz BQIMYQISQAQYDN-FKBYEOEOSA-N 0 3 416.433 3.452 40 0 HGABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)c1 ZINC000100947388 558813451 /nfs/dbraw/zinc/81/34/51/558813451.db2.gz BQIMYQISQAQYDN-FKBYEOEOSA-N 0 3 416.433 3.452 40 0 HGABHN CN1CCC(N(C[C@H]2CCCO2)C(=O)c2n[nH]c3c2C[C@@H](C(C)(C)C)CC3)CC1 ZINC000019082379 558840185 /nfs/dbraw/zinc/84/01/85/558840185.db2.gz FSYYZQNTUZPECY-FUHWJXTLSA-N 0 3 402.583 3.276 40 0 HGABHN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@@H](C)N3CCCCC3)C1)N2 ZINC000019127276 558844686 /nfs/dbraw/zinc/84/46/86/558844686.db2.gz CRIDRIBBLXSDEO-ZJPYXAASSA-N 0 3 409.525 3.295 40 0 HGABHN Cc1ccc(C2(O)CCN(Cc3ccc(OCCN4CCOCC4)cc3)CC2)cc1 ZINC000019208602 558847562 /nfs/dbraw/zinc/84/75/62/558847562.db2.gz LNMAAECLDWHWEZ-UHFFFAOYSA-N 0 3 410.558 3.190 40 0 HGABHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C1=O ZINC000013661996 558851540 /nfs/dbraw/zinc/85/15/40/558851540.db2.gz CAUKAGFZMJWBNQ-FSSWDIPSSA-N 0 3 416.433 3.452 40 0 HGABHN O=C1CCOC[C@]2(CN(Cc3ccc(OC4CCCC4)cc3)C[C@H]2c2cccnc2)N1 ZINC000019340003 558871384 /nfs/dbraw/zinc/87/13/84/558871384.db2.gz PAAFXOJZMIUDJG-ZCYQVOJMSA-N 0 3 421.541 3.278 40 0 HGABHN O=C(c1ccc(F)cc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1CCCOCC1 ZINC000019372509 558879905 /nfs/dbraw/zinc/87/99/05/558879905.db2.gz MCDFXQGYZIOSCK-FGZHOGPDSA-N 0 3 410.489 3.006 40 0 HGABHN COc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cc1OC(C)C ZINC000019450503 558888910 /nfs/dbraw/zinc/88/89/10/558888910.db2.gz OEGHEXDDQQJRLT-RJGXRXQPSA-N 0 3 410.558 3.345 40 0 HGABHN C[C@H]1C[C@H]1C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCC(C)CC2)CC3)C1 ZINC000019495960 558894875 /nfs/dbraw/zinc/89/48/75/558894875.db2.gz LRJJRJGCDCTXNE-XMMCJJCJSA-N 0 3 412.578 3.481 40 0 HGABHN C[C@H]1C[C@H]1C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCC(C)CC2)CC3)C1 ZINC000019495960 558894876 /nfs/dbraw/zinc/89/48/76/558894876.db2.gz LRJJRJGCDCTXNE-XMMCJJCJSA-N 0 3 412.578 3.481 40 0 HGABHN CCOCc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)ccc1OC ZINC000019531196 558911880 /nfs/dbraw/zinc/91/18/80/558911880.db2.gz JXYITIWSSJXLES-TZRRMPRUSA-N 0 3 410.558 3.094 40 0 HGABHN COc1cccc(CN2CCC[C@@H](c3cc(C(=O)NCc4ccncc4)on3)C2)c1 ZINC000019565144 558925270 /nfs/dbraw/zinc/92/52/70/558925270.db2.gz KSDYUHRDWJSARU-LJQANCHMSA-N 0 3 406.486 3.388 40 0 HGABHN CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000019590934 558941179 /nfs/dbraw/zinc/94/11/79/558941179.db2.gz JVMXIDZENVPFCE-OAQYLSRUSA-N 0 3 407.518 3.165 40 0 HGABHN CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3ccccc3)CC2)o1 ZINC000072344890 558941360 /nfs/dbraw/zinc/94/13/60/558941360.db2.gz FEYAJFSJHUDSSL-IBGZPJMESA-N 0 3 418.563 3.326 40 0 HGABHN CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2ccccn2)C1 ZINC000019591328 558941623 /nfs/dbraw/zinc/94/16/23/558941623.db2.gz MGMKWPYONXMYTF-XMMPIXPASA-N 0 3 401.514 3.110 40 0 HGABHN COc1nn(CC(=O)Nc2ccccc2CN2CCCCC2)c(=O)c2ccccc21 ZINC000019594904 558945540 /nfs/dbraw/zinc/94/55/40/558945540.db2.gz ZSLOBFRZQDKVJQ-UHFFFAOYSA-N 0 3 406.486 3.030 40 0 HGABHN Cc1ccc(CC(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@@H]2CN(C)C)cc1 ZINC000072394956 558973854 /nfs/dbraw/zinc/97/38/54/558973854.db2.gz KENWIABETVAWCT-ZEQRLZLVSA-N 0 3 421.585 3.353 40 0 HGABHN COc1ccc2c(c1)c([C@H]1CN(Cc3cccc(OC)c3)C[C@@H]1NC(C)=O)cn2C ZINC000072395549 558974523 /nfs/dbraw/zinc/97/45/23/558974523.db2.gz KAEHZSISVCNDSG-PKTZIBPZSA-N 0 3 407.514 3.300 40 0 HGABHN CCC(=O)N[C@H]1CN(Cc2cnn(CC)c2C)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395725 558974814 /nfs/dbraw/zinc/97/48/14/558974814.db2.gz FNQHOUXDCFNLHH-YADHBBJMSA-N 0 3 423.561 3.206 40 0 HGABHN Cc1sc2ncnc(N3CCC(C(=O)N[C@H](C)CN4CCCC4)CC3)c2c1C ZINC000019716467 558978518 /nfs/dbraw/zinc/97/85/18/558978518.db2.gz HWYXNELQLNDERI-CQSZACIVSA-N 0 3 401.580 3.125 40 0 HGABHN CCN1CC2(CCN(CCc3ccccc3)CC2)COc2ccccc2S1(=O)=O ZINC000096145135 559097072 /nfs/dbraw/zinc/09/70/72/559097072.db2.gz ULANCJCNWAZXAV-UHFFFAOYSA-N 0 3 414.571 3.415 40 0 HGABHN Cc1ccc(NC(=O)c2ccc3nnc([C@@H]4CCN(Cc5cccnc5)C4)n3c2)cn1 ZINC000096156207 559100357 /nfs/dbraw/zinc/10/03/57/559100357.db2.gz FGVQNDOLAGJXMY-GOSISDBHSA-N 0 3 413.485 3.070 40 0 HGABHN CO[C@H]1CN(Cc2ccc(OCCN3CCCC3=O)cc2)C[C@@H]1Oc1cccc(C)c1 ZINC000585268769 559113767 /nfs/dbraw/zinc/11/37/67/559113767.db2.gz GSSZBHLLAJSNEK-ZEQRLZLVSA-N 0 3 424.541 3.274 40 0 HGABHN OC1(CN2CCOC[C@@](O)(COc3ccc(F)c(Cl)c3)C2)CCCCCC1 ZINC000585284665 559121285 /nfs/dbraw/zinc/12/12/85/559121285.db2.gz YZUZBVUHRSKNJG-HXUWFJFHSA-N 0 3 401.906 3.007 40 0 HGABHN Cc1nc(Nc2cc([C@H]3CCN(C(=O)/C=C/CN(C)C)C3)nc(C)n2)sc1C ZINC000585293291 559125807 /nfs/dbraw/zinc/12/58/07/559125807.db2.gz ZCPYXTHANVMGQK-MOEXGYKKSA-N 0 3 400.552 3.036 40 0 HGABHN COC(=O)C1c2cc(F)ccc2C(=O)N(Cc2ccc(Br)cc2F)C1=O ZINC000034106442 560571595 /nfs/dbraw/zinc/57/15/95/560571595.db2.gz VRDRWIRJPFJGHV-OAHLLOKOSA-N 0 3 424.197 3.167 40 0 HGABHN COc1ccc(Cn2nnnc2[C@@H](CC(C)C)N2CCN(C3CCCC3)CC2)cc1 ZINC000020141391 560881590 /nfs/dbraw/zinc/88/15/90/560881590.db2.gz XPBHBAUGUJNIHZ-JOCHJYFZSA-N 0 3 412.582 3.377 40 0 HGABHN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNC[C@@H](O)c3ccccc3)o2)c1 ZINC000022108599 568475345 /nfs/dbraw/zinc/47/53/45/568475345.db2.gz NZWJRPYBXMSQOQ-HXUWFJFHSA-N 0 3 409.438 3.343 40 0 HGABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 ZINC000223279708 568543955 /nfs/dbraw/zinc/54/39/55/568543955.db2.gz WEAFRXZXXLMPLT-SFTDATJTSA-N 0 3 407.543 3.112 40 0 HGABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000224008576 568566112 /nfs/dbraw/zinc/56/61/12/568566112.db2.gz HXDRUJXVXBWPMZ-CQSZACIVSA-N 0 3 402.944 3.060 40 0 HGABHN CCCn1c2ccc(S(=O)(=O)NCCCN3CCCCCC3)cc2sc1=O ZINC000225727682 568668545 /nfs/dbraw/zinc/66/85/45/568668545.db2.gz GSLRBZFZIFRYCT-UHFFFAOYSA-N 0 3 411.593 3.017 40 0 HGABHN OCc1ccc(CN2CC[C@]3(C2)COCc2cnc(NCc4ccccc4)nc23)cc1 ZINC000247945963 568746063 /nfs/dbraw/zinc/74/60/63/568746063.db2.gz QXGYADVRXUGFAP-VWLOTQADSA-N 0 3 416.525 3.255 40 0 HGABHN NC(=O)[C@@]1(c2ccccn2)CCCN(Cc2ccccc2OCc2ccccn2)C1 ZINC000257212076 568779585 /nfs/dbraw/zinc/77/95/85/568779585.db2.gz CBVGLQQPOMOTKT-DEOSSOPVSA-N 0 3 402.498 3.075 40 0 HGABHN CCOc1ccc(CN2CCC(c3cncc(Nc4ncccn4)n3)CC2)cc1CO ZINC000257278179 568798044 /nfs/dbraw/zinc/79/80/44/568798044.db2.gz OBDXOQDPQIZPHL-UHFFFAOYSA-N 0 3 420.517 3.281 40 0 HGABHN O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257280675 568798680 /nfs/dbraw/zinc/79/86/80/568798680.db2.gz OLWBCKRDBQHMCW-FQEVSTJZSA-N 0 3 409.452 3.395 40 0 HGABHN CCCCc1cc(C(=O)N2CCC[C@@](O)(CN(C)Cc3ccc(F)cc3)CC2)[nH]n1 ZINC000257318079 568809912 /nfs/dbraw/zinc/80/99/12/568809912.db2.gz VMKKAWZIZXVJND-QHCPKHFHSA-N 0 3 416.541 3.381 40 0 HGABHN O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306132051 568894500 /nfs/dbraw/zinc/89/45/00/568894500.db2.gz KWOZQSAPOSINPM-OALUTQOASA-N 0 3 421.932 3.166 40 0 HGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccoc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306141154 568902836 /nfs/dbraw/zinc/90/28/36/568902836.db2.gz VMRUAEYDKAPYQI-URXFXBBRSA-N 0 3 419.529 3.470 40 0 HGABHN CCC(=O)N1CCc2cc([C@@H](O)CN3CCC[C@@](O)(c4ccccc4OC)C3)ccc21 ZINC000012181132 569344593 /nfs/dbraw/zinc/34/45/93/569344593.db2.gz BYBQVVZADSKVRJ-DHLKQENFSA-N 0 3 424.541 3.011 40 0 HGABHN O=C(CN1CC[C@H](c2cc(COc3ccccc3F)n[nH]2)C1)NC1CCCCC1 ZINC000019738948 569348686 /nfs/dbraw/zinc/34/86/86/569348686.db2.gz OXQHOHCYYJDVJM-INIZCTEOSA-N 0 3 400.498 3.366 40 0 HGABHN C[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857107 569352110 /nfs/dbraw/zinc/35/21/10/569352110.db2.gz BXLUAGFQRDOCEO-LPHOPBHVSA-N 0 3 418.534 3.319 40 0 HGABHN CC(C)c1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NCCN(C)C)n1 ZINC000328974192 571306404 /nfs/dbraw/zinc/30/64/04/571306404.db2.gz FDWXHLJVWFNMIU-UHFFFAOYSA-N 0 3 423.483 4.035 40 0 HGABHN CCCNC(=O)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(OC)cc2)nn1C ZINC000008635297 291234025 /nfs/dbraw/zinc/23/40/25/291234025.db2.gz WHTNZQHPDMCEMQ-NSHGMRRFSA-N 0 3 412.534 3.410 40 0 biogenic,in-vitro HGABHN COc1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1 ZINC000008635403 291239884 /nfs/dbraw/zinc/23/98/84/291239884.db2.gz LNFZAYRNXSIKEL-NSHGMRRFSA-N 0 3 420.513 3.297 40 0 biogenic,in-vitro HGABHN CC(=O)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4cccc(C)c4)CC3)ccc21 ZINC000012326559 132358746 /nfs/dbraw/zinc/35/87/46/132358746.db2.gz UVRLYJQWDCYCBN-DEOSSOPVSA-N 0 3 408.542 3.311 40 0 HGABHN Cc1cccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)c1 ZINC000044857117 524387580 /nfs/dbraw/zinc/38/75/80/524387580.db2.gz YSNFTZCHFUASJS-SFHVURJKSA-N 0 3 414.571 3.488 40 0 HGABHN CC(=O)N1c2ccc([C@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)cc2C[C@H]1C ZINC000012146833 558338120 /nfs/dbraw/zinc/33/81/20/558338120.db2.gz VLOYFEDSIKUYRS-WAIKUNEKSA-N 0 3 412.505 3.140 40 0 HGABHN CC(C)n1c2ccc(S(=O)(=O)N3CCCC[C@H]3CN3CCCCC3)cc2oc1=O ZINC000012220620 558355624 /nfs/dbraw/zinc/35/56/24/558355624.db2.gz FKBXPEYNLYAUGW-KRWDZBQOSA-N 0 3 421.563 3.205 40 0 HGABHN CC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293414 558366536 /nfs/dbraw/zinc/36/65/36/558366536.db2.gz BLNYQDPZICOFAH-VXKWHMMOSA-N 0 3 410.514 3.338 40 0 HGABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(CC)cc1 ZINC000020636809 558396105 /nfs/dbraw/zinc/39/61/05/558396105.db2.gz DZNASELIPNGVDN-NHCUHLMSSA-N 0 3 405.498 3.014 40 0 HGABHN CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2CN2CCN(C3CCCC3)CC2)C1 ZINC000023089286 558533871 /nfs/dbraw/zinc/53/38/71/558533871.db2.gz ZUZHQNUAJZGWEA-IBGZPJMESA-N 0 3 409.578 3.349 40 0 HGABHN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2)cc1 ZINC000039763774 558685863 /nfs/dbraw/zinc/68/58/63/558685863.db2.gz JGDYOJDVYYTLTJ-UHFFFAOYSA-N 0 3 421.541 3.318 40 0 HGABHN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)[C@@H](C)N3CCCCC3)CC1)N2 ZINC000019128361 558845004 /nfs/dbraw/zinc/84/50/04/558845004.db2.gz PEKWZKUYLHYDLI-BPQIPLTHSA-N 0 3 409.525 3.295 40 0 HGABHN OC1(c2ccc(F)cc2)CCN(Cc2ccc(OCCN3CCOCC3)cc2)CC1 ZINC000019333784 558869192 /nfs/dbraw/zinc/86/91/92/558869192.db2.gz LRDMWTPYOHGUSK-UHFFFAOYSA-N 0 3 414.521 3.020 40 0 HGABHN c1cncc(CN2CCC[C@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)c1 ZINC000019339029 558870847 /nfs/dbraw/zinc/87/08/47/558870847.db2.gz LHKQVTJNOUOCKG-NRFANRHFSA-N 0 3 416.529 3.150 40 0 HGABHN O=C(c1cc([C@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1)N1CCC(O)CC1 ZINC000019347017 558873582 /nfs/dbraw/zinc/87/35/82/558873582.db2.gz BDYHQQRBDOEVHN-IBGZPJMESA-N 0 3 420.513 3.199 40 0 HGABHN COc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)ccc1OC(C)C ZINC000019450782 558889059 /nfs/dbraw/zinc/88/90/59/558889059.db2.gz BWNXHDWLQWTTNZ-XPWALMASSA-N 0 3 410.558 3.345 40 0 HGABHN CCCOc1c(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cccc1OC ZINC000019503808 558900805 /nfs/dbraw/zinc/90/08/05/558900805.db2.gz GZAXKRNQCJBMIL-XPWALMASSA-N 0 3 410.558 3.346 40 0 HGABHN CCn1cc(CN2C[C@@H](c3cccnc3)[C@]3(C2)COCCC(=O)N3)c2ccc(F)cc21 ZINC000019524737 558906065 /nfs/dbraw/zinc/90/60/65/558906065.db2.gz BUOKYQAKSVBRMS-URXFXBBRSA-N 0 3 422.504 3.070 40 0 HGABHN COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2NC(=O)c2ccccn2)cc1OC ZINC000019561451 558922094 /nfs/dbraw/zinc/92/20/94/558922094.db2.gz DWVBQYMZCQDERX-IRLDBZIGSA-N 0 3 417.509 3.497 40 0 HGABHN COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2NC(=O)c2cn(C)nc2C)cc1 ZINC000019583649 558938019 /nfs/dbraw/zinc/93/80/19/558938019.db2.gz RSPKKKBPFIEFCE-PKTZIBPZSA-N 0 3 404.514 3.135 40 0 HGABHN CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2cccnc2)C1 ZINC000019591338 558941644 /nfs/dbraw/zinc/94/16/44/558941644.db2.gz BJLYOQXRZHXHBN-XMMPIXPASA-N 0 3 401.514 3.110 40 0 HGABHN Cc1nc(C2CCN(Cc3ccc4[nH]ccc4c3)CC2)ncc1C(=O)N1CCOCC1 ZINC000072346276 558943349 /nfs/dbraw/zinc/94/33/49/558943349.db2.gz LNNNKVUAMMVQTF-UHFFFAOYSA-N 0 3 419.529 3.118 40 0 HGABHN COc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2CN2CCCCC2)CC1 ZINC000019654671 558948008 /nfs/dbraw/zinc/94/80/08/558948008.db2.gz HAKCGVRZFWPDBX-UHFFFAOYSA-N 0 3 421.541 3.279 40 0 HGABHN COCc1ccc(OC)c(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)c1 ZINC000072352943 558949438 /nfs/dbraw/zinc/94/94/38/558949438.db2.gz RSPVRODVYWDRDD-IBGZPJMESA-N 0 3 420.513 3.367 40 0 HGABHN COCc1ccc(OC)c(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)c1 ZINC000072352943 558949440 /nfs/dbraw/zinc/94/94/40/558949440.db2.gz RSPVRODVYWDRDD-IBGZPJMESA-N 0 3 420.513 3.367 40 0 HGABHN Cn1cc(C(=O)NC2CCN(CC3(c4cccc(F)c4)CCCC3)CC2)ccc1=O ZINC000072393476 558972982 /nfs/dbraw/zinc/97/29/82/558972982.db2.gz NBGXLCCTYHHNIP-UHFFFAOYSA-N 0 3 411.521 3.231 40 0 HGABHN CCn1nc(C)c(NC(=O)CN2CCC[C@@H](Cc3nc4ccc(F)cc4[nH]3)C2)c1C ZINC000019715499 558976495 /nfs/dbraw/zinc/97/64/95/558976495.db2.gz UAAVDCNCPFARIX-INIZCTEOSA-N 0 3 412.513 3.428 40 0 HGABHN CCCN1CCN(C(=O)C(C)(C)N)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183574 559070410 /nfs/dbraw/zinc/07/04/10/559070410.db2.gz BZDSDJFPSZYUFI-NRFANRHFSA-N 0 3 407.558 3.330 40 0 HGABHN O=C(Nc1ccccc1)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1 ZINC000096144612 559096768 /nfs/dbraw/zinc/09/67/68/559096768.db2.gz FFXRJQYGEHBTIC-NRFANRHFSA-N 0 3 402.498 3.412 40 0 HGABHN COc1ccc(-c2ncnc3c2c(C(=O)N2CC[C@H](N(C)C)C2)c2ccccn23)cc1 ZINC000096146691 559098036 /nfs/dbraw/zinc/09/80/36/559098036.db2.gz NUARHEZTOSVPNR-KRWDZBQOSA-N 0 3 415.497 3.334 40 0 HGABHN Cc1csc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)/C=C/CN(C)C)n2)n1 ZINC000585292356 559124833 /nfs/dbraw/zinc/12/48/33/559124833.db2.gz LCCHANPHASQVKZ-DYLHUKMJSA-N 0 3 400.552 3.465 40 0 HGABHN Cn1cc(-c2ccc3c(c2)O[C@H]2CN(CCCc4ccccc4)C[C@H]2N(C)C3=O)cn1 ZINC000514289024 560033459 /nfs/dbraw/zinc/03/34/59/560033459.db2.gz FGMRFVMSXYJEPD-VWNXMTODSA-N 0 3 416.525 3.237 40 0 biogenic,in-vitro HGABHN CC(=O)Nc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1 ZINC000105331244 560738220 /nfs/dbraw/zinc/73/82/20/560738220.db2.gz DJDMICDWJVQSJI-FQEVSTJZSA-N 0 3 424.888 3.244 40 0 HGABHN COc1ccc(Cn2nnnc2[C@H](C(C)C)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022929432 568501376 /nfs/dbraw/zinc/50/13/76/568501376.db2.gz DSVONBMUUUPUAR-QFIPXVFZSA-N 0 3 412.582 3.377 40 0 HGABHN Cc1ccc(C(=O)NCCN2C[C@H](C)C[C@@H](C)C2)c(I)c1 ZINC000225028005 568610031 /nfs/dbraw/zinc/61/00/31/568610031.db2.gz KMXVAALSWALYKU-ZIAGYGMSSA-N 0 3 400.304 3.307 40 0 HGABHN CN1CCC(Oc2ccc(CNC(=S)Nc3ccc4c(c3)OCCO4)cc2)CC1 ZINC000225772768 568673426 /nfs/dbraw/zinc/67/34/26/568673426.db2.gz NCPSXPKNZZHPJU-UHFFFAOYSA-N 0 3 413.543 3.417 40 0 HGABHN COC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 ZINC000242495199 568688639 /nfs/dbraw/zinc/68/86/39/568688639.db2.gz FZKUGDLVSLHEID-GUDVDZBRSA-N 0 3 424.360 3.289 40 0 HGABHN NC(=O)[C@]1(c2ccccn2)CCCN(Cc2ccccc2OCc2ccccn2)C1 ZINC000257212077 568779532 /nfs/dbraw/zinc/77/95/32/568779532.db2.gz CBVGLQQPOMOTKT-XMMPIXPASA-N 0 3 402.498 3.075 40 0 HGABHN CCCN1CCN(CCC(N)=O)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257282156 568799063 /nfs/dbraw/zinc/79/90/63/568799063.db2.gz OSPALTNXWVKFED-FQEVSTJZSA-N 0 3 411.521 3.081 40 0 HGABHN CNC(=O)[C@]1(c2ccccn2)CCCN(Cc2ccccc2OCc2ccccn2)C1 ZINC000257306413 568806432 /nfs/dbraw/zinc/80/64/32/568806432.db2.gz SUEUSIVAUHZOJG-RUZDIDTESA-N 0 3 416.525 3.335 40 0 HGABHN O=C(c1ccc(CN2CCCC2)cc1)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1 ZINC000257334718 568814501 /nfs/dbraw/zinc/81/45/01/568814501.db2.gz YHBWGMNYKHRQKS-OAQYLSRUSA-N 0 3 402.502 3.235 40 0 HGABHN CC(C)NC(=O)N1C[C@H]2CC[C@H](CNC(=O)Cc3ccccc3)N2Cc2ccccc21 ZINC000306130025 568892567 /nfs/dbraw/zinc/89/25/67/568892567.db2.gz IUGRHOYVPBIZPZ-FGZHOGPDSA-N 0 3 420.557 3.317 40 0 HGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccco3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306133216 568895306 /nfs/dbraw/zinc/89/53/06/568895306.db2.gz MFKDTSHKJNOXDP-URXFXBBRSA-N 0 3 419.529 3.470 40 0 HGABHN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218048452 568924774 /nfs/dbraw/zinc/92/47/74/568924774.db2.gz FDKSSCHDQAEKOZ-XQBPLPMBSA-N 0 3 416.543 3.157 40 0 HGABHN O=C(c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)F)N1CCN2CCC[C@H]2C1 ZINC000002776930 568932050 /nfs/dbraw/zinc/93/20/50/568932050.db2.gz RLXRTJOGRSMXIS-HNNXBMFYSA-N 0 3 415.419 3.393 40 0 HGABHN C[C@H]1CCCN(c2cc(C(=O)N(C[C@H]3CCCO3)C3CCN(C)CC3)ccn2)C1 ZINC000248100391 569316161 /nfs/dbraw/zinc/31/61/61/569316161.db2.gz DOQWFNZBIGCUGX-GHTZIAJQSA-N 0 3 400.567 3.033 40 0 HGABHN Cc1cccc(CN2CCC(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)CC2)c1 ZINC000009063043 569342327 /nfs/dbraw/zinc/34/23/27/569342327.db2.gz QXTZOWZBYWHVMK-UHFFFAOYSA-N 0 3 415.559 3.242 40 0 HGABHN CN(C)CCNc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccncc2)n1 ZINC000328975654 571304660 /nfs/dbraw/zinc/30/46/60/571304660.db2.gz FLLXBBGHCRWZTR-UHFFFAOYSA-N 0 3 400.433 3.857 40 0 HGABHN C[C@@H](C(=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1)N1CCCC1=O ZINC000072393445 524169284 /nfs/dbraw/zinc/16/92/84/524169284.db2.gz BKBXFFHRWDGOJJ-SFHVURJKSA-N 0 3 415.553 3.229 40 0 HGABHN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccn2)nc(NCCN(C)C)n1 ZINC000328959332 526250184 /nfs/dbraw/zinc/25/01/84/526250184.db2.gz ATEBOLJEZMJZED-UHFFFAOYSA-N 0 3 416.451 3.427 40 0 HGABHN Cc1nc2c(O)cccn2c(=O)c1CCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000044136143 527092401 /nfs/dbraw/zinc/09/24/01/527092401.db2.gz MLGMRYPFEBQSBO-UHFFFAOYSA-N 0 3 422.460 3.411 40 0 in-vitro HGABHN Cc1nc2cc(Nc3cc(-c4ccccn4)nc(NCCN(C)C)n3)ccc2s1 ZINC000328963483 527124066 /nfs/dbraw/zinc/12/40/66/527124066.db2.gz BOVNYOIJCCMFOI-UHFFFAOYSA-N 0 3 405.531 3.018 40 0 HGABHN O=C(c1ccc(F)cc1)C1CCN(CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000002019989 557299051 /nfs/dbraw/zinc/29/90/51/557299051.db2.gz MLDQSYUQSLUEPG-UHFFFAOYSA-N 0 3 423.488 3.204 40 0 in-man HGABHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1cccc(OC)c1 ZINC000019819146 558289322 /nfs/dbraw/zinc/28/93/22/558289322.db2.gz SIEWFURZEXCNBN-SFHVURJKSA-N 0 3 412.417 3.273 40 0 HGABHN CN(C)CCNc1nc(-c2ccncc2)nc2c1CCN(Cc1ccccc1F)C2 ZINC000012123275 558331075 /nfs/dbraw/zinc/33/10/75/558331075.db2.gz JLDIZMHVJSSEOJ-UHFFFAOYSA-N 0 3 406.509 3.210 40 0 HGABHN Cc1nn(-c2ccccc2C)c(C)c1CC(=O)N(CCN(C)C)Cc1cccnc1 ZINC000012238273 558359153 /nfs/dbraw/zinc/35/91/53/558359153.db2.gz PYZGEGPBPPSOCJ-UHFFFAOYSA-N 0 3 405.546 3.325 40 0 HGABHN CCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(OC)ccc2O3)cc1 ZINC000012293667 558367046 /nfs/dbraw/zinc/36/70/46/558367046.db2.gz GFTZFYRDDBMVNZ-FGZHOGPDSA-N 0 3 413.514 3.478 40 0 HGABHN CC(C)NC(=O)Cn1cc(CN2CCC(NC(=O)C3CCCC3)CC2)c2ccccc21 ZINC000012363923 558387491 /nfs/dbraw/zinc/38/74/91/558387491.db2.gz RZNCMEGYQWBISD-UHFFFAOYSA-N 0 3 424.589 3.437 40 0 HGABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1cccc(Cl)c1 ZINC000020637008 558396405 /nfs/dbraw/zinc/39/64/05/558396405.db2.gz XSFXNOYACYLDOM-MOPGFXCFSA-N 0 3 411.889 3.105 40 0 HGABHN CCOC(=O)C1=C([O-])NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000020637008 558396409 /nfs/dbraw/zinc/39/64/09/558396409.db2.gz XSFXNOYACYLDOM-MOPGFXCFSA-N 0 3 411.889 3.105 40 0 HGABHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013682437 558567420 /nfs/dbraw/zinc/56/74/20/558567420.db2.gz JTFYPXCICZRQHL-UHFFFAOYSA-N 0 3 421.541 3.359 40 0 HGABHN COCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030940030 558745408 /nfs/dbraw/zinc/74/54/08/558745408.db2.gz PUPWYGIJZYYFCV-SFHVURJKSA-N 0 3 413.493 3.053 40 0 HGABHN COc1ccccc1[C@@]1(O)CCCN(C[C@H](O)c2ccc3c(c2)CCCN3C(C)=O)C1 ZINC000036741209 558802132 /nfs/dbraw/zinc/80/21/32/558802132.db2.gz LFWQSCDXWXCRGA-UKILVPOCSA-N 0 3 424.541 3.011 40 0 HGABHN O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000038831183 558816767 /nfs/dbraw/zinc/81/67/67/558816767.db2.gz QTUGXMIVLFGRKW-UHFFFAOYSA-N 0 3 407.558 3.047 40 0 HGABHN Cc1c(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000038850164 558818620 /nfs/dbraw/zinc/81/86/20/558818620.db2.gz MVXDUKLRAWYYFN-LJQANCHMSA-N 0 3 422.504 3.474 40 0 HGABHN C[C@@H](C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)N1CCCCC1 ZINC000019080256 558839107 /nfs/dbraw/zinc/83/91/07/558839107.db2.gz SIVANCYIBBKWSC-INIZCTEOSA-N 0 3 410.547 3.059 40 0 HGABHN Cc1nc2cc(C)c(C)cc2n1CC(=O)N(CCN(C)C)Cc1ccc2c(c1)OCO2 ZINC000019125206 558844330 /nfs/dbraw/zinc/84/43/30/558844330.db2.gz BRAUZHKRULJPTI-UHFFFAOYSA-N 0 3 422.529 3.281 40 0 HGABHN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CN3CCCCCC3)C1)N2 ZINC000019127894 558844934 /nfs/dbraw/zinc/84/49/34/558844934.db2.gz NQFJABAXMBTGRU-FGTMMUONSA-N 0 3 409.525 3.297 40 0 HGABHN O=C(CCc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019370658 558878828 /nfs/dbraw/zinc/87/88/28/558878828.db2.gz NDXYHRBOCASWKL-LJQANCHMSA-N 0 3 420.557 3.019 40 0 HGABHN O=C(CCc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019370658 558878831 /nfs/dbraw/zinc/87/88/31/558878831.db2.gz NDXYHRBOCASWKL-LJQANCHMSA-N 0 3 420.557 3.019 40 0 HGABHN O=C1CCCN1c1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000019374909 558881509 /nfs/dbraw/zinc/88/15/09/558881509.db2.gz USBVQOHNEULINU-FGZHOGPDSA-N 0 3 422.525 3.198 40 0 HGABHN Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNC[C@@H]3COc4ccccc4O3)cc12 ZINC000057810307 558890674 /nfs/dbraw/zinc/89/06/74/558890674.db2.gz TUPXMHWKJIJXNO-GOSISDBHSA-N 0 3 420.444 3.091 40 0 HGABHN COc1ccc(OC)c(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 ZINC000019551509 558915685 /nfs/dbraw/zinc/91/56/85/558915685.db2.gz UIBLVSZDBWXBJT-XOKHGSTOSA-N 0 3 407.465 3.198 40 0 HGABHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc3c(c2)OCO3)c2cnn(C(C)C)c2n1 ZINC000019569444 558928270 /nfs/dbraw/zinc/92/82/70/558928270.db2.gz VOYJSAGHVPSONB-UHFFFAOYSA-N 0 3 423.517 3.253 40 0 HGABHN CC(=O)N1C[C@H](C(=O)N(C)CCCc2ccccc2)[C@@H](c2ccc(CN(C)C)cc2)C1 ZINC000019699204 558966539 /nfs/dbraw/zinc/96/65/39/558966539.db2.gz IRKMYMBBOIOMQN-RPBOFIJWSA-N 0 3 421.585 3.401 40 0 HGABHN CCn1nc(C)c(CN2C[C@H](NC(C)=O)[C@@H](c3cn(C)c4ccc(OC)cc34)C2)c1C ZINC000072395546 558974498 /nfs/dbraw/zinc/97/44/98/558974498.db2.gz MKAFALGFVHLPGL-PKTZIBPZSA-N 0 3 423.561 3.124 40 0 HGABHN Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(CCOc3cccc(F)c3)C[C@@H]21 ZINC000585109798 559029466 /nfs/dbraw/zinc/02/94/66/559029466.db2.gz VHYUMJVAXXRAGS-QNWVGRARSA-N 0 3 420.488 3.138 40 0 HGABHN COc1cccc(-c2nc(-c3noc4ccc(C(=O)NCCN(C)C)cc43)co2)c1 ZINC000096154340 559098904 /nfs/dbraw/zinc/09/89/04/559098904.db2.gz BUJYFYVPAPBRNM-UHFFFAOYSA-N 0 3 406.442 3.450 40 0 HGABHN CC(C)[C@H](C)NC(=O)c1ncn2c1nccc2C1CCN(Cc2cccnc2)CC1 ZINC000096155704 559099872 /nfs/dbraw/zinc/09/98/72/559099872.db2.gz DXOFTFHGONAYRE-KRWDZBQOSA-N 0 3 406.534 3.278 40 0 HGABHN O=C(c1ccccc1CN1CCCC1)N1CCOC[C@H](Cc2cccc3n[nH]cc32)C1 ZINC000585261881 559109484 /nfs/dbraw/zinc/10/94/84/559109484.db2.gz HWPCJTUHBFYCSJ-LJQANCHMSA-N 0 3 418.541 3.490 40 0 HGABHN CO[C@]1(COc2ccccc2F)CCCN(CC(=O)NCc2ccccc2)CC1 ZINC000585272064 559117850 /nfs/dbraw/zinc/11/78/50/559117850.db2.gz FJUGKHQNJMPUAO-HSZRJFAPSA-N 0 3 400.494 3.392 40 0 HGABHN CCCC(CCC)N1CCN(C(=O)COC)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282652 559120160 /nfs/dbraw/zinc/12/01/60/559120160.db2.gz MCSUXYOXIAIELZ-XMMPIXPASA-N 0 3 420.594 3.173 40 0 HGABHN CCCC(CCC)N1CCN(C(=O)COC)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282649 559120242 /nfs/dbraw/zinc/12/02/42/559120242.db2.gz MCSUXYOXIAIELZ-DEOSSOPVSA-N 0 3 420.594 3.173 40 0 HGABHN CC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585284178 559120487 /nfs/dbraw/zinc/12/04/87/559120487.db2.gz VNGMOGLZANFNRA-QHCPKHFHSA-N 0 3 406.542 3.377 40 0 HGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@H]3C2=O)cc1 ZINC000100558863 559136457 /nfs/dbraw/zinc/13/64/57/559136457.db2.gz ZWEYECKGSIUVIR-HKBOAZHASA-N 0 3 401.422 3.141 40 0 HGABHN Cc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCCn3cccn3)cc2)c(C)c1 ZINC000257220998 559283623 /nfs/dbraw/zinc/28/36/23/559283623.db2.gz DNDHGTRDTFWNNR-JOCHJYFZSA-N 0 3 409.530 3.451 40 0 HGABHN O[C@@]1(CN2CCC(F)(F)CC2)CCN(Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000257286415 559285555 /nfs/dbraw/zinc/28/55/55/559285555.db2.gz PLNKAFXSKHBSND-JOCHJYFZSA-N 0 3 417.500 3.329 40 0 HGABHN CC(C)(C)CN1CCC[C@H]1c1nc(-c2ccnc(N3CCC(C(N)=O)CC3)c2)no1 ZINC000035424702 560081113 /nfs/dbraw/zinc/08/11/13/560081113.db2.gz APDSKKUQHCXXHJ-KRWDZBQOSA-N 0 3 412.538 3.016 40 0 biogenic,in-vitro HGABHN CC(C)(C)c1nccc(C[C@H]2[C@H](NCc3cccc(Cl)c3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382208 568489443 /nfs/dbraw/zinc/48/94/43/568489443.db2.gz KUEIIYWHMSNCQM-UAFMIMERSA-N 0 3 403.954 3.118 40 0 biogenic,in-vitro HGABHN CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c(Cl)c1 ZINC000224786856 568596845 /nfs/dbraw/zinc/59/68/45/568596845.db2.gz ILJOHEJHLYLJNN-UHFFFAOYSA-N 0 3 421.950 3.237 40 0 HGABHN COC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCCC2)ccc1Cl ZINC000224801168 568597402 /nfs/dbraw/zinc/59/74/02/568597402.db2.gz ALPQTHSDSCYKKY-UHFFFAOYSA-N 0 3 422.934 3.201 40 0 HGABHN Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224826086 568598694 /nfs/dbraw/zinc/59/86/94/568598694.db2.gz CDKCJKVNYKSVOF-UHFFFAOYSA-N 0 3 415.559 3.282 40 0 HGABHN CC(C)n1c2ccc(S(=O)(=O)NCCCN3CCCCCC3)cc2sc1=O ZINC000225709873 568666636 /nfs/dbraw/zinc/66/66/36/568666636.db2.gz QRAYMTJFCHZQNE-UHFFFAOYSA-N 0 3 411.593 3.188 40 0 HGABHN CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)n1 ZINC000257211367 568779423 /nfs/dbraw/zinc/77/94/23/568779423.db2.gz BYPPROLALPACCR-NRFANRHFSA-N 0 3 412.534 3.382 40 0 HGABHN CN(CC(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1)C1CCCC1 ZINC000257267779 568795020 /nfs/dbraw/zinc/79/50/20/568795020.db2.gz MISINMCRHKQSPH-JOCHJYFZSA-N 0 3 421.969 3.077 40 0 HGABHN COc1ccc(CN2CCC3(CC2)CN(C)Cc2nnc(-c4cccs4)n23)cc1 ZINC000306124658 568887653 /nfs/dbraw/zinc/88/76/53/568887653.db2.gz BWACFMQVQWEGKY-UHFFFAOYSA-N 0 3 409.559 3.452 40 0 HGABHN Cn1[n-]c2c(c1=O)CN(Cc1cccnc1)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306128601 568891493 /nfs/dbraw/zinc/89/14/93/568891493.db2.gz HFWAFBOZQSVRJH-UHFFFAOYSA-N 0 3 403.530 3.070 40 0 HGABHN CN(C)CCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccco2)CC1 ZINC000306130786 568893108 /nfs/dbraw/zinc/89/31/08/568893108.db2.gz JPIDVUUBSDSOPK-UHFFFAOYSA-N 0 3 406.486 3.229 40 0 HGABHN Cc1ccc(CNC(=O)[C@H]2CN(C)CC3(CCN(Cc4cccs4)CC3)O2)cc1 ZINC000306140635 568902303 /nfs/dbraw/zinc/90/23/03/568902303.db2.gz UZHXBMZSLKDDBM-OAQYLSRUSA-N 0 3 413.587 3.038 40 0 HGABHN Cc1ccc(Nc2cc(C(F)(F)F)nc(NCCN(C)C)n2)c(Br)c1 ZINC000328967280 568970288 /nfs/dbraw/zinc/97/02/88/568970288.db2.gz CSXAIDJJLDEOCT-UHFFFAOYSA-N 0 3 418.261 3.127 40 0 HGABHN Cc1ccc(Nc2cc(C(F)(F)F)nc(NCCN(C)C)n2)cc1C(F)(F)F ZINC000329069775 568975711 /nfs/dbraw/zinc/97/57/11/568975711.db2.gz ZAUQFYGBEUSWEG-UHFFFAOYSA-N 0 3 407.362 3.384 40 0 HGABHN COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000009062833 569342261 /nfs/dbraw/zinc/34/22/61/569342261.db2.gz LRGJLKPBASFJOV-UHFFFAOYSA-N 0 3 410.470 3.111 40 0 HGABHN COc1ccc(-c2nc(C3CCN(Cc4cnc(C)s4)CC3)[nH]c2C(N)=O)cc1 ZINC000019698854 569346877 /nfs/dbraw/zinc/34/68/77/569346877.db2.gz DCJZEZRMSLCLJP-UHFFFAOYSA-N 0 3 411.531 3.329 40 0 HGABHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC[C@H](c2ncc(C(N)=O)c(C)n2)C1 ZINC000019763440 569348892 /nfs/dbraw/zinc/34/88/92/569348892.db2.gz YCHQEGKQKWTAAF-KRWDZBQOSA-N 0 3 422.508 3.205 40 0 HGABHN CN(c1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1)S(C)(=O)=O ZINC000044786964 569351977 /nfs/dbraw/zinc/35/19/77/569351977.db2.gz WFNZXPNWJCXTHQ-KRWDZBQOSA-N 0 3 419.522 3.072 40 0 HGABHN COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc(NC(C)=O)cc2)C3)cc1 ZINC000096269256 291239175 /nfs/dbraw/zinc/23/91/75/291239175.db2.gz DYLONYKFWFVNNV-NRFANRHFSA-N 0 3 406.486 3.206 40 0 biogenic,in-vitro HGABHN COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)N(C2CCOCC2)C3)cc1 ZINC000096111884 291239873 /nfs/dbraw/zinc/23/98/73/291239873.db2.gz DKCQOWHAFZPBMZ-UNMCSNQZSA-N 0 3 408.498 3.243 40 0 biogenic,in-vitro HGABHN CC(=O)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4ccccc4C)CC3)ccc21 ZINC000012291262 132358016 /nfs/dbraw/zinc/35/80/16/132358016.db2.gz FTTDSNGRVQEZMV-DEOSSOPVSA-N 0 3 408.542 3.311 40 0 HGABHN CN(c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1)S(C)(=O)=O ZINC000044786962 523647578 /nfs/dbraw/zinc/64/75/78/523647578.db2.gz WFNZXPNWJCXTHQ-QGZVFWFLSA-N 0 3 419.522 3.072 40 0 HGABHN CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000020048391 558328112 /nfs/dbraw/zinc/32/81/12/558328112.db2.gz OGEGGCUQFAVZSY-HNNXBMFYSA-N 0 3 401.960 3.096 40 0 HGABHN CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000020048391 558328115 /nfs/dbraw/zinc/32/81/15/558328115.db2.gz OGEGGCUQFAVZSY-HNNXBMFYSA-N 0 3 401.960 3.096 40 0 HGABHN CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCCCN3CCCC3=O)cc12 ZINC000012186363 558345402 /nfs/dbraw/zinc/34/54/02/558345402.db2.gz LLNSAPYHPOZRPP-UHFFFAOYSA-N 0 3 421.545 3.113 40 0 HGABHN COc1ccccc1OCCNCc1cc2c(C)nn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000012186874 558345973 /nfs/dbraw/zinc/34/59/73/558345973.db2.gz BWPZLJLCWGBBHW-UHFFFAOYSA-N 0 3 422.460 3.339 40 0 HGABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1OC ZINC000012329683 558384606 /nfs/dbraw/zinc/38/46/06/558384606.db2.gz JGKMQMAJQMCTGP-VQTJNVASSA-N 0 3 413.514 3.396 40 0 HGABHN COc1ccccc1OC[C@H]1CCCN(Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000012364381 558387650 /nfs/dbraw/zinc/38/76/50/558387650.db2.gz NAAUMQOQAFDPHD-SFHVURJKSA-N 0 3 407.514 3.426 40 0 HGABHN COc1ccccc1OC[C@@H]1CCCN(Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000012364379 558387663 /nfs/dbraw/zinc/38/76/63/558387663.db2.gz NAAUMQOQAFDPHD-GOSISDBHSA-N 0 3 407.514 3.426 40 0 HGABHN COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)c1 ZINC000100947397 558813458 /nfs/dbraw/zinc/81/34/58/558813458.db2.gz BQIMYQISQAQYDN-BDTNDASRSA-N 0 3 416.433 3.452 40 0 HGABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)c1 ZINC000100947397 558813459 /nfs/dbraw/zinc/81/34/59/558813459.db2.gz BQIMYQISQAQYDN-BDTNDASRSA-N 0 3 416.433 3.452 40 0 HGABHN Cc1ccc(CN2CCC(C(=O)NCc3cccc(CN4CCOCC4)c3)CC2)cc1 ZINC000038831249 558816669 /nfs/dbraw/zinc/81/66/69/558816669.db2.gz NZQATYDRECBBNM-UHFFFAOYSA-N 0 3 421.585 3.356 40 0 HGABHN COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)CC1 ZINC000038836198 558817941 /nfs/dbraw/zinc/81/79/41/558817941.db2.gz KFNSUFDRIIACPT-FQEVSTJZSA-N 0 3 411.521 3.395 40 0 HGABHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@@H]2C1=O ZINC000100969857 558822763 /nfs/dbraw/zinc/82/27/63/558822763.db2.gz CAUKAGFZMJWBNQ-FKBYEOEOSA-N 0 3 416.433 3.452 40 0 HGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@@H]3C2=O)cc1 ZINC000017784726 558827998 /nfs/dbraw/zinc/82/79/98/558827998.db2.gz ZWEYECKGSIUVIR-ACRUOGEOSA-N 0 3 401.422 3.141 40 0 HGABHN Cc1ccc(CN2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCCC4)n3)C2)o1 ZINC000019216640 558850488 /nfs/dbraw/zinc/85/04/88/558850488.db2.gz URLUEHKPRZVDHQ-WOJBJXKFSA-N 0 3 411.550 3.109 40 0 HGABHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000019334136 558869487 /nfs/dbraw/zinc/86/94/87/558869487.db2.gz QTLHYTPIMZXBFS-IBGZPJMESA-N 0 3 404.518 3.359 40 0 HGABHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000019334132 558869539 /nfs/dbraw/zinc/86/95/39/558869539.db2.gz QTLHYTPIMZXBFS-LJQANCHMSA-N 0 3 404.518 3.359 40 0 HGABHN OC1(c2ccc(F)cc2)CCN(Cc2ccccc2OCCN2CCOCC2)CC1 ZINC000019348855 558874619 /nfs/dbraw/zinc/87/46/19/558874619.db2.gz XUAZDEGLXMTUHB-UHFFFAOYSA-N 0 3 414.521 3.020 40 0 HGABHN CCOC(=O)C1C(CN2C[C@@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000055220606 558876520 /nfs/dbraw/zinc/87/65/20/558876520.db2.gz GNKWWMYSQVHRQX-NJSLBKSFSA-N 0 3 405.926 3.489 40 0 HGABHN c1csc(Cn2nnnc2[C@H](c2ccccc2)N2CCN(C3CCCC3)CC2)c1 ZINC000019369678 558878208 /nfs/dbraw/zinc/87/82/08/558878208.db2.gz KOWCBGMLPKRVKM-NRFANRHFSA-N 0 3 408.575 3.433 40 0 HGABHN O=C(c1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019400038 558882620 /nfs/dbraw/zinc/88/26/20/558882620.db2.gz UQOZCSYKHDNDFO-NRFANRHFSA-N 0 3 421.545 3.493 40 0 HGABHN O=C(c1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019400038 558882622 /nfs/dbraw/zinc/88/26/22/558882622.db2.gz UQOZCSYKHDNDFO-NRFANRHFSA-N 0 3 421.545 3.493 40 0 HGABHN O=C(c1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2 ZINC000019400038 558882626 /nfs/dbraw/zinc/88/26/26/558882626.db2.gz UQOZCSYKHDNDFO-NRFANRHFSA-N 0 3 421.545 3.493 40 0 HGABHN CCc1oc2ccccc2c1CN1C[C@@H](c2cccnc2)[C@]2(C1)COCCC(=O)N2 ZINC000019521361 558902581 /nfs/dbraw/zinc/90/25/81/558902581.db2.gz GTATWWDTMPCUFL-RDPSFJRHSA-N 0 3 405.498 3.265 40 0 HGABHN CCOCc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)ccc1OC ZINC000019531194 558911907 /nfs/dbraw/zinc/91/19/07/558911907.db2.gz JXYITIWSSJXLES-KMDXXIMOSA-N 0 3 410.558 3.094 40 0 HGABHN C[NH+]1CCC(c2nc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)cc(=O)[n-]2)CC1 ZINC000019588196 558940099 /nfs/dbraw/zinc/94/00/99/558940099.db2.gz CMMSWGRFAWIFFU-SFHVURJKSA-N 0 3 412.509 3.079 40 0 HGABHN Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(CCC(=O)N3CCOCC3)C2)n1 ZINC000072374863 558963153 /nfs/dbraw/zinc/96/31/53/558963153.db2.gz XVGBFDDQVYPTIF-HXUWFJFHSA-N 0 3 423.561 3.265 40 0 HGABHN CN1CCC(C(=O)N2CCC[C@@H]2c2cc(CCOc3ccccc3F)n[nH]2)CC1 ZINC000019703771 558967928 /nfs/dbraw/zinc/96/79/28/558967928.db2.gz SJTMLORITBZBBG-HXUWFJFHSA-N 0 3 400.498 3.176 40 0 HGABHN CCc1cc(CNC(=O)c2ccc([C@H]3CCCN(Cc4ccccn4)C3)nc2)on1 ZINC000019706002 558968455 /nfs/dbraw/zinc/96/84/55/558968455.db2.gz XQOGOCDQLRGPJE-SFHVURJKSA-N 0 3 405.502 3.337 40 0 HGABHN CCn1cc(CN2CCC3(CC(NC(=O)c4nnsc4C(C)C)C3)CC2)cn1 ZINC000585104110 559025870 /nfs/dbraw/zinc/02/58/70/559025870.db2.gz WFKUQAJEPKQJFL-UHFFFAOYSA-N 0 3 402.568 3.053 40 0 HGABHN COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CN3C[C@@H](C)c3ccccc3)C2)c1 ZINC000585107934 559029684 /nfs/dbraw/zinc/02/96/84/559029684.db2.gz GQDSFXBAETZEBS-SFGWALBWSA-N 0 3 400.544 3.194 40 0 HGABHN Cc1occc1C(=O)N1CCC2(C[C@H](CC(=O)NCCN(C)C)c3ccccc32)CC1 ZINC000096052885 559092643 /nfs/dbraw/zinc/09/26/43/559092643.db2.gz CCMDCFFJJVMETI-IBGZPJMESA-N 0 3 423.557 3.317 40 0 HGABHN CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccc(C)s1)CCC2 ZINC000096056058 559093763 /nfs/dbraw/zinc/09/37/63/559093763.db2.gz DFBRMKJQZYUHIT-UWJYYQICSA-N 0 3 400.548 3.128 40 0 HGABHN Cc1nc(-c2cc(C(=O)N3CC[C@H](N(C)C)C3)c3ccccn23)cn1-c1ccccn1 ZINC000096154975 559099299 /nfs/dbraw/zinc/09/92/99/559099299.db2.gz LDTAULXXKZEKIB-SFHVURJKSA-N 0 3 414.513 3.272 40 0 HGABHN CCN(C)C(=O)c1ncn2c1nccc2C1CCN(Cc2ccc(OC)cc2)CC1 ZINC000096155733 559099867 /nfs/dbraw/zinc/09/98/67/559099867.db2.gz PVRIJMMZDNDSKV-UHFFFAOYSA-N 0 3 407.518 3.209 40 0 HGABHN CN1CCN(c2ccc(NC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)cc2)CC1 ZINC000096627717 559111693 /nfs/dbraw/zinc/11/16/93/559111693.db2.gz AOXCHFOIRZBGRD-HXUWFJFHSA-N 0 3 410.537 3.428 40 0 HGABHN Cc1ccccc1OC[C@]1(O)COCCN(C[C@@]2(O)CC[C@H](C(C)(C)C)CC2)C1 ZINC000585287600 559123159 /nfs/dbraw/zinc/12/31/59/559123159.db2.gz PLEPWSABVDIVHH-FGCOXFRFSA-N 0 3 405.579 3.405 40 0 HGABHN Cc1csc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)/C=C/CN(C)C)n2)n1 ZINC000585292357 559124837 /nfs/dbraw/zinc/12/48/37/559124837.db2.gz LCCHANPHASQVKZ-MNDMWVCDSA-N 0 3 400.552 3.465 40 0 HGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@@H]3C2=O)cc1 ZINC000100558868 559136463 /nfs/dbraw/zinc/13/64/63/559136463.db2.gz ZWEYECKGSIUVIR-HBMCJLEFSA-N 0 3 401.422 3.141 40 0 HGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4C)[C@@H](c4cccnc4)[C@@H]3C2=O)cc1 ZINC000102873091 559153366 /nfs/dbraw/zinc/15/33/66/559153366.db2.gz PWQSEFAZOVLDGP-FKBYEOEOSA-N 0 3 415.449 3.450 40 0 HGABHN COC[C@@H]1CN(CCc2ccccc2)CCN(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000072354494 559185738 /nfs/dbraw/zinc/18/57/38/559185738.db2.gz WWIZTLHWCNBEPG-OAQYLSRUSA-N 0 3 405.542 3.360 40 0 HGABHN CN(Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)c3cc4ccccc4[nH]3)C2)OC1 ZINC000575404340 560547082 /nfs/dbraw/zinc/54/70/82/560547082.db2.gz NCLNZZBXQZGOQB-IBGZPJMESA-N 0 3 404.514 3.316 40 0 HGABHN COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(C3CCCCC3)CC2)cc1 ZINC000020139448 560881109 /nfs/dbraw/zinc/88/11/09/560881109.db2.gz XNEKYYQVXBJZIX-OAQYLSRUSA-N 0 3 412.582 3.476 40 0 HGABHN CC(C)(C)c1nccc(C[C@H]2[C@H](NCc3ccccc3Cl)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382575 568489496 /nfs/dbraw/zinc/48/94/96/568489496.db2.gz SIUBPWDCQQGURL-HNBVOPMISA-N 0 3 403.954 3.118 40 0 biogenic,in-vitro HGABHN O[C@@H]1C[C@H]2CN(Cc3ccc(Br)s3)[C@@H](Cc3ccccc3)CN2C1 ZINC000023247828 568509563 /nfs/dbraw/zinc/50/95/63/568509563.db2.gz JVHXGXPPTNWALC-YESZJQIVSA-N 0 3 407.377 3.373 40 0 HGABHN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)n1-c1cccnc1 ZINC000223261315 568543132 /nfs/dbraw/zinc/54/31/32/568543132.db2.gz HXLZQIONRSLRHY-LEWJYISDSA-N 0 3 406.559 3.110 40 0 HGABHN CCOC(=O)c1cnc(NC(=S)NCCNc2cc(C)nc3ccccc32)nc1C ZINC000225225512 568624442 /nfs/dbraw/zinc/62/44/42/568624442.db2.gz ZEPSREODLMVADM-UHFFFAOYSA-N 0 3 424.530 3.217 40 0 HGABHN COC(=O)Cc1ccc(NC(=S)NC2CCN(Cc3cccs3)CC2)cc1 ZINC000225230574 568624815 /nfs/dbraw/zinc/62/48/15/568624815.db2.gz MKERNSSKQDVIPX-UHFFFAOYSA-N 0 3 403.573 3.415 40 0 HGABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC ZINC000225696475 568665268 /nfs/dbraw/zinc/66/52/68/568665268.db2.gz SZPFTXNSSPBNIJ-HNNXBMFYSA-N 0 3 411.593 3.016 40 0 HGABHN C/C=C/c1ccc(OC[C@@H](O)CNC[C@H](c2ccc(OC)cc2)N(C)C)c(OC)c1 ZINC000096311017 568724596 /nfs/dbraw/zinc/72/45/96/568724596.db2.gz YSQGJSKNXKXPMX-OLZGAQIHSA-N 0 3 414.546 3.369 40 0 HGABHN NC(=O)[C@@]1(c2ccccn2)CCCN(Cc2cccc(OCc3ccccn3)c2)C1 ZINC000257210643 568779145 /nfs/dbraw/zinc/77/91/45/568779145.db2.gz BVOVFBSNFWDQJB-DEOSSOPVSA-N 0 3 402.498 3.075 40 0 HGABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000257214546 568780351 /nfs/dbraw/zinc/78/03/51/568780351.db2.gz CMJZQTOQNXSDDO-HSZRJFAPSA-N 0 3 410.493 3.191 40 0 HGABHN COc1cccc2c1OC1(CCN(C(=O)CN3CCCC3)CC1)[C@H]1CCCO[C@H]21 ZINC000257256051 568791837 /nfs/dbraw/zinc/79/18/37/568791837.db2.gz KJWZNMANHSBPBG-GHTZIAJQSA-N 0 3 400.519 3.012 40 0 HGABHN CC(=O)Nc1cc(NC(=O)CN2C[C@H]3[C@@H](C2)CCC[C@@H]3Cc2cnccn2)ccc1C ZINC000257257595 568792227 /nfs/dbraw/zinc/79/22/27/568792227.db2.gz KQHWUMKSJFEKIC-WOIUINJBSA-N 0 3 421.545 3.273 40 0 HGABHN Cc1cnc(Nc2cc(CC3CCN(C(=O)[C@H]4CCCCN4)CC3)nc(C)n2)s1 ZINC000257272527 568796301 /nfs/dbraw/zinc/79/63/01/568796301.db2.gz NCTBOAOIXLQXRT-GOSISDBHSA-N 0 3 414.579 3.217 40 0 HGABHN CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(Nc3ccc(F)cn3)cc(C)n2)C1 ZINC000257311561 568807732 /nfs/dbraw/zinc/80/77/32/568807732.db2.gz UKAUPGJYALTPJL-HNNXBMFYSA-N 0 3 407.515 3.044 40 0 HGABHN CC(C)NC(=O)NC[C@@H]1N(C(=O)c2cccc(Cl)c2)CCCC12CCN(C)CC2 ZINC000306128258 568891256 /nfs/dbraw/zinc/89/12/56/568891256.db2.gz GVMPQGUMMBJRBK-IBGZPJMESA-N 0 3 420.985 3.364 40 0 HGABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3Cl)C[C@@H]1C2 ZINC000306131036 568893438 /nfs/dbraw/zinc/89/34/38/568893438.db2.gz JVFRVUVEBYCXLK-IRXDYDNUSA-N 0 3 407.905 3.488 40 0 HGABHN COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CCN(Cc3ccc(F)cc3)C2)cc1 ZINC000306140770 568902591 /nfs/dbraw/zinc/90/25/91/568902591.db2.gz VDNAUZCCLSMEPK-HSZRJFAPSA-N 0 3 406.461 3.000 40 0 HGABHN Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218608770 568939695 /nfs/dbraw/zinc/93/96/95/568939695.db2.gz TZNSCRNWRYDTDD-DXIQSLLYSA-N 0 3 416.543 3.157 40 0 HGABHN CN(C)CCNc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000328958389 568969811 /nfs/dbraw/zinc/96/98/11/568969811.db2.gz ANIVSRLBYBQVHO-UHFFFAOYSA-N 0 3 402.424 3.118 40 0 HGABHN CN(C)CCNc1nc(Nc2ccccc2Br)cc(-c2ccccc2)n1 ZINC000329008474 568972383 /nfs/dbraw/zinc/97/23/83/568972383.db2.gz LQUDJTLEJFFENV-UHFFFAOYSA-N 0 3 412.335 3.467 40 0 HGABHN Cc1nc2cc(Nc3cc(-c4ccncc4)nc(NCCN(C)C)n3)ccc2s1 ZINC000329041291 568974353 /nfs/dbraw/zinc/97/43/53/568974353.db2.gz SHTHUKHPNFEXAA-UHFFFAOYSA-N 0 3 405.531 3.018 40 0 HGABHN COc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(C)c(C)c1 ZINC000004315867 569323250 /nfs/dbraw/zinc/32/32/50/569323250.db2.gz VNXZQQDHECMJME-VCOUNFBDSA-N 0 3 415.511 3.209 40 0 HGABHN COc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009407621 569324795 /nfs/dbraw/zinc/32/47/95/569324795.db2.gz FYFHGMWBQDVCQU-QRFRQXIXSA-N 0 3 421.902 3.245 40 0 HGABHN CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCN(Cc3ccc(F)cc3)C2)n1 ZINC000019694749 569346694 /nfs/dbraw/zinc/34/66/94/569346694.db2.gz AXTSFFDXFWFSEV-LJQANCHMSA-N 0 3 419.504 3.437 40 0 HGABHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000018209274 569396681 /nfs/dbraw/zinc/39/66/81/569396681.db2.gz AIRJRZRRFRLGKT-UFYCRDLUSA-N 0 3 418.405 3.117 40 0 HGABHN CNCc1cc(N(C)C)nc([C@H]2CCCN(C(=O)CCc3ccc(Cl)cc3)C2)n1 ZINC000019709622 569428851 /nfs/dbraw/zinc/42/88/51/569428851.db2.gz DYNPEJWDHCLYES-KRWDZBQOSA-N 0 3 415.969 3.254 40 0 HGABHN COc1ccc2cc(CN(C)c3ccc(N4CCN(C)CC4)cc3C)c(=O)[nH]c2c1 ZINC000013565498 537033323 /nfs/dbraw/zinc/03/33/23/537033323.db2.gz BQCLVJYYENVVRJ-UHFFFAOYSA-N 0 3 406.530 3.233 40 0 HGABHN COc1cc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cc(OC)c1OC ZINC000408613161 557531266 /nfs/dbraw/zinc/53/12/66/557531266.db2.gz XSQLNOLRFPGMNU-UHFFFAOYSA-N 0 3 410.514 3.375 40 0 HGABHN O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCN1CCCCCC1 ZINC000408704998 557730645 /nfs/dbraw/zinc/73/06/45/557730645.db2.gz WVNVPYQWGBZLCE-UHFFFAOYSA-N 0 3 415.559 3.121 40 0 HGABHN COc1cccc(CNCCCSc2nnnn2C)c1OCc1ccc(F)cc1 ZINC000007541475 557746327 /nfs/dbraw/zinc/74/63/27/557746327.db2.gz PEKKERLYCNMOGU-UHFFFAOYSA-N 0 3 417.510 3.209 40 0 HGABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(OC)cc1OC ZINC000019819077 558289030 /nfs/dbraw/zinc/28/90/30/558289030.db2.gz YZACVFKFEBHNPP-QGZVFWFLSA-N 0 3 424.453 3.142 40 0 HGABHN C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000013670838 558562154 /nfs/dbraw/zinc/56/21/54/558562154.db2.gz NXAMPIZTOZBHMO-HUUCEWRRSA-N 0 3 403.386 3.237 40 0 HGABHN CN1CCC(N(C[C@@H]2CCCO2)C(=O)c2n[nH]c3c2C[C@H](C(C)(C)C)CC3)CC1 ZINC000019082372 558840068 /nfs/dbraw/zinc/84/00/68/558840068.db2.gz FSYYZQNTUZPECY-AEFFLSMTSA-N 0 3 402.583 3.276 40 0 HGABHN COCCOc1cc(CN2C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C2)ccc1OC ZINC000019216118 558850075 /nfs/dbraw/zinc/85/00/75/558850075.db2.gz VWSKACSZYMFWHY-JXALWOEJSA-N 0 3 412.530 3.153 40 0 HGABHN CCOc1cc(C[N@@H+]2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)ccc1OC ZINC000019531906 558912083 /nfs/dbraw/zinc/91/20/83/558912083.db2.gz DJQCRVSTTDXOAY-GOSISDBHSA-N 0 3 406.486 3.229 40 0 HGABHN CCOc1cc(C[N@H+]2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)ccc1OC ZINC000019531906 558912085 /nfs/dbraw/zinc/91/20/85/558912085.db2.gz DJQCRVSTTDXOAY-GOSISDBHSA-N 0 3 406.486 3.229 40 0 HGABHN CCOc1cc2c(cc1CN1C[C@H]3CCC[C@@H](C1)C3(O)c1nccn1C)O[C@H](C)C2 ZINC000019532412 558912553 /nfs/dbraw/zinc/91/25/53/558912553.db2.gz LVTZFZLXQGDXST-PZOIHYJASA-N 0 3 411.546 3.262 40 0 HGABHN COc1cc(CN[C@@H]2CCC(=O)N[C@H]2c2ccc(F)cc2F)cc(OC)c1OC ZINC000019549926 558914562 /nfs/dbraw/zinc/91/45/62/558914562.db2.gz JOADMUYGBKAIBJ-UZLBHIALSA-N 0 3 406.429 3.100 40 0 HGABHN COc1ccc(CN2CCC([C@@H](NC(=O)C(F)F)c3ccccn3)CC2)cc1OC ZINC000019560850 558921748 /nfs/dbraw/zinc/92/17/48/558921748.db2.gz XOHMTOZPPJPEEA-HXUWFJFHSA-N 0 3 419.472 3.433 40 0 HGABHN Cc1[nH]nc2oc(=O)c(CC(=O)NC[C@@H](c3ccccc3)N3CCC(C)CC3)c(C)c12 ZINC000019577212 558933044 /nfs/dbraw/zinc/93/30/44/558933044.db2.gz DQOJKYYWRPOZRL-FQEVSTJZSA-N 0 3 422.529 3.265 40 0 HGABHN NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN2CCOc2ccc(F)cc2)c1 ZINC000072354862 558952130 /nfs/dbraw/zinc/95/21/30/558952130.db2.gz BVEGNPDYVWTMHG-FQEVSTJZSA-N 0 3 421.476 3.180 40 0 HGABHN Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(CC(=O)N3CCC(C)CC3)C2)n1 ZINC000072374861 558963069 /nfs/dbraw/zinc/96/30/69/558963069.db2.gz BDXCVYQBWJEIKI-LJQANCHMSA-N 0 3 408.550 3.362 40 0 HGABHN CN(C)c1ncc(-c2cnn(C)c2)c([C@H]2CCCN(CCOc3ccc(F)cc3)C2)n1 ZINC000019694868 558963502 /nfs/dbraw/zinc/96/35/02/558963502.db2.gz IRUZCZCJFFDFEU-KRWDZBQOSA-N 0 3 424.524 3.341 40 0 HGABHN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(OC(C)C)cc4)C[C@H]32)c(OC)n1 ZINC000072392607 558972289 /nfs/dbraw/zinc/97/22/89/558972289.db2.gz VSHLWBGZRRDRIU-XTQVGHSUSA-N 0 3 413.518 3.011 40 0 HGABHN CC(=O)N1CCc2nc(C3CCN(C)CC3)nc(NCCc3cccc(C)c3)c2C1 ZINC000019710448 558972358 /nfs/dbraw/zinc/97/23/58/558972358.db2.gz SFYBNWUTOKHBSO-UHFFFAOYSA-N 0 3 407.562 3.153 40 0 HGABHN O=C(Nc1ccccc1)[C@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1 ZINC000096144611 559096784 /nfs/dbraw/zinc/09/67/84/559096784.db2.gz FFXRJQYGEHBTIC-OAQYLSRUSA-N 0 3 402.498 3.412 40 0 HGABHN COc1ccc(CN2C[C@H]3CCN(Cc4ccccc4)CC[C@H]3S2(=O)=O)cc1 ZINC000096145398 559097274 /nfs/dbraw/zinc/09/72/74/559097274.db2.gz LRHMEKLMVWPCAT-IFMALSPDSA-N 0 3 400.544 3.121 40 0 HGABHN COc1cccc(-c2ccc3ccc(-n4ccc(C(=O)NCCN(C)C)n4)n3c2)c1 ZINC000096155441 559099682 /nfs/dbraw/zinc/09/96/82/559099682.db2.gz NMFDAXQRKUQMKC-UHFFFAOYSA-N 0 3 403.486 3.092 40 0 HGABHN CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccccc3)CC2)c2ccccc21 ZINC000096242220 559103827 /nfs/dbraw/zinc/10/38/27/559103827.db2.gz XCWJLXFWFRORNS-NRFANRHFSA-N 0 3 419.569 3.416 40 0 HGABHN CCCc1cnc(Nc2cc(C3CCN(C(=O)C(C)(C)N)CC3)nc(C)n2)s1 ZINC000585262856 559111591 /nfs/dbraw/zinc/11/15/91/559111591.db2.gz ASWNJUFSCCMCEK-UHFFFAOYSA-N 0 3 402.568 3.381 40 0 HGABHN Cc1cc(C)n(CCOc2ccc(CN(C)C[C@@H](O)COc3ccccc3)cc2)n1 ZINC000257267112 559284931 /nfs/dbraw/zinc/28/49/31/559284931.db2.gz MGAOWTPDGPKIMD-JOCHJYFZSA-N 0 3 409.530 3.451 40 0 HGABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCc3ccco3)cc2c1 ZINC000004133441 560600542 /nfs/dbraw/zinc/60/05/42/560600542.db2.gz NRVUZVSIYSXCCK-UHFFFAOYSA-N 0 3 412.559 3.122 40 0 HGABHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C1=O ZINC000005024926 568431441 /nfs/dbraw/zinc/43/14/41/568431441.db2.gz CAUKAGFZMJWBNQ-VSKRKVRLSA-N 0 3 416.433 3.452 40 0 HGABHN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccnc1 ZINC000223258241 568542827 /nfs/dbraw/zinc/54/28/27/568542827.db2.gz ULYZDXXEGJGLPX-YADHBBJMSA-N 0 3 420.586 3.418 40 0 HGABHN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1C[C@@H]1CCCO1 ZINC000223299352 568544511 /nfs/dbraw/zinc/54/45/11/568544511.db2.gz VAWSLDHIIGMQII-IOMROCGXSA-N 0 3 405.527 3.419 40 0 HGABHN CC1(C)Oc2cc(O)ccc2[C@H]2OCC3(CCN(C(=O)CN4CCCC4)CC3)C[C@@H]21 ZINC000257207776 568778275 /nfs/dbraw/zinc/77/82/75/568778275.db2.gz BJEMNLCVVCVVKT-SIKLNZKXSA-N 0 3 414.546 3.345 40 0 HGABHN COc1ccccc1[C@H]1CN(C(=O)c2ccccc2CN2CCCC2)CCN1C(C)=O ZINC000257303588 568805451 /nfs/dbraw/zinc/80/54/51/568805451.db2.gz SHWBNDMSDDCDQX-HSZRJFAPSA-N 0 3 421.541 3.337 40 0 HGABHN COc1cc2c(cc1CN1CC[C@@H](c3n[nH]cc3-c3ccnc(N)c3)C1)OCCCO2 ZINC000257319226 568810071 /nfs/dbraw/zinc/81/00/71/568810071.db2.gz VRJRGUXSSZWPTA-MRXNPFEDSA-N 0 3 421.501 3.213 40 0 HGABHN c1cn2cc(C[C@H]3COCCN(Cc4ccccc4N4CCCCC4)C3)ncc2n1 ZINC000257334383 568814421 /nfs/dbraw/zinc/81/44/21/568814421.db2.gz YFQUBHQZNNXZAI-HXUWFJFHSA-N 0 3 405.546 3.411 40 0 HGABHN Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)n1 ZINC000257344361 568817389 /nfs/dbraw/zinc/81/73/89/568817389.db2.gz ZWWUKKOSORFXNB-HNNXBMFYSA-N 0 3 415.494 3.184 40 0 HGABHN CC(C)NC(=O)N1C[C@@H]2CC[C@@H](CNC(=O)Cc3ccccc3)N2Cc2ccccc21 ZINC000306130026 568892588 /nfs/dbraw/zinc/89/25/88/568892588.db2.gz IUGRHOYVPBIZPZ-VXKWHMMOSA-N 0 3 420.557 3.317 40 0 HGABHN COc1cccc(CN2CCC3(CCc4nnc(C(=O)NC5CCCC5)n4C3)CC2)c1 ZINC000306142535 568903926 /nfs/dbraw/zinc/90/39/26/568903926.db2.gz XCGZEYYONPUPJU-UHFFFAOYSA-N 0 3 423.561 3.188 40 0 HGABHN CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccs2)CC1 ZINC000306144342 568905676 /nfs/dbraw/zinc/90/56/76/568905676.db2.gz ZCXKYIAAJFKUTG-UHFFFAOYSA-N 0 3 401.580 3.344 40 0 HGABHN COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccccc3OC)cc2c1 ZINC000004231280 569051788 /nfs/dbraw/zinc/05/17/88/569051788.db2.gz GXTCITHKGUOFHQ-UHFFFAOYSA-N 0 3 424.501 3.141 40 0 HGABHN O[C@H](CN1CCC[C@](O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000247758498 569315447 /nfs/dbraw/zinc/31/54/47/569315447.db2.gz FXGUBIVSHDAYFI-NFBKMPQASA-N 0 3 401.478 3.394 40 0 HGABHN CCn1cc(CN2CCC(c3nc(-c4ccc(OC)cc4)c(C(=O)NC)[nH]3)CC2)cn1 ZINC000019696961 569346823 /nfs/dbraw/zinc/34/68/23/569346823.db2.gz NCELUHATRHQDMQ-UHFFFAOYSA-N 0 3 422.533 3.041 40 0 HGABHN Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000252516540 569388079 /nfs/dbraw/zinc/38/80/79/569388079.db2.gz TZNSCRNWRYDTDD-WOIUINJBSA-N 0 3 416.543 3.157 40 0 HGABHN CNc1nc([C@H]2CCCN2)nc2c1CN(C(=O)CCc1nc3ccccc3s1)CC2 ZINC000019710815 569428906 /nfs/dbraw/zinc/42/89/06/569428906.db2.gz VUUPYZBTVPWHHV-QGZVFWFLSA-N 0 3 422.558 3.070 40 0 HGABHN Cc1cnc(Nc2nc(C3CCN(C(=O)[C@@H]4CCCCN4)CC3)cn3cccc23)s1 ZINC000585263385 571309453 /nfs/dbraw/zinc/30/94/53/571309453.db2.gz YDEDAXFKSFJXON-KRWDZBQOSA-N 0 3 424.574 3.691 40 0 HGABHN CC(=O)N1CCC(N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(-c4ccccc4F)c23)CC1 ZINC000008635279 291231760 /nfs/dbraw/zinc/23/17/60/291231760.db2.gz MAGXBKUVFIPCTB-ZWKOTPCHSA-N 0 3 409.505 3.084 40 0 biogenic,in-vitro HGABHN COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc3ccccc3c2)nn1C ZINC000008635467 291236576 /nfs/dbraw/zinc/23/65/76/291236576.db2.gz NGBQGXBVABXUSR-NNWRFLSQSA-N 0 3 418.541 3.181 40 0 biogenic,in-vitro HGABHN COCCNC(=O)[C@@H]1Cc2cn(Cc3ccncc3)c3cccc(c23)[C@H](CC(C)C)N1 ZINC000049171635 291236857 /nfs/dbraw/zinc/23/68/57/291236857.db2.gz OORFKDVFJMYGJX-VXKWHMMOSA-N 0 3 420.557 3.449 40 0 biogenic,in-vitro HGABHN Fc1ccc(CNC[C@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)cc1F ZINC000096269369 291242706 /nfs/dbraw/zinc/24/27/06/291242706.db2.gz OCHNJTBBXNZCHI-INIZCTEOSA-N 0 3 413.424 3.288 40 0 biogenic,in-vitro HGABHN O=C(NCc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(F)cc2)nn1 ZINC000008298190 291243633 /nfs/dbraw/zinc/24/36/33/291243633.db2.gz YNTRRQCZJFQHJC-FCEUIQTBSA-N 0 3 419.504 3.111 40 0 biogenic,in-vitro HGABHN O=C(Nc1ccccc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 ZINC000008298314 291244952 /nfs/dbraw/zinc/24/49/52/291244952.db2.gz PNVBBIITXLYMQC-ZEYPLWLESA-N 0 3 417.513 3.206 40 0 biogenic,in-vitro HGABHN C[C@H](C(=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1)N1CCCC1=O ZINC000072393446 526033362 /nfs/dbraw/zinc/03/33/62/526033362.db2.gz BKBXFFHRWDGOJJ-GOSISDBHSA-N 0 3 415.553 3.229 40 0 HGABHN COC(=O)C(CC(=O)Nc1ccc(C)cc1)C(=O)C(=O)Nc1ccccc1C(C)C ZINC000001624507 557277249 /nfs/dbraw/zinc/27/72/49/557277249.db2.gz LIWDZMHYWVWDLL-SFHVURJKSA-N 0 3 410.470 3.444 40 0 HGABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000019819035 558288975 /nfs/dbraw/zinc/28/89/75/558288975.db2.gz KTQXTVYESOQANH-LJQANCHMSA-N 0 3 421.453 3.084 40 0 HGABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc4c(c3)CCO4)CC1)C[C@H]2O ZINC000012329309 558384018 /nfs/dbraw/zinc/38/40/18/558384018.db2.gz YUPQQSBWLXTTIU-RTWAWAEBSA-N 0 3 411.498 3.014 40 0 HGABHN CCOc1c(Cl)cc(Cl)cc1CNCCc1ccc(S(N)(=O)=O)cc1 ZINC000022074725 558462469 /nfs/dbraw/zinc/46/24/69/558462469.db2.gz YRUSZOYKPSIYKC-UHFFFAOYSA-N 0 3 403.331 3.372 40 0 HGABHN COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2CN2CCCC2)c1 ZINC000027963019 558685317 /nfs/dbraw/zinc/68/53/17/558685317.db2.gz AQXKEPDXKOEFAI-UHFFFAOYSA-N 0 3 422.934 3.201 40 0 HGABHN Cc1cccc(CN2CCC(C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)c1 ZINC000038831223 558816717 /nfs/dbraw/zinc/81/67/17/558816717.db2.gz MYJNFISKPCAUEF-UHFFFAOYSA-N 0 3 421.585 3.356 40 0 HGABHN Cn1ccnc1[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCN2C2CCCCC2)CC1 ZINC000019291300 558863915 /nfs/dbraw/zinc/86/39/15/558863915.db2.gz ATHZOPWLUAKWTM-DHIUTWEWSA-N 0 3 421.589 3.061 40 0 HGABHN O=C(Nc1ccccc1CN1CCCCCC1)[C@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000019349110 558874952 /nfs/dbraw/zinc/87/49/52/558874952.db2.gz CGULCLHTZHHVBE-NRFANRHFSA-N 0 3 406.530 3.445 40 0 HGABHN O=C(c1cc([C@H]2CCCN(Cc3ccnc4ccccc34)C2)no1)N1CCC(O)CC1 ZINC000019376076 558882316 /nfs/dbraw/zinc/88/23/16/558882316.db2.gz ZJSFQQHANDRQFO-SFHVURJKSA-N 0 3 420.513 3.199 40 0 HGABHN O=C(c1cc([C@@H]2CCCN(Cc3ccnc4ccccc34)C2)no1)N1CCC(O)CC1 ZINC000019376075 558882362 /nfs/dbraw/zinc/88/23/62/558882362.db2.gz ZJSFQQHANDRQFO-GOSISDBHSA-N 0 3 420.513 3.199 40 0 HGABHN C[C@@H](CCC(=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1)N1CCN(C)CC1 ZINC000019455588 558891923 /nfs/dbraw/zinc/89/19/23/558891923.db2.gz BGEWVEZQVKTWKK-HTAPYJJXSA-N 0 3 400.954 3.357 40 0 HGABHN CC1(NC(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccnc(N3CCCC3)n2)CCC1 ZINC000019461169 558893536 /nfs/dbraw/zinc/89/35/36/558893536.db2.gz KSFKFGLKHSQPAT-SFTDATJTSA-N 0 3 419.573 3.351 40 0 HGABHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCC[C@@H](c2ccnc3ncnn32)C1 ZINC000072334866 558935796 /nfs/dbraw/zinc/93/57/96/558935796.db2.gz LPIVCUXDKPMBIB-HXUWFJFHSA-N 0 3 404.518 3.130 40 0 HGABHN Cc1c([C@@H](O)CN2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc2n1C ZINC000019581794 558937074 /nfs/dbraw/zinc/93/70/74/558937074.db2.gz VIKLMTOUBDCLTD-QHCPKHFHSA-N 0 3 418.541 3.397 40 0 HGABHN COc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2cccc4ncccc24)C3)c(OC)n1 ZINC000019594749 558945565 /nfs/dbraw/zinc/94/55/65/558945565.db2.gz LQEGXAUNZVLOES-QLCVBSLISA-N 0 3 420.513 3.162 40 0 HGABHN Cc1nn(C)cc1CN1CC[C@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352452 558948687 /nfs/dbraw/zinc/94/86/87/558948687.db2.gz OKXKARQQTPGSHX-KRWDZBQOSA-N 0 3 424.570 3.405 40 0 HGABHN COCCOc1ccc(CN2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 ZINC000072395325 558974082 /nfs/dbraw/zinc/97/40/82/558974082.db2.gz VNYLCXRKCRLXON-INIZCTEOSA-N 0 3 417.460 3.467 40 0 HGABHN Cc1sc2ncnc(N3CCC(C(=O)N[C@@H](C)CN4CCCC4)CC3)c2c1C ZINC000019716466 558978258 /nfs/dbraw/zinc/97/82/58/558978258.db2.gz HWYXNELQLNDERI-AWEZNQCLSA-N 0 3 401.580 3.125 40 0 HGABHN Cc1noc(C)c1CN1CCC[C@]2(CCCN2C(=O)CNC(=O)c2ccccc2)CC1 ZINC000585100467 559024004 /nfs/dbraw/zinc/02/40/04/559024004.db2.gz KZGANLZVVDFTFF-DEOSSOPVSA-N 0 3 424.545 3.069 40 0 HGABHN CCCN1CCN(C(=O)C(C)(C)N)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183575 559070388 /nfs/dbraw/zinc/07/03/88/559070388.db2.gz BZDSDJFPSZYUFI-OAQYLSRUSA-N 0 3 407.558 3.330 40 0 HGABHN O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000585183671 559070499 /nfs/dbraw/zinc/07/04/99/559070499.db2.gz ZCSWSOBMHIZHLA-HXUWFJFHSA-N 0 3 409.452 3.395 40 0 HGABHN CN1CCN(C(=O)C[C@@H]2CC3(CCN(Cc4ccncc4)CC3)c3ccccc32)CC1 ZINC000096052945 559092734 /nfs/dbraw/zinc/09/27/34/559092734.db2.gz PPMBBXHBSPQWDT-JOCHJYFZSA-N 0 3 418.585 3.267 40 0 HGABHN Cc1ccc(C(=O)N2CCC3(C[C@H](CC(=O)NCCN(C)C)c4ccccc43)CC2)o1 ZINC000096052901 559092771 /nfs/dbraw/zinc/09/27/71/559092771.db2.gz XAZDCJSDSZCGMP-IBGZPJMESA-N 0 3 423.557 3.317 40 0 HGABHN CC(C)[C@@H](C)NC(=O)c1ncn2c1nccc2C1CCN(Cc2cccnc2)CC1 ZINC000096155703 559099874 /nfs/dbraw/zinc/09/98/74/559099874.db2.gz DXOFTFHGONAYRE-QGZVFWFLSA-N 0 3 406.534 3.278 40 0 HGABHN Cc1ccc(CN2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)cc1 ZINC000096263477 559107063 /nfs/dbraw/zinc/10/70/63/559107063.db2.gz BOZRSKVVXDROKZ-UHFFFAOYSA-N 0 3 400.544 3.290 40 0 HGABHN OC1(CN2CCOC[C@](O)(COc3ccc(F)c(Cl)c3)C2)CCCCCC1 ZINC000585284657 559121252 /nfs/dbraw/zinc/12/12/52/559121252.db2.gz YZUZBVUHRSKNJG-FQEVSTJZSA-N 0 3 401.906 3.007 40 0 HGABHN Cc1cc(C)cc(OC[C@@]2(O)CN(C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CC[C@@H]2O)c1 ZINC000585285132 559121478 /nfs/dbraw/zinc/12/14/78/559121478.db2.gz CPUCJHXXTCCTOI-INWJIATQSA-N 0 3 419.606 3.447 40 0 HGABHN Cc1cnc(Nc2cc([C@@H]3CCCCN3C(=O)/C=C/CN(C)C)nc(C)n2)s1 ZINC000585292513 559125286 /nfs/dbraw/zinc/12/52/86/559125286.db2.gz NUKGLWYIAGPDIM-LKUPDRCFSA-N 0 3 400.552 3.465 40 0 HGABHN COCC(=O)N[C@H]1[C@H](c2cccs2)N(CCCc2ccccc2)CC[C@@]1(C)O ZINC000514289966 560031041 /nfs/dbraw/zinc/03/10/41/560031041.db2.gz RAZSXZRZMIHGRJ-FDFHNCONSA-N 0 3 402.560 3.010 40 0 biogenic,in-vitro HGABHN CC(=O)Nc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1 ZINC000017094152 560868727 /nfs/dbraw/zinc/86/87/27/560868727.db2.gz DJDMICDWJVQSJI-HXUWFJFHSA-N 0 3 424.888 3.244 40 0 HGABHN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNC[C@H](O)c3ccccc3)o2)c1 ZINC000022108606 568475381 /nfs/dbraw/zinc/47/53/81/568475381.db2.gz NZWJRPYBXMSQOQ-FQEVSTJZSA-N 0 3 409.438 3.343 40 0 HGABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(Br)cs1 ZINC000223254029 568542763 /nfs/dbraw/zinc/54/27/63/568542763.db2.gz VCMLZQUYVZIYFS-LSDHHAIUSA-N 0 3 411.394 3.440 40 0 HGABHN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)nc1 ZINC000223257320 568542854 /nfs/dbraw/zinc/54/28/54/568542854.db2.gz VSOVMBPFTUPYMW-LEWJYISDSA-N 0 3 406.559 3.110 40 0 HGABHN Cc1ccc(C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)c(I)c1 ZINC000225028052 568610015 /nfs/dbraw/zinc/61/00/15/568610015.db2.gz KMXVAALSWALYKU-KBPBESRZSA-N 0 3 400.304 3.307 40 0 HGABHN O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000000537753 568710886 /nfs/dbraw/zinc/71/08/86/568710886.db2.gz RIOZXKPJYKSKJV-UHFFFAOYSA-N 0 3 413.468 3.356 40 0 in-man HGABHN COc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@H](N)C(C)C)CC[C@H]3O[C@@H]21 ZINC000257234428 568785903 /nfs/dbraw/zinc/78/59/03/568785903.db2.gz GTMTVRUSDCHBBM-RUXLODGWSA-N 0 3 402.535 3.144 40 0 HGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccco3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306125588 568888351 /nfs/dbraw/zinc/88/83/51/568888351.db2.gz CVBLCHSCFSZWEY-URXFXBBRSA-N 0 3 419.529 3.470 40 0 HGABHN Cc1nn(C)c(C)c1CN1CC[C@@]2(C1)COCc1cnc(NCc3ccccc3)nc12 ZINC000306127125 568890004 /nfs/dbraw/zinc/89/00/04/568890004.db2.gz FOZIKEHBVLRNFK-XMMPIXPASA-N 0 3 418.545 3.113 40 0 HGABHN CN(C)c1cccc(C(=O)N2CCO[C@]3(CCCC[C@@H]3NCc3cccnc3)C2)c1 ZINC000306128748 568891443 /nfs/dbraw/zinc/89/14/43/568891443.db2.gz HJMUWFBUXRTCGW-LADGPHEKSA-N 0 3 408.546 3.091 40 0 HGABHN O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306132053 568894496 /nfs/dbraw/zinc/89/44/96/568894496.db2.gz KWOZQSAPOSINPM-RTBURBONSA-N 0 3 421.932 3.166 40 0 HGABHN Cn1cc(CNC[C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)c4ccccc4CN23)cn1 ZINC000306135230 568897257 /nfs/dbraw/zinc/89/72/57/568897257.db2.gz OLJKWZVTIQXYAM-GOTSBHOMSA-N 0 3 415.541 3.203 40 0 HGABHN Cc1cccc(CN2Cc3c(=O)n(C)[n-]c3C3(CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000306139823 568901628 /nfs/dbraw/zinc/90/16/28/568901628.db2.gz UBOPAYCOJBFWHU-UHFFFAOYSA-N 0 3 417.557 3.379 40 0 HGABHN Cc1ccc(CN2CC[C@@]3(C2)COCc2c(C(=O)NC4CCCC4)[nH]nc23)s1 ZINC000306140070 568901918 /nfs/dbraw/zinc/90/19/18/568901918.db2.gz UISBUSUOWGIENG-OAQYLSRUSA-N 0 3 400.548 3.126 40 0 HGABHN CC(C)n1cnc([C@H]2CN(Cc3ccoc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306141153 568902859 /nfs/dbraw/zinc/90/28/59/568902859.db2.gz VMRUAEYDKAPYQI-QPPBQGQZSA-N 0 3 419.529 3.470 40 0 HGABHN Cc1ccc(CN2CCC3(CC2)CN(C(C)C)[C@@H](C(=O)N(C)C)c2cncn23)cc1C ZINC000306141693 568903323 /nfs/dbraw/zinc/90/33/23/568903323.db2.gz WEDYNSPETDNYLO-HSZRJFAPSA-N 0 3 423.605 3.345 40 0 HGABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@H]1C2 ZINC000306143049 568904637 /nfs/dbraw/zinc/90/46/37/568904637.db2.gz XRTUHKRTKKHDMO-IAGOWNOFSA-N 0 3 407.905 3.488 40 0 HGABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3cccc(Cl)c3)C[C@H]1C2 ZINC000306143051 568904723 /nfs/dbraw/zinc/90/47/23/568904723.db2.gz XRTUHKRTKKHDMO-SJORKVTESA-N 0 3 407.905 3.488 40 0 HGABHN Cc1ccc(Nc2cc(-c3cccnc3)nc(NCCN(C)C)n2)cc1C(F)(F)F ZINC000329010755 568972625 /nfs/dbraw/zinc/97/26/25/568972625.db2.gz MBHPECRNBYWAKM-UHFFFAOYSA-N 0 3 416.451 3.427 40 0 HGABHN CN(C)CCNc1nc(Nc2c(Cl)cccc2Cl)cc(-c2ccccn2)n1 ZINC000329013990 568972632 /nfs/dbraw/zinc/97/26/32/568972632.db2.gz MTFRYFCOVVEMKY-UHFFFAOYSA-N 0 3 403.317 3.406 40 0 HGABHN CN(C)CCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2cccnc2)n1 ZINC000329053430 568974755 /nfs/dbraw/zinc/97/47/55/568974755.db2.gz VGTQLWOOIIJDHP-UHFFFAOYSA-N 0 3 403.317 3.406 40 0 HGABHN Cc1ccc(CC(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@H]2CN(C)C)cc1 ZINC000248111228 569316257 /nfs/dbraw/zinc/31/62/57/569316257.db2.gz KENWIABETVAWCT-BJKOFHAPSA-N 0 3 421.585 3.353 40 0 HGABHN CCOc1ccc(COC)cc1CN1CC[C@@H](c2ncncc2-c2noc(C)n2)C1 ZINC000019693722 569346592 /nfs/dbraw/zinc/34/65/92/569346592.db2.gz RBCMPYQBZXTBLN-QGZVFWFLSA-N 0 3 409.490 3.370 40 0 HGABHN CCc1ncc(CN2[C@H](Cc3ccc(OC)cc3)C[C@@H]3NC(=O)CCCC[C@H]32)cn1 ZINC000019713894 569348472 /nfs/dbraw/zinc/34/84/72/569348472.db2.gz TYSXZXRXCOZMST-BAGYTPMASA-N 0 3 408.546 3.292 40 0 HGABHN C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857108 569352062 /nfs/dbraw/zinc/35/20/62/569352062.db2.gz BXLUAGFQRDOCEO-APWZRJJASA-N 0 3 418.534 3.319 40 0 HGABHN CN(C)CCNc1nc(C2CC2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000329016879 571304503 /nfs/dbraw/zinc/30/45/03/571304503.db2.gz NJRULTUFHZJKDJ-UHFFFAOYSA-N 0 3 421.467 3.789 40 0 HGABHN CC(=O)N1CCCc2cc([C@H](O)CN3CCC(O)(c4ccccc4C)CC3)ccc21 ZINC000012291267 132357979 /nfs/dbraw/zinc/35/79/79/132357979.db2.gz FTTDSNGRVQEZMV-XMMPIXPASA-N 0 3 408.542 3.311 40 0 HGABHN Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc43)CC1)CCCC2=O ZINC000044135896 527183273 /nfs/dbraw/zinc/18/32/73/527183273.db2.gz AUSFXKQDZJPCTA-UHFFFAOYSA-N 0 3 424.476 3.231 40 0 in-vitro HGABHN COc1cccc(C(=O)N2CC[C@@H](C(=O)Nc3ccccc3CN3CCCC3)C2)c1 ZINC000019750451 558270564 /nfs/dbraw/zinc/27/05/64/558270564.db2.gz WRCGGXJATNULFW-HXUWFJFHSA-N 0 3 407.514 3.392 40 0 HGABHN Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(Cc3cccnc3)CC2)n1 ZINC000019759111 558275663 /nfs/dbraw/zinc/27/56/63/558275663.db2.gz BJLIOHJQSWBKNE-UHFFFAOYSA-N 0 3 403.530 3.200 40 0 HGABHN O=C(CC1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000019819461 558289979 /nfs/dbraw/zinc/28/99/79/558289979.db2.gz YICSRVRSQWAXRZ-HXUWFJFHSA-N 0 3 414.469 3.240 40 0 HGABHN C[C@@H]1C[C@@H](C)CN(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182714 558343633 /nfs/dbraw/zinc/34/36/33/558343633.db2.gz XUWNGOZYVZDLIU-VVWQDTPRSA-N 0 3 402.539 3.365 40 0 HGABHN CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000020460734 558372869 /nfs/dbraw/zinc/37/28/69/558372869.db2.gz NDUVQOXDRNPWJT-OAHLLOKOSA-N 0 3 401.960 3.096 40 0 HGABHN CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000020460734 558372872 /nfs/dbraw/zinc/37/28/72/558372872.db2.gz NDUVQOXDRNPWJT-OAHLLOKOSA-N 0 3 401.960 3.096 40 0 HGABHN CCOc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc(OC)cc2O3)cc1 ZINC000012329549 558384320 /nfs/dbraw/zinc/38/43/20/558384320.db2.gz KZNDCZVLIGJBAR-YADHBBJMSA-N 0 3 413.514 3.478 40 0 HGABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1cccc(Cl)c1 ZINC000020637010 558396461 /nfs/dbraw/zinc/39/64/61/558396461.db2.gz XSFXNOYACYLDOM-OALUTQOASA-N 0 3 411.889 3.105 40 0 HGABHN CCOC(=O)C1=C([O-])NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000020637010 558396465 /nfs/dbraw/zinc/39/64/65/558396465.db2.gz XSFXNOYACYLDOM-OALUTQOASA-N 0 3 411.889 3.105 40 0 HGABHN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)CN3CCC[C@@H](C)C3)CC1)N2 ZINC000019128710 558845012 /nfs/dbraw/zinc/84/50/12/558845012.db2.gz SCTCSRYJWGZAEK-FHLIZLRMSA-N 0 3 409.525 3.152 40 0 HGABHN O=c1ccc(-c2cccs2)nn1CC1(O)C[C@H]2CCC[C@@H](C1)N2Cc1cccnc1 ZINC000019338766 558870908 /nfs/dbraw/zinc/87/09/08/558870908.db2.gz FNEZUJADYXQCOS-LIMIJEPZSA-N 0 3 422.554 3.315 40 0 HGABHN O=C(c1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019400041 558882640 /nfs/dbraw/zinc/88/26/40/558882640.db2.gz UQOZCSYKHDNDFO-OAQYLSRUSA-N 0 3 421.545 3.493 40 0 HGABHN O=C(c1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019400041 558882645 /nfs/dbraw/zinc/88/26/45/558882645.db2.gz UQOZCSYKHDNDFO-OAQYLSRUSA-N 0 3 421.545 3.493 40 0 HGABHN O=C(c1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2 ZINC000019400041 558882647 /nfs/dbraw/zinc/88/26/47/558882647.db2.gz UQOZCSYKHDNDFO-OAQYLSRUSA-N 0 3 421.545 3.493 40 0 HGABHN COc1cc2c(cc1CN1CCC(c3cc(=O)[nH]c(-c4ccncc4)n3)CC1)OCO2 ZINC000019550555 558915160 /nfs/dbraw/zinc/91/51/60/558915160.db2.gz UOFIWYIOQXVFRL-UHFFFAOYSA-N 0 3 420.469 3.361 40 0 HGABHN COc1ccc(OC)c(CN2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 ZINC000019551511 558915664 /nfs/dbraw/zinc/91/56/64/558915664.db2.gz UIBLVSZDBWXBJT-RRQGHBQHSA-N 0 3 407.465 3.198 40 0 HGABHN C[NH+]1CCC(c2nc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)cc(=O)[n-]2)CC1 ZINC000019588194 558940076 /nfs/dbraw/zinc/94/00/76/558940076.db2.gz CMMSWGRFAWIFFU-GOSISDBHSA-N 0 3 412.509 3.079 40 0 HGABHN CNc1cc([C@@H]2CCCN(Cc3cccc(C)c3OC)C2)nc(CN(C)C(C)=O)n1 ZINC000072370152 558956355 /nfs/dbraw/zinc/95/63/55/558956355.db2.gz DJFPTVFICHQILE-GOSISDBHSA-N 0 3 411.550 3.193 40 0 HGABHN CNc1cc([C@@H]2CCCN(Cc3ccc(C)cc3OC)C2)nc(CN(C)C(C)=O)n1 ZINC000072370148 558956377 /nfs/dbraw/zinc/95/63/77/558956377.db2.gz OOQPRKRKEVORNU-GOSISDBHSA-N 0 3 411.550 3.193 40 0 HGABHN CN(C)c1ncc(-c2cnn(C)c2)c([C@@H]2CCCN(CCOc3ccc(F)cc3)C2)n1 ZINC000019694867 558963524 /nfs/dbraw/zinc/96/35/24/558963524.db2.gz IRUZCZCJFFDFEU-QGZVFWFLSA-N 0 3 424.524 3.341 40 0 HGABHN Cc1cccc(CC(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@@H]2CN(C)C)c1 ZINC000072394718 558973625 /nfs/dbraw/zinc/97/36/25/558973625.db2.gz IBKPXISGUJYBEX-RPWUZVMVSA-N 0 3 421.585 3.353 40 0 HGABHN COc1ccc(-c2ccnc3c(C(=O)N4CCC[C@@H](N5CCCC5)C4)cnn32)cc1 ZINC000019719043 558982699 /nfs/dbraw/zinc/98/26/99/558982699.db2.gz BZVWREPYKBMHFH-GOSISDBHSA-N 0 3 405.502 3.105 40 0 HGABHN COc1ccc(-c2ccnc3c(C(=O)N4CCC[C@H](N5CCCC5)C4)cnn32)cc1 ZINC000019719044 558982718 /nfs/dbraw/zinc/98/27/18/558982718.db2.gz BZVWREPYKBMHFH-SFHVURJKSA-N 0 3 405.502 3.105 40 0 HGABHN COc1ncc(CN2C[C@@H](C(=O)NCCC(C)(C)C)C3(C2)CCOCC3)cc1C ZINC000585102024 559025252 /nfs/dbraw/zinc/02/52/52/559025252.db2.gz ZJHQRRMWNKYANA-IBGZPJMESA-N 0 3 403.567 3.180 40 0 HGABHN CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccc(C)s1)CC2 ZINC000096037018 559090788 /nfs/dbraw/zinc/09/07/88/559090788.db2.gz KUVILDOUGOWBMR-UHFFFAOYSA-N 0 3 410.591 3.480 40 0 HGABHN O=C(NCCc1ccccc1)c1ccc2ccc(N3CCN(CC4CC4)CC3)n2c1 ZINC000096155922 559100083 /nfs/dbraw/zinc/10/00/83/559100083.db2.gz VLUWSJJTSMICOF-UHFFFAOYSA-N 0 3 402.542 3.444 40 0 HGABHN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)/C=C/CN(C)C)n2)n1 ZINC000585292973 559125447 /nfs/dbraw/zinc/12/54/47/559125447.db2.gz VBGJHRAKXXTUQE-XSFOEPMVSA-N 0 3 409.538 3.107 40 0 HGABHN Cc1ccc(S(=O)(=O)N(C[C@H](O)CN2CCC(C)CC2)c2ccccc2)cc1 ZINC000000787232 559279365 /nfs/dbraw/zinc/27/93/65/559279365.db2.gz FNPYSIAZYBSEDW-OAQYLSRUSA-N 0 3 402.560 3.283 40 0 HGABHN O[C@]1(CN2CCC(F)(F)CC2)CCN(Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000257286416 559285512 /nfs/dbraw/zinc/28/55/12/559285512.db2.gz PLNKAFXSKHBSND-QFIPXVFZSA-N 0 3 417.500 3.329 40 0 HGABHN CN(Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)c3ccc4c(ccn4C)c3)C2)OC1 ZINC000575403000 560546849 /nfs/dbraw/zinc/54/68/49/560546849.db2.gz FLYJQPHVVCYKDK-HXUWFJFHSA-N 0 3 418.541 3.327 40 0 HGABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)c1 ZINC000005023865 568431397 /nfs/dbraw/zinc/43/13/97/568431397.db2.gz BQIMYQISQAQYDN-VSKRKVRLSA-N 0 3 416.433 3.452 40 0 HGABHN COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223259603 568543066 /nfs/dbraw/zinc/54/30/66/568543066.db2.gz OWLCDXYZENVUOK-VXKWHMMOSA-N 0 3 421.570 3.415 40 0 HGABHN CCc1cc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)ccc1OC ZINC000223712016 568557093 /nfs/dbraw/zinc/55/70/93/568557093.db2.gz RHWAVNVHHKWDIG-UHFFFAOYSA-N 0 3 418.559 3.209 40 0 HGABHN C/C=C/c1ccc(OC[C@@H](O)CNC[C@@H](c2ccc(OC)cc2)N(C)C)c(OC)c1 ZINC000096311027 568724735 /nfs/dbraw/zinc/72/47/35/568724735.db2.gz YSQGJSKNXKXPMX-RGVSTGCNSA-N 0 3 414.546 3.369 40 0 HGABHN COc1ccc(CN(C)C[C@@]2(O)CCCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)cc1 ZINC000257273819 568796708 /nfs/dbraw/zinc/79/67/08/568796708.db2.gz NIJANKKIDCLYMT-HSZRJFAPSA-N 0 3 414.550 3.031 40 0 HGABHN CCN(C(=O)c1cn[nH]c1C1CCN(C(=O)CN2CCCCC2)CC1)c1ccccc1 ZINC000257284201 568799834 /nfs/dbraw/zinc/79/98/34/568799834.db2.gz PBSKAAWHYGMNLM-UHFFFAOYSA-N 0 3 423.561 3.268 40 0 HGABHN CCN(CC)S(=O)(=O)N1CCC(c2cc(Nc3ccc(F)cn3)cc(C)n2)CC1 ZINC000257320921 568810722 /nfs/dbraw/zinc/81/07/22/568810722.db2.gz VZHKOBBYEFNQPW-UHFFFAOYSA-N 0 3 421.542 3.434 40 0 HGABHN Cc1cc(C)cc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(CC2CC2)C3=O)c1 ZINC000306127647 568890496 /nfs/dbraw/zinc/89/04/96/568890496.db2.gz GEBFPOKBYIOBEZ-ILBGXUMGSA-N 0 3 405.542 3.305 40 0 HGABHN CC(C)NC(=O)NC[C@H]1N(C(=O)c2cccc(Cl)c2)CCCC12CCN(C)CC2 ZINC000306128259 568891242 /nfs/dbraw/zinc/89/12/42/568891242.db2.gz GVMPQGUMMBJRBK-LJQANCHMSA-N 0 3 420.985 3.364 40 0 HGABHN O=C(c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)F)N1CCN2CCC[C@@H]2C1 ZINC000002776931 568932141 /nfs/dbraw/zinc/93/21/41/568932141.db2.gz RLXRTJOGRSMXIS-OAHLLOKOSA-N 0 3 415.419 3.393 40 0 HGABHN CN(C)CCNc1nc(NCc2ccco2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328966874 568970229 /nfs/dbraw/zinc/97/02/29/568970229.db2.gz CONOBOCLJHKPIS-UHFFFAOYSA-N 0 3 421.423 3.065 40 0 HGABHN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2cccnc2)nc(NCCN(C)C)n1 ZINC000329013112 568972596 /nfs/dbraw/zinc/97/25/96/568972596.db2.gz MOVYDYZJZGYORZ-UHFFFAOYSA-N 0 3 416.451 3.427 40 0 HGABHN Cc1ccc(Nc2cc(-c3ccccn3)nc(NCCN(C)C)n2)cc1C(F)(F)F ZINC000329016816 568972797 /nfs/dbraw/zinc/97/27/97/568972797.db2.gz NHVNGQJQXHPNEI-UHFFFAOYSA-N 0 3 416.451 3.427 40 0 HGABHN Cc1c(Br)cccc1Nc1cc(C(F)(F)F)nc(NCCN(C)C)n1 ZINC000329017985 568972882 /nfs/dbraw/zinc/97/28/82/568972882.db2.gz NOLIOPNYHUIUDG-UHFFFAOYSA-N 0 3 418.261 3.127 40 0 HGABHN CN(C)CCNc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000329030674 568973728 /nfs/dbraw/zinc/97/37/28/568973728.db2.gz QEPFBMAWOUYBFS-UHFFFAOYSA-N 0 3 420.414 3.257 40 0 HGABHN Nc1nc(C2CCN(CC3=CCCOC3)CC2)ccc1C(=O)NCc1ccccc1F ZINC000019765756 569349031 /nfs/dbraw/zinc/34/90/31/569349031.db2.gz IPTVLZFDMCHPQH-UHFFFAOYSA-N 0 3 424.520 3.259 40 0 HGABHN CN(c1ccc(C(=O)NCCN2CCCCCC2)cc1)S(=O)(=O)c1cccs1 ZINC000026114163 569349896 /nfs/dbraw/zinc/34/98/96/569349896.db2.gz HAADIRHESJTWDF-UHFFFAOYSA-N 0 3 421.588 3.179 40 0 HGABHN Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000252516541 569388087 /nfs/dbraw/zinc/38/80/87/569388087.db2.gz TZNSCRNWRYDTDD-XQBPLPMBSA-N 0 3 416.543 3.157 40 0 HGABHN CN1CCN(c2ccc(-c3noc([C@@H]4CCCN4Cc4ccccc4)n3)cn2)CC1 ZINC000049155096 291235726 /nfs/dbraw/zinc/23/57/26/291235726.db2.gz OWFJEECCTFLGSS-FQEVSTJZSA-N 0 3 404.518 3.221 40 0 biogenic,in-vitro HGABHN COc1ccccc1-c1cn2c(n1)CO[C@@H](CNCc1ccc(NC(C)=O)cc1)C2 ZINC000096296299 291241040 /nfs/dbraw/zinc/24/10/40/291241040.db2.gz BWLPBMLEODEEDH-IBGZPJMESA-N 0 3 406.486 3.206 40 0 biogenic,in-vitro HGABHN Cc1cccc(CNC[C@H]2Cn3cc(-c4ccc5c(c4)OCCCO5)nc3CO2)n1 ZINC000096269406 291242139 /nfs/dbraw/zinc/24/21/39/291242139.db2.gz SUDHFWBLLFLBJD-IBGZPJMESA-N 0 3 406.486 3.103 40 0 biogenic,in-vitro HGABHN CCN(CC)[C@@H](CNC(=O)[C@H](C)NC(=O)/C=C/c1ccccc1)c1cccc(OC)c1 ZINC000032753485 520837756 /nfs/dbraw/zinc/83/77/56/520837756.db2.gz JBXPZGMKSLMVHU-FKTWDOJWSA-N 0 3 423.557 3.412 40 0 HGABHN C[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857139 524911239 /nfs/dbraw/zinc/91/12/39/524911239.db2.gz QJTKAZGIMYVMKF-INIZCTEOSA-N 0 3 418.534 3.319 40 0 HGABHN Cc1ccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000040372451 525088914 /nfs/dbraw/zinc/08/89/14/525088914.db2.gz AYXACZFYUCLBKI-FXAWDEMLSA-N 0 3 404.470 3.440 40 0 HGABHN CN(C)c1ccc(C(=O)CCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000001688516 557280828 /nfs/dbraw/zinc/28/08/28/557280828.db2.gz ANJCAQHRFDMAEC-UHFFFAOYSA-N 0 3 420.557 3.144 40 0 HGABHN COc1ccc(-c2ccnc3cc(C(=O)NCC(C)(C)N4CCCCC4)nn32)cc1 ZINC000035316665 557691459 /nfs/dbraw/zinc/69/14/59/557691459.db2.gz MTWIKJYSHMANMU-UHFFFAOYSA-N 0 3 407.518 3.399 40 0 HGABHN Cc1nn(C)cc1CN1CCC(Cc2nn(C)cc2C(=O)Nc2ccc(F)cc2)CC1 ZINC000019756361 558274449 /nfs/dbraw/zinc/27/44/49/558274449.db2.gz OMAGJSMNEOAIIP-UHFFFAOYSA-N 0 3 424.524 3.308 40 0 HGABHN Cc1nc([C@H]2CCCN2C(=O)C2CCN(C)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019765851 558278342 /nfs/dbraw/zinc/27/83/42/558278342.db2.gz XRDQDRSKENOXLH-HXUWFJFHSA-N 0 3 407.518 3.043 40 0 HGABHN Cc1ccc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)s1 ZINC000012186609 558345663 /nfs/dbraw/zinc/34/56/63/558345663.db2.gz OUSCCNHLCSACDG-UHFFFAOYSA-N 0 3 401.557 3.369 40 0 HGABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc4c(c3)CCO4)CC1)C[C@H]2O ZINC000012329302 558384038 /nfs/dbraw/zinc/38/40/38/558384038.db2.gz YUPQQSBWLXTTIU-NHCUHLMSSA-N 0 3 411.498 3.014 40 0 HGABHN Fc1ccc(OCCN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 ZINC000012407927 558398961 /nfs/dbraw/zinc/39/89/61/558398961.db2.gz WWUHBIKGXQOWMU-DLBZAZTESA-N 0 3 413.419 3.496 40 0 HGABHN COCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039741719 558684472 /nfs/dbraw/zinc/68/44/72/558684472.db2.gz WHWUBEQNWYHRFR-UHFFFAOYSA-N 0 3 413.493 3.053 40 0 HGABHN COC(=O)c1cc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc(C(=O)OC)c1 ZINC000039752383 558687123 /nfs/dbraw/zinc/68/71/23/558687123.db2.gz APDWUDWWCMHKRS-UHFFFAOYSA-N 0 3 424.497 3.419 40 0 HGABHN COCCOc1cc(CN2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@H]3C2)ccc1OC ZINC000072389833 558808969 /nfs/dbraw/zinc/80/89/69/558808969.db2.gz DZLJSQKFHYZXBA-SKPFHBQLSA-N 0 3 412.530 3.153 40 0 HGABHN Cc1ccc2c(c1)C(=O)N(CC(=O)N1[C@@H](C)CCC[C@@H]1C)CC1(CCN(C)CC1)O2 ZINC000019218473 558851131 /nfs/dbraw/zinc/85/11/31/558851131.db2.gz SHTBAZSEAGKXML-OALUTQOASA-N 0 3 413.562 3.084 40 0 HGABHN Cn1c2ccc(CN3CCC(O)(c4ccc(C(F)(F)F)cc4)CC3)cc2n(C)c1=O ZINC000019289793 558862327 /nfs/dbraw/zinc/86/23/27/558862327.db2.gz ISTHBZOGLLCQFN-UHFFFAOYSA-N 0 3 419.447 3.379 40 0 HGABHN CNC(=O)[C@@H]1CN(Cc2ccc(C(C)C)cc2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019453310 558890715 /nfs/dbraw/zinc/89/07/15/558890715.db2.gz OWKPEQUVPFILAY-NHCUHLMSSA-N 0 3 407.562 3.162 40 0 HGABHN COc1ccccc1CN1CCC(c2n[nH]cc2C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000019497346 558896486 /nfs/dbraw/zinc/89/64/86/558896486.db2.gz DBYOCWTVEMLRTR-CALCHBBNSA-N 0 3 412.534 3.047 40 0 HGABHN CCCC(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4ccc(CC)cc4)C3)[n-]c(=O)c2C1 ZINC000019501587 558899631 /nfs/dbraw/zinc/89/96/31/558899631.db2.gz IIYNSSCRFDIYBE-FQEVSTJZSA-N 0 3 422.573 3.397 40 0 HGABHN CCCC(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4ccc(CC)cc4)C3)[n-]c(=O)c2C1 ZINC000019501587 558899632 /nfs/dbraw/zinc/89/96/32/558899632.db2.gz IIYNSSCRFDIYBE-FQEVSTJZSA-N 0 3 422.573 3.397 40 0 HGABHN CCc1ccc(C[N@@H+]2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019522874 558904143 /nfs/dbraw/zinc/90/41/43/558904143.db2.gz JOOGOVVGVOVCHQ-HXUWFJFHSA-N 0 3 420.557 3.007 40 0 HGABHN CCc1ccc(C[N@H+]2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019522874 558904146 /nfs/dbraw/zinc/90/41/46/558904146.db2.gz JOOGOVVGVOVCHQ-HXUWFJFHSA-N 0 3 420.557 3.007 40 0 HGABHN COc1ccc(-c2n[nH]cc2CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc1 ZINC000019557861 558919827 /nfs/dbraw/zinc/91/98/27/558919827.db2.gz JFLVYRGXIQRQKJ-KNQAVFIVSA-N 0 3 412.440 3.473 40 0 HGABHN COc1cccc(CN2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)c1OC ZINC000019567786 558926992 /nfs/dbraw/zinc/92/69/92/558926992.db2.gz CKVUKASEEAUBQC-ZDUSSCGKSA-N 0 3 403.433 3.459 40 0 HGABHN CN1CCC(C(=O)N2CCC[C@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)CC1 ZINC000072346256 558943141 /nfs/dbraw/zinc/94/31/41/558943141.db2.gz QGIRHCUPKPDXSA-KRWDZBQOSA-N 0 3 413.953 3.427 40 0 HGABHN CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)C3CCN(C)CC3)C2)c1 ZINC000072359212 558954975 /nfs/dbraw/zinc/95/49/75/558954975.db2.gz FWVRJNWWLNYOLN-FQEVSTJZSA-N 0 3 421.545 3.150 40 0 HGABHN COc1ccccc1CN1CCC(C(=O)Nc2nc(-c3nonc3C)cs2)CC1 ZINC000019717585 558980515 /nfs/dbraw/zinc/98/05/15/558980515.db2.gz KKEQFYBLLSQVMS-UHFFFAOYSA-N 0 3 413.503 3.361 40 0 HGABHN Cc1ccc2ncc(CN3CCC4(CC(NS(=O)(=O)c5ccccc5)C4)CC3)n2c1 ZINC000585103017 559026382 /nfs/dbraw/zinc/02/63/82/559026382.db2.gz KXVIGNJSHAKWIC-UHFFFAOYSA-N 0 3 424.570 3.366 40 0 HGABHN C[C@H](CN1C[C@H]2CN(S(=O)(=O)c3cc(F)cc(F)c3)CC[C@@H]21)c1ccccc1 ZINC000585108036 559029913 /nfs/dbraw/zinc/02/99/13/559029913.db2.gz XKSOIVWCAUSGSI-KUDFPVQQSA-N 0 3 406.498 3.463 40 0 HGABHN CN1CCN(C(=O)C[C@H]2CC3(CCN(Cc4ccco4)CC3)c3ccccc32)CC1 ZINC000096052922 559092729 /nfs/dbraw/zinc/09/27/29/559092729.db2.gz QQYAQVRSHMAXRI-FQEVSTJZSA-N 0 3 407.558 3.465 40 0 HGABHN CN1CCN(C(=O)C[C@H]2CC3(CCN(Cc4ccoc4)CC3)c3ccccc32)CC1 ZINC000096052926 559092798 /nfs/dbraw/zinc/09/27/98/559092798.db2.gz UUIFXWNEIAITLX-NRFANRHFSA-N 0 3 407.558 3.465 40 0 HGABHN CSCC[C@H](N)C(=O)N1CCC(c2nc(C)cc(Nc3ncc(C)s3)n2)CC1 ZINC000585263568 559111965 /nfs/dbraw/zinc/11/19/65/559111965.db2.gz QCJSWBMQUZEOSB-HNNXBMFYSA-N 0 3 420.608 3.080 40 0 HGABHN O[C@@]1(COc2ccccc2)CCCN(Cc2cccc(OCCn3cccn3)c2)C1 ZINC000585271519 559115867 /nfs/dbraw/zinc/11/58/67/559115867.db2.gz AIMJEYQEHINWBN-DEOSSOPVSA-N 0 3 407.514 3.368 40 0 HGABHN CC(=O)N1CCC(N2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000585281706 559119418 /nfs/dbraw/zinc/11/94/18/559119418.db2.gz PPZBFDCVQDUMPS-UHFFFAOYSA-N 0 3 401.334 3.210 40 0 HGABHN CCCCc1ccc(CNC[C@]2(O)CN(C(=O)CCc3ccccc3)CC[C@H]2O)cc1 ZINC000585286760 559122050 /nfs/dbraw/zinc/12/20/50/559122050.db2.gz URQFKURDXOPPQE-RSXGOPAZSA-N 0 3 424.585 3.076 40 0 HGABHN COc1ccc(O)cc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000002526389 560861612 /nfs/dbraw/zinc/86/16/12/560861612.db2.gz PVUVZUBTCLBJMT-QGZVFWFLSA-N 0 3 422.481 3.444 40 0 endogenous,world HGABHN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000022456927 568486374 /nfs/dbraw/zinc/48/63/74/568486374.db2.gz WRMKBSBJQCLVBI-LFBVJSBHSA-N 0 3 424.585 3.089 40 0 HGABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 ZINC000223253966 568542724 /nfs/dbraw/zinc/54/27/24/568542724.db2.gz VCMLZQUYVZIYFS-CABCVRRESA-N 0 3 411.394 3.440 40 0 HGABHN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccnc1 ZINC000223258192 568542898 /nfs/dbraw/zinc/54/28/98/568542898.db2.gz ULYZDXXEGJGLPX-FGZHOGPDSA-N 0 3 420.586 3.418 40 0 HGABHN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccnc1 ZINC000223258349 568542925 /nfs/dbraw/zinc/54/29/25/568542925.db2.gz ULYZDXXEGJGLPX-VXKWHMMOSA-N 0 3 420.586 3.418 40 0 HGABHN CSc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1NC(=O)C(C)C ZINC000224443033 568581436 /nfs/dbraw/zinc/58/14/36/568581436.db2.gz AHSFYQLYVFGJKX-UHFFFAOYSA-N 0 3 413.609 3.157 40 0 HGABHN CN(C)CCOc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)cn1 ZINC000225919541 568685974 /nfs/dbraw/zinc/68/59/74/568685974.db2.gz TXUHJNBKSMLANU-UHFFFAOYSA-N 0 3 419.909 3.366 40 0 HGABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1 ZINC000242495181 568687536 /nfs/dbraw/zinc/68/75/36/568687536.db2.gz FYDSZLRCGNAQST-QWFCFKBJSA-N 0 3 407.919 3.096 40 0 HGABHN CN(C)CCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000257273541 568796627 /nfs/dbraw/zinc/79/66/27/568796627.db2.gz NHBDFCKGXIWMRE-INIZCTEOSA-N 0 3 414.575 3.094 40 0 HGABHN CNC(=O)[C@@]1(c2ccccn2)CCCN(Cc2ccccc2OCc2ccccn2)C1 ZINC000257306414 568806476 /nfs/dbraw/zinc/80/64/76/568806476.db2.gz SUEUSIVAUHZOJG-VWLOTQADSA-N 0 3 416.525 3.335 40 0 HGABHN CCCCc1cc(C(=O)N2CCC[C@](O)(CN(C)Cc3ccc(F)cc3)CC2)[nH]n1 ZINC000257318078 568809805 /nfs/dbraw/zinc/80/98/05/568809805.db2.gz VMKKAWZIZXVJND-HSZRJFAPSA-N 0 3 416.541 3.381 40 0 HGABHN Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)n1 ZINC000257344362 568817401 /nfs/dbraw/zinc/81/74/01/568817401.db2.gz ZWWUKKOSORFXNB-OAHLLOKOSA-N 0 3 415.494 3.184 40 0 HGABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218565403 568881956 /nfs/dbraw/zinc/88/19/56/568881956.db2.gz FCGSADDHOIRCQG-ONTIZHBOSA-N 0 3 401.528 3.005 40 0 HGABHN CC(C)NC(=O)N1C[C@@H]2CC[C@H](CNC(=O)Cc3ccccc3)N2Cc2ccccc21 ZINC000306130027 568892585 /nfs/dbraw/zinc/89/25/85/568892585.db2.gz IUGRHOYVPBIZPZ-YADHBBJMSA-N 0 3 420.557 3.317 40 0 HGABHN Cc1ccc(CNC(=O)[C@H]2CN(C)CC3(CCN(Cc4ccsc4)CC3)O2)cc1 ZINC000306140268 568902009 /nfs/dbraw/zinc/90/20/09/568902009.db2.gz UOOSANJXGHRVCO-OAQYLSRUSA-N 0 3 413.587 3.038 40 0 HGABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218048533 568924814 /nfs/dbraw/zinc/92/48/14/568924814.db2.gz FDKSSCHDQAEKOZ-NNMXDRDESA-N 0 3 416.543 3.157 40 0 HGABHN CCOC[C@@]1(CN)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218121778 568926119 /nfs/dbraw/zinc/92/61/19/568926119.db2.gz ZJNJMNNUEPNQEG-UFYCRDLUSA-N 0 3 409.935 3.270 40 0 HGABHN CCOC[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218121857 568926236 /nfs/dbraw/zinc/92/62/36/568926236.db2.gz ZJNJMNNUEPNQEG-SLFFLAALSA-N 0 3 409.935 3.270 40 0 HGABHN COC[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218228918 568928367 /nfs/dbraw/zinc/92/83/67/568928367.db2.gz FZKUGDLVSLHEID-CEXWTWQISA-N 0 3 424.360 3.289 40 0 HGABHN C[C@@H]1CCCN(c2cc(C(=O)N(C[C@H]3CCCO3)C3CCN(C)CC3)ccn2)C1 ZINC000248100394 569316269 /nfs/dbraw/zinc/31/62/69/569316269.db2.gz DOQWFNZBIGCUGX-WIYYLYMNSA-N 0 3 400.567 3.033 40 0 HGABHN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCCN(Cc3ccncc3C)C1)O2 ZINC000012135351 569344673 /nfs/dbraw/zinc/34/46/73/569344673.db2.gz NWGAKYWNWYAROQ-GBXCKJPGSA-N 0 3 409.530 3.420 40 0 HGABHN COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCN(Cc3cnn(C)c3C)C2)c1 ZINC000019694807 569346686 /nfs/dbraw/zinc/34/66/86/569346686.db2.gz XLIOXHQELHQURR-SFHVURJKSA-N 0 3 406.534 3.250 40 0 HGABHN COc1ccc(-c2nc(C3CCN(C)CC3)[nH]c2C(=O)NCCOC(C)C)cc1 ZINC000019698725 569346903 /nfs/dbraw/zinc/34/69/03/569346903.db2.gz QBVXWQOHZCUCNG-UHFFFAOYSA-N 0 3 400.523 3.049 40 0 HGABHN CNc1nc([C@@H]2CCCN2)nc2c1CN(C(=O)CCc1nc3ccccc3s1)CC2 ZINC000019710814 569428931 /nfs/dbraw/zinc/42/89/31/569428931.db2.gz VUUPYZBTVPWHHV-KRWDZBQOSA-N 0 3 422.558 3.070 40 0 HGABHN CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCc3ccccc32)cc1 ZINC000008622877 571096794 /nfs/dbraw/zinc/09/67/94/571096794.db2.gz OEENUJLMSOLJQE-WMTXJRDZSA-N 0 3 418.585 3.256 40 0 biogenic,in-vitro HGABHN COc1ccc(CNC[C@H]2Cn3cc(-c4ccc5c(c4)OCCCO5)nc3CO2)cc1 ZINC000096269415 291240411 /nfs/dbraw/zinc/24/04/11/291240411.db2.gz BNYOTJBDCZTIAV-FQEVSTJZSA-N 0 3 421.497 3.409 40 0 biogenic,in-vitro HGABHN COc1ccc(-c2noc([C@@H]3C[C@H](NCc4ccc(NC(C)=O)cc4)CN3C)n2)cc1 ZINC000030879589 291239759 /nfs/dbraw/zinc/23/97/59/291239759.db2.gz FWHALCFVPBJLRZ-FPOVZHCZSA-N 0 3 421.501 3.239 40 0 biogenic,in-vitro HGABHN COC(=O)C(CC(=O)Nc1ccc(C)cc1)C(=O)C(=O)Nc1ccccc1C(C)C ZINC000006487203 557704891 /nfs/dbraw/zinc/70/48/91/557704891.db2.gz LIWDZMHYWVWDLL-GOSISDBHSA-N 0 3 410.470 3.444 40 0 HGABHN Cc1nc([C@H]2CCCN(C3CCOCC3)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 ZINC000019743900 558264542 /nfs/dbraw/zinc/26/45/42/558264542.db2.gz JNOAGOXEXPKRTP-SFHVURJKSA-N 0 3 424.520 3.372 40 0 HGABHN COCCN1CCCC[C@H](C2CCN(Cc3ccc(-n4cccn4)cc3)CC2)C1=O ZINC000019744138 558264683 /nfs/dbraw/zinc/26/46/83/558264683.db2.gz OBTRAXGHBBUBLL-HSZRJFAPSA-N 0 3 410.562 3.359 40 0 HGABHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccccc1OC ZINC000019819160 558289255 /nfs/dbraw/zinc/28/92/55/558289255.db2.gz SWSZYGVCDIFTHE-MRXNPFEDSA-N 0 3 412.417 3.273 40 0 HGABHN O=C(CC1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000019819463 558289933 /nfs/dbraw/zinc/28/99/33/558289933.db2.gz YICSRVRSQWAXRZ-FQEVSTJZSA-N 0 3 414.469 3.240 40 0 HGABHN CCOc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCC(=O)NC(C)(C)C ZINC000022075872 558462799 /nfs/dbraw/zinc/46/27/99/558462799.db2.gz YRCQFIOBBCHSLW-LJQANCHMSA-N 0 3 400.519 3.202 40 0 HGABHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000013670841 558562126 /nfs/dbraw/zinc/56/21/26/558562126.db2.gz NXAMPIZTOZBHMO-GJZGRUSLSA-N 0 3 403.386 3.237 40 0 HGABHN Cc1cccc(CN2CCC(C(=O)NCc3cccc(CN4CCOCC4)c3)CC2)c1 ZINC000038831229 558816754 /nfs/dbraw/zinc/81/67/54/558816754.db2.gz MODCVDBRVRAVHM-UHFFFAOYSA-N 0 3 421.585 3.356 40 0 HGABHN COc1ccc2c(c1)C=C(CN1CCC([C@@H](NC(C)=O)c3ccccn3)CC1)CO2 ZINC000019020426 558837812 /nfs/dbraw/zinc/83/78/12/558837812.db2.gz UQQOHTYDBSXXGO-XMMPIXPASA-N 0 3 407.514 3.455 40 0 HGABHN Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCCN(Cc3cn(C)nc3C)C2)on1 ZINC000019122252 558843770 /nfs/dbraw/zinc/84/37/70/558843770.db2.gz HOPWLTUAXMUYAA-GOSISDBHSA-N 0 3 421.549 3.462 40 0 HGABHN COc1ccc(CN2CCC(O)(c3ccc(C)cc3)CC2)cc1CN1CCOCC1 ZINC000019208592 558847570 /nfs/dbraw/zinc/84/75/70/558847570.db2.gz AXMOSZUYIQMQJA-UHFFFAOYSA-N 0 3 410.558 3.319 40 0 HGABHN Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1CN(Cc1cccc(Oc3ncccn3)c1)C2 ZINC000019291402 558863869 /nfs/dbraw/zinc/86/38/69/558863869.db2.gz PATIITISNHWANJ-LIMIJEPZSA-N 0 3 405.502 3.122 40 0 HGABHN O=C(c1cccnc1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019337520 558870351 /nfs/dbraw/zinc/87/03/51/558870351.db2.gz KNSJETDJLREJPW-NRFANRHFSA-N 0 3 421.545 3.493 40 0 HGABHN O=C(c1cccnc1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019337520 558870353 /nfs/dbraw/zinc/87/03/53/558870353.db2.gz KNSJETDJLREJPW-NRFANRHFSA-N 0 3 421.545 3.493 40 0 HGABHN O=C(c1cccnc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2 ZINC000019337520 558870356 /nfs/dbraw/zinc/87/03/56/558870356.db2.gz KNSJETDJLREJPW-NRFANRHFSA-N 0 3 421.545 3.493 40 0 HGABHN O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@@H+](C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019342752 558872173 /nfs/dbraw/zinc/87/21/73/558872173.db2.gz IOXNYFAVOAODFD-OAHLLOKOSA-N 0 3 412.559 3.152 40 0 HGABHN O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@H+](C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019342752 558872175 /nfs/dbraw/zinc/87/21/75/558872175.db2.gz IOXNYFAVOAODFD-OAHLLOKOSA-N 0 3 412.559 3.152 40 0 HGABHN O=C(NCc1cccnc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372581 558879780 /nfs/dbraw/zinc/87/97/80/558879780.db2.gz UFSGFKZEJQWCPT-DHIUTWEWSA-N 0 3 417.484 3.468 40 0 HGABHN O=C(NCc1ccncc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372584 558879866 /nfs/dbraw/zinc/87/98/66/558879866.db2.gz GBHQMGOSHAUMHN-DHIUTWEWSA-N 0 3 417.484 3.468 40 0 HGABHN O=C(NC[C@H]1CCCO1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372545 558879927 /nfs/dbraw/zinc/87/99/27/558879927.db2.gz PLUMZEBNFWECHX-YPAWHYETSA-N 0 3 410.489 3.052 40 0 HGABHN COc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cc1OC(C)C ZINC000019450505 558888861 /nfs/dbraw/zinc/88/88/61/558888861.db2.gz OEGHEXDDQQJRLT-XPWALMASSA-N 0 3 410.558 3.345 40 0 HGABHN C[C@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCC2)CC3)C1)c1ccccc1 ZINC000019459045 558892864 /nfs/dbraw/zinc/89/28/64/558892864.db2.gz YYJCLXCWYJGYRM-PKOBYXMFSA-N 0 3 420.557 3.190 40 0 HGABHN C[C@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCC2)CC3)C1)c1ccccc1 ZINC000019459045 558892867 /nfs/dbraw/zinc/89/28/67/558892867.db2.gz YYJCLXCWYJGYRM-PKOBYXMFSA-N 0 3 420.557 3.190 40 0 HGABHN C[C@@H]1CCCN(c2cc(C(=O)N(C[C@@H]3CCCO3)C3CCN(C)CC3)ccn2)C1 ZINC000019496615 558895525 /nfs/dbraw/zinc/89/55/25/558895525.db2.gz DOQWFNZBIGCUGX-NQIIRXRSSA-N 0 3 400.567 3.033 40 0 HGABHN CCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000019499335 558897597 /nfs/dbraw/zinc/89/75/97/558897597.db2.gz JXOWJKPNXFLDAC-RTWAWAEBSA-N 0 3 410.514 3.419 40 0 HGABHN CCOc1cc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)ccc1OCC(N)=O ZINC000019532207 558912395 /nfs/dbraw/zinc/91/23/95/558912395.db2.gz FPAXNDWDPRRYCZ-SFHVURJKSA-N 0 3 408.502 3.205 40 0 HGABHN Cc1c2ccccc2oc1C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)C1 ZINC000019566124 558925888 /nfs/dbraw/zinc/92/58/88/558925888.db2.gz WCSXLYQSEGSFDW-HNNXBMFYSA-N 0 3 406.486 3.245 40 0 HGABHN Cc1c2ccccc2oc1C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)C1 ZINC000019566124 558925891 /nfs/dbraw/zinc/92/58/91/558925891.db2.gz WCSXLYQSEGSFDW-HNNXBMFYSA-N 0 3 406.486 3.245 40 0 HGABHN Cc1n[nH]c(C)c1CCc1cc(=O)[n-]c(NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019579002 558934696 /nfs/dbraw/zinc/93/46/96/558934696.db2.gz BKHDJELFSCUCQI-UHFFFAOYSA-N 0 3 406.534 3.384 40 0 HGABHN COc1ccc(CN2CCC(CNC(=O)[C@H](C)n3nc4ccccc4n3)CC2)cc1 ZINC000072347501 558944551 /nfs/dbraw/zinc/94/45/51/558944551.db2.gz VFGWNKGVGHRDNC-KRWDZBQOSA-N 0 3 407.518 3.029 40 0 HGABHN C[C@@H]1CCCCN1CC(=O)N1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1 ZINC000019689026 558958592 /nfs/dbraw/zinc/95/85/92/558958592.db2.gz FVAIBMIJUBDRHZ-GOSISDBHSA-N 0 3 420.557 3.428 40 0 HGABHN Cc1cccn2c(=O)c(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)cnc12 ZINC000019714661 558974806 /nfs/dbraw/zinc/97/48/06/558974806.db2.gz MHOOSGSMMKBOAG-UHFFFAOYSA-N 0 3 406.486 3.120 40 0 HGABHN C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[nH]c(N3CCC[C@H](C)C3)nc2C1 ZINC000257309208 559011520 /nfs/dbraw/zinc/01/15/20/559011520.db2.gz TZYYXZFSOYCCLX-DLBZAZTESA-N 0 3 424.545 3.384 40 0 HGABHN COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CN3C[C@@H](C)c3ccccc3)C2)c1 ZINC000585107935 559029775 /nfs/dbraw/zinc/02/97/75/559029775.db2.gz GQDSFXBAETZEBS-ZWCUEREDSA-N 0 3 400.544 3.194 40 0 HGABHN CN1CCN(C(=O)C[C@@H]2CC3(CCN(Cc4ccco4)CC3)c3ccccc32)CC1 ZINC000096052921 559092689 /nfs/dbraw/zinc/09/26/89/559092689.db2.gz QQYAQVRSHMAXRI-HXUWFJFHSA-N 0 3 407.558 3.465 40 0 HGABHN COc1ccc(CN(C)c2ccc3ccc(C(=O)N4CC[C@H](N(C)C)C4)cn32)cc1 ZINC000096146171 559097779 /nfs/dbraw/zinc/09/77/79/559097779.db2.gz PCTPUQRVULCSEL-NRFANRHFSA-N 0 3 406.530 3.360 40 0 HGABHN Cc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)N2CCCC2)Cn2ccnc23)cc1C ZINC000096243697 559104775 /nfs/dbraw/zinc/10/47/75/559104775.db2.gz SHGDJBWWWZPDFK-OAQYLSRUSA-N 0 3 408.546 3.012 40 0 HGABHN O[C@]1(COc2ccccc2)CCCN(Cc2cccc(OCCn3ccnc3)c2)C1 ZINC000257328652 559283214 /nfs/dbraw/zinc/28/32/14/559283214.db2.gz XGOPGAGAHXOODP-XMMPIXPASA-N 0 3 407.514 3.368 40 0 HGABHN CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@H](O)COC1CCCCC1 ZINC000257244359 559284183 /nfs/dbraw/zinc/28/41/83/559284183.db2.gz IKYWNUVXKMUZPM-NRFANRHFSA-N 0 3 418.578 3.220 40 0 HGABHN COc1ccc(NC(=O)N(CCN(C)C)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000004231281 560603069 /nfs/dbraw/zinc/60/30/69/560603069.db2.gz HFKZHPBMIQIRLH-UHFFFAOYSA-N 0 3 424.501 3.141 40 0 HGABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000010544214 560770412 /nfs/dbraw/zinc/77/04/12/560770412.db2.gz VVYDIVOSYNQNDI-CQSZACIVSA-N 0 3 419.385 3.391 40 0 HGABHN Cc1ccc([C@H](CNC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)N(C)C)cc1 ZINC000019136427 560871963 /nfs/dbraw/zinc/87/19/63/560871963.db2.gz WWSHJNGYLJNVMF-QXPPZTQFSA-N 0 3 407.562 3.301 40 0 HGABHN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C5CCCCC5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020411338 560883781 /nfs/dbraw/zinc/88/37/81/560883781.db2.gz FXYPTAKKGKQTFF-DBPOXSKKSA-N 0 3 416.606 3.222 40 0 HGABHN COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223259494 568542974 /nfs/dbraw/zinc/54/29/74/568542974.db2.gz OWLCDXYZENVUOK-YADHBBJMSA-N 0 3 421.570 3.415 40 0 HGABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 ZINC000223279829 568543974 /nfs/dbraw/zinc/54/39/74/568543974.db2.gz WEAFRXZXXLMPLT-LEWJYISDSA-N 0 3 407.543 3.112 40 0 HGABHN COC(=O)CSc1nnc(NC(=O)c2ccc(CN3CCCCC3)cc2)s1 ZINC000224754024 568595382 /nfs/dbraw/zinc/59/53/82/568595382.db2.gz FQFPXAYEOFFJML-UHFFFAOYSA-N 0 3 406.533 3.041 40 0 HGABHN COC[C@H](C)NC(=O)CN1CCC(c2cc(Nc3cccc(C)n3)cc(C)n2)CC1 ZINC000257259798 568792833 /nfs/dbraw/zinc/79/28/33/568792833.db2.gz LABLMRIPAUYSOJ-SFHVURJKSA-N 0 3 411.550 3.168 40 0 HGABHN COc1cccc(Cc2cnc([C@]3(C)CCCN(C(=O)C4CCN(C)CC4)C3)o2)c1 ZINC000257296870 568803594 /nfs/dbraw/zinc/80/35/94/568803594.db2.gz RESDSWHVHCZSOD-XMMPIXPASA-N 0 3 411.546 3.496 40 0 HGABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCCN(CC(=O)N4CCCC4=O)C3)c2)c1 ZINC000257305682 568806096 /nfs/dbraw/zinc/80/60/96/568806096.db2.gz SRAKYJMOUAZRQF-GOSISDBHSA-N 0 3 422.529 3.471 40 0 HGABHN CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(Nc3ccc(F)cn3)cc(C)n2)C1 ZINC000257311562 568807755 /nfs/dbraw/zinc/80/77/55/568807755.db2.gz UKAUPGJYALTPJL-OAHLLOKOSA-N 0 3 407.515 3.044 40 0 HGABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)CN4CCOCC4)C3)c2)cc1 ZINC000257342719 568816871 /nfs/dbraw/zinc/81/68/71/568816871.db2.gz ZPWAHEUTFKQUJT-LJQANCHMSA-N 0 3 424.545 3.180 40 0 HGABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218565487 568881994 /nfs/dbraw/zinc/88/19/94/568881994.db2.gz FCGSADDHOIRCQG-JAXLGGSGSA-N 0 3 401.528 3.005 40 0 HGABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218587561 568882640 /nfs/dbraw/zinc/88/26/40/568882640.db2.gz OMBKGVQRHQKMII-WSTZPKSXSA-N 0 3 407.919 3.096 40 0 HGABHN COCCN1CC[C@@]2(CN(Cc3ccccc3F)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306125427 568888091 /nfs/dbraw/zinc/88/80/91/568888091.db2.gz CQOCNVNBAKUORS-XXBNENTESA-N 0 3 414.525 3.068 40 0 HGABHN CC(C)n1cnc([C@H]2CN(Cc3cnn(C(C)C)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306136923 568898669 /nfs/dbraw/zinc/89/86/69/568898669.db2.gz QGVMCKNBZDVLLY-QPPBQGQZSA-N 0 3 424.593 3.470 40 0 HGABHN CC(C)n1cnc([C@H]2CN(Cc3cnn(C(C)C)c3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306136926 568898769 /nfs/dbraw/zinc/89/87/69/568898769.db2.gz QGVMCKNBZDVLLY-ZJSXRUAMSA-N 0 3 424.593 3.470 40 0 HGABHN Cc1ccc(CN2CCC3(CC2)COCc2nnc(C(=O)N4CCCC[C@@H]4C)n23)cc1 ZINC000306137606 568899625 /nfs/dbraw/zinc/89/96/25/568899625.db2.gz RBEVKVLHWIDONW-IBGZPJMESA-N 0 3 423.561 3.123 40 0 HGABHN O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3Cl)C[C@@H]1C2 ZINC000306143185 568904653 /nfs/dbraw/zinc/90/46/53/568904653.db2.gz XVHSNHPSXLPTOW-OALUTQOASA-N 0 3 421.932 3.166 40 0 HGABHN COc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)cc1 ZINC000306144280 568905666 /nfs/dbraw/zinc/90/56/66/568905666.db2.gz ZBBMJHOKKDIWCX-DEOSSOPVSA-N 0 3 419.481 3.462 40 0 HGABHN CN(C)CCNc1nc(Nc2ccccc2C(F)(F)F)cc(-c2cccnc2)n1 ZINC000329021303 568973098 /nfs/dbraw/zinc/97/30/98/568973098.db2.gz OFSJUJDWFOCTTA-UHFFFAOYSA-N 0 3 402.424 3.118 40 0 HGABHN CN(C)CCNc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2cccnc2)n1 ZINC000329070028 568975642 /nfs/dbraw/zinc/97/56/42/568975642.db2.gz ZDBZUWYUEIZSFV-UHFFFAOYSA-N 0 3 403.317 3.406 40 0 HGABHN C[C@]1(N(CCNCc2cccc(F)c2)Cc2cccc(F)c2)CCS(=O)(=O)C1 ZINC000575421164 569025796 /nfs/dbraw/zinc/02/57/96/569025796.db2.gz NGUKZTMSSZSAEJ-NRFANRHFSA-N 0 3 408.514 3.134 40 0 HGABHN COc1cc2cc(CN(CCN(C)C)C(=O)Nc3ccccc3)c(=O)[nH]c2cc1OC ZINC000004231298 569051781 /nfs/dbraw/zinc/05/17/81/569051781.db2.gz LYEOGGBOIRJCEW-UHFFFAOYSA-N 0 3 424.501 3.141 40 0 HGABHN Cc1ccc(CC(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@H]2CN(C)C)cc1 ZINC000248111233 569316192 /nfs/dbraw/zinc/31/61/92/569316192.db2.gz KENWIABETVAWCT-DNQXCXABSA-N 0 3 421.585 3.353 40 0 HGABHN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCCN(Cc3ncccc3C)C1)O2 ZINC000012135356 569344609 /nfs/dbraw/zinc/34/46/09/569344609.db2.gz MPNYCVGVKOFFCV-NTKDMRAZSA-N 0 3 409.530 3.420 40 0 HGABHN CN(C)c1ncc(CN2CC[C@H](c3cc(COc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000019704614 569347608 /nfs/dbraw/zinc/34/76/08/569347608.db2.gz NOJWIJSYUAWGSY-INIZCTEOSA-N 0 3 412.925 3.488 40 0 HGABHN