smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3cccc(O)c3)CC2)CC1 ZINC000004676915 132282319 /nfs/dbraw/zinc/28/23/19/132282319.db2.gz PDPSLVDCNUZYFL-UHFFFAOYSA-N 0 3 423.557 3.352 50 0 HGAAHN O[C@@H]1CN(Cc2ccnc3ccccc23)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000011821483 132351113 /nfs/dbraw/zinc/35/11/13/132351113.db2.gz YTAFHWNYZIAPCP-JWQCQUIFSA-N 0 3 420.532 3.131 50 0 HGAAHN CCN(CC)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccsc1 ZINC000031984576 520838104 /nfs/dbraw/zinc/83/81/04/520838104.db2.gz VBHHOOQOVGGJLV-WMZOPIPTSA-N 0 3 403.548 3.393 50 0 HGAAHN CCN1CCN(Cc2ccc(CNC(=O)Cc3c(F)cccc3Cl)cc2)CC1 ZINC000032933061 521687949 /nfs/dbraw/zinc/68/79/49/521687949.db2.gz DTXSDARKRUCSOV-UHFFFAOYSA-N 0 3 403.929 3.476 50 0 HGAAHN CCN1CCN(Cc2ccccc2CNC(=O)/C=C/c2cc(OC)ccc2OC)CC1 ZINC000032915638 521688554 /nfs/dbraw/zinc/68/85/54/521688554.db2.gz OCTSQGOPUDESMO-FMIVXFBMSA-N 0 3 423.557 3.171 50 0 HGAAHN CC[C@H](CNC(=O)COc1ccc(C(C)=O)cc1OC)N1CCc2ccccc2C1 ZINC000032446210 522174022 /nfs/dbraw/zinc/17/40/22/522174022.db2.gz KOYDGEPONYNAKK-OAQYLSRUSA-N 0 3 410.514 3.230 50 0 HGAAHN CSc1ccccc1NC(=O)C(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC000043941003 526165534 /nfs/dbraw/zinc/16/55/34/526165534.db2.gz SRROGIWZFOFPCK-UHFFFAOYSA-N 0 3 403.573 3.437 50 0 HGAAHN COc1cc(C(=O)N2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc(OC)c1OC ZINC000000652166 557038974 /nfs/dbraw/zinc/03/89/74/557038974.db2.gz ZQEYRVRDNCHNJP-UHFFFAOYSA-N 0 3 414.546 3.295 50 0 HGAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000004507092 557561415 /nfs/dbraw/zinc/56/14/15/557561415.db2.gz TTZOAJROFJJRLX-UHFFFAOYSA-N 0 3 400.475 3.455 50 0 HGAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000007843080 557764787 /nfs/dbraw/zinc/76/47/87/557764787.db2.gz RYXGEWCSUKTRON-UHFFFAOYSA-N 0 3 400.475 3.455 50 0 HGAAHN O=C(c1cccc(OC2CCN(CCc3ccccc3)CC2)c1)N1CCC[C@H]1CO ZINC000011815126 558278952 /nfs/dbraw/zinc/27/89/52/558278952.db2.gz IHVQSDZLKWRIJD-QFIPXVFZSA-N 0 3 408.542 3.369 50 0 HGAAHN COc1ccc(CNCc2cc(F)ccc2F)cc1OC[C@H](O)CN1CCCCC1 ZINC000011878631 558293064 /nfs/dbraw/zinc/29/30/64/558293064.db2.gz BMMGKIZZNQCDGA-HXUWFJFHSA-N 0 3 420.500 3.489 50 0 HGAAHN Cc1cccc(C(=O)N(CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)n1 ZINC000012024667 558309946 /nfs/dbraw/zinc/30/99/46/558309946.db2.gz ZRBUJLNHOOMJKX-FQEVSTJZSA-N 0 3 412.553 3.445 50 0 HGAAHN O=C(CCC1CCN(Cc2cccn2-c2nccs2)CC1)NC[C@H]1CCCO1 ZINC000012072315 558317505 /nfs/dbraw/zinc/31/75/05/558317505.db2.gz VLTXCCAFSUTDEI-LJQANCHMSA-N 0 3 402.564 3.221 50 0 HGAAHN Cc1c2ccccc2[nH]c1CN1CCC(n2nccc2NC(=O)[C@@H]2CCOC2)CC1 ZINC000012072383 558317835 /nfs/dbraw/zinc/31/78/35/558317835.db2.gz HWIIMKYATPZISH-QGZVFWFLSA-N 0 3 407.518 3.485 50 0 HGAAHN COc1cc(CNCc2ccccc2C)ccc1OC[C@H](O)CN1CCSCC1 ZINC000012076218 558319865 /nfs/dbraw/zinc/31/98/65/558319865.db2.gz NVSDCLGIZUGBBW-OAQYLSRUSA-N 0 3 416.587 3.082 50 0 HGAAHN O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1cn(Cc2ccccc2F)nn1 ZINC000012090476 558323960 /nfs/dbraw/zinc/32/39/60/558323960.db2.gz NITYBTUYBMICJN-LJQANCHMSA-N 0 3 407.493 3.108 50 0 HGAAHN Cc1cc(C)n(CCNCc2cc3ccc(F)cc3n(Cc3cccnc3)c2=O)n1 ZINC000012152883 558339650 /nfs/dbraw/zinc/33/96/50/558339650.db2.gz FFLGDACDNNJIFR-UHFFFAOYSA-N 0 3 405.477 3.187 50 0 HGAAHN COc1ccccc1N1CCN([C@H]2CCCN(Cc3ccc(NC(C)=O)cc3)C2)CC1 ZINC000020449828 558364819 /nfs/dbraw/zinc/36/48/19/558364819.db2.gz UOSHCDHVTQJRLY-QHCPKHFHSA-N 0 3 422.573 3.440 50 0 HGAAHN CSc1cccc(CN2CCC(C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c1 ZINC000020638167 558396665 /nfs/dbraw/zinc/39/66/65/558396665.db2.gz ALZVELSXXZIEBD-UHFFFAOYSA-N 0 3 408.531 3.235 50 0 HGAAHN CN(C(=O)COc1ncnc2ccccc21)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012443152 558412997 /nfs/dbraw/zinc/41/29/97/558412997.db2.gz UQFDMQPYMVCOEN-FQEVSTJZSA-N 0 3 416.525 3.099 50 0 HGAAHN Cc1cccn2c(CNCCc3ccc(Cl)cc3)c(C(=O)N3CCOCC3)nc12 ZINC000020913036 558422343 /nfs/dbraw/zinc/42/23/43/558422343.db2.gz LTTKKPNLZUYVRO-UHFFFAOYSA-N 0 3 412.921 3.101 50 0 HGAAHN CN(C(=O)CCc1ccc2c(c1)OCO2)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012479267 558423137 /nfs/dbraw/zinc/42/31/37/558423137.db2.gz JUBFOHGVYKUDPH-NRFANRHFSA-N 0 3 406.526 3.438 50 0 HGAAHN Fc1ccccc1N1CCN([C@H]2CCCN(Cc3cccn3-c3ncccn3)C2)CC1 ZINC000020998429 558427487 /nfs/dbraw/zinc/42/74/87/558427487.db2.gz MKCXSDICNCIYER-FQEVSTJZSA-N 0 3 420.536 3.193 50 0 HGAAHN CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2cn(C)c3ccccc3c2=O)C1 ZINC000012574186 558430388 /nfs/dbraw/zinc/43/03/88/558430388.db2.gz UMMQVTFIOPLQTA-HXUWFJFHSA-N 0 3 403.526 3.318 50 0 HGAAHN O=C(CCc1nc(-c2ccccc2)no1)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012582900 558433114 /nfs/dbraw/zinc/43/31/14/558433114.db2.gz COWIOGCWOGYWEJ-NRFANRHFSA-N 0 3 404.514 3.493 50 0 HGAAHN Cn1cc(CNCCN2CCC(O)CC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000022918593 558522131 /nfs/dbraw/zinc/52/21/31/558522131.db2.gz JUWGSBHROXWVOF-UHFFFAOYSA-N 0 3 406.530 3.426 50 0 HGAAHN CN1CCC(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000023242119 558545390 /nfs/dbraw/zinc/54/53/90/558545390.db2.gz RUNFVQOJEGSUQD-UHFFFAOYSA-N 0 3 404.864 3.181 50 0 HGAAHN CCc1nc(-c2ccc(C)c(S(=O)(=O)NCCCN3CCCCCC3)c2)no1 ZINC000064980349 558547858 /nfs/dbraw/zinc/54/78/58/558547858.db2.gz AFTZCRYFVUCNMS-UHFFFAOYSA-N 0 3 406.552 3.152 50 0 HGAAHN O=C(c1nc2sccn2c1CNCC1(c2ccccc2)CCOCC1)N1CCCC1 ZINC000023339056 558550233 /nfs/dbraw/zinc/55/02/33/558550233.db2.gz GMWXMTYGFKRXIS-UHFFFAOYSA-N 0 3 424.570 3.470 50 0 HGAAHN OCC[C@@H]1CN(Cc2cccn2-c2nccs2)CCN1CCCc1ccccc1 ZINC000023373643 558553684 /nfs/dbraw/zinc/55/36/84/558553684.db2.gz RIOYQIWRUOWAMW-OAQYLSRUSA-N 0 3 410.587 3.435 50 0 HGAAHN OCC[C@H]1CN(Cc2cccn2-c2nccs2)CCN1CCCc1ccccc1 ZINC000023373645 558553768 /nfs/dbraw/zinc/55/37/68/558553768.db2.gz RIOYQIWRUOWAMW-NRFANRHFSA-N 0 3 410.587 3.435 50 0 HGAAHN CCN(CC)Cc1cccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 ZINC000024926292 558620839 /nfs/dbraw/zinc/62/08/39/558620839.db2.gz CPIAYSMRANNXBJ-UHFFFAOYSA-N 0 3 401.532 3.103 50 0 HGAAHN Cc1nn(C)c2nc(C)c(CCC(=O)N[C@H]3CCN(Cc4ccccc4)C3)c(C)c12 ZINC000024969889 558623022 /nfs/dbraw/zinc/62/30/22/558623022.db2.gz ZICDVDAHKNXIOS-FQEVSTJZSA-N 0 3 405.546 3.217 50 0 HGAAHN CC1CCN(S(=O)(=O)c2ccc(C(=O)NCC(C)(C)N3CCCCC3)cc2)CC1 ZINC000014182839 558628996 /nfs/dbraw/zinc/62/89/96/558628996.db2.gz UGAXORZPJASFJJ-UHFFFAOYSA-N 0 3 421.607 3.102 50 0 HGAAHN CC(C)C[C@H]1NC(=O)[C@@H]2C[C@H](NCc3sc4ccccc4c3Cl)CN2C1=O ZINC000014733753 558666368 /nfs/dbraw/zinc/66/63/68/558666368.db2.gz KOGFXAVEQMWKPP-CFVMTHIKSA-N 0 3 405.951 3.158 50 0 HGAAHN COCCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccccc2)C1 ZINC000014743083 558667882 /nfs/dbraw/zinc/66/78/82/558667882.db2.gz LDPGIFLFMMMIQY-LEWJYISDSA-N 0 3 414.521 3.496 50 0 HGAAHN CC(C)c1c(C(=O)N2CC[C@H](N(C)C)C2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000014959844 558683657 /nfs/dbraw/zinc/68/36/57/558683657.db2.gz GXNWQVVOACIULY-INIZCTEOSA-N 0 3 422.508 3.368 50 0 HGAAHN O=C1CCCCN1CCNCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000014981012 558691401 /nfs/dbraw/zinc/69/14/01/558691401.db2.gz WLJNAGWEDANFCU-UHFFFAOYSA-N 0 3 418.497 3.370 50 0 HGAAHN COc1ccc(CN2C[C@@H]3C[C@@H](c4ccc5nonc5c4)N4CCC[C@@]34C2=O)cc1 ZINC000015062540 558705401 /nfs/dbraw/zinc/70/54/01/558705401.db2.gz QDIGQPAIIPLNNW-HYVJGQCMSA-N 0 3 404.470 3.169 50 0 HGAAHN COc1cccc(-c2cc3nc(SCCN4CCCCC4)n(N)c(=O)c3s2)c1 ZINC000036646163 558800747 /nfs/dbraw/zinc/80/07/47/558800747.db2.gz YZPUAPIQKQEHKV-UHFFFAOYSA-N 0 3 416.572 3.425 50 0 HGAAHN COc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000016752959 558805314 /nfs/dbraw/zinc/80/53/14/558805314.db2.gz AEDICOFGHJTWSP-FQEVSTJZSA-N 0 3 410.445 3.438 50 0 HGAAHN COc1cc(OC)c(OC)cc1CN1CCN(CC2CCCCC2)[C@H](CCO)C1 ZINC000039447052 558821438 /nfs/dbraw/zinc/82/14/38/558821438.db2.gz HEHRYADQWKJZGA-HXUWFJFHSA-N 0 3 406.567 3.161 50 0 HGAAHN Cc1cc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1C ZINC000019225042 558852543 /nfs/dbraw/zinc/85/25/43/558852543.db2.gz ORXZERWSJWWWKB-GOSISDBHSA-N 0 3 407.518 3.346 50 0 HGAAHN COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)N1CCN(C2CCCCC2)CC1 ZINC000019372030 558879511 /nfs/dbraw/zinc/87/95/11/558879511.db2.gz JWAJIOYGIZUNAH-MRXNPFEDSA-N 0 3 412.534 3.232 50 0 HGAAHN NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)c3csc(Br)c3)cc2)C1 ZINC000058306542 558918212 /nfs/dbraw/zinc/91/82/12/558918212.db2.gz NRAIGUCVOCLSJB-ZDUSSCGKSA-N 0 3 422.348 3.460 50 0 HGAAHN COc1ccccc1C[C@@H]1CCCN1CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000058441234 558927627 /nfs/dbraw/zinc/92/76/27/558927627.db2.gz KABBWVBJPYNDIN-NRFANRHFSA-N 0 3 424.541 3.304 50 0 HGAAHN CN(C)CCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021809833 558953056 /nfs/dbraw/zinc/95/30/56/558953056.db2.gz DALDEPSXSVTCDB-QFIPXVFZSA-N 0 3 416.591 3.318 50 0 HGAAHN Cc1ccc([C@H](NC(=O)CCc2cc3n(n2)CCCNC3)c2cccnc2)cc1C ZINC000072423101 558978603 /nfs/dbraw/zinc/97/86/03/558978603.db2.gz MGORTPMWOCTABL-DEOSSOPVSA-N 0 3 403.530 3.227 50 0 HGAAHN CCN(CC)CCSc1nnc(N2CCN(c3ccccc3OC)CC2)s1 ZINC000023139953 559020068 /nfs/dbraw/zinc/02/00/68/559020068.db2.gz QGIAVRJKRPOKBG-UHFFFAOYSA-N 0 3 407.609 3.307 50 0 HGAAHN CCc1ccc(Oc2nccnc2N2CCC(C(=O)NCCN3CCCC3)CC2)cc1 ZINC000033288335 559044269 /nfs/dbraw/zinc/04/42/69/559044269.db2.gz KLNYLNKYDPJUNR-UHFFFAOYSA-N 0 3 423.561 3.260 50 0 HGAAHN CNCC(=O)N1CC(=O)N(c2cccc(-c3ccccc3)c2)C[C@@H]1Cc1ccccc1 ZINC000091644776 559072593 /nfs/dbraw/zinc/07/25/93/559072593.db2.gz UEVNEFCSIRXTDQ-DEOSSOPVSA-N 0 3 413.521 3.360 50 0 HGAAHN c1ccc2[nH]c(CN3C[C@@H](c4ccc5c(c4)OCO5)[C@@H]4[C@H]3C3CCN4CC3)nc2c1 ZINC000095366609 559080120 /nfs/dbraw/zinc/08/01/20/559080120.db2.gz MMBDBAFWFIEPDG-PKKBDPGCSA-N 0 3 402.498 3.354 50 0 HGAAHN Cc1[nH]ccc1C(=O)N(CCN(C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000095523162 559085588 /nfs/dbraw/zinc/08/55/88/559085588.db2.gz WSAFDODFUAIMJU-LJQANCHMSA-N 0 3 400.542 3.378 50 0 HGAAHN COCCN(C[C@H]1CN(Cc2cccs2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000247808689 559119566 /nfs/dbraw/zinc/11/95/66/559119566.db2.gz BFMVLCFRMIGXQR-NQIIRXRSSA-N 0 3 420.550 3.224 50 0 HGAAHN Cc1oc2c(c1C(=O)NCC1CCN(Cc3ccc(F)cc3)CC1)C1=NCCN1C=N2 ZINC000100696470 559257360 /nfs/dbraw/zinc/25/73/60/559257360.db2.gz VSWVHOSJPUEWGK-UHFFFAOYSA-N 0 3 423.492 3.105 50 0 HGAAHN O[C@@H](COc1cccc(CNCc2cccnc2)c1)CN1CCc2ccccc2C1 ZINC000011937825 559268815 /nfs/dbraw/zinc/26/88/15/559268815.db2.gz HHVOYGQPYSNDEE-XMMPIXPASA-N 0 3 403.526 3.169 50 0 HGAAHN O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CCN(CCc2ccccn2)CC1 ZINC000061721386 560537512 /nfs/dbraw/zinc/53/75/12/560537512.db2.gz GJICURDTOJFTCU-JOCHJYFZSA-N 0 3 414.553 3.411 50 0 HGAAHN CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3cccc(F)c3)c(=O)c2C1 ZINC000062007147 560566336 /nfs/dbraw/zinc/56/63/36/560566336.db2.gz SHMMPSSIXGLKKE-UHFFFAOYSA-N 0 3 424.451 3.205 50 0 HGAAHN O=c1occ(C[NH+]2CCCCC2)c([O-])c1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000101372649 560793004 /nfs/dbraw/zinc/79/30/04/560793004.db2.gz UMOFSLFSZRDXML-JXMROGBWSA-N 0 3 423.557 3.162 50 0 HGAAHN COCCN(C[C@H]1CN(Cc2ccc(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000105050261 560860824 /nfs/dbraw/zinc/86/08/24/560860824.db2.gz RFSADAQIBLDOOY-DENIHFKCSA-N 0 3 418.509 3.064 50 0 HGAAHN CCOC(=O)C1=C(CNCCc2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccccc1 ZINC000020283122 568596716 /nfs/dbraw/zinc/59/67/16/568596716.db2.gz YQMGEGVFZQMBOJ-FQEVSTJZSA-N 0 3 413.905 3.343 50 0 HGAAHN CCOC(=O)C1C(CNCCc2ccc(Cl)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000020283122 568596717 /nfs/dbraw/zinc/59/67/17/568596717.db2.gz YQMGEGVFZQMBOJ-FQEVSTJZSA-N 0 3 413.905 3.343 50 0 HGAAHN COC(=O)C1CCN(CCCNC(=O)[C@@H](C)c2ccc(Br)s2)CC1 ZINC000095403452 568605773 /nfs/dbraw/zinc/60/57/73/568605773.db2.gz GVZFGRRKMBNIFS-LBPRGKRZSA-N 0 3 417.369 3.005 50 0 HGAAHN COc1ccc(C(=O)Nc2ccc(CN(C)C)cc2)nc1I ZINC000095445117 568611558 /nfs/dbraw/zinc/61/15/58/568611558.db2.gz ZQTKPPQFPRONCV-UHFFFAOYSA-N 0 3 411.243 3.009 50 0 HGAAHN COc1cccc(C(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3)CC2)c1OC ZINC000095457068 568617975 /nfs/dbraw/zinc/61/79/75/568617975.db2.gz NJGANIVXBYATLN-OAQYLSRUSA-N 0 3 423.557 3.126 50 0 HGAAHN CC(=O)N1c2ccccc2C(=O)C1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020579818 568635410 /nfs/dbraw/zinc/63/54/10/568635410.db2.gz MFHUNMZILYKAPN-FQEVSTJZSA-N 0 3 403.404 3.403 50 0 HGAAHN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000225500094 568643795 /nfs/dbraw/zinc/64/37/95/568643795.db2.gz IMRPHRBFTKBQKT-HKUYNNGSSA-N 0 3 419.953 3.086 50 0 HGAAHN Cc1cc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)ccc1NC(=O)CC(C)C ZINC000096006416 568682733 /nfs/dbraw/zinc/68/27/33/568682733.db2.gz ZRRZSLAUIGSMLI-JOCHJYFZSA-N 0 3 423.557 3.476 50 0 HGAAHN O=S(=O)(c1ccc(-c2cccc(Cl)c2)cc1)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000096099732 568690806 /nfs/dbraw/zinc/69/08/06/568690806.db2.gz RXSUKFQLJKHRLA-FQEVSTJZSA-N 0 3 420.962 3.227 50 0 HGAAHN COc1ccc(OC)c(-c2cc(CN(CCN(C)C)C(=O)NC(C)(C)C)no2)c1 ZINC000096210728 568704517 /nfs/dbraw/zinc/70/45/17/568704517.db2.gz COCWGUBMVYZMFY-UHFFFAOYSA-N 0 3 404.511 3.231 50 0 HGAAHN CO[C@@](C)(C(=O)N1CCC[C@@H](c2n[nH]cc2CN2CCCC2)C1)c1ccccc1F ZINC000240423809 568730109 /nfs/dbraw/zinc/73/01/09/568730109.db2.gz FRBKMPGVLBGIBR-UZUQRXQVSA-N 0 3 414.525 3.412 50 0 HGAAHN O=C(NCCN1CCCCC1)[C@@H]1CCc2sc(C(=O)N3CCCCC3)cc2C1 ZINC000096398386 568747115 /nfs/dbraw/zinc/74/71/15/568747115.db2.gz QMQAYRPHIKEUDM-QGZVFWFLSA-N 0 3 403.592 3.081 50 0 HGAAHN Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000002631280 568791034 /nfs/dbraw/zinc/79/10/34/568791034.db2.gz ODDFIUJTAGTZCI-QFBILLFUSA-N 0 3 420.575 3.030 50 0 HGAAHN CN(C)C1(CNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CCCC1 ZINC000056530350 568810355 /nfs/dbraw/zinc/81/03/55/568810355.db2.gz YBDWHMBOXSXDCE-UHFFFAOYSA-N 0 3 400.544 3.265 50 0 HGAAHN CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CCCN1CCCCC1 ZINC000002973561 568832111 /nfs/dbraw/zinc/83/21/11/568832111.db2.gz PIZUYGFHIQWFEY-UHFFFAOYSA-N 0 3 416.591 3.233 50 0 HGAAHN CC(C)[C@@H](NCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000057435051 568836687 /nfs/dbraw/zinc/83/66/87/568836687.db2.gz CBXSUIFJAOOKQN-JOCHJYFZSA-N 0 3 409.578 3.410 50 0 HGAAHN Cc1cnc(-n2ncc(C(=O)NCCN3CCCC3)c2C2CC2)nc1-c1cccs1 ZINC000299760060 568873227 /nfs/dbraw/zinc/87/32/27/568873227.db2.gz UPRPZQLWTSVIPB-UHFFFAOYSA-N 0 3 422.558 3.402 50 0 HGAAHN CS(=O)(=O)c1ccc(CC(=O)NC[C@H](c2ccccc2)N2CCCCCC2)cc1 ZINC000670447689 568917231 /nfs/dbraw/zinc/91/72/31/568917231.db2.gz RIJMJVHFGDJHRQ-JOCHJYFZSA-N 0 3 414.571 3.366 50 0 HGAAHN CCc1ccc([C@@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)N(C)C)cc1 ZINC000012745557 568931129 /nfs/dbraw/zinc/93/11/29/568931129.db2.gz PILMHKQQMRAWJD-BJKOFHAPSA-N 0 3 420.557 3.197 50 0 HGAAHN O=C(Nc1ccccc1OC(F)F)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000084535855 568950331 /nfs/dbraw/zinc/95/03/31/568950331.db2.gz RFSJONJVHKYTDY-IRXDYDNUSA-N 0 3 405.445 3.293 50 0 HGAAHN COc1ccc(OC)c([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000004301751 568960109 /nfs/dbraw/zinc/96/01/09/568960109.db2.gz MSEGSKYCXNBBCW-NRFANRHFSA-N 0 3 422.481 3.307 50 0 HGAAHN COc1ccc2c(C)c(CCC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)c(=O)oc2c1 ZINC000012808010 568980398 /nfs/dbraw/zinc/98/03/98/568980398.db2.gz RLVJVAAKZFIWAJ-LJQANCHMSA-N 0 3 420.509 3.433 50 0 HGAAHN COc1cc(S(=O)(=O)NCC2(N3CCCCC3)CCCCC2)ccc1NC(C)=O ZINC000008190432 568981262 /nfs/dbraw/zinc/98/12/62/568981262.db2.gz RKJGXEKVJBLCKI-UHFFFAOYSA-N 0 3 423.579 3.121 50 0 HGAAHN CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 ZINC000008343742 568993967 /nfs/dbraw/zinc/99/39/67/568993967.db2.gz QCTZGXAMRXUDJU-LPHOPBHVSA-N 0 3 419.447 3.477 50 0 HGAAHN Cc1cccc(OC[C@H](O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000012905288 569020940 /nfs/dbraw/zinc/02/09/40/569020940.db2.gz DLIONJIXNAEDCJ-GOSISDBHSA-N 0 3 409.452 3.361 50 0 HGAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000012910648 569021568 /nfs/dbraw/zinc/02/15/68/569021568.db2.gz JSCAQWWFZMRCPY-VXKWHMMOSA-N 0 3 407.514 3.371 50 0 HGAAHN O=C(NCCN1CCCCC1)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1 ZINC000035401134 569035488 /nfs/dbraw/zinc/03/54/88/569035488.db2.gz RJZGDVXXOHVRLZ-UHFFFAOYSA-N 0 3 411.525 3.101 50 0 HGAAHN O=C(NCCN1CCCCCC1)c1cnc2sc3c(n2c1=O)CCCCCC3 ZINC000035430594 569036737 /nfs/dbraw/zinc/03/67/37/569036737.db2.gz KNADMDGBRZFTLP-UHFFFAOYSA-N 0 3 402.564 3.021 50 0 HGAAHN O=C(NCCN1CCCCC1)[C@@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1 ZINC000035455152 569037903 /nfs/dbraw/zinc/03/79/03/569037903.db2.gz MYYAPQYFJWSEEQ-LJQANCHMSA-N 0 3 411.525 3.101 50 0 HGAAHN COc1ccc(-c2csc(NC(=O)C3=CC4C=CC=C[C@H]4OC3=O)n2)c(OC)c1 ZINC000006441390 569052830 /nfs/dbraw/zinc/05/28/30/569052830.db2.gz PYEVZSXBSYBGFU-YVEFUNNKSA-N 0 3 410.451 3.360 50 0 HGAAHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@@H]2C1=O ZINC000135898960 569053664 /nfs/dbraw/zinc/05/36/64/569053664.db2.gz CAUKAGFZMJWBNQ-FDFHNCONSA-N 0 3 416.433 3.452 50 0 HGAAHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000242178838 569054982 /nfs/dbraw/zinc/05/49/82/569054982.db2.gz XBHQIULKOZHLCJ-AUSIDOKSSA-N 0 3 421.541 3.219 50 0 HGAAHN CCN1CCC[C@H]1CNC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426730374 569074135 /nfs/dbraw/zinc/07/41/35/569074135.db2.gz HHZPPVCWUVPQOM-INIZCTEOSA-N 0 3 402.564 3.125 50 0 HGAAHN Cn1c(C(=O)NCCCN2CCc3ccccc3C2)cc2c1c1ccccc1oc2=O ZINC000064838952 569106431 /nfs/dbraw/zinc/10/64/31/569106431.db2.gz AKYLMNCDOIREKP-UHFFFAOYSA-N 0 3 415.493 3.463 50 0 HGAAHN CCCCN(CC)C(=O)c1cc(NC(=O)c2cccc(C)c2)cnc1N1CCNCC1 ZINC000065025370 569156366 /nfs/dbraw/zinc/15/63/66/569156366.db2.gz KXMYRCPDGQVDRS-UHFFFAOYSA-N 0 3 423.561 3.314 50 0 HGAAHN CCCNc1cc(N2CCC[C@@H](CCC(=O)N3CCN(CC(C)C)CC3)C2)ncn1 ZINC000065244857 569204891 /nfs/dbraw/zinc/20/48/91/569204891.db2.gz WURRQTATACMPJX-FQEVSTJZSA-N 0 3 416.614 3.095 50 0 HGAAHN COc1ccc2[nH]c(=O)c(CCC(=O)NCCCN3CCc4ccccc4C3)cc2c1 ZINC000065245552 569205318 /nfs/dbraw/zinc/20/53/18/569205318.db2.gz WVXSDIVYVPPPMW-UHFFFAOYSA-N 0 3 419.525 3.446 50 0 HGAAHN COc1ccc(CN2CCC(NC(=O)CC3(n4cccc4)CCOCC3)CC2)cc1 ZINC000524733144 569212793 /nfs/dbraw/zinc/21/27/93/569212793.db2.gz ZBSJKCLAZPIBTJ-UHFFFAOYSA-N 0 3 411.546 3.173 50 0 HGAAHN CC1CCN(C(=O)c2cc3c(s2)CC[C@@H](C(=O)NCCN2CCCCC2)C3)CC1 ZINC000065272641 569215882 /nfs/dbraw/zinc/21/58/82/569215882.db2.gz NQUZCSJIGKEAGS-GOSISDBHSA-N 0 3 417.619 3.327 50 0 HGAAHN CCN1CCC(NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000071186527 569251163 /nfs/dbraw/zinc/25/11/63/569251163.db2.gz WNNKPUSZNGWBKQ-OAHLLOKOSA-N 0 3 409.372 3.059 50 0 HGAAHN CCCCOc1ccc(-c2nnc(CN3CC[C@H](N4CCN(CC)CC4)C3)o2)cc1 ZINC000089954823 569269892 /nfs/dbraw/zinc/26/98/92/569269892.db2.gz NKYKALLLJBVABZ-FQEVSTJZSA-N 0 3 413.566 3.127 50 0 HGAAHN COCCn1c(C)cc(O)c([C@@H](c2ccc(OC)cc2)N2CCC(C)CC2)c1=O ZINC000016993356 569270926 /nfs/dbraw/zinc/27/09/26/569270926.db2.gz SYVLNQLWWGBXCZ-JOCHJYFZSA-N 0 3 400.519 3.339 50 0 HGAAHN COc1ccc([C@@H](CNCc2c(C)nc3sc(C)cn23)N2CCOCC2)cc1 ZINC000237321992 569281960 /nfs/dbraw/zinc/28/19/60/569281960.db2.gz KRJXQUHROWXNCV-HXUWFJFHSA-N 0 3 400.548 3.184 50 0 HGAAHN CCN1CCC[C@@H](NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000252467573 569287066 /nfs/dbraw/zinc/28/70/66/569287066.db2.gz SSNHPGYRRZDWGI-NVXWUHKLSA-N 0 3 409.372 3.059 50 0 HGAAHN Cc1cccc(C(=O)N2CCC3(CC2)C[C@H](N2CCN(CC(C)C)CC2)CCO3)c1 ZINC000581819764 569320764 /nfs/dbraw/zinc/32/07/64/569320764.db2.gz JQNWIGCOBKRELE-HSZRJFAPSA-N 0 3 413.606 3.422 50 0 HGAAHN CCOc1cc(/C=C\C(=O)N2CCCN(C[C@H]3CCCO3)CC2)ccc1OC(F)F ZINC000253388792 569364961 /nfs/dbraw/zinc/36/49/61/569364961.db2.gz XOONOSBGFTWWMK-YPLUBFQTSA-N 0 3 424.488 3.413 50 0 HGAAHN Cn1ccnc1[C@@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000055044130 569376349 /nfs/dbraw/zinc/37/63/49/569376349.db2.gz MYBIUEVTKKGSLP-QFIPXVFZSA-N 0 3 403.530 3.473 50 0 HGAAHN CN(C)C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000078752166 569420236 /nfs/dbraw/zinc/42/02/36/569420236.db2.gz DQLYZGHBQLZQDR-HXUWFJFHSA-N 0 3 415.559 3.068 50 0 HGAAHN CC(=O)Nc1cc(C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)ccc1C ZINC000079022398 569424471 /nfs/dbraw/zinc/42/44/71/569424471.db2.gz NHCJYOOQAJHWBR-ROUUACIJSA-N 0 3 401.551 3.305 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000079474017 569431307 /nfs/dbraw/zinc/43/13/07/569431307.db2.gz UTCLIWVKHYBTTG-UHFFFAOYSA-N 0 3 413.953 3.127 50 0 HGAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)CCCn2cnc3ccccc3c2=O)C1 ZINC000670473487 571101986 /nfs/dbraw/zinc/10/19/86/571101986.db2.gz BHDRXTPLOKKFIC-FQEVSTJZSA-N 0 3 418.541 3.091 50 0 HGAAHN COc1cccc(CNC(=O)c2ccc(N3CCN[C@H](c4ccccc4)C3)nc2)c1 ZINC000039229405 571122032 /nfs/dbraw/zinc/12/20/32/571122032.db2.gz YMLOBIJLSKQXLL-QFIPXVFZSA-N 0 3 402.498 3.171 50 0 HGAAHN CC(C(=O)NCc1ccccc1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000040106131 571166650 /nfs/dbraw/zinc/16/66/50/571166650.db2.gz XAXALAIQOPGIAH-CQSZACIVSA-N 0 3 423.918 3.121 50 0 HGAAHN COc1ccc(CN(C[C@@H](O)COCc2ccccc2)C[C@H]2CCCO2)cc1OC ZINC000245279023 571222333 /nfs/dbraw/zinc/22/23/33/571222333.db2.gz ATUKVMYQOHLSII-FGZHOGPDSA-N 0 3 415.530 3.263 50 0 HGAAHN Cc1ccc(-n2c(CC(=O)NCCN3CCCC[C@H]3C)c3[nH]cccc-3c2=O)cc1 ZINC000245279074 571222420 /nfs/dbraw/zinc/22/24/20/571222420.db2.gz BPYJVMITHDWYSX-WIYYLYMNSA-N 0 3 406.530 3.472 50 0 HGAAHN Cc1nn([C@@H](C)C(=O)NCCN2CCCC[C@H]2C)c(=O)c2c3ccccc3sc21 ZINC000245338871 571225643 /nfs/dbraw/zinc/22/56/43/571225643.db2.gz PAAARZPLPHHPHR-ZBFHGGJFSA-N 0 3 412.559 3.471 50 0 HGAAHN C[C@@]1(C(=O)NCc2ccccc2)CCC(=O)N1C1CCN(Cc2ccccc2)CC1 ZINC000021776818 571314933 /nfs/dbraw/zinc/31/49/33/571314933.db2.gz REJKJXVYCSDQQA-VWLOTQADSA-N 0 3 405.542 3.349 50 0 HGAAHN O=C(CN1c2ccccc2S/C(=C\c2ccccc2)C1=O)NCCN1CCCC1 ZINC000003047102 132262006 /nfs/dbraw/zinc/26/20/06/132262006.db2.gz OGXKQCPSDDEUHY-PGMHBOJBSA-N 0 3 407.539 3.378 50 0 HGAAHN Cc1cc(N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)c2ccccc2n1 ZINC000004336359 132275666 /nfs/dbraw/zinc/27/56/66/132275666.db2.gz RZZUUJGQNVXVFI-UHFFFAOYSA-N 0 3 418.497 3.075 50 0 HGAAHN C[C@H](CCn1cccn1)N1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000012439663 132360130 /nfs/dbraw/zinc/36/01/30/132360130.db2.gz UCUJVUFHPFGBOS-LJQANCHMSA-N 0 3 402.546 3.430 50 0 HGAAHN CCN(CC)[C@@H](CNC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccsc1 ZINC000031984094 520831016 /nfs/dbraw/zinc/83/10/16/520831016.db2.gz GKDIQZLAYOISHZ-IBGZPJMESA-N 0 3 403.548 3.393 50 0 HGAAHN Cc1cccn2c(CN3CC[C@H](c4ccc(F)cc4)C3)c(C(=O)N3CCOCC3)nc12 ZINC000020539497 525462880 /nfs/dbraw/zinc/46/28/80/525462880.db2.gz OXOKFEBQEJEQEY-IBGZPJMESA-N 0 3 422.504 3.244 50 0 HGAAHN CSc1ccccc1CN1CCC(CNC(=O)C(=O)NCc2cccs2)CC1 ZINC000043942533 526158664 /nfs/dbraw/zinc/15/86/64/526158664.db2.gz MDYYDKZCTKDZJG-UHFFFAOYSA-N 0 3 417.600 3.115 50 0 HGAAHN COc1cccc(C(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c1OC ZINC000000872191 557107271 /nfs/dbraw/zinc/10/72/71/557107271.db2.gz IJRZFXBAKOXBOX-UHFFFAOYSA-N 0 3 423.557 3.126 50 0 HGAAHN CCN1CCN(C(=O)c2ccc(CN3CCN(c4ccccc4C)CC3)cc2)CC1 ZINC000034684154 557386943 /nfs/dbraw/zinc/38/69/43/557386943.db2.gz AZWIYHXYHPLCHW-UHFFFAOYSA-N 0 3 406.574 3.095 50 0 HGAAHN COc1c(C)cc([C@H]2CCc3nc(C(=O)NCCN4CCCCC4)cn3C2)cc1C ZINC000034899234 557480716 /nfs/dbraw/zinc/48/07/16/557480716.db2.gz UJDNOGIBFXNLKS-IBGZPJMESA-N 0 3 410.562 3.454 50 0 HGAAHN CC(C)(C)c1ccc(OC[C@H](O)CNCCNc2nccc(C(F)(F)F)n2)cc1 ZINC000004299450 557537399 /nfs/dbraw/zinc/53/73/99/557537399.db2.gz KWZDGFZQAPLLNE-OAHLLOKOSA-N 0 3 412.456 3.234 50 0 HGAAHN CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)CN3CCc4ccccc4C3)cc21 ZINC000009970621 557852436 /nfs/dbraw/zinc/85/24/36/557852436.db2.gz TUPOTXLSGDRCON-FQEVSTJZSA-N 0 3 422.525 3.461 50 0 HGAAHN CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2cnc(C)[nH]2)CC1)c1ccccc1 ZINC000011820180 558283356 /nfs/dbraw/zinc/28/33/56/558283356.db2.gz HKGOJVXISOQGND-OAQYLSRUSA-N 0 3 408.506 3.078 50 0 HGAAHN Cc1ccc(C(=O)N(C)[C@H]2CCCN(CCc3ccccc3)C2)cc1N1CCNC1=O ZINC000012050361 558313875 /nfs/dbraw/zinc/31/38/75/558313875.db2.gz VCBRDUDKKNSQMY-QFIPXVFZSA-N 0 3 420.557 3.304 50 0 HGAAHN O=C(Nc1ccnn1C1CCN(Cc2cccc(OCCO)c2)CC1)C1CCCC1 ZINC000012055280 558315639 /nfs/dbraw/zinc/31/56/39/558315639.db2.gz BEFNPWZEEWHBMU-UHFFFAOYSA-N 0 3 412.534 3.220 50 0 HGAAHN COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)CSc2ccccc2)CC1 ZINC000012209059 558353545 /nfs/dbraw/zinc/35/35/45/558353545.db2.gz MTAVARUKRDHCOM-FQEVSTJZSA-N 0 3 406.592 3.145 50 0 HGAAHN COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c2ccccc12 ZINC000012281202 558365205 /nfs/dbraw/zinc/36/52/05/558365205.db2.gz HSUIGNNTKNPLQR-KRWDZBQOSA-N 0 3 421.545 3.331 50 0 HGAAHN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3cccc4c3OCO4)C2)CC1 ZINC000020451278 558365767 /nfs/dbraw/zinc/36/57/67/558365767.db2.gz ZCUYOWCTAUUJJV-HXUWFJFHSA-N 0 3 409.530 3.211 50 0 HGAAHN O=C(CC[C@H]1CCCN(Cc2cccnc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000020455185 558369061 /nfs/dbraw/zinc/36/90/61/558369061.db2.gz VVISKCLLOHHJGG-HSZRJFAPSA-N 0 3 406.574 3.418 50 0 HGAAHN CCN1CCN(CCc2nc3cc(NC(=O)Nc4ccccc4)ccc3n2C)CC1 ZINC000020533486 558384580 /nfs/dbraw/zinc/38/45/80/558384580.db2.gz NSBQHSBWLSMRSV-UHFFFAOYSA-N 0 3 406.534 3.397 50 0 HGAAHN CCCCN1C(=O)C(CC(=O)Nc2ccc3c(c2)OCO3)n2c3ccccc3nc21 ZINC000020717711 558401792 /nfs/dbraw/zinc/40/17/92/558401792.db2.gz PQOKRJADCFIRBM-QGZVFWFLSA-N 0 3 406.442 3.482 50 0 HGAAHN CN(Cc1cnc(N2CCOCC2)s1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000020782951 558413114 /nfs/dbraw/zinc/41/31/14/558413114.db2.gz RKDUHMLSVWGTNS-HXUWFJFHSA-N 0 3 412.603 3.043 50 0 HGAAHN CC(C)c1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1 ZINC000020995873 558426873 /nfs/dbraw/zinc/42/68/73/558426873.db2.gz QCFQSCKROTWEHG-UHFFFAOYSA-N 0 3 407.518 3.025 50 0 HGAAHN COc1cc(C(=O)NC[C@H]2OCCc3ccccc32)ccc1OC1CCN(C)CC1 ZINC000012577142 558431279 /nfs/dbraw/zinc/43/12/79/558431279.db2.gz SPAWTNHORWOACO-HSZRJFAPSA-N 0 3 410.514 3.212 50 0 HGAAHN O=C(c1ccccc1OC1CCN(Cc2ccc(OCCO)cc2)CC1)N1CCCC1 ZINC000012595435 558437481 /nfs/dbraw/zinc/43/74/81/558437481.db2.gz HYGQWIQFRFGRJH-UHFFFAOYSA-N 0 3 424.541 3.337 50 0 HGAAHN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC000012596765 558438212 /nfs/dbraw/zinc/43/82/12/558438212.db2.gz AVLAVVRMBHHQLZ-NRFANRHFSA-N 0 3 416.562 3.284 50 0 HGAAHN COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2SC)CC1 ZINC000012762624 558461291 /nfs/dbraw/zinc/46/12/91/558461291.db2.gz DGOAESQSKKVNJP-IBGZPJMESA-N 0 3 406.592 3.388 50 0 HGAAHN Cn1cc(CN2CCN(CCC(N)=O)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000022853608 558517152 /nfs/dbraw/zinc/51/71/52/558517152.db2.gz UFGFPMLKPTYSJI-UHFFFAOYSA-N 0 3 409.578 3.128 50 0 HGAAHN COc1ccccc1NC(=O)CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382185 558555698 /nfs/dbraw/zinc/55/56/98/558555698.db2.gz ZNTADTSTSTUAAH-KXBFYZLASA-N 0 3 420.469 3.140 50 0 HGAAHN COc1ccccc1[C@@H](CNc1ccc2nnc(C(F)(F)F)n2n1)N1CCCC1 ZINC000024893372 558619286 /nfs/dbraw/zinc/61/92/86/558619286.db2.gz UIFZKTJNSIGSMV-CQSZACIVSA-N 0 3 406.412 3.401 50 0 HGAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014184205 558629640 /nfs/dbraw/zinc/62/96/40/558629640.db2.gz WGDVCZQOANVJFO-JOCHJYFZSA-N 0 3 409.505 3.069 50 0 HGAAHN COc1ccc([C@@H]2CCCCCN2C[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000025231751 558635370 /nfs/dbraw/zinc/63/53/70/558635370.db2.gz DHLQMQQQQLGETD-GCJKJVERSA-N 0 3 408.498 3.269 50 0 HGAAHN COc1ccc(CN(C)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000026901020 558666670 /nfs/dbraw/zinc/66/66/70/558666670.db2.gz RQGZAMNLOCUXOP-UHFFFAOYSA-N 0 3 415.509 3.014 50 0 HGAAHN C[C@@H](NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1Cl ZINC000026901898 558666754 /nfs/dbraw/zinc/66/67/54/558666754.db2.gz YYSGSXAWMXPRIL-CQSZACIVSA-N 0 3 408.333 3.173 50 0 HGAAHN COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ccccc1)CC2 ZINC000014745722 558668960 /nfs/dbraw/zinc/66/89/60/558668960.db2.gz MQVNVXNUXFGQMR-UHFFFAOYSA-N 0 3 421.541 3.175 50 0 HGAAHN COc1ccc(C(=O)N[C@H](C)c2cn(C)nc2C)cc1OC1CCN(C(C)C)CC1 ZINC000014962115 558684387 /nfs/dbraw/zinc/68/43/87/558684387.db2.gz CLAJJGGYTPEMMT-MRXNPFEDSA-N 0 3 414.550 3.480 50 0 HGAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)CC(F)(F)F ZINC000014981209 558691596 /nfs/dbraw/zinc/69/15/96/558691596.db2.gz OYXGPRHOAMTEQR-MRXNPFEDSA-N 0 3 403.464 3.380 50 0 HGAAHN Cc1nnc([C@@H](C)NC(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)[n-]1 ZINC000015073484 558714190 /nfs/dbraw/zinc/71/41/90/558714190.db2.gz QJZAKVKFNGNIQQ-QGZVFWFLSA-N 0 3 403.530 3.002 50 0 HGAAHN Cc1nnc([C@@H](C)NC(=O)C2([N@@H+](C)CCc3ccccc3)Cc3ccccc3C2)[n-]1 ZINC000015073484 558714194 /nfs/dbraw/zinc/71/41/94/558714194.db2.gz QJZAKVKFNGNIQQ-QGZVFWFLSA-N 0 3 403.530 3.002 50 0 HGAAHN O=C(CNC(=O)c1ccc2ccccc2c1)NCCCN1CCc2ccccc2C1 ZINC000029840018 558722179 /nfs/dbraw/zinc/72/21/79/558722179.db2.gz OUBOMKAJMYSUAP-UHFFFAOYSA-N 0 3 401.510 3.134 50 0 HGAAHN CCS[C@@H]1CC[C@H](N(C)CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000072304991 558756788 /nfs/dbraw/zinc/75/67/88/558756788.db2.gz HHPIENICULYOPB-VQTJNVASSA-N 0 3 403.592 3.031 50 0 HGAAHN CCCC(=O)OC[C@H](O)CN(Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000036095779 558797640 /nfs/dbraw/zinc/79/76/40/558797640.db2.gz YWZVMCXBNCBSLJ-HXUWFJFHSA-N 0 3 401.503 3.410 50 0 HGAAHN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NC1CCN(Cc2ccccc2)CC1 ZINC000033026952 558848318 /nfs/dbraw/zinc/84/83/18/558848318.db2.gz HMJZDRBXOSOXHT-UHFFFAOYSA-N 0 3 418.541 3.184 50 0 HGAAHN Cc1ccc(C(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)cc1N1CCNC1=O ZINC000067973848 558862279 /nfs/dbraw/zinc/86/22/79/558862279.db2.gz SUYVXNGDZUXXKL-JOCHJYFZSA-N 0 3 420.557 3.352 50 0 HGAAHN COc1ccc(-c2n[nH]cc2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1OC ZINC000072329297 558864749 /nfs/dbraw/zinc/86/47/49/558864749.db2.gz OHSITWFJKWQMEH-UHFFFAOYSA-N 0 3 420.513 3.488 50 0 HGAAHN CCOc1cc(/C=C/C(=O)N2CCCN(C[C@H]3CCCO3)CC2)ccc1OC(F)F ZINC000058017756 558895653 /nfs/dbraw/zinc/89/56/53/558895653.db2.gz XOONOSBGFTWWMK-PDFOZTTASA-N 0 3 424.488 3.413 50 0 HGAAHN COc1cc(NC(=O)CC2C(=O)Nc3c(-c4ccccc4)cnn32)cc(OC)c1OC ZINC000071287836 558896987 /nfs/dbraw/zinc/89/69/87/558896987.db2.gz QGWUMQOVOVEBTB-MRXNPFEDSA-N 0 3 422.441 3.098 50 0 HGAAHN CC(C)N1C[C@@H](CCN2CCN(C)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000071769348 558910900 /nfs/dbraw/zinc/91/09/00/558910900.db2.gz QVBQPQLUNIZAEJ-XMMPIXPASA-N 0 3 405.586 3.477 50 0 HGAAHN CCOc1ccc(-c2nc(CSCC(=O)NCCN3CCCC3)c(C)o2)cc1 ZINC000004714931 558914479 /nfs/dbraw/zinc/91/44/79/558914479.db2.gz BVHWHRPRDBAQPR-UHFFFAOYSA-N 0 3 403.548 3.494 50 0 HGAAHN CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCCN3CCCCC3)c2)C1 ZINC000033264389 558984422 /nfs/dbraw/zinc/98/44/22/558984422.db2.gz RDXZOCGIGCWMAA-OAQYLSRUSA-N 0 3 400.567 3.200 50 0 HGAAHN Cc1[nH]c(=O)[nH]c(=O)c1CN1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000067757698 558992450 /nfs/dbraw/zinc/99/24/50/558992450.db2.gz FKXSSXUYNAYXFU-HXUWFJFHSA-N 0 3 403.482 3.134 50 0 HGAAHN CN(C)Cc1ccc(CNC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1 ZINC000096883385 558993625 /nfs/dbraw/zinc/99/36/25/558993625.db2.gz AZAGVCHJQFZZSN-SEYXRHQNSA-N 0 3 405.542 3.316 50 0 HGAAHN C[C@@H](N)C(=O)N1CCOc2c(O)cc(-c3ncc(C(F)(F)F)cc3Cl)cc2C1 ZINC000067934729 558994959 /nfs/dbraw/zinc/99/49/59/558994959.db2.gz YLLUKWJNZIJUPC-SECBINFHSA-N 0 3 415.799 3.195 50 0 HGAAHN CCOc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1F ZINC000023127734 559016024 /nfs/dbraw/zinc/01/60/24/559016024.db2.gz HZBUSYLLCWEWBF-UHFFFAOYSA-N 0 3 412.552 3.476 50 0 HGAAHN CCNC(=O)COc1ccc(CNc2cccc(N3CCN(C(C)C)CC3)c2)cc1 ZINC000097032359 559021108 /nfs/dbraw/zinc/02/11/08/559021108.db2.gz RAROBLRJKNRSSP-UHFFFAOYSA-N 0 3 410.562 3.344 50 0 HGAAHN O=C(CN(C[C@H]1CCOC1)C1CC1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000247726315 559078000 /nfs/dbraw/zinc/07/80/00/559078000.db2.gz CXIZJYGEFJRNDW-DYESRHJHSA-N 0 3 405.970 3.094 50 0 HGAAHN Cc1c2ccccc2[nH]c1CN1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000095498080 559081669 /nfs/dbraw/zinc/08/16/69/559081669.db2.gz BCMHHEBQPWADRF-UHFFFAOYSA-N 0 3 403.530 3.485 50 0 HGAAHN Cc1c2ccccc2[nH]c1CN1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095498080 559081671 /nfs/dbraw/zinc/08/16/71/559081671.db2.gz BCMHHEBQPWADRF-UHFFFAOYSA-N 0 3 403.530 3.485 50 0 HGAAHN Cc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)OCCN(C)C)cc1 ZINC000005054836 559237568 /nfs/dbraw/zinc/23/75/68/559237568.db2.gz HJWZKLATRQRKHT-QNGOZBTKSA-N 0 3 405.498 3.362 50 0 HGAAHN CC(C(=O)NCc1ccc(F)cc1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000044639421 560897100 /nfs/dbraw/zinc/89/71/00/560897100.db2.gz OEJUCHZEIICCIA-LBPRGKRZSA-N 0 3 403.397 3.464 50 0 HGAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000047732879 568431117 /nfs/dbraw/zinc/43/11/17/568431117.db2.gz BILYUNOSQRWUNV-QFIPXVFZSA-N 0 3 417.513 3.250 50 0 HGAAHN CCN1CCN(Cc2ccc(CNC(=O)[C@H]3Cc4cc(Cl)ccc4O3)cc2)CC1 ZINC000048332089 568439994 /nfs/dbraw/zinc/43/99/94/568439994.db2.gz HSMPASCZKJJMEE-JOCHJYFZSA-N 0 3 413.949 3.097 50 0 HGAAHN CCN1CCCN(c2ccc(C(=O)N3CCC[C@@H](C(=O)CC(C)C)C3)cn2)CC1 ZINC000216442967 568465473 /nfs/dbraw/zinc/46/54/73/568465473.db2.gz GKVPFXJJXRHYEN-HXUWFJFHSA-N 0 3 400.567 3.081 50 0 HGAAHN Cc1oc2cc3c(cc2c1C(=O)OCCN(C)C)oc(C)c3C(=O)OCCN(C)C ZINC000000806681 568487658 /nfs/dbraw/zinc/48/76/58/568487658.db2.gz WXQUZMCQBBNKNQ-UHFFFAOYSA-N 0 3 416.474 3.233 50 0 HGAAHN CCOC(=O)C(C)(C)n1cc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cn1 ZINC000095423095 568607549 /nfs/dbraw/zinc/60/75/49/568607549.db2.gz FPNLXRHTAMVMIL-KRWDZBQOSA-N 0 3 416.497 3.171 50 0 HGAAHN C=C1C(Nc2ccc(CN3CCN(CC)CC3)cc2)=NS(=O)(=O)C1c1ccccc1 ZINC000020901155 568649800 /nfs/dbraw/zinc/64/98/00/568649800.db2.gz YHTHDTKNXZIBDD-UHFFFAOYSA-N 0 3 424.570 3.409 50 0 HGAAHN CCN(CC)c1ncc2c(n1)CC[C@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C2 ZINC000096310488 568674361 /nfs/dbraw/zinc/67/43/61/568674361.db2.gz UOXSYTQLMOSMHS-FQEVSTJZSA-N 0 3 421.589 3.209 50 0 HGAAHN CCOc1ccc(OCC)c(NC(=O)C2=C(C)C(=O)OC23CCN(CC)CC3)c1 ZINC000021868604 568756064 /nfs/dbraw/zinc/75/60/64/568756064.db2.gz WHUZRGMPMRVEBU-UHFFFAOYSA-N 0 3 402.491 3.150 50 0 biogenic HGAAHN CCc1nc2ccccc2c(NC(=O)CNCCc2ccc(OC)c(OC)c2)c1C ZINC000005842064 568825459 /nfs/dbraw/zinc/82/54/59/568825459.db2.gz GTLLWHQJJVBSIF-UHFFFAOYSA-N 0 3 407.514 3.316 50 0 HGAAHN O=C(C1[C@@H](c2c(F)cccc2Cl)NC(=O)N[C@@]1(O)c1ccccc1)C(F)(F)F ZINC000227034475 568827486 /nfs/dbraw/zinc/82/74/86/568827486.db2.gz GLDVABPFDZZKSU-JJRVBVJISA-N 0 3 416.758 3.426 50 0 HGAAHN O=C(CC[C@@H](O)c1ccc2c(c1)CCC(=O)N2)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000230283508 568857656 /nfs/dbraw/zinc/85/76/56/568857656.db2.gz WDJHVOIQPUXOTG-FYYLOGMGSA-N 0 3 421.541 3.166 50 0 HGAAHN Cc1ccccc1CN1CCCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000030154155 568858407 /nfs/dbraw/zinc/85/84/07/568858407.db2.gz KRQHLJDHWIBVTH-UHFFFAOYSA-N 0 3 417.351 3.299 50 0 HGAAHN Cc1cnc(-n2ncc(C(=O)N3CC[C@H](N(C)C)C3)c2C2CC2)nc1-c1cccs1 ZINC000299766015 568873809 /nfs/dbraw/zinc/87/38/09/568873809.db2.gz ANYQDJIDGHNLHQ-INIZCTEOSA-N 0 3 422.558 3.353 50 0 HGAAHN Cn1nnc(-c2ccc(C(=O)NC[C@H](c3ccccc3)N3CCCCCC3)cc2)n1 ZINC000670440773 568890506 /nfs/dbraw/zinc/89/05/06/568890506.db2.gz CKWZGFQHIDUWDF-OAQYLSRUSA-N 0 3 404.518 3.224 50 0 HGAAHN CN(C)C(=O)N1CCC(C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)CC1 ZINC000670440454 568892539 /nfs/dbraw/zinc/89/25/39/568892539.db2.gz MPNGRIIHNZJBJB-OAQYLSRUSA-N 0 3 400.567 3.114 50 0 HGAAHN CCc1ccc([C@H](CNC(=O)CNC(=O)Cc2cccc3ccccc32)N(C)C)cc1 ZINC000012753416 568941947 /nfs/dbraw/zinc/94/19/47/568941947.db2.gz KXGZIQNCVYBYCS-DEOSSOPVSA-N 0 3 417.553 3.480 50 0 HGAAHN COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C(C)C)N[C@@]23c2cccc(C)c2NC3=O)c1 ZINC000004090941 568942250 /nfs/dbraw/zinc/94/22/50/568942250.db2.gz NUWKCRBCXHDKKZ-GGUMNFRJSA-N 0 3 423.513 3.432 50 0 biogenic HGAAHN COc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCCC2)cc1 ZINC000012754332 568942327 /nfs/dbraw/zinc/94/23/27/568942327.db2.gz UBOBNMYEBPJCJE-OFNKIYASSA-N 0 3 421.541 3.310 50 0 HGAAHN CN(C)C[C@H](O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000001829056 569056258 /nfs/dbraw/zinc/05/62/58/569056258.db2.gz LIHDYPZAJXATFM-AWEZNQCLSA-N 0 3 403.331 3.111 50 0 HGAAHN CCc1cc2c(cc1OC(=O)[C@@H](C)N)oc([C@H](C)N)c(-c1nc(C)cs1)c2=O ZINC000001882462 569056860 /nfs/dbraw/zinc/05/68/60/569056860.db2.gz QBUYAFYGACENJH-WDEREUQCSA-N 0 3 401.488 3.060 50 0 biogenic HGAAHN Cc1noc(C)c1CN1CCc2c(C(=O)NC[C@H]3CCCCN3C)csc2C1 ZINC000426399006 569072731 /nfs/dbraw/zinc/07/27/31/569072731.db2.gz JSPADKZMLQMGGD-MRXNPFEDSA-N 0 3 402.564 3.125 50 0 HGAAHN CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4c[nH]c(=O)[n-]c4=O)C3)C2)cc1 ZINC000426517688 569073288 /nfs/dbraw/zinc/07/32/88/569073288.db2.gz XAUPJWVLLLAEQO-HSZRJFAPSA-N 0 3 410.518 3.140 50 0 HGAAHN CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4c[nH]c(=O)[n-]c4=O)C3)C2)cc1 ZINC000426517688 569073289 /nfs/dbraw/zinc/07/32/89/569073289.db2.gz XAUPJWVLLLAEQO-HSZRJFAPSA-N 0 3 410.518 3.140 50 0 HGAAHN COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C(C)C)N[C@@]23c2ccccc2NC3=O)c1 ZINC000006623976 569075429 /nfs/dbraw/zinc/07/54/29/569075429.db2.gz RFBLYERDCPOBQR-UQNRQAKVSA-N 0 3 409.486 3.124 50 0 biogenic HGAAHN CN(CCNC(=O)CC1CCN(C(=O)NC2CCCCC2)CC1)Cc1ccccc1 ZINC000064847052 569108270 /nfs/dbraw/zinc/10/82/70/569108270.db2.gz WBFNRXMGVWBRSE-UHFFFAOYSA-N 0 3 414.594 3.379 50 0 HGAAHN O=C(CCCn1sc2ccccc2c1=O)NCCCN1CCc2ccccc2C1 ZINC000006800198 569126862 /nfs/dbraw/zinc/12/68/62/569126862.db2.gz PKYHWRFFRNDWBE-UHFFFAOYSA-N 0 3 409.555 3.408 50 0 HGAAHN CCCN(CCC)C(=O)c1cc(NC(=O)c2ccc(C)cc2)cnc1N1CCNCC1 ZINC000065025335 569156231 /nfs/dbraw/zinc/15/62/31/569156231.db2.gz FPNJFJKYTLJQJD-UHFFFAOYSA-N 0 3 423.561 3.314 50 0 HGAAHN COc1ccc([C@H](CC(=O)NC2CCN(Cc3ccccc3C)CC2)NC(C)=O)cc1 ZINC000036392204 569167501 /nfs/dbraw/zinc/16/75/01/569167501.db2.gz URNRWIOFXOELHI-DEOSSOPVSA-N 0 3 423.557 3.352 50 0 HGAAHN Cc1cc(C)c2c(n1)nc(C(=O)NC1CCN(Cc3ccccc3)CC1)nc2N(C)C ZINC000065231936 569201308 /nfs/dbraw/zinc/20/13/08/569201308.db2.gz SYKUKSVSYJCQFB-UHFFFAOYSA-N 0 3 418.545 3.102 50 0 HGAAHN CN1CCC(NC(=O)[C@@H]2CCc3sc(C(=O)N4CCCCCC4)cc3C2)CC1 ZINC000065273146 569216048 /nfs/dbraw/zinc/21/60/48/569216048.db2.gz JZGORWRLRYKZTN-MRXNPFEDSA-N 0 3 403.592 3.080 50 0 HGAAHN CC[C@H]1CCCCN1Cc1ccc(CNC(=O)c2c(C)oc3ncn(C)c(=O)c32)o1 ZINC000065329565 569224800 /nfs/dbraw/zinc/22/48/00/569224800.db2.gz ZJVPDFNRTRHKJR-HNNXBMFYSA-N 0 3 412.490 3.122 50 0 HGAAHN CN(C)CCNc1nc2nn(-c3ccccc3)c(N)c2c(-c2cccc(F)c2F)n1 ZINC000037360066 569283427 /nfs/dbraw/zinc/28/34/27/569283427.db2.gz MGMFJJUJNBSWGA-UHFFFAOYSA-N 0 3 409.444 3.316 50 0 HGAAHN CC(C)c1ccc([C@H](N)CNC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)cc1 ZINC000170676891 569297917 /nfs/dbraw/zinc/29/79/17/569297917.db2.gz KAPZNRBXHNDJKM-GOSISDBHSA-N 0 3 410.486 3.377 50 0 HGAAHN CN(C)CCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2ccco2)c1 ZINC000037600420 569309105 /nfs/dbraw/zinc/30/91/05/569309105.db2.gz KXZSBIRURFCKTQ-UHFFFAOYSA-N 0 3 405.498 3.347 50 0 HGAAHN CC(C)N1CCN([C@H]2CCOC3(CCN(C(=O)c4cc5ccccc5[nH]4)CC3)C2)CC1 ZINC000581819832 569320886 /nfs/dbraw/zinc/32/08/86/569320886.db2.gz NKSGDNNSSBLOIX-NRFANRHFSA-N 0 3 424.589 3.348 50 0 HGAAHN CN(C(=O)COc1cccc2c1OC(C)(C)C2)C1CCN(CCc2ccccn2)CC1 ZINC000078720210 569420050 /nfs/dbraw/zinc/42/00/50/569420050.db2.gz YZNNCAPERUMWET-UHFFFAOYSA-N 0 3 423.557 3.339 50 0 HGAAHN CCN1CCC(N(C)C(=O)CCC(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 ZINC000078964409 569422178 /nfs/dbraw/zinc/42/21/78/569422178.db2.gz CHBMHROKULZIJZ-UHFFFAOYSA-N 0 3 411.930 3.019 50 0 HGAAHN CN(C)CCn1c(=O)c2ccccc2nc1SCc1ccc(N2CCCC2=O)cc1 ZINC000067258699 571057883 /nfs/dbraw/zinc/05/78/83/571057883.db2.gz PNZGZAXDRSBCMW-UHFFFAOYSA-N 0 3 422.554 3.377 50 0 HGAAHN CCN1CCN(Cc2ccccc2CNC(=O)CSc2ccccc2F)CC1 ZINC000040089840 571159724 /nfs/dbraw/zinc/15/97/24/571159724.db2.gz FHUVJRDKPBBOLD-UHFFFAOYSA-N 0 3 401.551 3.372 50 0 HGAAHN C=C1C(N2CCC(N3CCCCC3)CC2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000009286577 571245103 /nfs/dbraw/zinc/24/51/03/571245103.db2.gz IMQRYHOMWBBHLA-UHFFFAOYSA-N 0 3 403.548 3.118 50 0 HGAAHN CN1c2ccccc2[C@]2(C1=O)[C@@H](C(=O)NCc1ccccc1Cl)C[C@H]1CCCN12 ZINC000057992422 571315456 /nfs/dbraw/zinc/31/54/56/571315456.db2.gz INHHSVFJVYCHNZ-JTUHZDRVSA-N 0 3 409.917 3.312 50 0 HGAAHN CCCCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000032923881 520940645 /nfs/dbraw/zinc/94/06/45/520940645.db2.gz GGSMGMCKJLCHMP-NRFANRHFSA-N 0 3 415.559 3.233 50 0 HGAAHN CCN1CCN(c2ccc(NC(=O)C3CCN(C(=O)C(C)(C)C)CC3)cc2C)CC1 ZINC000036632505 521698468 /nfs/dbraw/zinc/69/84/68/521698468.db2.gz URPWJTFHSAITPE-UHFFFAOYSA-N 0 3 414.594 3.360 50 0 HGAAHN COc1cc(CS(=O)(=O)C(C)C(=O)N(C)C2CCCCC2)ccc1OC(F)F ZINC000032929813 522500680 /nfs/dbraw/zinc/50/06/80/522500680.db2.gz JQISUYRFFNXVHQ-ZDUSSCGKSA-N 0 3 419.490 3.391 50 0 HGAAHN COc1ccc2nc(C)cc(N3CCN(S(=O)(=O)c4cccs4)CC3)c2c1 ZINC000006510454 537048421 /nfs/dbraw/zinc/04/84/21/537048421.db2.gz HRVJXFKHYGWSQS-UHFFFAOYSA-N 0 3 403.529 3.124 50 0 HGAAHN CCN1CCN(C(=O)c2ccc(CN3CCN(c4cccc(C)c4C)CC3)cc2)CC1 ZINC000034684878 557387993 /nfs/dbraw/zinc/38/79/93/557387993.db2.gz OXSLTGRLURJGMC-UHFFFAOYSA-N 0 3 420.601 3.403 50 0 HGAAHN CCOc1cc(CNCCCN2CCOCC2)cc(Br)c1OCC ZINC000006703393 557716301 /nfs/dbraw/zinc/71/63/01/557716301.db2.gz REYZLOQDUJGLFD-UHFFFAOYSA-N 0 3 401.345 3.058 50 0 HGAAHN COc1ccc(CC(=O)NC[C@H]2CCCN(Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011661623 558265582 /nfs/dbraw/zinc/26/55/82/558265582.db2.gz YRXLBFVAAKEIJO-LJQANCHMSA-N 0 3 412.530 3.283 50 0 HGAAHN CCn1ccnc1CN1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000011819842 558283097 /nfs/dbraw/zinc/28/30/97/558283097.db2.gz ZNGIECZDDRXLOS-QHCPKHFHSA-N 0 3 423.605 3.286 50 0 HGAAHN Cc1cc(C)n(C[C@H](C)NCc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)n1 ZINC000011935504 558299401 /nfs/dbraw/zinc/29/94/01/558299401.db2.gz FLRJTJAYNFOBCV-SFHVURJKSA-N 0 3 408.550 3.260 50 0 HGAAHN Cc1cc(OCC(=O)NCC2(N3CCN(C)CC3)CCCCC2)cc(C)c1Cl ZINC000019902162 558305314 /nfs/dbraw/zinc/30/53/14/558305314.db2.gz FKNPUTFWWVCFOZ-UHFFFAOYSA-N 0 3 407.986 3.402 50 0 HGAAHN OCC[C@@H]1CN(Cc2c[nH]nc2-c2cccc(F)c2)CCN1CCc1ccccc1 ZINC000020208023 558347136 /nfs/dbraw/zinc/34/71/36/558347136.db2.gz HPVYDAIYVOGLBM-HSZRJFAPSA-N 0 3 408.521 3.327 50 0 HGAAHN O=C1C[C@H](c2cccc(Cl)c2)[C@@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 ZINC000020218668 558348400 /nfs/dbraw/zinc/34/84/00/558348400.db2.gz YACGSFQFKLDZPH-FVTFTPSCSA-N 0 3 420.900 3.302 50 0 HGAAHN Cc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000020454107 558368080 /nfs/dbraw/zinc/36/80/80/558368080.db2.gz MICGVKJMPMJJPE-HXUWFJFHSA-N 0 3 417.557 3.455 50 0 HGAAHN CN(CC(=O)N(C)CC1CCN(CCc2ccc(F)cc2)CC1)Cc1ccncc1 ZINC000012315495 558378861 /nfs/dbraw/zinc/37/88/61/558378861.db2.gz CMZQBLBOPGDARI-UHFFFAOYSA-N 0 3 412.553 3.066 50 0 HGAAHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)Cc4cccnc4)C3)C2)c1OC ZINC000012434557 558408332 /nfs/dbraw/zinc/40/83/32/558408332.db2.gz VTSLKVUVEHDOGS-XMMPIXPASA-N 0 3 409.530 3.156 50 0 HGAAHN Cc1cc(C)n2nc(C(=O)N(C)[C@@H]3CCCN(C4Cc5ccccc5C4)C3)cc2n1 ZINC000012438118 558409834 /nfs/dbraw/zinc/40/98/34/558409834.db2.gz GWRVKXZXQJHUBP-HXUWFJFHSA-N 0 3 403.530 3.050 50 0 HGAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cscn1 ZINC000012441701 558412427 /nfs/dbraw/zinc/41/24/27/558412427.db2.gz DHBAUQQQEMQLKY-KRWDZBQOSA-N 0 3 404.555 3.198 50 0 HGAAHN CCn1nc(C)c(CN2CCC[C@@H](CNC(=O)c3cccc(OC)c3OC)C2)c1C ZINC000012459753 558418807 /nfs/dbraw/zinc/41/88/07/558418807.db2.gz RMXBSCWMKVOEDJ-SFHVURJKSA-N 0 3 414.550 3.179 50 0 HGAAHN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC000012596770 558438186 /nfs/dbraw/zinc/43/81/86/558438186.db2.gz AVLAVVRMBHHQLZ-OAQYLSRUSA-N 0 3 416.562 3.284 50 0 HGAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000021793673 558449357 /nfs/dbraw/zinc/44/93/57/558449357.db2.gz FWAMWVQKLQPNKG-UHFFFAOYSA-N 0 3 419.451 3.366 50 0 HGAAHN COc1cc(CNCCc2nnc3ccccn32)ccc1OCc1csc(C)n1 ZINC000021866282 558452783 /nfs/dbraw/zinc/45/27/83/558452783.db2.gz GTZFNRWXVMLCGU-UHFFFAOYSA-N 0 3 409.515 3.414 50 0 HGAAHN OCC[C@@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CCN1CCc1ccccc1 ZINC000022932832 558485883 /nfs/dbraw/zinc/48/58/83/558485883.db2.gz JWKRBUIXPMHKTO-HSZRJFAPSA-N 0 3 418.541 3.380 50 0 HGAAHN COc1ccccc1-c1nn(Cc2ccccc2)cc1CNCCN1CCOCC1 ZINC000022774270 558509159 /nfs/dbraw/zinc/50/91/59/558509159.db2.gz GBSBIKKHOCEQQG-UHFFFAOYSA-N 0 3 406.530 3.029 50 0 HGAAHN Cc1cccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)c1 ZINC000023382124 558555502 /nfs/dbraw/zinc/55/55/02/558555502.db2.gz SNZBZXDODVTAOT-FXAWDEMLSA-N 0 3 404.470 3.440 50 0 HGAAHN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)NCCN(C)C ZINC000013945783 558606969 /nfs/dbraw/zinc/60/69/69/558606969.db2.gz OKWUGBOYCWINFD-QHCPKHFHSA-N 0 3 404.514 3.089 50 0 HGAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014184206 558629616 /nfs/dbraw/zinc/62/96/16/558629616.db2.gz WGDVCZQOANVJFO-QFIPXVFZSA-N 0 3 409.505 3.069 50 0 HGAAHN CC(C)[C@H](CNC(=O)COc1ccc2c(c1)CCC(=O)N2)N1CCc2ccccc2C1 ZINC000025919244 558652340 /nfs/dbraw/zinc/65/23/40/558652340.db2.gz XIQBCAATYUFTMC-QHCPKHFHSA-N 0 3 421.541 3.149 50 0 HGAAHN Cn1cc(CN2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3C)c2ccccc21 ZINC000014536473 558658474 /nfs/dbraw/zinc/65/84/74/558658474.db2.gz WBZMVIFAIWVUHG-UHFFFAOYSA-N 0 3 417.513 3.002 50 0 HGAAHN O=C(Nc1ccccc1[O-])C1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000027553821 558674811 /nfs/dbraw/zinc/67/48/11/558674811.db2.gz PXQCMQMGTKVDQS-UHFFFAOYSA-N 0 3 421.497 3.119 50 0 HGAAHN O=C(CC[C@]1(Cc2ccco2)CCC(=O)N1)NC1CCN(Cc2ccccc2)CC1 ZINC000014986987 558693086 /nfs/dbraw/zinc/69/30/86/558693086.db2.gz MDBZSTXKRGJWMB-XMMPIXPASA-N 0 3 409.530 3.032 50 0 HGAAHN Cc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)cn1 ZINC000015073246 558714164 /nfs/dbraw/zinc/71/41/64/558714164.db2.gz NVBQNHPPQBNHHE-FQEVSTJZSA-N 0 3 412.553 3.445 50 0 HGAAHN Cc1n[nH]c(C)c1CNC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 ZINC000015075333 558715900 /nfs/dbraw/zinc/71/59/00/558715900.db2.gz PFLYKNJETZJSQZ-UHFFFAOYSA-N 0 3 402.542 3.355 50 0 HGAAHN COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(N3CCCC3)nc(C)n2)CC1 ZINC000033318266 558766404 /nfs/dbraw/zinc/76/64/04/558766404.db2.gz FVEPAIGZKDTWEP-UHFFFAOYSA-N 0 3 415.925 3.010 50 0 HGAAHN Cc1ccnc(N2CCC(C(=O)NCCN3CCC(Cc4ccccc4)CC3)CC2)n1 ZINC000035454462 558792153 /nfs/dbraw/zinc/79/21/53/558792153.db2.gz ISUBJPMXUJSZLZ-UHFFFAOYSA-N 0 3 421.589 3.072 50 0 HGAAHN COc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000018117964 558831502 /nfs/dbraw/zinc/83/15/02/558831502.db2.gz KGSNKOSIEYXJTF-MRXNPFEDSA-N 0 3 423.296 3.475 50 0 HGAAHN CCCCOC(=O)c1ccc(N2C(=O)C[C@H](NCCc3ccc(OC)cc3)C2=O)cc1 ZINC000018250463 558834730 /nfs/dbraw/zinc/83/47/30/558834730.db2.gz LICUBWZNKBKNNS-NRFANRHFSA-N 0 3 424.497 3.116 50 0 biogenic HGAAHN Cc1ccccc1N1CCN([C@H]2CCCN(Cc3ccccc3OCCO)C2)CC1 ZINC000019225640 558852525 /nfs/dbraw/zinc/85/25/25/558852525.db2.gz OACFHPBAJZERBO-QHCPKHFHSA-N 0 3 409.574 3.153 50 0 HGAAHN COC(=O)c1ccc(CN2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)cc1 ZINC000019229304 558853488 /nfs/dbraw/zinc/85/34/88/558853488.db2.gz VKPJUOMFHQUOIV-JOCHJYFZSA-N 0 3 423.557 3.268 50 0 HGAAHN CN(CCCNC(=O)C1CCN(c2nc3ccccc3[nH]2)CC1)Cc1ccccc1 ZINC000033071000 558866198 /nfs/dbraw/zinc/86/61/98/558866198.db2.gz NTCLUZFYUKBKBT-UHFFFAOYSA-N 0 3 405.546 3.418 50 0 HGAAHN CCCN(CCN(C)C)C(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC ZINC000058049431 558896681 /nfs/dbraw/zinc/89/66/81/558896681.db2.gz VYAPZBOOLASTRC-UHFFFAOYSA-N 0 3 413.540 3.215 50 0 HGAAHN Cc1ccc(NC(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)cc1-n1cnnn1 ZINC000058134106 558900638 /nfs/dbraw/zinc/90/06/38/558900638.db2.gz DCCIOTALCKLVBY-JOCHJYFZSA-N 0 3 419.533 3.175 50 0 HGAAHN CCN1CCN(CCCNC(=O)c2ccc(N3CCc4ccccc4C3)cc2)CC1 ZINC000058218448 558912982 /nfs/dbraw/zinc/91/29/82/558912982.db2.gz LYCDGKCCVFNSNZ-UHFFFAOYSA-N 0 3 406.574 3.007 50 0 HGAAHN CN1CCN(CCCNCc2csc(-c3ncccn3)n2)[C@H](c2ccccc2)C1 ZINC000058298877 558917550 /nfs/dbraw/zinc/91/75/50/558917550.db2.gz LBIUZDZNVAJWBL-FQEVSTJZSA-N 0 3 408.575 3.069 50 0 HGAAHN NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)COc3ccccc3Cl)cc2)C1 ZINC000058326805 558919810 /nfs/dbraw/zinc/91/98/10/558919810.db2.gz HOKAXCTUVWSATM-MRXNPFEDSA-N 0 3 401.894 3.055 50 0 HGAAHN C[C@H](CNC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)N(C)c1ccccc1 ZINC000058342770 558920517 /nfs/dbraw/zinc/92/05/17/558920517.db2.gz XNERCRGNSQIRJA-GOSISDBHSA-N 0 3 423.561 3.030 50 0 HGAAHN O=C(NCCCN1CCc2ccccc2C1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000058420989 558925822 /nfs/dbraw/zinc/92/58/22/558925822.db2.gz AJCXIVMPVNOVMF-IBGZPJMESA-N 0 3 410.537 3.400 50 0 HGAAHN Cn1ncc2c1ncnc2NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000096524736 558964285 /nfs/dbraw/zinc/96/42/85/558964285.db2.gz JCYHQRSZXJVJAO-UHFFFAOYSA-N 0 3 413.529 3.298 50 0 HGAAHN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000022456923 558995202 /nfs/dbraw/zinc/99/52/02/558995202.db2.gz WRMKBSBJQCLVBI-VTQYNGMESA-N 0 3 424.585 3.089 50 0 biogenic HGAAHN CCn1c2cc(C)c(C)cc2nc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1=O ZINC000033269591 559032417 /nfs/dbraw/zinc/03/24/17/559032417.db2.gz GXVPLXDREUDUIW-UHFFFAOYSA-N 0 3 418.541 3.428 50 0 HGAAHN Cc1nccn1CCNC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000011663724 559134242 /nfs/dbraw/zinc/13/42/42/559134242.db2.gz MHUQKNFPDXBWJR-UHFFFAOYSA-N 0 3 419.529 3.060 50 0 HGAAHN CCn1c(=O)cc(SCC(=O)NCCN(C)Cc2ccccc2)c2ccccc21 ZINC000004936723 559211861 /nfs/dbraw/zinc/21/18/61/559211861.db2.gz QMKMRTFVVRXRMG-UHFFFAOYSA-N 0 3 409.555 3.362 50 0 HGAAHN Cc1oc2c(c1C(=O)NCCN(Cc1ccco1)C1CCCC1)C1=NCCN1C=N2 ZINC000100695982 559257089 /nfs/dbraw/zinc/25/70/89/559257089.db2.gz YRAAXLJVJFVKTK-UHFFFAOYSA-N 0 3 409.490 3.091 50 0 HGAAHN Cc1oc2c(c1C(=O)NCc1ccc(CN3CCCCCC3)o1)C1=NCCN1C=N2 ZINC000100695997 559257147 /nfs/dbraw/zinc/25/71/47/559257147.db2.gz WKIAFVNKUXRUJV-UHFFFAOYSA-N 0 3 409.490 3.223 50 0 HGAAHN Cc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)c(C)c1 ZINC000005254396 560551975 /nfs/dbraw/zinc/55/19/75/560551975.db2.gz XAOBLNCBWPSYRW-UHFFFAOYSA-N 0 3 414.575 3.031 50 0 HGAAHN CCN(CC)CCn1c(=O)nc(SCC(=O)Nc2ccccc2)c2c1CCCC2 ZINC000005254353 560552028 /nfs/dbraw/zinc/55/20/28/560552028.db2.gz SKEUHQHOQZIYSH-UHFFFAOYSA-N 0 3 414.575 3.195 50 0 HGAAHN COc1ccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000005345587 560569909 /nfs/dbraw/zinc/56/99/09/560569909.db2.gz WNRFZXMNQLNTBW-OAQYLSRUSA-N 0 3 422.481 3.307 50 0 HGAAHN COc1ccc(-c2noc3c(O)n(-c4cccc5ccccc54)c(O)c23)cc1OC ZINC000101264255 560789450 /nfs/dbraw/zinc/78/94/50/560789450.db2.gz BAEWPVAYDDDNNG-CTNGQTDRSA-N 0 3 402.406 3.150 50 0 HGAAHN CC(=O)N1c2ccccc2C(=O)C1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000101421403 560794905 /nfs/dbraw/zinc/79/49/05/560794905.db2.gz MFHUNMZILYKAPN-HXUWFJFHSA-N 0 3 403.404 3.403 50 0 HGAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)c1 ZINC000102707551 560820775 /nfs/dbraw/zinc/82/07/75/560820775.db2.gz BQIMYQISQAQYDN-FDFHNCONSA-N 0 3 416.433 3.452 50 0 HGAAHN COC(=O)CC[C@@H](C)N1CCC(Oc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000012049783 560887677 /nfs/dbraw/zinc/88/76/77/560887677.db2.gz WFCXSQVIBRUZLK-GOSISDBHSA-N 0 3 402.535 3.498 50 0 HGAAHN CN(C)C[C@H](CNC(=O)Nc1ccc(N2CCCCC2)nc1)[C@@H](O)c1ccccc1 ZINC000048278427 568435770 /nfs/dbraw/zinc/43/57/70/568435770.db2.gz CMJOFTRJPPJZHU-UGKGYDQZSA-N 0 3 411.550 3.105 50 0 HGAAHN CC(=O)N(Cc1ccco1)C1(C(=O)Nc2ccc3c(ccn3C)c2)CCN(C)CC1 ZINC000005807894 568455488 /nfs/dbraw/zinc/45/54/88/568455488.db2.gz ZGEBUPOJVHANEG-UHFFFAOYSA-N 0 3 408.502 3.223 50 0 HGAAHN COc1ccccc1-c1nn(Cc2ccccc2)cc1CN1CCC[C@H](C(N)=O)C1 ZINC000095430324 568608924 /nfs/dbraw/zinc/60/89/24/568608924.db2.gz GJEDYGZJJYVTSN-IBGZPJMESA-N 0 3 404.514 3.304 50 0 HGAAHN C[C@H](Oc1cccc(F)c1)C(=O)NCCc1ccc(OCCN2CCCC2)cc1 ZINC000095460108 568620033 /nfs/dbraw/zinc/62/00/33/568620033.db2.gz ZUWHBNVNZOKTMX-SFHVURJKSA-N 0 3 400.494 3.427 50 0 HGAAHN Cc1cccc(-c2noc(CS(=O)(=O)C(C)C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)n2)c1 ZINC000229364175 568714052 /nfs/dbraw/zinc/71/40/52/568714052.db2.gz LPJNKQHHPWMHDS-KYHPRHEASA-N 0 3 419.547 3.289 50 0 HGAAHN C[C@@H]1CN(Cc2ccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000229550531 568714594 /nfs/dbraw/zinc/71/45/94/568714594.db2.gz YFRVCXMULMTCAR-REHUZNOOSA-N 0 3 407.558 3.300 50 0 HGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4C)[C@H](c4cccnc4)[C@@H]3C2=O)cc1 ZINC000229983433 568716300 /nfs/dbraw/zinc/71/63/00/568716300.db2.gz PWQSEFAZOVLDGP-BHDDXSALSA-N 0 3 415.449 3.450 50 0 HGAAHN CCOc1ccc(CN(Cc2nc(C(=O)NCCN(C)C)co2)[C@H](C)C(C)C)cc1 ZINC000096280017 568717761 /nfs/dbraw/zinc/71/77/61/568717761.db2.gz GVEXEDMRJYINQV-GOSISDBHSA-N 0 3 416.566 3.411 50 0 HGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccnc4)[C@H]3C2=O)cc1 ZINC000238882049 568727204 /nfs/dbraw/zinc/72/72/04/568727204.db2.gz CAKLGVMOEACNNO-NJDAHSKKSA-N 0 3 401.422 3.141 50 0 HGAAHN Cc1cc(S(=O)(=O)[N-]CC2CC[NH+](C3CCOCC3)CC2)c(Cl)cc1Cl ZINC000225564863 568774112 /nfs/dbraw/zinc/77/41/12/568774112.db2.gz KFISWRIFSDBNSV-UHFFFAOYSA-N 0 3 421.390 3.471 50 0 HGAAHN CCC(CC)[C@H](CNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O)N1CCCC1 ZINC000078413816 568884423 /nfs/dbraw/zinc/88/44/23/568884423.db2.gz WHLDQVWCFXPMSJ-ZHRRBRCNSA-N 0 3 421.607 3.163 50 0 HGAAHN CCc1ccc([C@@H](CNC(=O)CNC(=O)Cc2cccc3ccccc32)N(C)C)cc1 ZINC000012753410 568941904 /nfs/dbraw/zinc/94/19/04/568941904.db2.gz KXGZIQNCVYBYCS-XMMPIXPASA-N 0 3 417.553 3.480 50 0 HGAAHN CCCN1CCN(c2nnc(-n3cccc3CNCc3ccc(C)cc3)s2)CC1 ZINC000015728195 568979258 /nfs/dbraw/zinc/97/92/58/568979258.db2.gz BDZSPQWNWJTYCH-UHFFFAOYSA-N 0 3 410.591 3.459 50 0 HGAAHN CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCC1CCN(Cc2ccc(C)cc2)CC1 ZINC000015773270 568998609 /nfs/dbraw/zinc/99/86/09/568998609.db2.gz NWNPCUMTJNIHBG-XMMPIXPASA-N 0 3 405.542 3.301 50 0 HGAAHN O=C(CCn1ncc(=O)c2ccccc21)NCc1ccccc1CN1CCCCC1 ZINC000012905107 569020868 /nfs/dbraw/zinc/02/08/68/569020868.db2.gz WEQSPUUTKUNULT-UHFFFAOYSA-N 0 3 404.514 3.089 50 0 HGAAHN Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCCN3CCCCC3)C2)nn1 ZINC000035398003 569035013 /nfs/dbraw/zinc/03/50/13/569035013.db2.gz SWYRECDFYGAFTD-HXUWFJFHSA-N 0 3 407.562 3.271 50 0 HGAAHN Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)NCCN4CCCCC4)C3)nn2)c1 ZINC000035398219 569035087 /nfs/dbraw/zinc/03/50/87/569035087.db2.gz VEGWSYTYUQBMON-OAQYLSRUSA-N 0 3 407.562 3.271 50 0 HGAAHN CNC(=O)c1ccc(CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1 ZINC000012984802 569047731 /nfs/dbraw/zinc/04/77/31/569047731.db2.gz SBYQOHUAGNIKES-IBGZPJMESA-N 0 3 414.575 3.380 50 0 HGAAHN CCS(=O)(=O)c1ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000462257829 569052869 /nfs/dbraw/zinc/05/28/69/569052869.db2.gz JPYYPXAXVLDHOX-JXFKEZNVSA-N 0 3 401.532 3.122 50 0 HGAAHN CCc1ccc(CN2CCc3c(C(=O)N4CCN5CCC[C@@H]5C4)csc3C2)nc1 ZINC000426428212 569072986 /nfs/dbraw/zinc/07/29/86/569072986.db2.gz CVIAXYSFQGJOEG-LJQANCHMSA-N 0 3 410.587 3.184 50 0 HGAAHN O=C(CN1CC[C@@]2(C1)CCCN(Cc1ccccc1F)C2=O)N1CCCCCC1 ZINC000426707422 569073999 /nfs/dbraw/zinc/07/39/99/569073999.db2.gz LNQRQQDQLYGXNA-HSZRJFAPSA-N 0 3 401.526 3.043 50 0 HGAAHN CC(C)S(=O)(=O)Oc1ccc(CN(CCN(C)C)C(=O)c2cccc(F)c2)cc1 ZINC000006765940 569114482 /nfs/dbraw/zinc/11/44/82/569114482.db2.gz MPEUQXWTUBRQOI-UHFFFAOYSA-N 0 3 422.522 3.147 50 0 HGAAHN O=C(NCCN1CCCCCC1)C1CCN(c2ncc(-c3ccccc3)cn2)CC1 ZINC000065023948 569155264 /nfs/dbraw/zinc/15/52/64/569155264.db2.gz GYISADWIFJTWTI-UHFFFAOYSA-N 0 3 407.562 3.352 50 0 HGAAHN COc1ccc([C@H](CNC(=O)C[C@@H](NC(C)=O)c2ccccc2)N2CCCC2)cc1 ZINC000006865331 569158881 /nfs/dbraw/zinc/15/88/81/569158881.db2.gz FPJJLJLUEXHXEQ-PKTZIBPZSA-N 0 3 409.530 3.216 50 0 HGAAHN Cc1ccc(-c2nnc(N3CCC(C(=O)NCCN4CCCC[C@H]4C)CC3)o2)cc1 ZINC000065229624 569200529 /nfs/dbraw/zinc/20/05/29/569200529.db2.gz RVTDJHZMJBGEOD-GOSISDBHSA-N 0 3 411.550 3.252 50 0 HGAAHN Cc1ccc(-c2cn(CC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)o2)cc1 ZINC000065255548 569207849 /nfs/dbraw/zinc/20/78/49/569207849.db2.gz BERUZLFLPVIHDF-UHFFFAOYSA-N 0 3 405.498 3.198 50 0 HGAAHN CCOc1ccc(CNC(=O)c2nc(C)n(C3CCN(C)CC3)c2C)cc1OC ZINC000065257275 569208659 /nfs/dbraw/zinc/20/86/59/569208659.db2.gz BKBJRHHUXFJNSO-UHFFFAOYSA-N 0 3 400.523 3.104 50 0 HGAAHN CCN(CCNC(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c21)Cc1ccccc1 ZINC000065329764 569224971 /nfs/dbraw/zinc/22/49/71/569224971.db2.gz YLWHONUIGNFSNZ-UHFFFAOYSA-N 0 3 410.518 3.206 50 0 HGAAHN CO[C@H](C)CC(=O)OC1CCN(CCOc2cccc(Br)c2)CC1 ZINC000170609428 569245067 /nfs/dbraw/zinc/24/50/67/569245067.db2.gz VEHMTRIOULAXFN-CQSZACIVSA-N 0 3 400.313 3.261 50 0 HGAAHN C[C@H](SC1=N[C@@H](c2c[nH]c3ccccc32)NC(=N)N1)C(=O)N1CCc2ccccc21 ZINC000013579103 569256359 /nfs/dbraw/zinc/25/63/59/569256359.db2.gz MNGDBVFBOPWMRL-DJJJIMSYSA-N 0 3 418.526 3.151 50 0 HGAAHN CN(CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21)Cc1ccccc1 ZINC000037416025 569298241 /nfs/dbraw/zinc/29/82/41/569298241.db2.gz LMSMFUWRRRGJAP-QFIPXVFZSA-N 0 3 406.530 3.250 50 0 HGAAHN CN(C)CCn1ncc(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)c1-c1ccccc1 ZINC000253430837 569368895 /nfs/dbraw/zinc/36/88/95/569368895.db2.gz GABYWKLUUDKTCU-QFIPXVFZSA-N 0 3 420.513 3.031 50 0 HGAAHN C/C(=C\c1ccccc1)CN1CCOc2ccc(CN3CCN(CCO)CC3)cc2C1 ZINC000019739758 569429423 /nfs/dbraw/zinc/42/94/23/569429423.db2.gz YRSVSMUHSKWTDK-OQKWZONESA-N 0 3 421.585 3.094 50 0 HGAAHN CN1CCN(C[C@H](O)Cn2c3ccccc3c3cc(Br)ccc32)CC1 ZINC000019891730 569433223 /nfs/dbraw/zinc/43/32/23/569433223.db2.gz HENAKKLFJXLKOJ-INIZCTEOSA-N 0 3 402.336 3.165 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1sccc1NC(=O)c1cnccn1 ZINC000067335679 571079766 /nfs/dbraw/zinc/07/97/66/571079766.db2.gz SJKRDHSTRRSHIB-UHFFFAOYSA-N 0 3 421.526 3.185 50 0 HGAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000008748401 571111509 /nfs/dbraw/zinc/11/15/09/571111509.db2.gz DUTGNIFFJWTTDD-JOCHJYFZSA-N 0 3 411.509 3.484 50 0 HGAAHN CN(C)C[C@@H](CNC(=O)Nc1cccc(N2CCCCC2=O)c1)[C@H](O)c1ccccc1 ZINC000040104954 571165659 /nfs/dbraw/zinc/16/56/59/571165659.db2.gz GWZYOBTUZIUZIP-AUSIDOKSSA-N 0 3 424.545 3.236 50 0 HGAAHN CC(C)[C@@H](CNC(=O)Cc1cc2ccccc2[nH]c1=O)N1CCc2ccccc2C1 ZINC000040108713 571167988 /nfs/dbraw/zinc/16/79/88/571167988.db2.gz WEJQGGKTVFFGTQ-HSZRJFAPSA-N 0 3 403.526 3.270 50 0 HGAAHN CCN1CCN(Cc2ccc(CNC(=O)c3ccc(Br)o3)cc2)CC1 ZINC000040115679 571173456 /nfs/dbraw/zinc/17/34/56/571173456.db2.gz ZPDVLHWLJAJNAJ-UHFFFAOYSA-N 0 3 406.324 3.110 50 0 HGAAHN O=C(NC1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1 ZINC000040150368 571198797 /nfs/dbraw/zinc/19/87/97/571198797.db2.gz XGDOUXAGZDACTA-UHFFFAOYSA-N 0 3 405.542 3.320 50 0 HGAAHN CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCCN3CCCC[C@H]3C)c2)C1 ZINC000245238067 571219593 /nfs/dbraw/zinc/21/95/93/571219593.db2.gz PEOVBAMEGAMIDK-WIYYLYMNSA-N 0 3 400.567 3.200 50 0 HGAAHN Cc1cccc(-n2c(CC(=O)NCCN3CCCC[C@H]3C)c3[nH]cccc-3c2=O)c1 ZINC000245279454 571222266 /nfs/dbraw/zinc/22/22/66/571222266.db2.gz FQVWUWPKZYEKMO-WIYYLYMNSA-N 0 3 406.530 3.472 50 0 HGAAHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCCn2nnc(-c3ccccc3)n2)C1 ZINC000069929038 571250040 /nfs/dbraw/zinc/25/00/40/571250040.db2.gz QFUNEIXGZALZOI-NQIIRXRSSA-N 0 3 404.518 3.072 50 0 HGAAHN Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCCN(C)Cc1ccccc1)CCO2 ZINC000006798169 132317147 /nfs/dbraw/zinc/31/71/47/132317147.db2.gz IVABEDKSPPNMPM-UHFFFAOYSA-N 0 3 409.530 3.139 50 0 HGAAHN O=C(CCCN1C(=O)CSc2ncccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000006802678 132317537 /nfs/dbraw/zinc/31/75/37/132317537.db2.gz QYKMXLVOQOYFRQ-UHFFFAOYSA-N 0 3 424.570 3.081 50 0 HGAAHN CC[C@H](CNC(=O)COc1ccc(N2CCCC2=O)cc1)N1CCc2ccccc2C1 ZINC000032446978 522174660 /nfs/dbraw/zinc/17/46/60/522174660.db2.gz RYFKJFPKRQPHLX-OAQYLSRUSA-N 0 3 421.541 3.145 50 0 HGAAHN CN(CCCNC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000032765973 522759781 /nfs/dbraw/zinc/75/97/81/522759781.db2.gz DCROPYHRIPZRNY-IBGZPJMESA-N 0 3 402.926 3.078 50 0 HGAAHN O=C(NCCN1CCCC1)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000040355920 526305062 /nfs/dbraw/zinc/30/50/62/526305062.db2.gz BFKIECNPVRUIQA-UHFFFAOYSA-N 0 3 412.437 3.240 50 0 HGAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032873758 526923432 /nfs/dbraw/zinc/92/34/32/526923432.db2.gz SQLQDFGOPBPPBE-RBBKRZOGSA-N 0 3 409.505 3.069 50 0 HGAAHN CN(C)Cc1ccc([C@@H]2CC[C@@H](c3ccc(CN(C)C)[nH]3)N2C(=O)C(F)(F)F)[nH]1 ZINC000002519582 557354244 /nfs/dbraw/zinc/35/42/44/557354244.db2.gz VTXHMPQMXJZLNG-ROUUACIJSA-N 0 3 411.472 3.433 50 0 HGAAHN CCOc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCC(=O)NC(C)(C)C ZINC000008254435 557778476 /nfs/dbraw/zinc/77/84/76/557778476.db2.gz JZMSRWCKENKWCT-UHFFFAOYSA-N 0 3 414.502 3.397 50 0 HGAAHN O=C(CCC1CCN(Cc2cc(F)ccc2-n2cccn2)CC1)NC[C@H]1CCCO1 ZINC000011662233 558265875 /nfs/dbraw/zinc/26/58/75/558265875.db2.gz RJRUVRPUNSSVMX-OAQYLSRUSA-N 0 3 414.525 3.299 50 0 HGAAHN O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN(Cc2cccc3c2OCO3)C1 ZINC000011763040 558273653 /nfs/dbraw/zinc/27/36/53/558273653.db2.gz ZYKDWGBQVYZCJV-GOSISDBHSA-N 0 3 404.470 3.452 50 0 HGAAHN O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000011812747 558277774 /nfs/dbraw/zinc/27/77/74/558277774.db2.gz FBRJCAPTTZBUNR-JOCHJYFZSA-N 0 3 405.542 3.246 50 0 HGAAHN Cc1nnc(SCC(=O)N(C)[C@H]2CCCN(CCCc3ccccc3)C2)s1 ZINC000011817107 558280453 /nfs/dbraw/zinc/28/04/53/558280453.db2.gz PLMPLYWZHZISJP-SFHVURJKSA-N 0 3 404.605 3.494 50 0 HGAAHN CO[C@H](C(=O)Nc1ccnn1C1CCN(Cc2cnc(C)[nH]2)CC1)c1ccccc1 ZINC000011820181 558283346 /nfs/dbraw/zinc/28/33/46/558283346.db2.gz HKGOJVXISOQGND-NRFANRHFSA-N 0 3 408.506 3.078 50 0 HGAAHN COc1ccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000019817521 558287873 /nfs/dbraw/zinc/28/78/73/558287873.db2.gz RDKDDEUEQQYNOC-PXNSSMCTSA-N 0 3 420.469 3.140 50 0 HGAAHN Cc1cc(=O)c(C(=O)N2CCC[C@H](C)C2)c(CCc2ccccc2)n1CCN(C)C ZINC000011881295 558295096 /nfs/dbraw/zinc/29/50/96/558295096.db2.gz NTUQTLPJWBJFSC-IBGZPJMESA-N 0 3 409.574 3.376 50 0 HGAAHN CC1(C)[C@@H]2C[C@H]1C(CN1CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC1)=CC2 ZINC000011974836 558305592 /nfs/dbraw/zinc/30/55/92/558305592.db2.gz MCTKULCGGMFTRV-ICSRJNTNSA-N 0 3 423.536 3.198 50 0 HGAAHN CCN1CCC[C@@H]1CNC(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C(C)C ZINC000012021366 558309410 /nfs/dbraw/zinc/30/94/10/558309410.db2.gz JMKIPCJLHUDXNZ-MRXNPFEDSA-N 0 3 408.506 3.260 50 0 HGAAHN Cc1ccc(CN2CCC3(C[C@@H]3C(=O)NCCc3nc4ccccc4n3C)CC2)o1 ZINC000012241485 558360422 /nfs/dbraw/zinc/36/04/22/558360422.db2.gz QLGUUMMOBRBBTR-LJQANCHMSA-N 0 3 406.530 3.436 50 0 HGAAHN O=C(CC[C@@H]1CCCN(Cc2cccnc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000020455183 558368980 /nfs/dbraw/zinc/36/89/80/558368980.db2.gz VVISKCLLOHHJGG-QHCPKHFHSA-N 0 3 406.574 3.418 50 0 HGAAHN CN1CCC(N(Cc2ccncc2)C(=O)c2cn(Cc3ccccc3Cl)nn2)CC1 ZINC000012303172 558372814 /nfs/dbraw/zinc/37/28/14/558372814.db2.gz BBHTUDXLPVGXQX-UHFFFAOYSA-N 0 3 424.936 3.111 50 0 HGAAHN Cn1cc(CN2CCC([C@@H](O)c3cccnc3)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012308138 558376450 /nfs/dbraw/zinc/37/64/50/558376450.db2.gz ZHGQKQQNXBEIMQ-XMMPIXPASA-N 0 3 420.513 3.199 50 0 HGAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)Cc4cccnc4)C3)C2)c1OC ZINC000012434558 558408310 /nfs/dbraw/zinc/40/83/10/558408310.db2.gz VTSLKVUVEHDOGS-DEOSSOPVSA-N 0 3 409.530 3.156 50 0 HGAAHN COCc1ccc(C(=O)N2CCC[C@@H](N(C)CCc3ccc(OC)c(OC)c3)C2)o1 ZINC000012480083 558423501 /nfs/dbraw/zinc/42/35/01/558423501.db2.gz RMBWUOXJLHEIHR-GOSISDBHSA-N 0 3 416.518 3.222 50 0 HGAAHN CC(=O)c1ccc(OCC(=O)N(C)[C@H]2CCCN(C3Cc4ccccc4C3)C2)cc1 ZINC000012587290 558434413 /nfs/dbraw/zinc/43/44/13/558434413.db2.gz MQEGRJPBVVGYOE-QFIPXVFZSA-N 0 3 406.526 3.358 50 0 HGAAHN CC(C)(C)C(=O)Nc1ccnn1C1CCN(Cc2ccccc2OCCO)CC1 ZINC000012595490 558437377 /nfs/dbraw/zinc/43/73/77/558437377.db2.gz FFACSAHFPIYQKD-UHFFFAOYSA-N 0 3 400.523 3.076 50 0 HGAAHN Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N(C)C)cc1 ZINC000021807545 558450767 /nfs/dbraw/zinc/45/07/67/558450767.db2.gz RBZJLJGCAVNTJA-LJQANCHMSA-N 0 3 407.470 3.454 50 0 HGAAHN CN(C(=O)CC[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)C1CCN(C)CC1 ZINC000012710777 558452261 /nfs/dbraw/zinc/45/22/61/558452261.db2.gz RXMDRLOBUCRCDQ-HXUWFJFHSA-N 0 3 415.578 3.027 50 0 HGAAHN COc1cccc(-c2nn(Cc3ccccc3)cc2CNCCN2CCOCC2)c1 ZINC000022025344 558458757 /nfs/dbraw/zinc/45/87/57/558458757.db2.gz JBGFFBNVIJIOGH-UHFFFAOYSA-N 0 3 406.530 3.029 50 0 HGAAHN CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CNCCN1CCCCC1 ZINC000022918403 558522137 /nfs/dbraw/zinc/52/21/37/558522137.db2.gz MISWEQSMSSCYJI-UHFFFAOYSA-N 0 3 405.546 3.182 50 0 HGAAHN COc1cc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)cc(OC)c1OC ZINC000022919699 558522526 /nfs/dbraw/zinc/52/25/26/558522526.db2.gz FJMWVTHKRMVVLX-NRFANRHFSA-N 0 3 414.546 3.090 50 0 HGAAHN C[C@H](NCC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000022930458 558524241 /nfs/dbraw/zinc/52/42/41/558524241.db2.gz QZHALJMTSGDTLW-INIZCTEOSA-N 0 3 411.493 3.240 50 0 HGAAHN COc1ccc(CN2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)cc1O ZINC000023374289 558554117 /nfs/dbraw/zinc/55/41/17/558554117.db2.gz VIPLJIXTOPZJKT-FQEVSTJZSA-N 0 3 411.546 3.196 50 0 HGAAHN Cc1cccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)c1 ZINC000023382127 558555407 /nfs/dbraw/zinc/55/54/07/558555407.db2.gz SNZBZXDODVTAOT-YLJYHZDGSA-N 0 3 404.470 3.440 50 0 HGAAHN CCCn1nc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c2ccccc2c1=O ZINC000023554679 558562201 /nfs/dbraw/zinc/56/22/01/558562201.db2.gz VJQBEARVPCWGRE-SFHVURJKSA-N 0 3 410.543 3.435 50 0 HGAAHN Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H](NCc1ccc(F)cc1)C2 ZINC000014535037 558657848 /nfs/dbraw/zinc/65/78/48/558657848.db2.gz OGNPFZKYVIDXEQ-NRFANRHFSA-N 0 3 418.516 3.405 50 0 HGAAHN CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCc1ccc3c(c1)OCO3)C2 ZINC000014732928 558665994 /nfs/dbraw/zinc/66/59/94/558665994.db2.gz XDNJEJNGNXRKEN-GOSISDBHSA-N 0 3 424.545 3.295 50 0 HGAAHN Cc1ccc(CNC(=O)C2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)cc1F ZINC000072272965 558692857 /nfs/dbraw/zinc/69/28/57/558692857.db2.gz RHWJPGYKDLYXRR-UHFFFAOYSA-N 0 3 411.521 3.364 50 0 HGAAHN O[C@@H]1CN(Cc2c[nH]c3ccccc23)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000015071302 558712977 /nfs/dbraw/zinc/71/29/77/558712977.db2.gz QJBRHXQVKBBJFK-DNQXCXABSA-N 0 3 408.521 3.064 50 0 HGAAHN COc1cc(C(=O)N2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)ccc1C ZINC000015079199 558718080 /nfs/dbraw/zinc/71/80/80/558718080.db2.gz IVDXKHICLVPKJY-LJQANCHMSA-N 0 3 415.578 3.189 50 0 HGAAHN COc1cc(C[C@@H]2CC(CNCCc3cccs3)=NO2)c(OC)c2c1OCO2 ZINC000015085834 558720409 /nfs/dbraw/zinc/72/04/09/558720409.db2.gz OSCOFMREDIAOKV-OAHLLOKOSA-N 0 3 404.488 3.014 50 0 HGAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Cn1nnc(-c2ccccc2Cl)n1 ZINC000015276319 558730056 /nfs/dbraw/zinc/73/00/56/558730056.db2.gz SSDCVOWMGCLSRS-FXAWDEMLSA-N 0 3 422.920 3.136 50 0 HGAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)n1 ZINC000033326789 558766915 /nfs/dbraw/zinc/76/69/15/558766915.db2.gz QWRBRYNXAIILIP-UHFFFAOYSA-N 0 3 402.449 3.018 50 0 HGAAHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(OC)cc2OC)C1 ZINC000046030433 558839356 /nfs/dbraw/zinc/83/93/56/558839356.db2.gz VOVOVZUFWRNSMP-MRXNPFEDSA-N 0 3 400.523 3.174 50 0 HGAAHN Cc1nc(NCCNC(=O)Nc2ccc3ccccc3c2)cc(N2CCOCC2)n1 ZINC000049422545 558849032 /nfs/dbraw/zinc/84/90/32/558849032.db2.gz DCVJBTHNQUVWKX-UHFFFAOYSA-N 0 3 406.490 3.008 50 0 HGAAHN COc1cccc(CN(Cc2nc(C(=O)NCCN(C)C)co2)[C@H](C)C(C)C)c1 ZINC000036065591 558854008 /nfs/dbraw/zinc/85/40/08/558854008.db2.gz SEIAXYXEMQCUIW-QGZVFWFLSA-N 0 3 402.539 3.021 50 0 HGAAHN Cc1ccc(NC(=O)c2nnc(CCC(=O)NCCN3CCCCCC3)s2)cc1 ZINC000033062066 558955859 /nfs/dbraw/zinc/95/58/59/558955859.db2.gz GPPQSXMAVBEKJL-UHFFFAOYSA-N 0 3 415.563 3.024 50 0 HGAAHN O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)NCCN1CCCCC1 ZINC000021915728 558971947 /nfs/dbraw/zinc/97/19/47/558971947.db2.gz AQUFTYABOULNKI-UHFFFAOYSA-N 0 3 406.486 3.385 50 0 HGAAHN CN1CCN(c2ccc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)CC1 ZINC000067622121 558989887 /nfs/dbraw/zinc/98/98/87/558989887.db2.gz HTCOFZDUIZTBKR-UHFFFAOYSA-N 0 3 410.537 3.428 50 0 HGAAHN O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCCN(Cc2cccc3nonc32)C1 ZINC000077351997 559001964 /nfs/dbraw/zinc/00/19/64/559001964.db2.gz QNHQWFLMPKTTDX-QGZVFWFLSA-N 0 3 402.458 3.464 50 0 HGAAHN O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCCN(Cc2cccc3nonc32)C1 ZINC000077351996 559002005 /nfs/dbraw/zinc/00/20/05/559002005.db2.gz QNHQWFLMPKTTDX-KRWDZBQOSA-N 0 3 402.458 3.464 50 0 HGAAHN COc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000023127546 559016088 /nfs/dbraw/zinc/01/60/88/559016088.db2.gz KNEROUDAYFLRJO-UHFFFAOYSA-N 0 3 421.950 3.377 50 0 HGAAHN Cc1nc2cc(OCc3nc(C(=O)N(C)C[C@H]4CCN(C)C4)co3)ccc2s1 ZINC000091416795 559071529 /nfs/dbraw/zinc/07/15/29/559071529.db2.gz UPPITVSSPAIALS-AWEZNQCLSA-N 0 3 400.504 3.195 50 0 HGAAHN Cc1nc(C)c(CN2CCC3(CCC(=O)N(CCCn4ccnc4)C3)CC2)s1 ZINC000091460918 559071704 /nfs/dbraw/zinc/07/17/04/559071704.db2.gz MHIMVMCHLOYCID-UHFFFAOYSA-N 0 3 401.580 3.251 50 0 HGAAHN Cn1c(=O)cc(SCC(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000005008189 559226889 /nfs/dbraw/zinc/22/68/89/559226889.db2.gz SYVDKNVCOOUHHE-UHFFFAOYSA-N 0 3 421.566 3.411 50 0 HGAAHN O=C(Nc1ccccc1OCCN1CCCCC1)[C@@H]1CCCN(c2ncccn2)C1 ZINC000409413828 559250778 /nfs/dbraw/zinc/25/07/78/559250778.db2.gz FBAUDGPCYMYVOX-LJQANCHMSA-N 0 3 409.534 3.196 50 0 HGAAHN Cc1cc(C)n(-c2nc3sc4c(c3c(NCCN(C)C)n2)CC(C)(C)OC4)n1 ZINC000005563145 560619008 /nfs/dbraw/zinc/61/90/08/560619008.db2.gz QELWKQFMKISWQR-UHFFFAOYSA-N 0 3 400.552 3.319 50 0 HGAAHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C1=O ZINC000102709901 560820994 /nfs/dbraw/zinc/82/09/94/560820994.db2.gz CAUKAGFZMJWBNQ-YPAWHYETSA-N 0 3 416.433 3.452 50 0 HGAAHN CN(C)CCN/C=C1\c2ccccc2C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000103004767 560836463 /nfs/dbraw/zinc/83/64/63/560836463.db2.gz FJIHEJGTUMRLHA-QGOAFFKASA-N 0 3 403.404 3.385 50 0 HGAAHN O=C(Nc1ccccc1OC(F)F)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000107357553 560896243 /nfs/dbraw/zinc/89/62/43/560896243.db2.gz RFSJONJVHKYTDY-SJORKVTESA-N 0 3 405.445 3.293 50 0 HGAAHN CN1CCCN(c2ccc(CNC(=O)Cc3csc(-c4ccccc4)n3)cn2)CC1 ZINC000048263886 568433777 /nfs/dbraw/zinc/43/37/77/568433777.db2.gz MQZAZYHMUATQOG-UHFFFAOYSA-N 0 3 421.570 3.206 50 0 HGAAHN COc1ccccc1N(CCC(N)=O)C(=O)CN1CCC[C@H]1CCc1ccccc1 ZINC000048362344 568441612 /nfs/dbraw/zinc/44/16/12/568441612.db2.gz BEENQSLUEJMGCT-FQEVSTJZSA-N 0 3 409.530 3.001 50 0 HGAAHN Cc1nc2c(c(=O)n1CC(=O)Nc1c(F)cccc1F)CN(Cc1ccccc1)CC2 ZINC000049400849 568447621 /nfs/dbraw/zinc/44/76/21/568447621.db2.gz BXGLMOMNAZBRCY-UHFFFAOYSA-N 0 3 424.451 3.027 50 0 HGAAHN CCCCc1ncc(CN2CCN(Cc3ccccc3OCC)[C@@H](CCO)C2)[nH]1 ZINC000216180629 568463547 /nfs/dbraw/zinc/46/35/47/568463547.db2.gz FVCXRNAFLUGWCE-NRFANRHFSA-N 0 3 400.567 3.220 50 0 HGAAHN C[C@H]1CCCCN1CCNC(=O)c1cccc(NC(=O)c2nnc(C3CC3)s2)c1 ZINC000033023054 568510459 /nfs/dbraw/zinc/51/04/59/568510459.db2.gz OAWNUHNYLWSKDH-AWEZNQCLSA-N 0 3 413.547 3.272 50 0 HGAAHN CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(CNC(=O)c2ccccn2)CC1 ZINC000095430241 568608793 /nfs/dbraw/zinc/60/87/93/568608793.db2.gz UUSVWBDCNJQAJG-UHFFFAOYSA-N 0 3 420.513 3.172 50 0 HGAAHN Cc1nc2cc(C)ccn2c1CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000095457013 568617882 /nfs/dbraw/zinc/61/78/82/568617882.db2.gz RLBCKEDDZGXSGE-HSZRJFAPSA-N 0 3 403.574 3.343 50 0 HGAAHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000225460018 568640015 /nfs/dbraw/zinc/64/00/15/568640015.db2.gz MCCRXIXJLQKVMB-PKOBYXMFSA-N 0 3 416.566 3.336 50 0 HGAAHN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000225500061 568643720 /nfs/dbraw/zinc/64/37/20/568643720.db2.gz IMRPHRBFTKBQKT-PKOBYXMFSA-N 0 3 419.953 3.086 50 0 HGAAHN CC(C)[C@H](NCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 ZINC000021584308 568720245 /nfs/dbraw/zinc/72/02/45/568720245.db2.gz VYPVGPUBAVECHM-IRLDBZIGSA-N 0 3 406.592 3.324 50 0 HGAAHN COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012438072 568723047 /nfs/dbraw/zinc/72/30/47/568723047.db2.gz FYFHGMWBQDVCQU-YVWKXTFCSA-N 0 3 421.902 3.245 50 0 HGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@H]3C2=O)cc1 ZINC000238950838 568727546 /nfs/dbraw/zinc/72/75/46/568727546.db2.gz ZWEYECKGSIUVIR-NJDAHSKKSA-N 0 3 401.422 3.141 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000021647514 568728266 /nfs/dbraw/zinc/72/82/66/568728266.db2.gz YPGSHAWDLYFCAO-UHFFFAOYSA-N 0 3 422.554 3.029 50 0 HGAAHN CO[C@](C)(C(=O)N1CCC[C@@H](c2n[nH]cc2CN2CCCC2)C1)c1ccccc1F ZINC000240423807 568730128 /nfs/dbraw/zinc/73/01/28/568730128.db2.gz FRBKMPGVLBGIBR-HXOBKFHXSA-N 0 3 414.525 3.412 50 0 HGAAHN Cc1ccc(-n2c(CC(=O)NCCN3CCCC[C@@H]3C)c3[nH]cccc-3c2=O)cc1 ZINC000096386976 568743763 /nfs/dbraw/zinc/74/37/63/568743763.db2.gz BPYJVMITHDWYSX-GHTZIAJQSA-N 0 3 406.530 3.472 50 0 HGAAHN CCc1nc(-c2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)c(C)s2)no1 ZINC000021883467 568758044 /nfs/dbraw/zinc/75/80/44/568758044.db2.gz PQOMYKGBLKWYOG-UHFFFAOYSA-N 0 3 424.592 3.308 50 0 HGAAHN Cn1ncc(I)c1C(=O)Nc1ccc(CN2CCCCC2)cc1 ZINC000002735299 568805531 /nfs/dbraw/zinc/80/55/31/568805531.db2.gz KDALXDHVZZFTEK-UHFFFAOYSA-N 0 3 424.286 3.263 50 0 HGAAHN Cc1cccc(CN2CCC(NC(=O)COc3ccc(N4CCCC4=O)cc3)CC2)c1 ZINC000057646265 568856992 /nfs/dbraw/zinc/85/69/92/568856992.db2.gz KFOZQBGVKZPOEU-UHFFFAOYSA-N 0 3 421.541 3.281 50 0 HGAAHN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000003290527 568873525 /nfs/dbraw/zinc/87/35/25/568873525.db2.gz JTVNYAMWDNPQQZ-UYAOXDASSA-N 0 3 403.473 3.138 50 0 HGAAHN CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[C@H](O)CN(C)Cc1ccccc1)C2=O ZINC000058167327 568895524 /nfs/dbraw/zinc/89/55/24/568895524.db2.gz BVCLBYHIMDQNRW-ITGJCUMNSA-N 0 3 415.578 3.396 50 0 HGAAHN COCCN(C)CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1F)c1ccccc1 ZINC000083859401 568921406 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419.447 3.477 50 0 HGAAHN O=C(C1CCN(c2nc3cccnc3s2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000015770071 568997509 /nfs/dbraw/zinc/99/75/09/568997509.db2.gz HSFCNUXJESHANA-UHFFFAOYSA-N 0 3 413.591 3.385 50 0 HGAAHN CN1CCN(CCCNC(=O)Nc2cccnc2N2CCCC2)[C@@H](c2ccccc2)C1 ZINC000229752883 569040616 /nfs/dbraw/zinc/04/06/16/569040616.db2.gz CWLKTVFRLWZGIY-JOCHJYFZSA-N 0 3 422.577 3.182 50 0 HGAAHN CCCCOc1ccc(C(=O)NCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000013022580 569051205 /nfs/dbraw/zinc/05/12/05/569051205.db2.gz LCNQBCVJISDJER-UHFFFAOYSA-N 0 3 423.557 3.376 50 0 HGAAHN Cc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1-n1nnc2cccnc21 ZINC000064925624 569122826 /nfs/dbraw/zinc/12/28/26/569122826.db2.gz ATVMITLQOQANNG-UHFFFAOYSA-N 0 3 414.513 3.376 50 0 HGAAHN Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)cccc1-n1nnc2cccnc21 ZINC000064925717 569122842 /nfs/dbraw/zinc/12/28/42/569122842.db2.gz HYMDDKBOVJWSCQ-UHFFFAOYSA-N 0 3 404.518 3.214 50 0 HGAAHN COc1ccc([C@@H](CNC(=O)C[C@@H](NC(C)=O)c2ccccc2)N2CCCC2)cc1 ZINC000006865335 569158893 /nfs/dbraw/zinc/15/88/93/569158893.db2.gz FPJJLJLUEXHXEQ-DHIUTWEWSA-N 0 3 409.530 3.216 50 0 HGAAHN O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000036395499 569168761 /nfs/dbraw/zinc/16/87/61/569168761.db2.gz OGBGEZOFZDCZCW-HSZRJFAPSA-N 0 3 419.569 3.249 50 0 HGAAHN CC(C)N1c2ccc(C(=O)NCCN3CCCC3)cc2Sc2ncccc2C1=O ZINC000065241458 569204204 /nfs/dbraw/zinc/20/42/04/569204204.db2.gz FRSJMNRALBYTOU-UHFFFAOYSA-N 0 3 410.543 3.427 50 0 HGAAHN CCCCN1CCN(C(=O)CC[C@@H]2CCCN(c3cc(NCCC)ncn3)C2)CC1 ZINC000065244852 569204656 /nfs/dbraw/zinc/20/46/56/569204656.db2.gz WVAVSMPZFLEEBX-FQEVSTJZSA-N 0 3 416.614 3.239 50 0 HGAAHN CN1CCC(NC(=O)[C@H]2CCc3sc(C(=O)N4CCCCCC4)cc3C2)CC1 ZINC000065273147 569216105 /nfs/dbraw/zinc/21/61/05/569216105.db2.gz JZGORWRLRYKZTN-INIZCTEOSA-N 0 3 403.592 3.080 50 0 HGAAHN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCNc1cc(N(C)C)nc(C)n1 ZINC000036708046 569222017 /nfs/dbraw/zinc/22/20/17/569222017.db2.gz DIBSCELXHFIIJO-UHFFFAOYSA-N 0 3 414.897 3.310 50 0 HGAAHN N=C1NC(SCC(=O)Nc2ccc(Cl)cc2)=N[C@@H](c2c[nH]c3ccccc32)N1 ZINC000013579114 569256317 /nfs/dbraw/zinc/25/63/17/569256317.db2.gz KXTVYQBZSPRDKS-KRWDZBQOSA-N 0 3 412.906 3.466 50 0 HGAAHN Cc1ccc(C)c(NC(=O)CSC2=N[C@@H](c3c[nH]c4ccccc43)NC(=N)N2)c1 ZINC000013579116 569256328 /nfs/dbraw/zinc/25/63/28/569256328.db2.gz ABUJQLJDHRXLOA-IBGZPJMESA-N 0 3 406.515 3.429 50 0 HGAAHN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000089791050 569266208 /nfs/dbraw/zinc/26/62/08/569266208.db2.gz IXXGBLUGLVDKAX-YADHBBJMSA-N 0 3 411.521 3.361 50 0 HGAAHN FC(F)(F)c1cccc(N2CCN(C3CCN(Cc4ccncc4)CC3)CC2)n1 ZINC000252505746 569291198 /nfs/dbraw/zinc/29/11/98/569291198.db2.gz VTJVDWHNPFGUPI-UHFFFAOYSA-N 0 3 405.468 3.282 50 0 HGAAHN O=C(C1[C@@H](c2c(F)cccc2Cl)NC(=O)N[C@]1(O)c1ccccc1)C(F)(F)F ZINC000017610642 569293913 /nfs/dbraw/zinc/29/39/13/569293913.db2.gz GLDVABPFDZZKSU-CPUCHLNUSA-N 0 3 416.758 3.426 50 0 HGAAHN Cc1csc2nc(CN[C@@H]3[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]3C)cc(=O)n12 ZINC000253417306 569367409 /nfs/dbraw/zinc/36/74/09/569367409.db2.gz FUZGSLRUGRWWST-HACGYAERSA-N 0 3 406.552 3.188 50 0 HGAAHN CCN1CCCC[C@@H]1CNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000253424170 569368103 /nfs/dbraw/zinc/36/81/03/569368103.db2.gz BJPFRDAMCPEPAV-OAHLLOKOSA-N 0 3 422.327 3.173 50 0 HGAAHN Cc1nccn1CC(=O)N1CCC(c2noc(-c3cc(-c4cccs4)n[nH]3)n2)CC1 ZINC000253473238 569381574 /nfs/dbraw/zinc/38/15/74/569381574.db2.gz SYZQMBIHFXYQBD-UHFFFAOYSA-N 0 3 423.502 3.099 50 0 HGAAHN O=C(Nc1cccc(OC(F)F)c1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000078975212 569422803 /nfs/dbraw/zinc/42/28/03/569422803.db2.gz SJZWHCIWHXUESG-QFBILLFUSA-N 0 3 405.445 3.293 50 0 HGAAHN CN1CCN(C[C@@H](O)Cn2c3ccccc3c3cc(Br)ccc32)CC1 ZINC000019891727 569433296 /nfs/dbraw/zinc/43/32/96/569433296.db2.gz HENAKKLFJXLKOJ-MRXNPFEDSA-N 0 3 402.336 3.165 50 0 HGAAHN O=C1CCc2cc(S(=O)(=O)NCC3(N4CCCCC4)CCCCC3)ccc2N1 ZINC000008771121 571117306 /nfs/dbraw/zinc/11/73/06/571117306.db2.gz PMBCSLNVPDJFSR-UHFFFAOYSA-N 0 3 405.564 3.038 50 0 HGAAHN COc1ccc([C@@H]2CCCCCN2C[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000040051358 571145345 /nfs/dbraw/zinc/14/53/45/571145345.db2.gz DHLQMQQQQLGETD-AVRDEDQJSA-N 0 3 408.498 3.269 50 0 HGAAHN CCN(CC)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1)c1ccsc1 ZINC000040089482 571159363 /nfs/dbraw/zinc/15/93/63/571159363.db2.gz CMCOUZWKSZPNGS-QFBILLFUSA-N 0 3 403.548 3.393 50 0 HGAAHN CC(C)[C@H](CNC(=O)Cc1cc2ccccc2[nH]c1=O)N1CCc2ccccc2C1 ZINC000040108714 571168160 /nfs/dbraw/zinc/16/81/60/571168160.db2.gz WEJQGGKTVFFGTQ-QHCPKHFHSA-N 0 3 403.526 3.270 50 0 HGAAHN CC1CCN(CCNC(=O)c2cc(Cl)ccc2I)CC1 ZINC000040121275 571177166 /nfs/dbraw/zinc/17/71/66/571177166.db2.gz UHNUMJXRLLGWJU-UHFFFAOYSA-N 0 3 406.695 3.406 50 0 HGAAHN Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(N2CCCN(C)CC2)nc1 ZINC000040152046 571199814 /nfs/dbraw/zinc/19/98/14/571199814.db2.gz GFYRCJLBHIYMBB-UHFFFAOYSA-N 0 3 407.493 3.149 50 0 HGAAHN NC(=O)C1CC[NH+](CCOc2ccc(-c3n[nH]cc3-c3ccccc3)c([O-])c2)CC1 ZINC000008996415 571208818 /nfs/dbraw/zinc/20/88/18/571208818.db2.gz PYIQTHALSLWYHD-UHFFFAOYSA-N 0 3 406.486 3.025 50 0 HGAAHN CCNC(=O)N1CCC[C@H](c2cccc(C(=O)NCCN3CCCC[C@H]3C)c2)C1 ZINC000245238066 571219628 /nfs/dbraw/zinc/21/96/28/571219628.db2.gz PEOVBAMEGAMIDK-NQIIRXRSSA-N 0 3 400.567 3.200 50 0 HGAAHN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCN(C)C)OC1(CCCCC1)CC3 ZINC000009418990 571256480 /nfs/dbraw/zinc/25/64/80/571256480.db2.gz XXUPDADZLOOOBT-UHFFFAOYSA-N 0 3 412.530 3.350 50 0 HGAAHN CN(CCNC(=O)c1ccc(NC(=O)C2=CSCCO2)cc1)Cc1ccccc1 ZINC000009738081 571283163 /nfs/dbraw/zinc/28/31/63/571283163.db2.gz MWPMAMUZNKMJMJ-UHFFFAOYSA-N 0 3 411.527 3.092 50 0 HGAAHN COc1ccccc1Oc1nc(N2CCN(C)CC2)nc2c1CN(CC(C)C)CC2 ZINC000034755621 571316555 /nfs/dbraw/zinc/31/65/55/571316555.db2.gz MCOREGYTAWPSRY-UHFFFAOYSA-N 0 3 411.550 3.043 50 0 HGAAHN Cc1ccc2c(c1)N(C(=O)CCC(=O)NC1CCN(Cc3ccccc3)CC1)CCO2 ZINC000006798148 132317130 /nfs/dbraw/zinc/31/71/30/132317130.db2.gz JPKYOPJYEGVZBE-UHFFFAOYSA-N 0 3 421.541 3.281 50 0 HGAAHN CCN(CC)[C@H](CNC(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1)c1cccc(OC)c1 ZINC000032753484 520864898 /nfs/dbraw/zinc/86/48/98/520864898.db2.gz JBXPZGMKSLMVHU-ROYMIACWSA-N 0 3 423.557 3.412 50 0 HGAAHN COCCCn1cnc2sc3c(c2c1=O)CC[C@@H](NCc1cc(F)ccc1F)C3 ZINC000020598956 523508938 /nfs/dbraw/zinc/50/89/38/523508938.db2.gz BAFSZUABCIFNCY-OAHLLOKOSA-N 0 3 419.497 3.420 50 0 HGAAHN Cc1cc(C(=O)NCc2nnc3n2CCN(Cc2cc(C)cc(C)c2)CC3)c(C)o1 ZINC000020599568 524112993 /nfs/dbraw/zinc/11/29/93/524112993.db2.gz ZPCRCIGUUXKJEA-UHFFFAOYSA-N 0 3 407.518 3.093 50 0 HGAAHN Cc1cc(C)cc(OC[C@H](O)CN2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 ZINC000045822012 524452216 /nfs/dbraw/zinc/45/22/16/524452216.db2.gz RPHPMMQMCWUPMM-OAQYLSRUSA-N 0 3 400.494 3.077 50 0 HGAAHN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CCC(=O)NCCN(C)C)c1 ZINC000032974976 524795046 /nfs/dbraw/zinc/79/50/46/524795046.db2.gz DTCPNFRPDPTVEP-UHFFFAOYSA-N 0 3 422.529 3.167 50 0 HGAAHN Cc1ccccc1NC(=O)COc1ccc(Br)cc1CNCCCO ZINC000002884425 557421234 /nfs/dbraw/zinc/42/12/34/557421234.db2.gz RPGIRCHZCYUPCH-UHFFFAOYSA-N 0 3 407.308 3.247 50 0 HGAAHN Cc1ccc(OC[C@H](O)Cn2c3ccccc3n(CCN3CCCCC3)c2=N)cc1 ZINC000004082730 557511029 /nfs/dbraw/zinc/51/10/29/557511029.db2.gz QMQZDGQMFWZYJI-HXUWFJFHSA-N 0 3 408.546 3.156 50 0 HGAAHN CCN(CC)CCn1c2ccccc2n(C[C@H](O)COc2ccc(Cl)cc2)c1=N ZINC000005016321 557626150 /nfs/dbraw/zinc/62/61/50/557626150.db2.gz BMYZMZJZHZOWRG-SFHVURJKSA-N 0 3 416.953 3.357 50 0 HGAAHN CCCOc1c(Br)cc(CNCCCN2CCOCC2)cc1OCC ZINC000005027713 557627406 /nfs/dbraw/zinc/62/74/06/557627406.db2.gz PDKXXRBRJKTLPR-UHFFFAOYSA-N 0 3 415.372 3.449 50 0 HGAAHN CCN1CCN(C[C@@H](O)COc2cccc(CNCc3cccc(Cl)c3)c2)CC1 ZINC000019841615 558294197 /nfs/dbraw/zinc/29/41/97/558294197.db2.gz CNPRHXIYNGDXEA-JOCHJYFZSA-N 0 3 417.981 3.007 50 0 HGAAHN Cc1nccn1CCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2 ZINC000020202390 558346009 /nfs/dbraw/zinc/34/60/09/558346009.db2.gz ROGQACDQLWEXFP-JOCHJYFZSA-N 0 3 402.489 3.375 50 0 HGAAHN Cc1cccn2c(CNCCOC(C)C)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000012445296 558413402 /nfs/dbraw/zinc/41/34/02/558413402.db2.gz YSDFGQLHJPXJAC-UHFFFAOYSA-N 0 3 408.546 3.472 50 0 HGAAHN CCCCc1ncc(CN2CCC[C@@H](CNC(=O)COc3ccccc3OC)C2)[nH]1 ZINC000012447555 558414893 /nfs/dbraw/zinc/41/48/93/558414893.db2.gz ZLQQBEVLPWPDDU-SFHVURJKSA-N 0 3 414.550 3.168 50 0 HGAAHN c1cc(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)n(-c2ncccn2)c1 ZINC000020911348 558422056 /nfs/dbraw/zinc/42/20/56/558422056.db2.gz JZJOOTSJQWXPTR-QFIPXVFZSA-N 0 3 402.546 3.054 50 0 HGAAHN CC(=O)c1ccc(OCC(=O)N(C)[C@@H]2CCCN(C3Cc4ccccc4C3)C2)cc1 ZINC000012587283 558434314 /nfs/dbraw/zinc/43/43/14/558434314.db2.gz MQEGRJPBVVGYOE-JOCHJYFZSA-N 0 3 406.526 3.358 50 0 HGAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1snnc1C ZINC000012593894 558436830 /nfs/dbraw/zinc/43/68/30/558436830.db2.gz FMPFSGXFGITNEB-GOSISDBHSA-N 0 3 402.564 3.272 50 0 HGAAHN COc1ccc([C@@H](CNC(=O)CCc2nc(-c3ccsc3)no2)N(C)C)cc1 ZINC000021635672 558444049 /nfs/dbraw/zinc/44/40/49/558444049.db2.gz LBOCPYXRPQHJNK-QGZVFWFLSA-N 0 3 400.504 3.158 50 0 HGAAHN CN(C(=O)CC[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)C1CCN(C)CC1 ZINC000012710773 558452233 /nfs/dbraw/zinc/45/22/33/558452233.db2.gz RXMDRLOBUCRCDQ-FQEVSTJZSA-N 0 3 415.578 3.027 50 0 HGAAHN CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)CCN2C(C)=O)c1cccc(OC)c1 ZINC000022700856 558505624 /nfs/dbraw/zinc/50/56/24/558505624.db2.gz RSMZFTJNUHIIIV-HSZRJFAPSA-N 0 3 409.530 3.417 50 0 HGAAHN COc1ccc([C@H](CNCc2ccc(OC(F)F)c(OC)c2)N2CCOCC2)cc1 ZINC000022789503 558511952 /nfs/dbraw/zinc/51/19/52/558511952.db2.gz UCCUDYXXDBBGLU-IBGZPJMESA-N 0 3 422.472 3.468 50 0 HGAAHN COc1ccc(-c2noc(CN3CCN(C4CCCCC4)CC3)n2)c(OC)c1OC ZINC000023359911 558551656 /nfs/dbraw/zinc/55/16/56/558551656.db2.gz IEPYBOXIYWUYSF-UHFFFAOYSA-N 0 3 416.522 3.213 50 0 HGAAHN CCc1ccc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000023375004 558554430 /nfs/dbraw/zinc/55/44/30/558554430.db2.gz CABYTVMWCWYOSE-HXUWFJFHSA-N 0 3 411.546 3.353 50 0 HGAAHN COc1ccccc1NC(=O)CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382188 558555731 /nfs/dbraw/zinc/55/57/31/558555731.db2.gz ZNTADTSTSTUAAH-DNVCBOLYSA-N 0 3 420.469 3.140 50 0 HGAAHN O=C(CCN1CCC(C(=O)c2ccccc2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000025946735 558652550 /nfs/dbraw/zinc/65/25/50/558652550.db2.gz LIBGEORRNRSDRF-UHFFFAOYSA-N 0 3 421.541 3.447 50 0 HGAAHN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](NCc1cc(F)cc(F)c1)CC2 ZINC000014740927 558666985 /nfs/dbraw/zinc/66/69/85/558666985.db2.gz PYKQRSOSOOYDNN-QGZVFWFLSA-N 0 3 414.456 3.211 50 0 HGAAHN COCCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O ZINC000014748853 558670172 /nfs/dbraw/zinc/67/01/72/558670172.db2.gz KCKPMKTXIGUMKF-UHFFFAOYSA-N 0 3 407.514 3.132 50 0 HGAAHN O=C(CCN1CCCCCC1=O)N1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000014947907 558680087 /nfs/dbraw/zinc/68/00/87/558680087.db2.gz RYEFXUWACAHGQY-XMMPIXPASA-N 0 3 415.553 3.433 50 0 HGAAHN CN(Cc1ccc2nonc2c1)Cc1ccccc1OC[C@H](O)CN1CCCCC1 ZINC000014958579 558683159 /nfs/dbraw/zinc/68/31/59/558683159.db2.gz YBYSRDDDEJNUGY-HXUWFJFHSA-N 0 3 410.518 3.080 50 0 HGAAHN COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc4nonc4c3)N3CCC[C@@]23C1=O ZINC000014965643 558685712 /nfs/dbraw/zinc/68/57/12/558685712.db2.gz DBRJCNRHVUNZTA-NYDSKATKSA-N 0 3 404.470 3.169 50 0 HGAAHN O=C(c1cccc(-c2ccc(F)cc2)c1)N1CCC(=O)N(CCN2CCCC2)CC1 ZINC000014991053 558694344 /nfs/dbraw/zinc/69/43/44/558694344.db2.gz CLBDMCDJTYWHHZ-UHFFFAOYSA-N 0 3 409.505 3.263 50 0 HGAAHN O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000029838255 558722023 /nfs/dbraw/zinc/72/20/23/558722023.db2.gz MRHBRWOVQMYAAB-LJQANCHMSA-N 0 3 411.933 3.258 50 0 HGAAHN COc1ccc(-c2noc3c(O)n(-c4ccc5ccccc5c4)c(O)c23)cc1OC ZINC000016013205 558766701 /nfs/dbraw/zinc/76/67/01/558766701.db2.gz FKCWRXQHFQSHKJ-FPOVZHCZSA-N 0 3 402.406 3.150 50 0 HGAAHN Cn1c2ccc([C@H](O)COc3ccc(CNCc4cccs4)cc3)cc2n(C)c1=O ZINC000016363953 558788439 /nfs/dbraw/zinc/78/84/39/558788439.db2.gz ZDBUJOAFFWJUFJ-JOCHJYFZSA-N 0 3 423.538 3.341 50 0 HGAAHN COc1cc(OC)c(OC)cc1CN1CCN(CC2CCCCC2)[C@@H](CCO)C1 ZINC000019226667 558852845 /nfs/dbraw/zinc/85/28/45/558852845.db2.gz HEHRYADQWKJZGA-FQEVSTJZSA-N 0 3 406.567 3.161 50 0 HGAAHN CCOC(=O)c1ccc(NC(=O)CC2C(=O)Nc3c(-c4ccccc4)cnn32)cc1 ZINC000071285506 558896730 /nfs/dbraw/zinc/89/67/30/558896730.db2.gz HREMGDIYIXNOLT-SFHVURJKSA-N 0 3 404.426 3.249 50 0 HGAAHN O=C(CN(C[C@@H]1CCOC1)C1CC1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000058147604 558902235 /nfs/dbraw/zinc/90/22/35/558902235.db2.gz CXIZJYGEFJRNDW-UWJYYQICSA-N 0 3 405.970 3.094 50 0 HGAAHN Cc1ccc(C(=O)NCc2ccc(N3CCCN(C)CC3)nc2)cc1-n1cccc1 ZINC000058194894 558910758 /nfs/dbraw/zinc/91/07/58/558910758.db2.gz BVTMFVHNTPRNGZ-UHFFFAOYSA-N 0 3 403.530 3.253 50 0 HGAAHN CCCCN(C)C(=O)c1nc2ccccn2c1CNCCc1nc2ccccc2n1C ZINC000019594788 558945617 /nfs/dbraw/zinc/94/56/17/558945617.db2.gz AQABBCJDSUKMFH-UHFFFAOYSA-N 0 3 418.545 3.425 50 0 HGAAHN Cc1ccc(NC(=O)c2nnc(C(=O)NCCCN(C)Cc3ccccc3)s2)cc1 ZINC000033060420 558954889 /nfs/dbraw/zinc/95/48/89/558954889.db2.gz FAHMUOOBNANFER-UHFFFAOYSA-N 0 3 423.542 3.351 50 0 HGAAHN Cc1ccc2cc(CN3C[C@H](O)[C@@H](N4CCOCC4)C3)c(-c3cccs3)nc2c1 ZINC000072435794 558980135 /nfs/dbraw/zinc/98/01/35/558980135.db2.gz DKHSMNZQDBQONT-SFTDATJTSA-N 0 3 409.555 3.149 50 0 HGAAHN O=C1NC(=O)[C@@](Cc2ccc(F)cc2)(C2CCN(c3ccnc4ccccc43)CC2)N1 ZINC000067805982 558993116 /nfs/dbraw/zinc/99/31/16/558993116.db2.gz JHBGADZPUGEIBX-XMMPIXPASA-N 0 3 418.472 3.411 50 0 HGAAHN CNC(=O)[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000097165608 558998566 /nfs/dbraw/zinc/99/85/66/558998566.db2.gz PAXTVTCSQVBMRE-QZTJIDSGSA-N 0 3 411.550 3.003 50 0 HGAAHN CN1CCN([C@H]2CCN(c3ccnc4ccc(Cl)cc43)C[C@H]2CCCO)CC1 ZINC000091626090 559072488 /nfs/dbraw/zinc/07/24/88/559072488.db2.gz JVZHHOSSBFNUIF-UTKZUKDTSA-N 0 3 402.970 3.103 50 0 HGAAHN O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1cccc3ncccc13)CC2 ZINC000095498332 559081758 /nfs/dbraw/zinc/08/17/58/559081758.db2.gz OQADLSRMNGROSH-UHFFFAOYSA-N 0 3 401.514 3.244 50 0 HGAAHN Cc1noc(CN(C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)n1 ZINC000095531305 559086991 /nfs/dbraw/zinc/08/69/91/559086991.db2.gz YRZMSWSLNPLYIP-FQEVSTJZSA-N 0 3 402.514 3.410 50 0 HGAAHN CN(C)[C@H](CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)Cc1ccccc1 ZINC000011603669 559113182 /nfs/dbraw/zinc/11/31/82/559113182.db2.gz VRYDKPWOVSCXOR-QFBILLFUSA-N 0 3 417.962 3.432 50 0 HGAAHN O=S(=O)(NCC1CCN([C@H]2CCSC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000225574128 559189530 /nfs/dbraw/zinc/18/95/30/559189530.db2.gz PJURXXKJXGNCQE-AWEZNQCLSA-N 0 3 424.510 3.081 50 0 HGAAHN CN(C(=O)c1c(=O)n(C)nc(-c2ccccc2)c1-c1ccccc1)C1CCN(C)CC1 ZINC000012016342 559271250 /nfs/dbraw/zinc/27/12/50/559271250.db2.gz FRRCNUFNEWNSBO-UHFFFAOYSA-N 0 3 416.525 3.281 50 0 HGAAHN O[C@H](Cn1c2ccccc2c2ccccc21)CN1CCN(CCc2ccccn2)CC1 ZINC000061721387 560537561 /nfs/dbraw/zinc/53/75/61/560537561.db2.gz GJICURDTOJFTCU-QFIPXVFZSA-N 0 3 414.553 3.411 50 0 HGAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc(C)cc3)nc1=O)CCC2 ZINC000005254260 560551971 /nfs/dbraw/zinc/55/19/71/560551971.db2.gz XBWHRTAQYUZOEC-UHFFFAOYSA-N 0 3 414.575 3.113 50 0 HGAAHN O=c1c(CN2CCN(c3ccc(F)cc3)CC2)coc([O-])c1C[NH+]1CCCCCC1 ZINC000101409273 560794335 /nfs/dbraw/zinc/79/43/35/560794335.db2.gz YXZCDHZGTMNNBT-UHFFFAOYSA-N 0 3 415.509 3.183 50 0 HGAAHN CN1CCN(CCCNC(=O)Nc2cccnc2N2CCCC2)[C@H](c2ccccc2)C1 ZINC000048235239 568432810 /nfs/dbraw/zinc/43/28/10/568432810.db2.gz CWLKTVFRLWZGIY-QFIPXVFZSA-N 0 3 422.577 3.182 50 0 HGAAHN CCn1nnc2cc(C(=O)N[C@@H]3CC4(CCN(C)CC4)Oc4ccccc43)ccc21 ZINC000048303909 568436222 /nfs/dbraw/zinc/43/62/22/568436222.db2.gz PRZRWTZZCDARMY-LJQANCHMSA-N 0 3 405.502 3.169 50 0 HGAAHN Cc1ccc(NC(=O)Cn2cnc3c(c2=O)CN(Cc2ccccc2)CC3)cc1C ZINC000049400708 568447668 /nfs/dbraw/zinc/44/76/68/568447668.db2.gz BULKRDXGSFHDBO-UHFFFAOYSA-N 0 3 402.498 3.057 50 0 HGAAHN Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc1F ZINC000049400788 568447679 /nfs/dbraw/zinc/44/76/79/568447679.db2.gz NZBVZXKXPBBGHR-UHFFFAOYSA-N 0 3 420.488 3.196 50 0 HGAAHN O=C1C[C@H](c2ccc(Cl)cc2)[C@H](n2cncn2)C(=O)[C@@H]1[C@H]1NCCc2ccccc21 ZINC000049581141 568452810 /nfs/dbraw/zinc/45/28/10/568452810.db2.gz NBBYHVVEXVSNGZ-GBAJDQEWSA-N 0 3 420.900 3.302 50 0 HGAAHN CCCN1CCN(CCCNC(=O)c2cc3cc4ccc(OC)cc4nc3o2)CC1 ZINC000020210113 568594231 /nfs/dbraw/zinc/59/42/31/568594231.db2.gz OMCOENAXVHJPJB-UHFFFAOYSA-N 0 3 410.518 3.137 50 0 HGAAHN CCN1CCN(CCCNC(=O)c2cc3c(s2)c2cc(C)ccc2oc3=O)CC1 ZINC000020286366 568596950 /nfs/dbraw/zinc/59/69/50/568596950.db2.gz WCHPRLDDQKMSRS-UHFFFAOYSA-N 0 3 413.543 3.074 50 0 HGAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)c2cn(CCc3ccccc3)nn2)C1 ZINC000012385352 568672781 /nfs/dbraw/zinc/67/27/81/568672781.db2.gz IKJGTXNGDNHISC-NRFANRHFSA-N 0 3 403.530 3.049 50 0 HGAAHN CCOC(=O)C1=C(CNCCc2ccc(OCC)cc2)NC(=O)N[C@H]1c1ccccc1 ZINC000085993821 568745118 /nfs/dbraw/zinc/74/51/18/568745118.db2.gz IFYDJSOVZBAADG-QFIPXVFZSA-N 0 3 423.513 3.089 50 0 HGAAHN CCOC(=O)C1C(CNCCc2ccc(OCC)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000085993821 568745120 /nfs/dbraw/zinc/74/51/20/568745120.db2.gz IFYDJSOVZBAADG-QFIPXVFZSA-N 0 3 423.513 3.089 50 0 HGAAHN CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)N1CCN(C3CCCCC3)CC1)C2 ZINC000096398280 568746998 /nfs/dbraw/zinc/74/69/98/568746998.db2.gz NLBLKPBQCOANDK-MRXNPFEDSA-N 0 3 403.592 3.032 50 0 HGAAHN CCN1CCN(CCCNC(=O)c2cc(-c3cccnc3)nc3ccccc32)CC1 ZINC000021934562 568761907 /nfs/dbraw/zinc/76/19/07/568761907.db2.gz UHTRFFGUWQZBBB-UHFFFAOYSA-N 0 3 403.530 3.054 50 0 HGAAHN CCCS(=O)(=O)C(C)C(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000055731324 568782388 /nfs/dbraw/zinc/78/23/88/568782388.db2.gz FZKQFBUHBQYFJZ-LLVKDONJSA-N 0 3 413.337 3.028 50 0 HGAAHN CCN1CCN(c2ccc(N[C@H](C)C(=O)NC(=O)Nc3ccccc3)c(C)c2)CC1 ZINC000056170347 568790592 /nfs/dbraw/zinc/79/05/92/568790592.db2.gz FCRDOEGBUFIGIT-GOSISDBHSA-N 0 3 409.534 3.286 50 0 HGAAHN O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000056479466 568807700 /nfs/dbraw/zinc/80/77/00/568807700.db2.gz GAAOUYSITZOJOK-FQEVSTJZSA-N 0 3 418.541 3.210 50 0 HGAAHN Cc1c(Br)c(C(F)F)nn1CC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000002781561 568808587 /nfs/dbraw/zinc/80/85/87/568808587.db2.gz WZOWYOIHTLSVEK-LLVKDONJSA-N 0 3 407.303 3.128 50 0 HGAAHN CN(CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)Cc1ccccc1 ZINC000002954385 568829711 /nfs/dbraw/zinc/82/97/11/568829711.db2.gz JNTFYRHEOIIQQV-QGZVFWFLSA-N 0 3 417.912 3.470 50 0 HGAAHN O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCc2ccccc2)CC1 ZINC000299766418 568873812 /nfs/dbraw/zinc/87/38/12/568873812.db2.gz DJNZRVHHTUBRSK-HSZRJFAPSA-N 0 3 412.505 3.139 50 0 HGAAHN CC(C)N1CCN(c2ccc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)cc2)CC1 ZINC000058010265 568875289 /nfs/dbraw/zinc/87/52/89/568875289.db2.gz IOMHXGCVADPHMV-DEOSSOPVSA-N 0 3 406.574 3.346 50 0 HGAAHN COc1cccc(-c2nc3cc(F)ccc3cc2CN[C@H]2CCS(=O)(=O)C2)c1 ZINC000299802694 568876797 /nfs/dbraw/zinc/87/67/97/568876797.db2.gz NKXHFCDGLUOBQX-SFHVURJKSA-N 0 3 400.475 3.326 50 0 HGAAHN COc1ccccc1CNC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000031083793 568912710 /nfs/dbraw/zinc/91/27/10/568912710.db2.gz FWLMKZUSCSYYMY-UHFFFAOYSA-N 0 3 410.562 3.405 50 0 HGAAHN CCN(CC)CCNC(=O)C[S@](=O)Cc1nc(-c2ccccc2Cl)oc1C ZINC000004111312 568944121 /nfs/dbraw/zinc/94/41/21/568944121.db2.gz PCUINXOSECMXAB-MHZLTWQESA-N 0 3 411.955 3.010 50 0 HGAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000007988585 568965962 /nfs/dbraw/zinc/96/59/62/568965962.db2.gz PSGVWFZBBWVYHK-QFIPXVFZSA-N 0 3 406.530 3.321 50 0 HGAAHN CN(CCNC(=O)C1CCN(c2nc3cccnc3s2)CC1)Cc1ccccc1 ZINC000015770215 568997534 /nfs/dbraw/zinc/99/75/34/568997534.db2.gz HOIUXAJFZYHNNA-UHFFFAOYSA-N 0 3 409.559 3.156 50 0 HGAAHN COCCNCc1cnc(C)c2oc(-c3cc(=O)oc4cc5c(cc43)OCO5)cc21 ZINC000085876636 569009583 /nfs/dbraw/zinc/00/95/83/569009583.db2.gz JRFKDMNGDKNCFZ-UHFFFAOYSA-N 0 3 408.410 3.374 50 0 biogenic HGAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000012910653 569021539 /nfs/dbraw/zinc/02/15/39/569021539.db2.gz JSCAQWWFZMRCPY-FGZHOGPDSA-N 0 3 407.514 3.371 50 0 HGAAHN CCOc1ccc(Br)cc1S(=O)(=O)NCCCN1CCCCCC1 ZINC000012936982 569027308 /nfs/dbraw/zinc/02/73/08/569027308.db2.gz JUAXYXHXZWEKIR-UHFFFAOYSA-N 0 3 419.385 3.392 50 0 HGAAHN Cc1cccc(-c2ccc(N3CCC(C(=O)NCCN4CCCCC4)CC3)nn2)c1 ZINC000035398375 569035140 /nfs/dbraw/zinc/03/51/40/569035140.db2.gz OLQSYQKJWXEOHY-UHFFFAOYSA-N 0 3 407.562 3.271 50 0 HGAAHN CC(C)CN(CC(C)C)C(=O)c1cc(NC(=O)C(C)(C)C)cnc1N1CCNCC1 ZINC000035514133 569043299 /nfs/dbraw/zinc/04/32/99/569043299.db2.gz FBZSASYYBORVIT-UHFFFAOYSA-N 0 3 417.598 3.230 50 0 HGAAHN Cc1noc(C)c1CN1CCc2c(C(=O)NC[C@H](C)N3CCCC3)csc2C1 ZINC000426727487 569074047 /nfs/dbraw/zinc/07/40/47/569074047.db2.gz MLGLUKYELMGCDW-AWEZNQCLSA-N 0 3 402.564 3.125 50 0 HGAAHN COc1ccc(CN(C[C@H](O)COCc2ccccc2)C[C@@H]2CCCO2)cc1OC ZINC000036096051 569090345 /nfs/dbraw/zinc/09/03/45/569090345.db2.gz ATUKVMYQOHLSII-VXKWHMMOSA-N 0 3 415.530 3.263 50 0 HGAAHN CCNC(=O)Nc1ccc(N(C)C)c(CN(CCN(C)C)C(=O)C(CC)CC)c1 ZINC000006712903 569096872 /nfs/dbraw/zinc/09/68/72/569096872.db2.gz 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ZINC000065255975 569208004 /nfs/dbraw/zinc/20/80/04/569208004.db2.gz HHQDWRDLQRFJBU-QFIPXVFZSA-N 0 3 402.498 3.171 50 0 HGAAHN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1 ZINC000065256060 569208185 /nfs/dbraw/zinc/20/81/85/569208185.db2.gz LTBACTFLAVDHDU-FQEVSTJZSA-N 0 3 416.481 3.256 50 0 HGAAHN CCc1ccc([C@@H](CNC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)N(C)C)cc1 ZINC000036748064 569226089 /nfs/dbraw/zinc/22/60/89/569226089.db2.gz UJXZBKJSNGALAL-WOJBJXKFSA-N 0 3 416.953 3.421 50 0 HGAAHN CO[C@@H](C)CC(=O)OC1CCN(CCOc2cccc(Br)c2)CC1 ZINC000170609427 569245027 /nfs/dbraw/zinc/24/50/27/569245027.db2.gz VEHMTRIOULAXFN-AWEZNQCLSA-N 0 3 400.313 3.261 50 0 HGAAHN C[C@H]1C[C@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)CCN1Cc1ccccc1 ZINC000079025238 569424788 /nfs/dbraw/zinc/42/47/88/569424788.db2.gz NORMPTKZHRTKHA-AZUAARDMSA-N 0 3 406.530 3.101 50 0 HGAAHN C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)CCN1Cc1ccccc1 ZINC000079025234 569424793 /nfs/dbraw/zinc/42/47/93/569424793.db2.gz 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Cc1ccc(NC(=O)c2nnc(CCC(=O)NCCN3CCCC[C@H]3C)s2)cc1 ZINC000033062070 558955902 /nfs/dbraw/zinc/95/59/02/558955902.db2.gz IXMWZKSQIYXKSN-MRXNPFEDSA-N 0 3 415.563 3.022 50 0 HGAAHN CNC(=O)[C@H]1CCCC[C@H]1NCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000097165606 558998534 /nfs/dbraw/zinc/99/85/34/558998534.db2.gz PAXTVTCSQVBMRE-ZWKOTPCHSA-N 0 3 411.550 3.003 50 0 HGAAHN COCCN(C)CC[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1Cl)c1ccccc1 ZINC000078751633 559014530 /nfs/dbraw/zinc/01/45/30/559014530.db2.gz IWWJGPKCTQLLAA-LJQANCHMSA-N 0 3 417.937 3.413 50 0 HGAAHN Cc1nc2cc(OCc3nc(C(=O)NC[C@]4(C)CCN(C)C4)co3)ccc2s1 ZINC000091350836 559071247 /nfs/dbraw/zinc/07/12/47/559071247.db2.gz GMDWMXRQZURXTC-FQEVSTJZSA-N 0 3 400.504 3.243 50 0 HGAAHN CNCC(=O)N1CC(=O)N(c2cccc(-c3ccccc3)c2)C[C@H]1Cc1ccccc1 ZINC000091644777 559072648 /nfs/dbraw/zinc/07/26/48/559072648.db2.gz UEVNEFCSIRXTDQ-XMMPIXPASA-N 0 3 413.521 3.360 50 0 HGAAHN Cc1cc(C(=O)N(CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)no1 ZINC000095499326 559081876 /nfs/dbraw/zinc/08/18/76/559081876.db2.gz AKERWWZCFFKRSJ-SFHVURJKSA-N 0 3 402.514 3.038 50 0 HGAAHN O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1ccc3ccccc3n1)CC2 ZINC000095501840 559082461 /nfs/dbraw/zinc/08/24/61/559082461.db2.gz UZKAWFLPQCAMTR-UHFFFAOYSA-N 0 3 401.514 3.244 50 0 HGAAHN O=C(C1CC1)N1CCc2nc[nH]c2C12CCN(Cc1ccc3ccccc3n1)CC2 ZINC000095501840 559082463 /nfs/dbraw/zinc/08/24/63/559082463.db2.gz UZKAWFLPQCAMTR-UHFFFAOYSA-N 0 3 401.514 3.244 50 0 HGAAHN CCN1CCC(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)CC1 ZINC000011527064 559087727 /nfs/dbraw/zinc/08/77/27/559087727.db2.gz DVIVTJHZVYXHKU-KRWDZBQOSA-N 0 3 400.350 3.348 50 0 HGAAHN Cc1nnc(C2CCN(CC(=O)N[C@@H](c3cccs3)c3ccc(F)cc3)CC2)[nH]1 ZINC000078742916 560540812 /nfs/dbraw/zinc/54/08/12/560540812.db2.gz LRZMYHMTRXPIDS-HXUWFJFHSA-N 0 3 413.522 3.399 50 0 HGAAHN COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000005215663 560543303 /nfs/dbraw/zinc/54/33/03/560543303.db2.gz XBOFVEGFULKZJD-HXUWFJFHSA-N 0 3 420.465 3.077 50 0 HGAAHN COc1ccc(-c2noc3c(O)n(-c4ccc5ccccc5c4)c(O)c23)c(OC)c1 ZINC000101359084 560792457 /nfs/dbraw/zinc/79/24/57/560792457.db2.gz OCDKRZKEVHNGKR-TZIWHRDSSA-N 0 3 402.406 3.150 50 0 HGAAHN Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)NCCN1CCC(C)CC1 ZINC000048287436 568434708 /nfs/dbraw/zinc/43/47/08/568434708.db2.gz LQLCFZFSMRIRQN-UHFFFAOYSA-N 0 3 423.483 3.294 50 0 HGAAHN O=C(Nc1cccc(CN2CCOC2=O)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000048354677 568441112 /nfs/dbraw/zinc/44/11/12/568441112.db2.gz SCQNGIQSJMADDV-UHFFFAOYSA-N 0 3 408.502 3.425 50 0 HGAAHN O=C(NC1CC1)c1ccc(N2CC[C@@H](NCc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000049420993 568450460 /nfs/dbraw/zinc/45/04/60/568450460.db2.gz RLKXCVGNQKBMRI-GOSISDBHSA-N 0 3 404.436 3.361 50 0 HGAAHN CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000033028907 568510606 /nfs/dbraw/zinc/51/06/06/568510606.db2.gz XLMIKBBKDPILFR-IBGZPJMESA-N 0 3 423.966 3.059 50 0 HGAAHN CN1CCN(CCCNC(=O)c2cc3c(s2)c2ccccc2nc3Cl)CC1 ZINC000020286134 568597030 /nfs/dbraw/zinc/59/70/30/568597030.db2.gz IBFAIVSQYKGKCQ-UHFFFAOYSA-N 0 3 402.951 3.470 50 0 HGAAHN CCOC(=O)c1c(C)oc2ncnc(NCCCN3CCN(c4ccccc4)CC3)c21 ZINC000020942013 568653020 /nfs/dbraw/zinc/65/30/20/568653020.db2.gz HPQSEWILLXTPEI-UHFFFAOYSA-N 0 3 423.517 3.332 50 0 HGAAHN Cc1cccc(-n2c(CC(=O)NCCN3CCCC[C@@H]3C)c3[nH]cccc-3c2=O)c1 ZINC000096387072 568743861 /nfs/dbraw/zinc/74/38/61/568743861.db2.gz FQVWUWPKZYEKMO-GHTZIAJQSA-N 0 3 406.530 3.472 50 0 HGAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2ccc(OC)c(F)c2)CC1 ZINC000012459838 568756618 /nfs/dbraw/zinc/75/66/18/568756618.db2.gz MKPZLRODPJCRMM-LJQANCHMSA-N 0 3 419.541 3.067 50 0 HGAAHN CCCN1CCN(CCCNC(=O)c2cc(-c3ccccn3)nc3ccccc32)CC1 ZINC000021934184 568761977 /nfs/dbraw/zinc/76/19/77/568761977.db2.gz FDRPYHUDRHEEBM-UHFFFAOYSA-N 0 3 417.557 3.444 50 0 HGAAHN CN(C)[C@@H](CNC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000096593070 568763298 /nfs/dbraw/zinc/76/32/98/568763298.db2.gz FEAMZJKALXCEPB-DSTYWPJMSA-N 0 3 405.542 3.358 50 0 HGAAHN CN(C)Cc1ccc(N2CCN(C3CCC(C(=O)OC(C)(C)C)CC3)CC2)nc1 ZINC000097165311 568769646 /nfs/dbraw/zinc/76/96/46/568769646.db2.gz LKRGSRRBXVOEPI-UHFFFAOYSA-N 0 3 402.583 3.166 50 0 HGAAHN O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CCN2CCC[C@@H]2C1 ZINC000002486600 568775275 /nfs/dbraw/zinc/77/52/75/568775275.db2.gz YDPRVLBFSLWEOG-GFCCVEGCSA-N 0 3 421.448 3.397 50 0 HGAAHN Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000002631281 568790919 /nfs/dbraw/zinc/79/09/19/568790919.db2.gz ODDFIUJTAGTZCI-LPHOPBHVSA-N 0 3 420.575 3.030 50 0 HGAAHN CN(C)CCNC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000003217438 568847094 /nfs/dbraw/zinc/84/70/94/568847094.db2.gz LAWQVZCGDHUWTN-UHFFFAOYSA-N 0 3 416.330 3.086 50 0 HGAAHN O=C(COc1ccc(-c2ncccn2)cc1CN1CCCCCC1)NC[C@H]1CCCO1 ZINC000299768309 568873968 /nfs/dbraw/zinc/87/39/68/568873968.db2.gz JSCGMXKFXNTMSD-OAQYLSRUSA-N 0 3 424.545 3.194 50 0 HGAAHN O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(Cc2cccs2)CC1 ZINC000299778106 568874678 /nfs/dbraw/zinc/87/46/78/568874678.db2.gz ODDDNDHSDCLQSV-LJQANCHMSA-N 0 3 404.507 3.158 50 0 HGAAHN Cc1sc2nc(CCNC(=O)C3CCN(Cc4ccco4)CC3)[nH]c(=O)c2c1C ZINC000670439718 568887985 /nfs/dbraw/zinc/88/79/85/568887985.db2.gz WURKYCTZLMQPFN-UHFFFAOYSA-N 0 3 414.531 3.178 50 0 HGAAHN CCc1ccc([C@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)N(C)C)cc1 ZINC000012745562 568931172 /nfs/dbraw/zinc/93/11/72/568931172.db2.gz PILMHKQQMRAWJD-ZEQRLZLVSA-N 0 3 420.557 3.197 50 0 HGAAHN COc1ccc2c(c1)C[C@@H](C(=O)NCC1CCN(Cc3ccccc3F)CC1)CO2 ZINC000015786300 569007530 /nfs/dbraw/zinc/00/75/30/569007530.db2.gz WDJUKVIKPJKLCT-HXUWFJFHSA-N 0 3 412.505 3.414 50 0 HGAAHN Cc1cccc2c1ncn(CCCC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c2=O ZINC000012908845 569021712 /nfs/dbraw/zinc/02/17/12/569021712.db2.gz YBONNRKAANTRCS-QFIPXVFZSA-N 0 3 418.541 3.438 50 0 HGAAHN Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)NCCN4CCCCC4)C3)nn2)c1 ZINC000035398218 569035112 /nfs/dbraw/zinc/03/51/12/569035112.db2.gz VEGWSYTYUQBMON-NRFANRHFSA-N 0 3 407.562 3.271 50 0 HGAAHN Cc1ccc(-c2cnc(N3CCC[C@@H](C(=O)NCCN4CCCCC4)C3)nc2)cc1 ZINC000035455128 569037900 /nfs/dbraw/zinc/03/79/00/569037900.db2.gz SDFCVQUYRXUHDS-OAQYLSRUSA-N 0 3 407.562 3.271 50 0 HGAAHN O=C(C1[C@@H](c2c(F)cccc2Cl)NC(=O)N[C@]1(O)c1ccccc1)C(F)(F)F ZINC000103401241 569048020 /nfs/dbraw/zinc/04/80/20/569048020.db2.gz GLDVABPFDZZKSU-VBQJREDUSA-N 0 3 416.758 3.426 50 0 HGAAHN CCS(=O)(=O)c1ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000462257835 569052907 /nfs/dbraw/zinc/05/29/07/569052907.db2.gz JPYYPXAXVLDHOX-UZLBHIALSA-N 0 3 401.532 3.122 50 0 HGAAHN COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000000621893 569060216 /nfs/dbraw/zinc/06/02/16/569060216.db2.gz HSUGRBWQSSZJOP-RTWAWAEBSA-N 0 3 414.527 3.369 50 0 biogenic,fda HGAAHN COc1cccc(CN2CCC[C@]3(CCN(Cc4[nH]cc(C)c(=O)c4C)C3)C2=O)c1 ZINC000426442866 569073030 /nfs/dbraw/zinc/07/30/30/569073030.db2.gz HUTRPCBUPCJUPR-XMMPIXPASA-N 0 3 409.530 3.015 50 0 HGAAHN COc1ccc(OC[C@H](O)CNCCOc2ccccc2OC)c(C(C)(C)C)c1 ZINC000007015391 569200833 /nfs/dbraw/zinc/20/08/33/569200833.db2.gz AVSREIAJBVOXTD-QGZVFWFLSA-N 0 3 403.519 3.410 50 0 HGAAHN COc1cccc(CNC(=O)c2cccnc2N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065255810 569208078 /nfs/dbraw/zinc/20/80/78/569208078.db2.gz DPQJJBKQONXVLW-QFIPXVFZSA-N 0 3 402.498 3.171 50 0 HGAAHN CCN1CCC[C@H](NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000065497070 569232356 /nfs/dbraw/zinc/23/23/56/569232356.db2.gz SSNHPGYRRZDWGI-RDJZCZTQSA-N 0 3 409.372 3.059 50 0 HGAAHN COCCN1CC[C@H](CNC(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000065505299 569232967 /nfs/dbraw/zinc/23/29/67/569232967.db2.gz HVCHBEIWSQJAKX-MRXNPFEDSA-N 0 3 409.368 3.345 50 0 HGAAHN CCN(CC)CCN(CCC(F)(F)F)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000089968984 569270301 /nfs/dbraw/zinc/27/03/01/569270301.db2.gz HWXRBWSMSVEREI-UHFFFAOYSA-N 0 3 422.455 3.209 50 0 HGAAHN CC(C)(C)c1ccc(CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000017317430 569286719 /nfs/dbraw/zinc/28/67/19/569286719.db2.gz BEFZKGUPDFLJFE-UHFFFAOYSA-N 0 3 402.560 3.295 50 0 HGAAHN CN(C)[C@@H](CNC(=O)c1cccc(I)c1)Cc1ccccc1 ZINC000007683614 569300545 /nfs/dbraw/zinc/30/05/45/569300545.db2.gz CVYWFTVEPSYLII-QGZVFWFLSA-N 0 3 408.283 3.194 50 0 HGAAHN CC(C)N1CCN([C@H]2CCOC3(CCN(C(=O)CCc4ccccc4)CC3)C2)CC1 ZINC000581819825 569320865 /nfs/dbraw/zinc/32/08/65/569320865.db2.gz NDWGUKBXUHQDSO-QHCPKHFHSA-N 0 3 413.606 3.185 50 0 HGAAHN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1OC ZINC000002439941 569400258 /nfs/dbraw/zinc/40/02/58/569400258.db2.gz QMTZAOHVZIBENM-NRFANRHFSA-N 0 3 422.481 3.307 50 0 HGAAHN CN(C)[C@@]1(CNC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CCSC1 ZINC000079015204 569423779 /nfs/dbraw/zinc/42/37/79/569423779.db2.gz YLOCPYQYVGQEIJ-GOSISDBHSA-N 0 3 415.028 3.452 50 0 HGAAHN C[C@@H]1CN(CCCCNC(=O)C2(c3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000079050756 569425546 /nfs/dbraw/zinc/42/55/46/569425546.db2.gz KKBNLXVHYOBVHM-IYBDPMFKSA-N 0 3 409.368 3.486 50 0 HGAAHN C[C@@H]1CN(CCCCNC(=O)C2(c3ccc(Br)cc3)CC2)C[C@@H](C)O1 ZINC000079050767 569425551 /nfs/dbraw/zinc/42/55/51/569425551.db2.gz KKBNLXVHYOBVHM-HZPDHXFCSA-N 0 3 409.368 3.486 50 0 HGAAHN O=C(CN1CCC(CCc2ccc(O)cc2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000040050463 571143990 /nfs/dbraw/zinc/14/39/90/571143990.db2.gz POKNJVITGNFJOY-XMMPIXPASA-N 0 3 421.585 3.428 50 0 HGAAHN COCCN1CCc2c(cccc2-n2nnc(C(=O)NC3CCCCCC3)c2C)C1 ZINC000069815395 571245608 /nfs/dbraw/zinc/24/56/08/571245608.db2.gz DPNWSKXQWZHRKY-UHFFFAOYSA-N 0 3 411.550 3.033 50 0 HGAAHN COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N(C)C)c(OC)c1 ZINC000010333577 571300597 /nfs/dbraw/zinc/30/05/97/571300597.db2.gz SLFYQQYHFCJSMZ-NRFANRHFSA-N 0 3 421.497 3.215 50 0 HGAAHN Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCCN1CCc3ccccc3C1)CCO2 ZINC000006798180 132317163 /nfs/dbraw/zinc/31/71/63/132317163.db2.gz ZOIDFWBQAISPCJ-UHFFFAOYSA-N 0 3 421.541 3.065 50 0 HGAAHN C[C@H]1CN(C(=O)CCC(=O)NCCCN(C)Cc2ccccc2)c2ccccc2O1 ZINC000006798318 132317246 /nfs/dbraw/zinc/31/72/46/132317246.db2.gz BLVYWJDVOUPWFM-IBGZPJMESA-N 0 3 409.530 3.219 50 0 HGAAHN O=C(c1nccnc1-c1nc2ccccc2s1)N1CCN(c2ccncc2)CC1 ZINC000012785712 132367298 /nfs/dbraw/zinc/36/72/98/132367298.db2.gz UMGWWBKCTIPNQN-UHFFFAOYSA-N 0 3 402.483 3.111 50 0 HGAAHN CCN1C[C@@H](CN(C)CCCCN2C(=O)c3ccccc3C2=O)Oc2ccccc21 ZINC000024242052 132483057 /nfs/dbraw/zinc/48/30/57/132483057.db2.gz UWYIVKCWRLPDGQ-GOSISDBHSA-N 0 3 407.514 3.282 50 0 HGAAHN CC[C@H](CNC(=O)C(=O)Nc1ccccc1N1CCc2ccccc21)N1CCCC1 ZINC000041594152 522172565 /nfs/dbraw/zinc/17/25/65/522172565.db2.gz IDEOVMSPCOZPCZ-LJQANCHMSA-N 0 3 406.530 3.310 50 0 HGAAHN Cc1ccc(CN2CCC(CNC(=O)Cn3c4ccccc4nc(C)c3=O)CC2)cc1 ZINC000032974621 524437002 /nfs/dbraw/zinc/43/70/02/524437002.db2.gz OMWBMEPMWVSYHI-UHFFFAOYSA-N 0 3 418.541 3.042 50 0 HGAAHN Cc1ccc(-c2ccc(=O)n(CCC(=O)N3CCN(C4CCCCC4)CC3)n2)cc1 ZINC000041252820 525745143 /nfs/dbraw/zinc/74/51/43/525745143.db2.gz RTTIOKFJEWMQAY-UHFFFAOYSA-N 0 3 408.546 3.086 50 0 HGAAHN CC(C(=O)NC(C)(C)C)S(=O)(=O)Cc1csc(COc2ccc(F)cc2)n1 ZINC000046156811 557293524 /nfs/dbraw/zinc/29/35/24/557293524.db2.gz UQKLSAWDHNLHLR-LBPRGKRZSA-N 0 3 414.524 3.079 50 0 HGAAHN CCCn1nc(C(=O)NCCN2CCCCC2)cc1-c1ccc(OC)cc1OC ZINC000034902362 557481473 /nfs/dbraw/zinc/48/14/73/557481473.db2.gz XBMWFPSXKZMECQ-UHFFFAOYSA-N 0 3 400.523 3.193 50 0 HGAAHN CCN(CC)CCn1c2ccccc2n(C[C@@H](O)c2ccc(OC)c(OC)c2)c1=N ZINC000004599217 557571018 /nfs/dbraw/zinc/57/10/18/557571018.db2.gz IJVTWTIBZLNBPS-HXUWFJFHSA-N 0 3 412.534 3.015 50 0 HGAAHN CCOc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(OC)cc34)C2=O)cc1 ZINC000006662801 557712951 /nfs/dbraw/zinc/71/29/51/557712951.db2.gz AKURUVQMKBSIBU-OAQYLSRUSA-N 0 3 407.470 3.039 50 0 HGAAHN CCN1CCN(CCCNC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)CC1 ZINC000022795517 557822760 /nfs/dbraw/zinc/82/27/60/557822760.db2.gz YJHNIHFQZFJGAA-UHFFFAOYSA-N 0 3 406.530 3.176 50 0 HGAAHN COCC(=O)NC[C@H]1CCC2(CCN(Cc3c(OC)ccc4ccccc43)CC2)O1 ZINC000011786383 558276248 /nfs/dbraw/zinc/27/62/48/558276248.db2.gz NRTYATDCTNZDHB-LJQANCHMSA-N 0 3 412.530 3.125 50 0 HGAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2nc3ccccc3n2C)CC1 ZINC000011936159 558300302 /nfs/dbraw/zinc/30/03/02/558300302.db2.gz XGVZGZBZICWGMO-FQEVSTJZSA-N 0 3 411.594 3.166 50 0 HGAAHN C[C@]1(C2CCN(Cc3ccccc3)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O ZINC000011966525 558304296 /nfs/dbraw/zinc/30/42/96/558304296.db2.gz SYJZHSCGDOCLOJ-RUZDIDTESA-N 0 3 403.526 3.377 50 0 HGAAHN Cc1nccn1CCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2 ZINC000020202393 558346045 /nfs/dbraw/zinc/34/60/45/558346045.db2.gz ROGQACDQLWEXFP-QFIPXVFZSA-N 0 3 402.489 3.375 50 0 HGAAHN O=C1C[C@@H](c2cccc(Cl)c2)[C@@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 ZINC000020218667 558348441 /nfs/dbraw/zinc/34/84/41/558348441.db2.gz YACGSFQFKLDZPH-VXSCBNMQSA-N 0 3 420.900 3.302 50 0 HGAAHN COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(C2CCCCC2)CC1 ZINC000020391176 558359035 /nfs/dbraw/zinc/35/90/35/558359035.db2.gz UPPKYXOMLLZLLA-UHFFFAOYSA-N 0 3 412.534 3.152 50 0 HGAAHN CCOC(=O)C[C@@H]1CCCCN1Cc1c[nH]nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000012431263 558405770 /nfs/dbraw/zinc/40/57/70/558405770.db2.gz FPORDZIAUBVJRW-KRWDZBQOSA-N 0 3 417.506 3.410 50 0 HGAAHN CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CCN(Cc2cccs2)CC3)CC1 ZINC000012453837 558416621 /nfs/dbraw/zinc/41/66/21/558416621.db2.gz XQGZXVUCIHKJOB-SFHVURJKSA-N 0 3 405.564 3.087 50 0 HGAAHN CC(C)[C@H]1CN(C)CCN1Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000020863845 558417919 /nfs/dbraw/zinc/41/79/19/558417919.db2.gz XBLDVJXOGHROOX-OAQYLSRUSA-N 0 3 419.573 3.379 50 0 HGAAHN COC(=O)CC[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[C@H]1N1CCOCC1 ZINC000020906177 558421147 /nfs/dbraw/zinc/42/11/47/558421147.db2.gz KBMOGDOPPSXWBI-PKOBYXMFSA-N 0 3 414.468 3.181 50 0 HGAAHN Cc1cc(C)n(-c2ccc(F)cc2CN2CCN(C3CCCC3)[C@@H](CCO)C2)n1 ZINC000020994651 558426623 /nfs/dbraw/zinc/42/66/23/558426623.db2.gz BRTTXYSXBFTPOW-QFIPXVFZSA-N 0 3 400.542 3.439 50 0 HGAAHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CC(F)(F)F)C3)C2)c1OC ZINC000012585768 558433832 /nfs/dbraw/zinc/43/38/32/558433832.db2.gz ZRXCPARCNJKGSN-LJQANCHMSA-N 0 3 400.441 3.471 50 0 HGAAHN C[C@@H](NCc1ccccc1CN1CCOCC1)C(=O)Nc1ccccc1OC(F)F ZINC000022025097 558458751 /nfs/dbraw/zinc/45/87/51/558458751.db2.gz TZMVYBVXWZDFQZ-MRXNPFEDSA-N 0 3 419.472 3.237 50 0 HGAAHN FC(F)(F)c1ccc(CN2CCCN(c3nnnn3-c3ccccc3)CC2)cc1 ZINC000012805685 558473464 /nfs/dbraw/zinc/47/34/64/558473464.db2.gz IMOTZGQNYFMQHC-UHFFFAOYSA-N 0 3 402.424 3.393 50 0 HGAAHN CCc1ccc(CN2CCC[C@@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)cc1 ZINC000013545295 558537920 /nfs/dbraw/zinc/53/79/20/558537920.db2.gz YBFZLHSAEWNIAJ-FQEVSTJZSA-N 0 3 402.560 3.448 50 0 HGAAHN COc1cccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)c1 ZINC000023382150 558555523 /nfs/dbraw/zinc/55/55/23/558555523.db2.gz OUCCBZZXZNBTKX-XLIONFOSSA-N 0 3 420.469 3.140 50 0 HGAAHN CN(CCCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000014251511 558650095 /nfs/dbraw/zinc/65/00/95/558650095.db2.gz XSFZQFKIAXSQIO-UHFFFAOYSA-N 0 3 411.521 3.316 50 0 HGAAHN CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccc(O)cc1)CC2 ZINC000014742032 558667404 /nfs/dbraw/zinc/66/74/04/558667404.db2.gz XNIXNMXQTGFJFB-UHFFFAOYSA-N 0 3 423.513 3.220 50 0 HGAAHN CC1CCN([C@H](CNC(=O)CCn2cnc3ccccc3c2=O)c2cccs2)CC1 ZINC000027574900 558675526 /nfs/dbraw/zinc/67/55/26/558675526.db2.gz WKFUDRNZGGTMMH-HXUWFJFHSA-N 0 3 424.570 3.438 50 0 HGAAHN CC(C)C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(-c3ccco3)cc1)CC2 ZINC000014990556 558694299 /nfs/dbraw/zinc/69/42/99/558694299.db2.gz MLEGMBISNWCRQK-QGZVFWFLSA-N 0 3 407.518 3.430 50 0 HGAAHN CC(C)[C@H](CNC(=O)CCc1nc(-c2ccccn2)no1)N1CCc2ccccc2C1 ZINC000030637593 558734823 /nfs/dbraw/zinc/73/48/23/558734823.db2.gz BJHVXGXFFRVLKM-NRFANRHFSA-N 0 3 419.529 3.263 50 0 HGAAHN CSc1cccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c1 ZINC000033326778 558766958 /nfs/dbraw/zinc/76/69/58/558766958.db2.gz HIPDOQMEEOIUFI-UHFFFAOYSA-N 0 3 412.563 3.461 50 0 HGAAHN COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)ccc1O ZINC000016752087 558804995 /nfs/dbraw/zinc/80/49/95/558804995.db2.gz IYEDMHPOLNRHJP-NRFANRHFSA-N 0 3 422.481 3.313 50 0 HGAAHN COc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000016752961 558805237 /nfs/dbraw/zinc/80/52/37/558805237.db2.gz AEDICOFGHJTWSP-HXUWFJFHSA-N 0 3 410.445 3.438 50 0 HGAAHN Cc1cc2nc3sc(C(=O)NCCN(C)Cc4ccccc4)cc(=O)n3c2cc1C ZINC000033009091 558828353 /nfs/dbraw/zinc/82/83/53/558828353.db2.gz UQOPMVLUVDHVTM-UHFFFAOYSA-N 0 3 420.538 3.388 50 0 HGAAHN O=C(CN1CCC[C@H]1CN1CCC[C@@H]1CO)Nc1ccc(Cl)cc1C(F)(F)F ZINC000072313483 558840514 /nfs/dbraw/zinc/84/05/14/558840514.db2.gz XTVBQGINVZTBSJ-LSDHHAIUSA-N 0 3 419.875 3.218 50 0 HGAAHN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCCN3CCC(C)CC3)C2)s1 ZINC000033078444 558867918 /nfs/dbraw/zinc/86/79/18/558867918.db2.gz BTSJCHQWHGDTND-KRWDZBQOSA-N 0 3 415.607 3.318 50 0 HGAAHN O=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2cccc3nonc32)CC1 ZINC000055211354 558875974 /nfs/dbraw/zinc/87/59/74/558875974.db2.gz UIPWPURASHHPKU-UHFFFAOYSA-N 0 3 416.485 3.438 50 0 HGAAHN Cc1ccc(NC(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)cc1-n1cnnn1 ZINC000058134099 558900619 /nfs/dbraw/zinc/90/06/19/558900619.db2.gz DCCIOTALCKLVBY-QFIPXVFZSA-N 0 3 419.533 3.175 50 0 HGAAHN C[C@H]1CCN(C(=O)CN2CCC(CCN3CCOCC3)CC2)c2ccccc2S1 ZINC000058161531 558905733 /nfs/dbraw/zinc/90/57/33/558905733.db2.gz WIOAGRONJKKSSH-IBGZPJMESA-N 0 3 417.619 3.338 50 0 HGAAHN C[C@H]1CCCN1Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21 ZINC000071712025 558907174 /nfs/dbraw/zinc/90/71/74/558907174.db2.gz OFBQXGIJXWATCH-IBGZPJMESA-N 0 3 409.578 3.409 50 0 HGAAHN COC(=O)CCCNCc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000019535277 558913471 /nfs/dbraw/zinc/91/34/71/558913471.db2.gz BJVSVDMHTCSAOK-UHFFFAOYSA-N 0 3 420.941 3.437 50 0 HGAAHN COc1ccccc1C[C@H]1CCCN1CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000058441236 558927615 /nfs/dbraw/zinc/92/76/15/558927615.db2.gz KABBWVBJPYNDIN-OAQYLSRUSA-N 0 3 424.541 3.304 50 0 HGAAHN COc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c(C)c1 ZINC000065364274 558975422 /nfs/dbraw/zinc/97/54/22/558975422.db2.gz SIUIIEQRMKENDQ-UHFFFAOYSA-N 0 3 410.522 3.056 50 0 HGAAHN CCNC(=O)COc1ccc(CNc2cccc(N3CCN(CC4CC4)CC3)c2)cc1 ZINC000097020057 558987839 /nfs/dbraw/zinc/98/78/39/558987839.db2.gz WJDGYGQFWMRCGU-UHFFFAOYSA-N 0 3 422.573 3.346 50 0 HGAAHN O=C(c1cc(CN2CCC(Cc3ccccc3)CC2)on1)N1CCN2CCC[C@H]2C1 ZINC000067885891 558994330 /nfs/dbraw/zinc/99/43/30/558994330.db2.gz YFYHCYUNCCYFSK-NRFANRHFSA-N 0 3 408.546 3.050 50 0 HGAAHN CCN1CCC[C@@H]1CNC(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 ZINC000067883929 558994478 /nfs/dbraw/zinc/99/44/78/558994478.db2.gz OUEXXMSONYIILR-OAQYLSRUSA-N 0 3 410.562 3.343 50 0 HGAAHN CCC[C@H](N)C(=O)Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOC3=O)c12 ZINC000077455000 559005708 /nfs/dbraw/zinc/00/57/08/559005708.db2.gz QLWTZCJTRBTKMV-HNNXBMFYSA-N 0 3 411.437 3.187 50 0 HGAAHN Cc1noc(CN(C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)n1 ZINC000095531306 559087029 /nfs/dbraw/zinc/08/70/29/559087029.db2.gz YRZMSWSLNPLYIP-HXUWFJFHSA-N 0 3 402.514 3.410 50 0 HGAAHN CCN(CC)CCN(C(=O)c1ccnn1C)c1nc2c(s1)c(C)ccc2OC ZINC000011695051 559188532 /nfs/dbraw/zinc/18/85/32/559188532.db2.gz AUCXWMYESCDQEM-UHFFFAOYSA-N 0 3 401.536 3.335 50 0 HGAAHN CN(CCCNC(=O)c1cc2c(c3ccccc3[nH]c2=O)n1C)Cc1ccccc1 ZINC000004930665 559209576 /nfs/dbraw/zinc/20/95/76/559209576.db2.gz CQWSRWUYJKNYQO-UHFFFAOYSA-N 0 3 402.498 3.272 50 0 HGAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Cn1nnc(-c2ccccc2Cl)n1 ZINC000252430917 559277129 /nfs/dbraw/zinc/27/71/29/559277129.db2.gz SSDCVOWMGCLSRS-YLJYHZDGSA-N 0 3 422.920 3.136 50 0 HGAAHN CCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccc(C)c(F)c3)c(=O)c2C1 ZINC000062007131 560566301 /nfs/dbraw/zinc/56/63/01/560566301.db2.gz IECIWYDGKOSZRM-UHFFFAOYSA-N 0 3 420.488 3.375 50 0 HGAAHN CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3ccccc3C)c(=O)c2C1 ZINC000062007150 560566306 /nfs/dbraw/zinc/56/63/06/560566306.db2.gz LGMMCRIYNDAPSE-UHFFFAOYSA-N 0 3 420.488 3.375 50 0 HGAAHN COc1ccc(-c2noc3c(O)n(-c4ccc5ccccc5c4)c(O)c23)cc1OC ZINC000101315225 560791614 /nfs/dbraw/zinc/79/16/14/560791614.db2.gz FKCWRXQHFQSHKJ-CTNGQTDRSA-N 0 3 402.406 3.150 50 0 HGAAHN O=C(CN(C[C@H]1CCOC1)C1CC1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000106075428 560884477 /nfs/dbraw/zinc/88/44/77/560884477.db2.gz CXIZJYGEFJRNDW-UTKZUKDTSA-N 0 3 405.970 3.094 50 0 HGAAHN O=C1C[C@@H](c2ccc(Cl)cc2)[C@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 ZINC000221529409 568510006 /nfs/dbraw/zinc/51/00/06/568510006.db2.gz NBBYHVVEXVSNGZ-UVUJQTEASA-N 0 3 420.900 3.302 50 0 HGAAHN CCCC(=O)N1CCCC[C@@H]1C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000095457780 568618718 /nfs/dbraw/zinc/61/87/18/568618718.db2.gz PLMKWKXCCKJDKL-OAQYLSRUSA-N 0 3 400.567 3.328 50 0 HGAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(CN2C(=O)CSc3ncccc32)cc1 ZINC000020934589 568652039 /nfs/dbraw/zinc/65/20/39/568652039.db2.gz WVNZSYRVVSVTNR-QGZVFWFLSA-N 0 3 424.570 3.325 50 0 HGAAHN CCOc1ccc([C@@H](c2c(O)cc(C)n(CCOC)c2=O)N2CCCCC2)cc1 ZINC000021097998 568665239 /nfs/dbraw/zinc/66/52/39/568665239.db2.gz FKDQWQWWHDXZCN-QFIPXVFZSA-N 0 3 400.519 3.483 50 0 HGAAHN Cc1cc(OC(F)F)c(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)s1 ZINC000096013935 568685330 /nfs/dbraw/zinc/68/53/30/568685330.db2.gz NBXCOOBCEIJYDV-UHFFFAOYSA-N 0 3 401.523 3.148 50 0 HGAAHN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000025536111 568774603 /nfs/dbraw/zinc/77/46/03/568774603.db2.gz DFSVNQGRLZNUQZ-IFMALSPDSA-N 0 3 411.546 3.233 50 0 HGAAHN O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CCN2CCC[C@H]2C1 ZINC000002486598 568775317 /nfs/dbraw/zinc/77/53/17/568775317.db2.gz YDPRVLBFSLWEOG-LBPRGKRZSA-N 0 3 421.448 3.397 50 0 HGAAHN CN(CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)Cc1ccccc1 ZINC000002964669 568830779 /nfs/dbraw/zinc/83/07/79/568830779.db2.gz XWLJUKVBSDKQKV-INIZCTEOSA-N 0 3 403.885 3.080 50 0 HGAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000003043740 568848161 /nfs/dbraw/zinc/84/81/61/568848161.db2.gz ZCXSKZVVSVSTFP-QGZVFWFLSA-N 0 3 408.527 3.262 50 0 HGAAHN Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000012552186 568853589 /nfs/dbraw/zinc/85/35/89/568853589.db2.gz IFIWICDSUFFTDH-HXUWFJFHSA-N 0 3 421.570 3.323 50 0 HGAAHN CCN1CCN(c2ccc(NC(=O)N3CCN(c4ccccc4O)CC3)cc2C)CC1 ZINC000057866351 568864479 /nfs/dbraw/zinc/86/44/79/568864479.db2.gz STWOERCBVHBHLV-UHFFFAOYSA-N 0 3 423.561 3.197 50 0 HGAAHN CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1cccn1-c1ccccn1)CCO2 ZINC000299757112 568872895 /nfs/dbraw/zinc/87/28/95/568872895.db2.gz HVGNCEDIHVQUKW-XMMPIXPASA-N 0 3 406.530 3.036 50 0 HGAAHN O=C1CCN(Cc2cccc(OCc3ccccc3)c2)CCN1CCN1CCCC1 ZINC000299765105 568873513 /nfs/dbraw/zinc/87/35/13/568873513.db2.gz VRAXFSZPLCOIOP-UHFFFAOYSA-N 0 3 407.558 3.396 50 0 HGAAHN COc1ccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CCC2=O)cc1 ZINC000299783788 568875441 /nfs/dbraw/zinc/87/54/41/568875441.db2.gz WYUZEGJMIAXFNR-UHFFFAOYSA-N 0 3 407.558 3.394 50 0 HGAAHN CCC(CC)[C@@H](CNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O)N1CCCC1 ZINC000078413813 568884396 /nfs/dbraw/zinc/88/43/96/568884396.db2.gz WHLDQVWCFXPMSJ-OPAMFIHVSA-N 0 3 421.607 3.163 50 0 HGAAHN CCN(CC)[C@H](CNC(=O)CCCNC(=O)c1ccsc1)c1cccc(OC)c1 ZINC000012728438 568920911 /nfs/dbraw/zinc/92/09/11/568920911.db2.gz WFXPTHDJAWTIEZ-HXUWFJFHSA-N 0 3 417.575 3.466 50 0 HGAAHN Cc1ccc(CCN2C[C@H](C(=O)NCCCN(C)Cc3ccccc3)CC2=O)cc1 ZINC000004101923 568942983 /nfs/dbraw/zinc/94/29/83/568942983.db2.gz OWTGVWTZHGSJEY-HSZRJFAPSA-N 0 3 407.558 3.024 50 0 HGAAHN O=C(CN1c2ccccc2Oc2ncccc2C1=O)N1CCN(C2CCCCC2)CC1 ZINC000015679959 568967085 /nfs/dbraw/zinc/96/70/85/568967085.db2.gz WSWWKOWPEJUUAR-UHFFFAOYSA-N 0 3 420.513 3.311 50 0 HGAAHN COc1ccc2c(C)c(CCC(=O)N[C@H]3CCN(Cc4ccccc4)C3)c(=O)oc2c1 ZINC000012808018 568980363 /nfs/dbraw/zinc/98/03/63/568980363.db2.gz RLVJVAAKZFIWAJ-IBGZPJMESA-N 0 3 420.509 3.433 50 0 HGAAHN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)ccc2S1 ZINC000015730462 568981006 /nfs/dbraw/zinc/98/10/06/568981006.db2.gz SBASDDVKESAWDR-HNNXBMFYSA-N 0 3 423.604 3.148 50 0 HGAAHN CN(C)[C@@H](CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000008230502 568983727 /nfs/dbraw/zinc/98/37/27/568983727.db2.gz FEAMZJKALXCEPB-ZVQQDINOSA-N 0 3 405.542 3.358 50 0 HGAAHN CC[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2nc(NCc3ccc(Cl)cc3)[n-]c2n1 ZINC000101795870 569019014 /nfs/dbraw/zinc/01/90/14/569019014.db2.gz DZJNVTZDDAFDKE-KRWDZBQOSA-N 0 3 400.914 3.448 50 0 HGAAHN CC[C@H]1CCCC[N@H+]1Cc1cc(=O)n2nc(NCc3ccc(Cl)cc3)[n-]c2n1 ZINC000101795870 569019015 /nfs/dbraw/zinc/01/90/15/569019015.db2.gz DZJNVTZDDAFDKE-KRWDZBQOSA-N 0 3 400.914 3.448 50 0 HGAAHN CCc1ccc([C@H](CNC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)N(C)C)cc1 ZINC000012909409 569021724 /nfs/dbraw/zinc/02/17/24/569021724.db2.gz VBSVXWMWHDGVOV-UPVQGACJSA-N 0 3 409.574 3.351 50 0 HGAAHN C[C@H]1CCCCN1CCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000035398327 569035183 /nfs/dbraw/zinc/03/51/83/569035183.db2.gz XOFBJYSSXRMEMY-IBGZPJMESA-N 0 3 407.562 3.351 50 0 HGAAHN CCOC(=O)C1C(CN2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000239306197 569054148 /nfs/dbraw/zinc/05/41/48/569054148.db2.gz GNKWWMYSQVHRQX-LPMFXHHGSA-N 0 3 405.926 3.489 50 0 HGAAHN FC(F)(F)c1cccc(-c2noc(CN3CCCN(C[C@H]4CCCO4)CC3)n2)c1 ZINC000241383266 569054742 /nfs/dbraw/zinc/05/47/42/569054742.db2.gz MTTGIXKYTCIZJO-QGZVFWFLSA-N 0 3 410.440 3.442 50 0 HGAAHN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(CN(C[C@H]2CCCCO2)C(C)C)cc1 ZINC000241776889 569054837 /nfs/dbraw/zinc/05/48/37/569054837.db2.gz RTIZAPRRXLLGSQ-NHCUHLMSSA-N 0 3 416.566 3.208 50 0 HGAAHN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(CN(C[C@H]2CCCCO2)C(C)C)cc1 ZINC000241776890 569054891 /nfs/dbraw/zinc/05/48/91/569054891.db2.gz RTIZAPRRXLLGSQ-RTWAWAEBSA-N 0 3 416.566 3.208 50 0 HGAAHN CN(C)[C@@H](CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 ZINC000016599002 569060455 /nfs/dbraw/zinc/06/04/55/569060455.db2.gz HIWFJRKLLVHKOM-KRWDZBQOSA-N 0 3 424.570 3.215 50 0 HGAAHN Cc1nc2cc(C(=O)NCCN3CCCC[C@H]3C)ccc2n(Cc2ccccc2)c1=O ZINC000064859414 569109472 /nfs/dbraw/zinc/10/94/72/569109472.db2.gz MLFPSCLCADDHRP-GOSISDBHSA-N 0 3 418.541 3.357 50 0 HGAAHN Cc1nn([C@H](C)C(=O)NCCN2CCCCCC2)c(=O)c2c3ccccc3sc21 ZINC000006799187 569126243 /nfs/dbraw/zinc/12/62/43/569126243.db2.gz ATVTXCGSUXCKIU-MRXNPFEDSA-N 0 3 412.559 3.473 50 0 HGAAHN C[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036309086 569129876 /nfs/dbraw/zinc/12/98/76/569129876.db2.gz YJMIRHVDCFQELY-UTKZUKDTSA-N 0 3 414.571 3.346 50 0 HGAAHN Cc1ccc(C(=O)N2[C@H](C(=O)NCCN(C)C)CS[C@H]2C2CCCCC2)cc1 ZINC000006838351 569149731 /nfs/dbraw/zinc/14/97/31/569149731.db2.gz URVPKNCRRFHEBR-UGKGYDQZSA-N 0 3 403.592 3.137 50 0 HGAAHN CCCCN(CC)CCNC(=O)c1ccc(C[S@](=O)c2ccc(OC)cc2)o1 ZINC000006895627 569175477 /nfs/dbraw/zinc/17/54/77/569175477.db2.gz UGJYXBNEQATXKI-MUUNZHRXSA-N 0 3 406.548 3.448 50 0 HGAAHN CCCNc1cc(N2CCC(CCC(=O)N3CCN(CC(C)C)CC3)CC2)ncn1 ZINC000065274185 569214994 /nfs/dbraw/zinc/21/49/94/569214994.db2.gz YUNNPYZNJFAYJO-UHFFFAOYSA-N 0 3 416.614 3.095 50 0 HGAAHN O=C(CC[C@H](O)c1ccc2c(c1)CCC(=O)N2)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000170597791 569242209 /nfs/dbraw/zinc/24/22/09/569242209.db2.gz WDJHVOIQPUXOTG-GGAORHGYSA-N 0 3 421.541 3.166 50 0 HGAAHN CN(C)CCOc1cccc(CC(=O)Nc2cccc(Cl)c2N2CCOCC2)c1 ZINC000170600638 569243057 /nfs/dbraw/zinc/24/30/57/569243057.db2.gz UXZIQPULWDSXGS-UHFFFAOYSA-N 0 3 417.937 3.298 50 0 HGAAHN CN(C)CCNc1nc2nn(Cc3ccccc3)c(N)c2c(-c2cccc(F)c2F)n1 ZINC000037361495 569283716 /nfs/dbraw/zinc/28/37/16/569283716.db2.gz GNZAXIRKRKANJY-UHFFFAOYSA-N 0 3 423.471 3.376 50 0 HGAAHN CC(C)Cn1nc(C(=O)N(C)CCCN(C)Cc2ccncc2)c2ccccc2c1=O ZINC000328591890 569415159 /nfs/dbraw/zinc/41/51/59/569415159.db2.gz MOUOKRXZZQHCLZ-UHFFFAOYSA-N 0 3 421.545 3.042 50 0 HGAAHN CCN(CC)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1ccsc1 ZINC000040089479 571159478 /nfs/dbraw/zinc/15/94/78/571159478.db2.gz CMCOUZWKSZPNGS-APWZRJJASA-N 0 3 403.548 3.393 50 0 HGAAHN O=C(CCN1CCC(C(=O)NCCc2ccccc2F)CC1)Nc1ccccc1F ZINC000040120653 571176680 /nfs/dbraw/zinc/17/66/80/571176680.db2.gz QLXHANBTVFPXBZ-UHFFFAOYSA-N 0 3 415.484 3.364 50 0 HGAAHN CN(C)CCN(C(=O)c1cn(-c2ccccc2)nn1)c1cccc(Br)c1 ZINC000040157911 571204377 /nfs/dbraw/zinc/20/43/77/571204377.db2.gz GAODZEGQEVIDKN-UHFFFAOYSA-N 0 3 414.307 3.238 50 0 HGAAHN O=C(NCC1CCN(c2ccncc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000070896194 571281077 /nfs/dbraw/zinc/28/10/77/571281077.db2.gz AQWMOPCKXZNYPW-UHFFFAOYSA-N 0 3 406.408 3.072 50 0 HGAAHN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000002280005 132251409 /nfs/dbraw/zinc/25/14/09/132251409.db2.gz ZXRFJVDLJPFUEW-UHFFFAOYSA-N 0 3 420.513 3.414 50 0 HGAAHN COc1ccccc1[C@H]1[C@@H](C(=O)NCCN(C)C)CCC(=O)N1c1ccc(C)cc1 ZINC000007987384 132326672 /nfs/dbraw/zinc/32/66/72/132326672.db2.gz NNDOECCHAVBTMV-REWPJTCUSA-N 0 3 409.530 3.166 50 0 HGAAHN O[C@H](COc1ccc(CN2CCN(c3ccccc3)CC2)cc1)CN1CCCCC1 ZINC000011667619 132349095 /nfs/dbraw/zinc/34/90/95/132349095.db2.gz PIDITBXHUCRDFI-DEOSSOPVSA-N 0 3 409.574 3.234 50 0 HGAAHN c1ccc(N2CCN(Cc3ccc4c(c3)CN(C3CCSCC3)CCO4)CC2)nc1 ZINC000011911131 132352162 /nfs/dbraw/zinc/35/21/62/132352162.db2.gz QQGIBJQOLFXTQN-UHFFFAOYSA-N 0 3 424.614 3.494 50 0 HGAAHN CN(CCc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(N3CCOCC3)c2)C1 ZINC000011936884 132352432 /nfs/dbraw/zinc/35/24/32/132352432.db2.gz UPRWDFFFWPSTNP-DEOSSOPVSA-N 0 3 407.558 3.302 50 0 HGAAHN Cc1cc(C)nc(N2CCC(CCC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)n1 ZINC000012574770 132364450 /nfs/dbraw/zinc/36/44/50/132364450.db2.gz DSQOCKVFRGGSFQ-HSZRJFAPSA-N 0 3 421.589 3.481 50 0 HGAAHN CN(C)[C@@H]1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000040355530 522053800 /nfs/dbraw/zinc/05/38/00/522053800.db2.gz KEHGMNASPBAYFC-LLVKDONJSA-N 0 3 413.330 3.478 50 0 HGAAHN COc1ccc(-n2cc(CN(C)CCN3CCOCC3)c(-c3cccc(F)c3)n2)cc1 ZINC000020536691 523329749 /nfs/dbraw/zinc/32/97/49/523329749.db2.gz NIYRCYDBIPCLTD-UHFFFAOYSA-N 0 3 424.520 3.451 50 0 HGAAHN CN(C)CCN(C)C(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355538 524061287 /nfs/dbraw/zinc/06/12/87/524061287.db2.gz YPHKOLVSRAHTHR-UHFFFAOYSA-N 0 3 401.319 3.336 50 0 HGAAHN Cc1cccc2c(=O)n(CCCC(=O)N[C@H]3CCCN(Cc4ccccc4)C3)cnc12 ZINC000032912080 524926750 /nfs/dbraw/zinc/92/67/50/524926750.db2.gz JNYXSSIQONWVBN-NRFANRHFSA-N 0 3 418.541 3.266 50 0 HGAAHN COc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N(C)C)cc1 ZINC000032593959 525357561 /nfs/dbraw/zinc/35/75/61/525357561.db2.gz OMRDYYXJULKBAJ-IBGZPJMESA-N 0 3 423.469 3.154 50 0 HGAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032873760 527046229 /nfs/dbraw/zinc/04/62/29/527046229.db2.gz SQLQDFGOPBPPBE-UNMCSNQZSA-N 0 3 409.505 3.069 50 0 HGAAHN Cc1nn(-c2ccc(C(=O)NCCN3CCCCCC3)cc2)cc1NC(=O)C1CC1 ZINC000040455866 527521042 /nfs/dbraw/zinc/52/10/42/527521042.db2.gz MSRNAOSBNBAAGZ-UHFFFAOYSA-N 0 3 409.534 3.135 50 0 HGAAHN Cc1ccccc1OC[C@H](O)Cn1c2ccccc2n(CCN2CCCCC2)c1=N ZINC000001273570 557253283 /nfs/dbraw/zinc/25/32/83/557253283.db2.gz JSWWJFBOMZWQSQ-HXUWFJFHSA-N 0 3 408.546 3.156 50 0 HGAAHN CCN1CCN(C(=O)c2ccc(CN3CCN(c4ccc(C)cc4)CC3)cc2)CC1 ZINC000034668271 557361655 /nfs/dbraw/zinc/36/16/55/557361655.db2.gz SMZNTOCOJULDFJ-UHFFFAOYSA-N 0 3 406.574 3.095 50 0 HGAAHN CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCCN1CCCCC1 ZINC000004918155 557614316 /nfs/dbraw/zinc/61/43/16/557614316.db2.gz DBKIVAXXPXBDSK-QGZVFWFLSA-N 0 3 416.591 3.279 50 0 HGAAHN Cn1nnnc1SCCNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000005205743 557640154 /nfs/dbraw/zinc/64/01/54/557640154.db2.gz MMVGFSQEJIRVCU-UHFFFAOYSA-N 0 3 407.902 3.464 50 0 HGAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccc(OC)cc2OC)cc1 ZINC000008714246 557800863 /nfs/dbraw/zinc/80/08/63/557800863.db2.gz DMBQTZJKUPKOOG-UHFFFAOYSA-N 0 3 400.475 3.455 50 0 HGAAHN COc1ccc(CNCc2ccc(F)c(F)c2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000011764532 558273657 /nfs/dbraw/zinc/27/36/57/558273657.db2.gz BVAUKCJFARKTPQ-IBGZPJMESA-N 0 3 420.500 3.489 50 0 HGAAHN COc1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000019817525 558287944 /nfs/dbraw/zinc/28/79/44/558287944.db2.gz RDKDDEUEQQYNOC-XLIONFOSSA-N 0 3 420.469 3.140 50 0 HGAAHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccc(F)cc1 ZINC000019819130 558289284 /nfs/dbraw/zinc/28/92/84/558289284.db2.gz FGIXFPYIJVWSCN-KRWDZBQOSA-N 0 3 400.381 3.403 50 0 HGAAHN COc1ccc(CNCc2cc(F)ccc2F)cc1OC[C@@H](O)CN1CCCCC1 ZINC000011878630 558293105 /nfs/dbraw/zinc/29/31/05/558293105.db2.gz BMMGKIZZNQCDGA-FQEVSTJZSA-N 0 3 420.500 3.489 50 0 HGAAHN COC(=O)c1ccc(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cc1 ZINC000019865629 558298889 /nfs/dbraw/zinc/29/88/89/558298889.db2.gz CAEDPSCGYQYFGJ-OAQYLSRUSA-N 0 3 411.521 3.399 50 0 HGAAHN COCCNC(=O)c1cccc(OC2CCN([C@H](C)COc3ccccc3)CC2)c1 ZINC000012050660 558313797 /nfs/dbraw/zinc/31/37/97/558313797.db2.gz ZNXSZVFPCBIELQ-LJQANCHMSA-N 0 3 412.530 3.374 50 0 HGAAHN CC1(C)C[C@@H](N2C(=O)CC[C@@H]2CCNCc2cc3c(cc2Cl)OCO3)CCO1 ZINC000012052122 558314304 /nfs/dbraw/zinc/31/43/04/558314304.db2.gz SFIHXFZBAUZLMB-CVEARBPZSA-N 0 3 408.926 3.497 50 0 HGAAHN CC(=O)CCC(=O)N(C[C@@H]1CCCO1)CC1CCN(C2Cc3ccccc3C2)CC1 ZINC000012093307 558324659 /nfs/dbraw/zinc/32/46/59/558324659.db2.gz RXYKDVBOPSZVLU-DEOSSOPVSA-N 0 3 412.574 3.243 50 0 HGAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(F)cc1 ZINC000020103483 558332558 /nfs/dbraw/zinc/33/25/58/558332558.db2.gz AEJFEVDVBWPYAD-VQIMIIECSA-N 0 3 408.433 3.271 50 0 HGAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(F)cc1 ZINC000020103485 558332605 /nfs/dbraw/zinc/33/26/05/558332605.db2.gz AEJFEVDVBWPYAD-APWZRJJASA-N 0 3 408.433 3.271 50 0 HGAAHN OCC[C@H]1CN(Cc2c[nH]nc2-c2cccc(F)c2)CCN1CCc1ccccc1 ZINC000020208027 558347175 /nfs/dbraw/zinc/34/71/75/558347175.db2.gz HPVYDAIYVOGLBM-QHCPKHFHSA-N 0 3 408.521 3.327 50 0 HGAAHN COc1cccc(-c2nn(-c3ccccc3)cc2CN(C)CCN2CCOCC2)c1 ZINC000020271698 558353096 /nfs/dbraw/zinc/35/30/96/558353096.db2.gz XSPLBICMFOKPGT-UHFFFAOYSA-N 0 3 406.530 3.312 50 0 HGAAHN CN(Cc1cnc(N2CCOCC2)s1)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000020782954 558413199 /nfs/dbraw/zinc/41/31/99/558413199.db2.gz RKDUHMLSVWGTNS-FQEVSTJZSA-N 0 3 412.603 3.043 50 0 HGAAHN CCOC(=O)[C@H]1CCCN(Cc2cc3ccc(F)cc3n(Cc3ccncc3)c2=O)C1 ZINC000012452035 558416153 /nfs/dbraw/zinc/41/61/53/558416153.db2.gz SDTMPVAVISFPQK-IBGZPJMESA-N 0 3 423.488 3.359 50 0 HGAAHN CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CCN(Cc2cccs2)CC3)CC1 ZINC000012453839 558416636 /nfs/dbraw/zinc/41/66/36/558416636.db2.gz XQGZXVUCIHKJOB-GOSISDBHSA-N 0 3 405.564 3.087 50 0 HGAAHN CCn1nc(C)c(CN2CCC[C@H](CNC(=O)c3cccc(OC)c3OC)C2)c1C ZINC000012459755 558418774 /nfs/dbraw/zinc/41/87/74/558418774.db2.gz RMXBSCWMKVOEDJ-GOSISDBHSA-N 0 3 414.550 3.179 50 0 HGAAHN OCC[C@H]1CN(Cc2cccn2-c2ccccn2)CCN1CCCc1ccccc1 ZINC000020999523 558428145 /nfs/dbraw/zinc/42/81/45/558428145.db2.gz FLEIRCGQUJPVGX-QHCPKHFHSA-N 0 3 404.558 3.374 50 0 HGAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)C1=C(C)OCCO1 ZINC000012716000 558455205 /nfs/dbraw/zinc/45/52/05/558455205.db2.gz QKAICAXVWIDWPR-FQEVSTJZSA-N 0 3 402.535 3.077 50 0 HGAAHN COc1ccc(-n2cc(CN3CCC[C@@H](C(N)=O)C3)c(-c3cccc(F)c3)n2)cc1 ZINC000012746111 558458172 /nfs/dbraw/zinc/45/81/72/558458172.db2.gz QVOOCEXZRGJUIY-QGZVFWFLSA-N 0 3 408.477 3.384 50 0 HGAAHN COc1ccc(CN2CCSCC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012754989 558459856 /nfs/dbraw/zinc/45/98/56/558459856.db2.gz HPWABOBNVGSHDH-NRFANRHFSA-N 0 3 416.587 3.116 50 0 HGAAHN COc1ccc(CN2CCSCC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012754995 558459920 /nfs/dbraw/zinc/45/99/20/558459920.db2.gz HPWABOBNVGSHDH-OAQYLSRUSA-N 0 3 416.587 3.116 50 0 HGAAHN COc1ccc([C@H](CNCc2ccc(OC)c(OC(F)F)c2)N2CCOCC2)cc1 ZINC000022789514 558511806 /nfs/dbraw/zinc/51/18/06/558511806.db2.gz DBXYBWASSMUFAY-IBGZPJMESA-N 0 3 422.472 3.468 50 0 HGAAHN CCc1ccc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000023375007 558554493 /nfs/dbraw/zinc/55/44/93/558554493.db2.gz CABYTVMWCWYOSE-FQEVSTJZSA-N 0 3 411.546 3.353 50 0 HGAAHN Cc1cccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)c1 ZINC000023382126 558555456 /nfs/dbraw/zinc/55/54/56/558555456.db2.gz SNZBZXDODVTAOT-PXNSSMCTSA-N 0 3 404.470 3.440 50 0 HGAAHN O=C(CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc(F)c1 ZINC000023382156 558555518 /nfs/dbraw/zinc/55/55/18/558555518.db2.gz YUBFEJKUTKNPGE-LPHOPBHVSA-N 0 3 408.433 3.271 50 0 HGAAHN O=C(CN1CCN2CCC[C@@H]2C1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000023477217 558559508 /nfs/dbraw/zinc/55/95/08/558559508.db2.gz ALOYOTUGGBJXNF-OAHLLOKOSA-N 0 3 421.364 3.291 50 0 HGAAHN COc1ccc(CN(C)C[C@@H](O)COc2cccc(Br)c2)cc1OC ZINC000014245977 558646969 /nfs/dbraw/zinc/64/69/69/558646969.db2.gz MTBPKQILBWFYII-MRXNPFEDSA-N 0 3 410.308 3.338 50 0 HGAAHN CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cccc(C)n1)CC2 ZINC000014530899 558655852 /nfs/dbraw/zinc/65/58/52/558655852.db2.gz WSSRVUCPEPCNEB-UHFFFAOYSA-N 0 3 418.541 3.176 50 0 HGAAHN CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC000014536021 558658287 /nfs/dbraw/zinc/65/82/87/558658287.db2.gz BOZRASHWPMIBQT-UHFFFAOYSA-N 0 3 417.513 3.382 50 0 HGAAHN CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3ccc(C(=O)OC)cc3)CC2)C1=O ZINC000014731296 558665259 /nfs/dbraw/zinc/66/52/59/558665259.db2.gz IHYNZKWADZTOMV-UHFFFAOYSA-N 0 3 415.534 3.138 50 0 HGAAHN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](NCc1cc(F)ccc1F)CC2 ZINC000014742122 558667341 /nfs/dbraw/zinc/66/73/41/558667341.db2.gz YJRHMOOWQGGFGZ-INIZCTEOSA-N 0 3 414.456 3.211 50 0 HGAAHN Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H](NCc1cccc(F)c1)C2 ZINC000014742490 558667594 /nfs/dbraw/zinc/66/75/94/558667594.db2.gz PFQXNEYZSWOOEC-OAQYLSRUSA-N 0 3 418.516 3.405 50 0 HGAAHN Cc1c(CN2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3CCC(C)C)cnn1C ZINC000014745801 558668954 /nfs/dbraw/zinc/66/89/54/558668954.db2.gz XQXHCIXDTRWZPJ-UHFFFAOYSA-N 0 3 403.571 3.029 50 0 HGAAHN COc1ccccc1/C=C/CN1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2C ZINC000014748028 558669781 /nfs/dbraw/zinc/66/97/81/558669781.db2.gz VHGXGXADLTVCTI-RMKNXTFCSA-N 0 3 420.513 3.032 50 0 HGAAHN Cc1cc(O[C@@H](C)C(=O)NCC2(N3CCN(C)CC3)CCCCC2)ccc1Cl ZINC000027744314 558681101 /nfs/dbraw/zinc/68/11/01/558681101.db2.gz OQNPEZFMHQZZMC-SFHVURJKSA-N 0 3 407.986 3.482 50 0 HGAAHN COc1ccc(C(=O)N[C@@H](C)c2cn(C)nc2C)cc1OC1CCN(C(C)C)CC1 ZINC000014962111 558684398 /nfs/dbraw/zinc/68/43/98/558684398.db2.gz CLAJJGGYTPEMMT-INIZCTEOSA-N 0 3 414.550 3.480 50 0 HGAAHN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)[C@@H]2CCCCCN2C)CC1 ZINC000014971119 558687251 /nfs/dbraw/zinc/68/72/51/558687251.db2.gz APANZZFAZYPOBH-NRFANRHFSA-N 0 3 416.562 3.284 50 0 HGAAHN C[C@]1(COC(=O)CCNC(=O)OCC(F)(F)F)CCCN1Cc1ccccc1 ZINC000072310751 558777812 /nfs/dbraw/zinc/77/78/12/558777812.db2.gz MJCSJXZMMZAHSV-GOSISDBHSA-N 0 3 402.413 3.263 50 0 HGAAHN COc1ccc(CN2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1OC ZINC000004707025 558780667 /nfs/dbraw/zinc/78/06/67/558780667.db2.gz CNOWOTBYCXKDFV-UHFFFAOYSA-N 0 3 423.557 3.265 50 0 HGAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(I)cc1 ZINC000032986433 558806524 /nfs/dbraw/zinc/80/65/24/558806524.db2.gz MFBBCGKWKPHSDO-QGZVFWFLSA-N 0 3 406.267 3.296 50 0 HGAAHN Cc1cc2nc(C)c(=O)n(CCC(=O)NCCCN(C)Cc3ccccc3)c2cc1C ZINC000033005663 558827483 /nfs/dbraw/zinc/82/74/83/558827483.db2.gz UMJAXQJNNNFUQC-UHFFFAOYSA-N 0 3 420.557 3.350 50 0 HGAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(OC)cc2OC)C1 ZINC000046030434 558839345 /nfs/dbraw/zinc/83/93/45/558839345.db2.gz VOVOVZUFWRNSMP-INIZCTEOSA-N 0 3 400.523 3.174 50 0 HGAAHN Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)[C@]21N=C(Nc2ccccc2)NC(=N)N1 ZINC000019320016 558867395 /nfs/dbraw/zinc/86/73/95/558867395.db2.gz GJBCCQHRICACIC-QKFKETGDSA-N 0 3 402.502 3.166 50 0 HGAAHN COc1ccc(CN(C)Cc2nccs2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000055242843 558877056 /nfs/dbraw/zinc/87/70/56/558877056.db2.gz KSTJAIDYOBHNEE-SFHVURJKSA-N 0 3 405.564 3.009 50 0 HGAAHN CC(C)N1C[C@H](CCN2CCN(C)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000071769347 558910889 /nfs/dbraw/zinc/91/08/89/558910889.db2.gz QVBQPQLUNIZAEJ-DEOSSOPVSA-N 0 3 405.586 3.477 50 0 HGAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000065362231 558972981 /nfs/dbraw/zinc/97/29/81/558972981.db2.gz ZPBOIVJUROSDOO-UHFFFAOYSA-N 0 3 401.514 3.480 50 0 HGAAHN CCNC(=O)N1CCC[C@H](c2cccc(C(=O)NCCN3CCCC[C@@H]3C)c2)C1 ZINC000033264214 558984695 /nfs/dbraw/zinc/98/46/95/558984695.db2.gz PEOVBAMEGAMIDK-RXVVDRJESA-N 0 3 400.567 3.200 50 0 HGAAHN Cc1cc(I)ccc1NC(=O)CN(CCO)C1CCCCC1 ZINC000096979747 559015534 /nfs/dbraw/zinc/01/55/34/559015534.db2.gz NGTJOHBVSUZENR-UHFFFAOYSA-N 0 3 416.303 3.165 50 0 HGAAHN COCC(=O)N1CCc2[nH]cnc2C12CCN(C/C=C(\C)CCC=C(C)C)CC2 ZINC000095497590 559081658 /nfs/dbraw/zinc/08/16/58/559081658.db2.gz ILZULKFTTHSIFO-UFWORHAWSA-N 0 3 400.567 3.425 50 0 HGAAHN COCC(=O)N1CCc2nc[nH]c2C12CCN(C/C=C(\C)CCC=C(C)C)CC2 ZINC000095497590 559081660 /nfs/dbraw/zinc/08/16/60/559081660.db2.gz ILZULKFTTHSIFO-UFWORHAWSA-N 0 3 400.567 3.425 50 0 HGAAHN Cc1ocnc1C(=O)N(CCN(C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000095505644 559083073 /nfs/dbraw/zinc/08/30/73/559083073.db2.gz GWHPAXRHRUVVJE-GOSISDBHSA-N 0 3 402.514 3.038 50 0 HGAAHN COc1cc(C(C)=O)ccc1OCC(=O)NC1CCN(Cc2cccc(C)c2)CC1 ZINC000060845408 559119710 /nfs/dbraw/zinc/11/97/10/559119710.db2.gz LVZZRJKIXKITJZ-UHFFFAOYSA-N 0 3 410.514 3.366 50 0 HGAAHN COc1ccccc1Nc1nnc(CC(=O)N2CCN(C3CCCCC3)CC2)s1 ZINC000062007195 560566330 /nfs/dbraw/zinc/56/63/30/560566330.db2.gz IJCQQQIWURLFFO-UHFFFAOYSA-N 0 3 415.563 3.310 50 0 HGAAHN CCc1cccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccccc2)CCN(CC)C3)c1 ZINC000062007136 560566379 /nfs/dbraw/zinc/56/63/79/560566379.db2.gz MISMGEUZMJYXNE-UHFFFAOYSA-N 0 3 416.525 3.489 50 0 HGAAHN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(F)cc2)N(CCCN(C)C)C1=O ZINC000005351834 560569123 /nfs/dbraw/zinc/56/91/23/560569123.db2.gz MTJMJLUGOBMOOU-HXUWFJFHSA-N 0 3 410.445 3.438 50 0 HGAAHN Cc1ccc2c(CC(=O)NCc3ccc(N4CCCN(C)CC4)nc3)coc2c1C ZINC000048290800 568435247 /nfs/dbraw/zinc/43/52/47/568435247.db2.gz LDXHFXOYFSSFDD-UHFFFAOYSA-N 0 3 406.530 3.445 50 0 HGAAHN FC(F)(F)c1cccc(-c2noc(CN3CCCN(C[C@@H]4CCCO4)CC3)n2)c1 ZINC000048290946 568435338 /nfs/dbraw/zinc/43/53/38/568435338.db2.gz MTTGIXKYTCIZJO-KRWDZBQOSA-N 0 3 410.440 3.442 50 0 HGAAHN CC(C)S(=O)(=O)c1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000049675540 568453106 /nfs/dbraw/zinc/45/31/06/568453106.db2.gz TWKVOPMNBHTLNO-UHFFFAOYSA-N 0 3 400.544 3.047 50 0 HGAAHN O=C1C[C@H](c2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@H]1[C@H]1NCCc2ccccc21 ZINC000049772132 568453338 /nfs/dbraw/zinc/45/33/38/568453338.db2.gz YACGSFQFKLDZPH-YJMBLLCNSA-N 0 3 420.900 3.302 50 0 HGAAHN O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CCC(c2nc3ccccc3s2)CC1 ZINC000024949598 568498448 /nfs/dbraw/zinc/49/84/48/568498448.db2.gz OGJKGEFKDKABRU-MRXNPFEDSA-N 0 3 421.522 3.133 50 0 HGAAHN C[C@@H]1C[C@@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)CCN1Cc1ccccc1 ZINC000095408977 568606586 /nfs/dbraw/zinc/60/65/86/568606586.db2.gz RIQLCABSCOHFIC-CTNGQTDRSA-N 0 3 421.541 3.362 50 0 HGAAHN COc1cccc(C(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3)CC2)c1OC ZINC000095457069 568617915 /nfs/dbraw/zinc/61/79/15/568617915.db2.gz NJGANIVXBYATLN-NRFANRHFSA-N 0 3 423.557 3.126 50 0 HGAAHN CCN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](C)c1cccc(OC)c1 ZINC000040122945 568621126 /nfs/dbraw/zinc/62/11/26/568621126.db2.gz IGDQLVGRQXJKLH-SFHVURJKSA-N 0 3 418.559 3.299 50 0 HGAAHN O=C(NCc1ccccc1CN1CCC[C@@H]1CO)c1cc(F)cc(Br)c1 ZINC000096007077 568683153 /nfs/dbraw/zinc/68/31/53/568683153.db2.gz MNVYPNMOGNDWQV-LJQANCHMSA-N 0 3 421.310 3.475 50 0 HGAAHN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000229637942 568714800 /nfs/dbraw/zinc/71/48/00/568714800.db2.gz YIIGAGAETZOJJK-HLIPFELVSA-N 0 3 406.546 3.030 50 0 HGAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)n1 ZINC000021795016 568753832 /nfs/dbraw/zinc/75/38/32/568753832.db2.gz NOIYSRKSICWBHQ-UHFFFAOYSA-N 0 3 408.428 3.224 50 0 HGAAHN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000025536115 568774598 /nfs/dbraw/zinc/77/45/98/568774598.db2.gz DFSVNQGRLZNUQZ-RBBKRZOGSA-N 0 3 411.546 3.233 50 0 HGAAHN Cc1c(Cl)c(C(=O)Nc2nc3ccccc3n2CCN2CCCCC2)nn1C ZINC000002764460 568807522 /nfs/dbraw/zinc/80/75/22/568807522.db2.gz UUNWXNCAQSTCGB-UHFFFAOYSA-N 0 3 400.914 3.470 50 0 HGAAHN Cc1c(Br)c(C(F)F)nn1CC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000002781560 568808517 /nfs/dbraw/zinc/80/85/17/568808517.db2.gz WZOWYOIHTLSVEK-NSHDSACASA-N 0 3 407.303 3.128 50 0 HGAAHN CN(CCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)Cc1ccccc1 ZINC000002954381 568829707 /nfs/dbraw/zinc/82/97/07/568829707.db2.gz JNTFYRHEOIIQQV-KRWDZBQOSA-N 0 3 417.912 3.470 50 0 HGAAHN CN(CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)Cc1ccccc1 ZINC000002964673 568830824 /nfs/dbraw/zinc/83/08/24/568830824.db2.gz XWLJUKVBSDKQKV-MRXNPFEDSA-N 0 3 403.885 3.080 50 0 HGAAHN CCCCOc1ccccc1C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670436569 568874337 /nfs/dbraw/zinc/87/43/37/568874337.db2.gz DJIZPFOKTIFPGW-CNKRIOBRSA-N 0 3 419.569 3.163 50 0 HGAAHN CS(=O)(=O)c1ccc(CC(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)cc1 ZINC000670447692 568917342 /nfs/dbraw/zinc/91/73/42/568917342.db2.gz RIJMJVHFGDJHRQ-QFIPXVFZSA-N 0 3 414.571 3.366 50 0 HGAAHN CCN(CC)[C@H](CNC(=O)CCCNC(=O)c1cccs1)c1cccc(OC)c1 ZINC000012749485 568937226 /nfs/dbraw/zinc/93/72/26/568937226.db2.gz FJGUWUSJECOTDQ-LJQANCHMSA-N 0 3 417.575 3.466 50 0 HGAAHN O=C(NCCN1CCCCCC1)c1cccn1-c1nnc(N2CCCCCC2)s1 ZINC000015671822 568962295 /nfs/dbraw/zinc/96/22/95/568962295.db2.gz GCGHAUSHRJSLBV-UHFFFAOYSA-N 0 3 416.595 3.315 50 0 HGAAHN CN(C)CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675599 568964445 /nfs/dbraw/zinc/96/44/45/568964445.db2.gz HQQSCTXYBMNWLE-HSZRJFAPSA-N 0 3 414.550 3.240 50 0 HGAAHN CC(=O)N1c2ccccc2C[C@H]1C(=O)NCC1CCN(Cc2ccc(C)cc2)CC1 ZINC000015773272 568998772 /nfs/dbraw/zinc/99/87/72/568998772.db2.gz NWNPCUMTJNIHBG-DEOSSOPVSA-N 0 3 405.542 3.301 50 0 HGAAHN O=C(Nc1cccc(OC(F)F)c1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000229849868 569040786 /nfs/dbraw/zinc/04/07/86/569040786.db2.gz SJZWHCIWHXUESG-VQIMIIECSA-N 0 3 405.445 3.293 50 0 HGAAHN CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](c2ccccc2)N(CC)CC)c1 ZINC000012998037 569048396 /nfs/dbraw/zinc/04/83/96/569048396.db2.gz FORKMBSMTGWXBK-NRFANRHFSA-N 0 3 417.575 3.106 50 0 HGAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)c1 ZINC000245309149 569055733 /nfs/dbraw/zinc/05/57/33/569055733.db2.gz BQIMYQISQAQYDN-YPAWHYETSA-N 0 3 416.433 3.452 50 0 HGAAHN COc1ccc(CN(C[C@H](O)COCc2ccccc2)C[C@H]2CCCO2)cc1OC ZINC000036096053 569090303 /nfs/dbraw/zinc/09/03/03/569090303.db2.gz ATUKVMYQOHLSII-FCHUYYIVSA-N 0 3 415.530 3.263 50 0 HGAAHN Cc1cccc(CN(CCN2CCOCC2)C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000036098624 569090851 /nfs/dbraw/zinc/09/08/51/569090851.db2.gz KIUGAXJROOUJAP-JOCHJYFZSA-N 0 3 418.965 3.223 50 0 HGAAHN CC[C@@H](C)N(CCNC(=O)c1ccc2c(c1)nc(C)c(=O)n2C)Cc1cccs1 ZINC000064858972 569109319 /nfs/dbraw/zinc/10/93/19/569109319.db2.gz YJEAKFANTKHVJJ-OAHLLOKOSA-N 0 3 412.559 3.334 50 0 HGAAHN CN(C)CCN/C=C1/c2ccccc2C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000036264087 569120473 /nfs/dbraw/zinc/12/04/73/569120473.db2.gz FJIHEJGTUMRLHA-AQTBWJFISA-N 0 3 403.404 3.385 50 0 HGAAHN Cc1nn([C@@H](C)C(=O)NCCN2CCCCCC2)c(=O)c2c3ccccc3sc21 ZINC000006799186 569126227 /nfs/dbraw/zinc/12/62/27/569126227.db2.gz ATVTXCGSUXCKIU-INIZCTEOSA-N 0 3 412.559 3.473 50 0 HGAAHN CCN1CCN(CCCNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)CC1 ZINC000064968144 569137853 /nfs/dbraw/zinc/13/78/53/569137853.db2.gz PCQJNFZQOQFELS-UHFFFAOYSA-N 0 3 420.557 3.370 50 0 HGAAHN CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)CC(C)C)cnc1N1CCNCC1 ZINC000065025384 569156326 /nfs/dbraw/zinc/15/63/26/569156326.db2.gz QQYDARUDDVWJMK-UHFFFAOYSA-N 0 3 423.561 3.138 50 0 HGAAHN CCCNc1cc(N2CCC[C@H](CCC(=O)N3CCN(CC(C)C)CC3)C2)ncn1 ZINC000065244856 569204852 /nfs/dbraw/zinc/20/48/52/569204852.db2.gz WURRQTATACMPJX-HXUWFJFHSA-N 0 3 416.614 3.095 50 0 HGAAHN CC(C)c1nnc(-c2coc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)c2)o1 ZINC000065246613 569205623 /nfs/dbraw/zinc/20/56/23/569205623.db2.gz VVPMTELDNQXVFT-UHFFFAOYSA-N 0 3 408.524 3.092 50 0 HGAAHN CN(C)CCNC(=O)C1CCN(c2nc3ccc(-c4ccsc4)nc3s2)CC1 ZINC000065272175 569215674 /nfs/dbraw/zinc/21/56/74/569215674.db2.gz DGXLDFQGIJAMKM-UHFFFAOYSA-N 0 3 415.588 3.314 50 0 HGAAHN O=C(NCCN1CCCCC1)[C@H]1CCc2sc(C(=O)N3CCCCCC3)cc2C1 ZINC000065273150 569216091 /nfs/dbraw/zinc/21/60/91/569216091.db2.gz GBWIXEDZKOMUQI-SFHVURJKSA-N 0 3 417.619 3.471 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1csc(NC[C@H]2CCCO2)n1 ZINC000071286035 569252252 /nfs/dbraw/zinc/25/22/52/569252252.db2.gz KADUGNOZAIBAQT-GOSISDBHSA-N 0 3 400.548 3.128 50 0 HGAAHN CCOc1ccc(NC(=O)CSC2=N[C@H](c3c[nH]c4ccccc43)NC(=N)N2)cc1 ZINC000013579119 569256323 /nfs/dbraw/zinc/25/63/23/569256323.db2.gz IFLXZSNBAOHORU-LJQANCHMSA-N 0 3 422.514 3.211 50 0 HGAAHN CC(C)N1CCN([C@@H]2CCOC3(CCN(C(=O)c4ccc5[nH]ccc5c4)CC3)C2)CC1 ZINC000581819849 569320878 /nfs/dbraw/zinc/32/08/78/569320878.db2.gz OSJNYOSINXQSGE-JOCHJYFZSA-N 0 3 424.589 3.348 50 0 HGAAHN CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CCN3CCSCC3)c21 ZINC000002375812 569389364 /nfs/dbraw/zinc/38/93/64/569389364.db2.gz DWDHSAAOHLDDKE-UHFFFAOYSA-N 0 3 419.547 3.049 50 0 HGAAHN COCCN(C)CC[C@H](NC(=O)C(=O)Nc1ccc(C)cc1Cl)c1ccccc1 ZINC000078751627 569420301 /nfs/dbraw/zinc/42/03/01/569420301.db2.gz IWWJGPKCTQLLAA-IBGZPJMESA-N 0 3 417.937 3.413 50 0 HGAAHN Cc1c(C(=O)Nc2ccc(CCN3CCC(O)CC3)cc2)cnn1-c1ccccc1 ZINC000078947461 569421923 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COc1c(C)cnc(CN2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)c1C ZINC000091547601 559072152 /nfs/dbraw/zinc/07/21/52/559072152.db2.gz UCVHCFDAPNABEE-IBGZPJMESA-N 0 3 401.551 3.091 50 0 HGAAHN O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000095512922 559084476 /nfs/dbraw/zinc/08/44/76/559084476.db2.gz VCNQOTOPTWYLKS-GOSISDBHSA-N 0 3 400.494 3.495 50 0 HGAAHN COc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000011614405 559113651 /nfs/dbraw/zinc/11/36/51/559113651.db2.gz HAQQFEPKFLSCPR-FQEVSTJZSA-N 0 3 410.445 3.438 50 0 HGAAHN Cc1ccc(C[N@@H+]2CCc3nc(N(C)Cc4cccnc4)[n-]c(=O)c3CC2)cc1C ZINC000257197406 559189827 /nfs/dbraw/zinc/18/98/27/559189827.db2.gz NYSOBPRKFCNMJX-UHFFFAOYSA-N 0 3 403.530 3.431 50 0 HGAAHN Cc1ccc(C[N@H+]2CCc3nc(N(C)Cc4cccnc4)[n-]c(=O)c3CC2)cc1C ZINC000257197406 559189828 /nfs/dbraw/zinc/18/98/28/559189828.db2.gz NYSOBPRKFCNMJX-UHFFFAOYSA-N 0 3 403.530 3.431 50 0 HGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000102704807 560820506 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CCCCOC(=O)c1ccc(NC(=O)CC2C(=O)N=C3Nc4ccccc4N32)cc1 ZINC000013722618 558582711 /nfs/dbraw/zinc/58/27/11/558582711.db2.gz LNNQHXBCIAQVQY-SFHVURJKSA-N 0 3 406.442 3.169 50 0 HGAAHN COCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O ZINC000014732777 558665907 /nfs/dbraw/zinc/66/59/07/558665907.db2.gz KTDANDWUCBTFHB-UHFFFAOYSA-N 0 3 421.541 3.175 50 0 HGAAHN CN(C)CCSc1nnc(CNC(=O)c2cccc(-c3ccc(F)cc3)c2)n1C ZINC000014960722 558683834 /nfs/dbraw/zinc/68/38/34/558683834.db2.gz SMZOPVKFPXUYBA-UHFFFAOYSA-N 0 3 413.522 3.205 50 0 HGAAHN O=C(CC1=CSC2=NCCN12)N1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000015063220 558705814 /nfs/dbraw/zinc/70/58/14/558705814.db2.gz PITXUUHWSSCJPL-JOCHJYFZSA-N 0 3 414.550 3.290 50 0 HGAAHN COc1ccc(OCc2cc(C(=O)N3CCN4CCC[C@@H]4C3)no2)c2ccccc12 ZINC000015064169 558707076 /nfs/dbraw/zinc/70/70/76/558707076.db2.gz IYCMHVWVVFNTGX-MRXNPFEDSA-N 0 3 407.470 3.336 50 0 HGAAHN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](N(C)CCc3ccccc3)C2)c1 ZINC000015066317 558709122 /nfs/dbraw/zinc/70/91/22/558709122.db2.gz KZURAADQHPYANY-IBGZPJMESA-N 0 3 418.559 3.031 50 0 HGAAHN CN(C)[C@H]1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C2CC2)C1 ZINC000015072271 558713456 /nfs/dbraw/zinc/71/34/56/558713456.db2.gz QHFHZIMGNATGMO-HNNXBMFYSA-N 0 3 408.531 3.044 50 0 HGAAHN CN(C)[C@@H]1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C2CC2)C1 ZINC000015072269 558713494 /nfs/dbraw/zinc/71/34/94/558713494.db2.gz QHFHZIMGNATGMO-OAHLLOKOSA-N 0 3 408.531 3.044 50 0 HGAAHN c1cc(-c2nc3ccccc3s2)oc1CNC[C@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000030666075 558735430 /nfs/dbraw/zinc/73/54/30/558735430.db2.gz BRLLBEUFWOPHSD-VQIMIIECSA-N 0 3 413.543 3.383 50 0 HGAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(F)c(F)c2)n2c3ccccc3nc21 ZINC000030937515 558744889 /nfs/dbraw/zinc/74/48/89/558744889.db2.gz YVPLSDMLBHPCAC-SFHVURJKSA-N 0 3 414.412 3.268 50 0 HGAAHN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000072296023 558748955 /nfs/dbraw/zinc/74/89/55/558748955.db2.gz CSHCHLRAVWKDSV-GHTZIAJQSA-N 0 3 402.583 3.124 50 0 HGAAHN C[C@@]1(COC(=O)CCNC(=O)OCC(F)(F)F)CCCN1Cc1ccccc1 ZINC000072310752 558777966 /nfs/dbraw/zinc/77/79/66/558777966.db2.gz MJCSJXZMMZAHSV-SFHVURJKSA-N 0 3 402.413 3.263 50 0 HGAAHN COc1ccc(CNC(=O)CNCCOc2ccc(C(C)(C)C)cc2)cc1OC ZINC000016695414 558800986 /nfs/dbraw/zinc/80/09/86/558800986.db2.gz HTRNUXLXPRZVNN-UHFFFAOYSA-N 0 3 400.519 3.286 50 0 HGAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(I)cc1 ZINC000032986435 558806558 /nfs/dbraw/zinc/80/65/58/558806558.db2.gz MFBBCGKWKPHSDO-KRWDZBQOSA-N 0 3 406.267 3.296 50 0 HGAAHN COc1cccc(CN2CCN(Cc3ccc(-n4cccn4)cc3C)C[C@H]2CCO)c1 ZINC000039455522 558821462 /nfs/dbraw/zinc/82/14/62/558821462.db2.gz FCHUTMMZICIQPB-XMMPIXPASA-N 0 3 420.557 3.258 50 0 HGAAHN COCCNC(=O)CCC1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000067975572 558862435 /nfs/dbraw/zinc/86/24/35/558862435.db2.gz ZUZYOXMNBAPGIM-UHFFFAOYSA-N 0 3 404.942 3.485 50 0 HGAAHN CCn1nc(C)c(CN(CCOC)C[C@]2(c3cccc(OC)c3)CCOC2)c1C ZINC000055042367 558870628 /nfs/dbraw/zinc/87/06/28/558870628.db2.gz DPDAEHXUHXSERT-HSZRJFAPSA-N 0 3 401.551 3.335 50 0 HGAAHN COc1ccc(C(=O)NC2CC2)c(OC2CCN(Cc3cccc4nonc43)CC2)c1 ZINC000055167213 558874824 /nfs/dbraw/zinc/87/48/24/558874824.db2.gz DKHTWVLURXLHBM-UHFFFAOYSA-N 0 3 422.485 3.167 50 0 HGAAHN CCOC(=O)C1C(CN2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000055220595 558876443 /nfs/dbraw/zinc/87/64/43/558876443.db2.gz GNKWWMYSQVHRQX-BIENJYKASA-N 0 3 405.926 3.489 50 0 HGAAHN CCN(CC)CCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021810664 558953412 /nfs/dbraw/zinc/95/34/12/558953412.db2.gz OXAQVKRAEUEHBZ-QHCPKHFHSA-N 0 3 414.550 3.240 50 0 HGAAHN CC(C)OC(=O)c1ccc(NC(=O)CN2CCCN(Cc3ccccc3)CC2)cc1 ZINC000023039750 558993001 /nfs/dbraw/zinc/99/30/01/558993001.db2.gz VZKCELDZIPOQRK-UHFFFAOYSA-N 0 3 409.530 3.398 50 0 HGAAHN COCCCN1CC2(CCC1=O)CCN(Cc1cnc(CC3CCCC3)[nH]1)CC2 ZINC000091586713 559072326 /nfs/dbraw/zinc/07/23/26/559072326.db2.gz RBPXOKLBLIWQEU-UHFFFAOYSA-N 0 3 402.583 3.384 50 0 HGAAHN OCCC[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2F)CC[C@@H]1N1CCOCC1 ZINC000095385461 559080762 /nfs/dbraw/zinc/08/07/62/559080762.db2.gz GDSGRKGCIXTOLS-BEFAXECRSA-N 0 3 404.448 3.140 50 0 HGAAHN O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1ccnc3ccccc13)CC2 ZINC000095509465 559083681 /nfs/dbraw/zinc/08/36/81/559083681.db2.gz BREHDPSDOHEALK-UHFFFAOYSA-N 0 3 401.514 3.244 50 0 HGAAHN O=C(C1CC1)N1CCc2nc[nH]c2C12CCN(Cc1ccnc3ccccc13)CC2 ZINC000095509465 559083682 /nfs/dbraw/zinc/08/36/82/559083682.db2.gz BREHDPSDOHEALK-UHFFFAOYSA-N 0 3 401.514 3.244 50 0 HGAAHN COc1cccc(CNCCSc2nnnn2C)c1OCc1ccc(Cl)cc1 ZINC000004998049 559225694 /nfs/dbraw/zinc/22/56/94/559225694.db2.gz QSZIUVXVQWVXOB-UHFFFAOYSA-N 0 3 419.938 3.333 50 0 HGAAHN Cc1oc2c(c1C(=O)NCC1CCN(Cc3cccc(F)c3)CC1)C1=NCCN1C=N2 ZINC000100696164 559257241 /nfs/dbraw/zinc/25/72/41/559257241.db2.gz GZVPUMGXBQEBHV-UHFFFAOYSA-N 0 3 423.492 3.105 50 0 HGAAHN Cn1c(CN2CCSCC2)cc(=O)c(O)c1CN1CCC(c2ccccc2)CC1 ZINC000079477623 560541744 /nfs/dbraw/zinc/54/17/44/560541744.db2.gz XACVQWWHWUXUOI-UHFFFAOYSA-N 0 3 413.587 3.019 50 0 HGAAHN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(F)cc2)N(CCCN(C)C)C1=O ZINC000005351838 560569091 /nfs/dbraw/zinc/56/90/91/560569091.db2.gz MTJMJLUGOBMOOU-FQEVSTJZSA-N 0 3 410.445 3.438 50 0 HGAAHN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2cccc(F)c2)N(CCCN(C)C)C1=O ZINC000005345825 560570131 /nfs/dbraw/zinc/57/01/31/560570131.db2.gz SDBNLPOFUPYXJU-FQEVSTJZSA-N 0 3 410.445 3.438 50 0 HGAAHN COC(=O)CC[C@H](C)N1CCC(Oc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000012049786 560887669 /nfs/dbraw/zinc/88/76/69/560887669.db2.gz WFCXSQVIBRUZLK-SFHVURJKSA-N 0 3 402.535 3.498 50 0 HGAAHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000107510143 560896463 /nfs/dbraw/zinc/89/64/63/560896463.db2.gz XBHQIULKOZHLCJ-WMZHIEFXSA-N 0 3 421.541 3.219 50 0 HGAAHN Cc1ccc(F)cc1NC(=O)Cn1c(C)nc2c(c1=O)CN(Cc1ccccc1)CC2 ZINC000049400858 568447607 /nfs/dbraw/zinc/44/76/07/568447607.db2.gz GGYWFZRRZSGGTO-UHFFFAOYSA-N 0 3 420.488 3.196 50 0 HGAAHN O=C1C[C@H](c2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@H]1[C@@H]1NCCc2ccccc21 ZINC000049772133 568453335 /nfs/dbraw/zinc/45/33/35/568453335.db2.gz YACGSFQFKLDZPH-NMIHRBCNSA-N 0 3 420.900 3.302 50 0 HGAAHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCC(c2nc3ccccc3s2)CC1 ZINC000024949594 568498508 /nfs/dbraw/zinc/49/85/08/568498508.db2.gz OGJKGEFKDKABRU-INIZCTEOSA-N 0 3 421.522 3.133 50 0 HGAAHN CCOC(=O)C(C)(C)n1cc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cn1 ZINC000095423094 568607510 /nfs/dbraw/zinc/60/75/10/568607510.db2.gz FPNLXRHTAMVMIL-QGZVFWFLSA-N 0 3 416.497 3.171 50 0 HGAAHN Cc1nc2cc(C)ccn2c1CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000095457014 568618119 /nfs/dbraw/zinc/61/81/19/568618119.db2.gz RLBCKEDDZGXSGE-QHCPKHFHSA-N 0 3 403.574 3.343 50 0 HGAAHN Cn1c(CN2CCCCCC2)cc(=O)c(O)c1CN1CCO[C@H](c2ccccc2)C1 ZINC000095480128 568633054 /nfs/dbraw/zinc/63/30/54/568633054.db2.gz ZXTUUBLLUHUDIF-QHCPKHFHSA-N 0 3 411.546 3.040 50 0 HGAAHN CCN(CC)c1ncc2c(n1)CC[C@@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C2 ZINC000096310489 568674511 /nfs/dbraw/zinc/67/45/11/568674511.db2.gz UOXSYTQLMOSMHS-HXUWFJFHSA-N 0 3 421.589 3.209 50 0 HGAAHN CC(=O)Nc1cccc2c1ccn2CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000096116662 568695993 /nfs/dbraw/zinc/69/59/93/568695993.db2.gz UFTKULYXNGKJPG-UHFFFAOYSA-N 0 3 404.514 3.381 50 0 HGAAHN O=C(CN1CCC[C@H]2CCCC[C@H]21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000229990642 568716695 /nfs/dbraw/zinc/71/66/95/568716695.db2.gz ZQZFAMGYCSJFQO-YLJYHZDGSA-N 0 3 405.564 3.064 50 0 HGAAHN CN1CCN(CCc2ccc(NC(=O)c3cccnc3N3CCCCC3)cc2)CC1 ZINC000056041569 568785157 /nfs/dbraw/zinc/78/51/57/568785157.db2.gz NYWRNEINSVKNON-UHFFFAOYSA-N 0 3 407.562 3.114 50 0 HGAAHN CCN1CCC(NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000057200907 568824993 /nfs/dbraw/zinc/82/49/93/568824993.db2.gz IWVDXHPSKNZAGG-HNNXBMFYSA-N 0 3 409.372 3.059 50 0 HGAAHN CCC(CC)[C@@H](CNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O)N1CCCC1 ZINC000078413805 568884452 /nfs/dbraw/zinc/88/44/52/568884452.db2.gz WHLDQVWCFXPMSJ-KSFYIVLOSA-N 0 3 421.607 3.163 50 0 HGAAHN 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 ZINC000004028674 568934168 /nfs/dbraw/zinc/93/41/68/568934168.db2.gz SYTZVGPWDLPTPO-WMINDAEQSA-N 0 3 413.558 3.325 50 0 biogenic HGAAHN Cc1ccc(CCN2C[C@@H](C(=O)NCCCN(C)Cc3ccccc3)CC2=O)cc1 ZINC000004101924 568942959 /nfs/dbraw/zinc/94/29/59/568942959.db2.gz OWTGVWTZHGSJEY-QHCPKHFHSA-N 0 3 407.558 3.024 50 0 HGAAHN COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)NC3(C)C)cc1OC ZINC000004275258 568962184 /nfs/dbraw/zinc/96/21/84/568962184.db2.gz SEEYDHVDLARMPD-UHFFFAOYSA-N 0 3 417.531 3.276 50 0 HGAAHN O=C(NCCN1CCCCCC1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000015734877 568984055 /nfs/dbraw/zinc/98/40/55/568984055.db2.gz BUJIZQJEXFRZOB-UHFFFAOYSA-N 0 3 413.591 3.414 50 0 HGAAHN COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)ccc1O ZINC000008373812 568995770 /nfs/dbraw/zinc/99/57/70/568995770.db2.gz JYEDRFSXAQGXPL-FQEVSTJZSA-N 0 3 408.454 3.004 50 0 HGAAHN CCOc1ccc(Br)cc1S(=O)(=O)NCCCN1CCC(C)CC1 ZINC000012872862 569013437 /nfs/dbraw/zinc/01/34/37/569013437.db2.gz IIVJRHYEHTYYSV-UHFFFAOYSA-N 0 3 419.385 3.248 50 0 HGAAHN Cc1cccc2c1ncn(CCCC(=O)NC[C@H](c1ccccc1)N1CCCC1)c2=O ZINC000012908839 569021667 /nfs/dbraw/zinc/02/16/67/569021667.db2.gz YBONNRKAANTRCS-JOCHJYFZSA-N 0 3 418.541 3.438 50 0 HGAAHN C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000035397962 569034954 /nfs/dbraw/zinc/03/49/54/569034954.db2.gz RVSLLEQIYSTXSK-TZIWHRDSSA-N 0 3 407.562 3.351 50 0 HGAAHN Cc1ccc(-c2ccc(N3CCC(C(=O)NCCN4CCCCC4)CC3)nn2)cc1 ZINC000035398482 569035161 /nfs/dbraw/zinc/03/51/61/569035161.db2.gz ZITMFFWYIXHWDV-UHFFFAOYSA-N 0 3 407.562 3.271 50 0 HGAAHN CC(C)c1ccc(-c2noc(N3CCC(C(=O)NCCN4CCCC4)CC3)n2)cc1 ZINC000035447416 569037351 /nfs/dbraw/zinc/03/73/51/569037351.db2.gz GRRMRDJHJBKAPX-UHFFFAOYSA-N 0 3 411.550 3.288 50 0 HGAAHN O=C(CN1CCN2CCC[C@H]2C1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000239274617 569054078 /nfs/dbraw/zinc/05/40/78/569054078.db2.gz ALOYOTUGGBJXNF-HNNXBMFYSA-N 0 3 421.364 3.291 50 0 HGAAHN Cc1cccc(CN(CCN2CCOCC2)C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000036098622 569090874 /nfs/dbraw/zinc/09/08/74/569090874.db2.gz KIUGAXJROOUJAP-QFIPXVFZSA-N 0 3 418.965 3.223 50 0 HGAAHN COc1ccc([C@@H](CC(=O)NC2CCN(Cc3ccccc3C)CC2)NC(C)=O)cc1 ZINC000036392205 569167533 /nfs/dbraw/zinc/16/75/33/569167533.db2.gz URNRWIOFXOELHI-XMMPIXPASA-N 0 3 423.557 3.352 50 0 HGAAHN CN(C)[C@H](CNC(=O)CSc1nnc(-c2ccc(F)cc2)n1C)c1ccccc1 ZINC000006913796 569179785 /nfs/dbraw/zinc/17/97/85/569179785.db2.gz FTEKEPWAIVCDQM-GOSISDBHSA-N 0 3 413.522 3.132 50 0 HGAAHN CCc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1)CN(Cc1ccccc1)CC2 ZINC000065153532 569187517 /nfs/dbraw/zinc/18/75/17/569187517.db2.gz UVIJUDAHVQFGJI-UHFFFAOYSA-N 0 3 420.488 3.142 50 0 HGAAHN COc1cc(Br)c2nc(N3CCN(C4CCCC4)CC3)nc(N)c2c1 ZINC000170613103 569246649 /nfs/dbraw/zinc/24/66/49/569246649.db2.gz PRKCKFOFYPWRDP-UHFFFAOYSA-N 0 3 406.328 3.048 50 0 HGAAHN CS[C@H]1CN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)C[C@H]1N(C)C ZINC000089637019 569261461 /nfs/dbraw/zinc/26/14/61/569261461.db2.gz JBAUFOGDFHFJDL-MSOLQXFVSA-N 0 3 405.589 3.077 50 0 HGAAHN COc1cc(C(C)=O)ccc1OCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000170653305 569295399 /nfs/dbraw/zinc/29/53/99/569295399.db2.gz WJPHAQKMPWMYMB-UTKZUKDTSA-N 0 3 410.514 3.303 50 0 HGAAHN CN(C)CCOc1ccccc1N1CCN(C(=O)c2cccc3c2ccn3C)CC1 ZINC000078825167 569420826 /nfs/dbraw/zinc/42/08/26/569420826.db2.gz WEYFMSALMXELEH-UHFFFAOYSA-N 0 3 406.530 3.081 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000079495096 569432765 /nfs/dbraw/zinc/43/27/65/569432765.db2.gz RURJAEFHQNPQHP-SFHVURJKSA-N 0 3 413.953 3.127 50 0 HGAAHN Cc1cc(=O)c(C(=O)NCC2(N3CCCCC3)CCCCC2)nn1-c1ccccc1 ZINC000008735983 571110042 /nfs/dbraw/zinc/11/00/42/571110042.db2.gz PIPQSVDXPVBWSE-UHFFFAOYSA-N 0 3 408.546 3.460 50 0 HGAAHN CCOC(=O)c1c(NC(=O)CN2CCCN(C)CC2)sc(C)c1-c1ccccc1 ZINC000039944607 571135138 /nfs/dbraw/zinc/13/51/38/571135138.db2.gz ROPSPHLSJTWPEA-UHFFFAOYSA-N 0 3 415.559 3.476 50 0 HGAAHN CN(C)Cc1ccc(CNC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1 ZINC000040086569 571157044 /nfs/dbraw/zinc/15/70/44/571157044.db2.gz UDLHEVJRTKBFBK-UHFFFAOYSA-N 0 3 407.470 3.289 50 0 HGAAHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000009268751 571244211 /nfs/dbraw/zinc/24/42/11/571244211.db2.gz AQEWAYPJKDJUCG-UHFFFAOYSA-N 0 3 411.471 3.432 50 0 HGAAHN CN1c2ccccc2[C@]2(C1=O)[C@@H](C(=O)NCCc1ccc(Cl)cc1)C[C@H]1CCCN12 ZINC000057992439 571315407 /nfs/dbraw/zinc/31/54/07/571315407.db2.gz RKTXFVOUVYSRLL-DRMXPCRNSA-N 0 3 423.944 3.355 50 0 HGAAHN O=C1[C@@H]2CCCN2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000002183630 132249124 /nfs/dbraw/zinc/24/91/24/132249124.db2.gz VOKYQDLXICROPY-SFHVURJKSA-N 0 3 424.467 3.034 50 0 HGAAHN CCCN1CCN(CCCNC(=O)c2cnc(SC)nc2-c2ccccc2)CC1 ZINC000020557760 519858005 /nfs/dbraw/zinc/85/80/05/519858005.db2.gz QALOBHXUJHABKS-UHFFFAOYSA-N 0 3 413.591 3.013 50 0 HGAAHN CCCN1CCN(c2ncc3c(n2)-c2cn(-c4ccc(C)cc4)nc2NCC3)CC1 ZINC000032918704 519860652 /nfs/dbraw/zinc/86/06/52/519860652.db2.gz NWKSPIARSPASAM-UHFFFAOYSA-N 0 3 403.534 3.138 50 0 HGAAHN CCN1CCN(Cc2ccc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)cc2)CC1 ZINC000032916035 521688847 /nfs/dbraw/zinc/68/88/47/521688847.db2.gz ZNIRTTCIYSOZIF-UHFFFAOYSA-N 0 3 406.530 3.425 50 0 HGAAHN CCNC(=O)[C@@H]1C[C@H](NCc2ccc(F)c(F)c2)CN1Cc1ccccc1Cl ZINC000032547821 521745018 /nfs/dbraw/zinc/74/50/18/521745018.db2.gz YZVDOHDLLNCHCU-JXFKEZNVSA-N 0 3 407.892 3.487 50 0 HGAAHN CC[C@@H](CNC(=O)C(=O)Nc1ccccc1N1CCc2ccccc21)N1CCCC1 ZINC000041594149 522530891 /nfs/dbraw/zinc/53/08/91/522530891.db2.gz IDEOVMSPCOZPCZ-IBGZPJMESA-N 0 3 406.530 3.310 50 0 HGAAHN O=C(NCc1ccc(N2CCCC2=O)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000032862688 526682271 /nfs/dbraw/zinc/68/22/71/526682271.db2.gz BWYLZWSBBBKQEA-UHFFFAOYSA-N 0 3 406.530 3.277 50 0 HGAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032873757 526922277 /nfs/dbraw/zinc/92/22/77/526922277.db2.gz SQLQDFGOPBPPBE-IFMALSPDSA-N 0 3 409.505 3.069 50 0 HGAAHN Cc1cc([C@@H]2C[C@H](C(=O)NCCN(C)C)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000034715479 557429058 /nfs/dbraw/zinc/42/90/58/557429058.db2.gz AJUCGIIGBBADAM-RTWAWAEBSA-N 0 3 411.521 3.058 50 0 HGAAHN O=C(CN1CCCC1)N1CCN(c2nnc(-c3ccccc3)c3ccccc32)CC1 ZINC000004223077 557529944 /nfs/dbraw/zinc/52/99/44/557529944.db2.gz FVZWIQJNPUQNAA-UHFFFAOYSA-N 0 3 401.514 3.041 50 0 HGAAHN O=C(CCC(=O)N(C1CC1)C1CCN(Cc2ccccc2)CC1)NCc1ccncc1 ZINC000004229402 557530413 /nfs/dbraw/zinc/53/04/13/557530413.db2.gz KKUJOOHSFVNWHJ-UHFFFAOYSA-N 0 3 420.557 3.134 50 0 HGAAHN COc1cc(CNCCCN2CCOCC2)c(Br)cc1OC(C)C ZINC000004670857 557579283 /nfs/dbraw/zinc/57/92/83/557579283.db2.gz NLPUFLVFMQDYHN-UHFFFAOYSA-N 0 3 401.345 3.057 50 0 HGAAHN O=C1C[C@@H](NCC2CCCCC2)C(=O)N1c1ccc(I)cc1 ZINC000004978106 557619947 /nfs/dbraw/zinc/61/99/47/557619947.db2.gz AJAPBXKAEIYKCD-OAHLLOKOSA-N 0 3 412.271 3.093 50 0 HGAAHN CC(=O)Oc1c(C)cc(OC[C@@H](O)CNCCOc2ccccc2C)c(C)c1C ZINC000006504798 557705840 /nfs/dbraw/zinc/70/58/40/557705840.db2.gz MQBHPOWESALHTB-FQEVSTJZSA-N 0 3 401.503 3.254 50 0 HGAAHN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000009062851 557821447 /nfs/dbraw/zinc/82/14/47/557821447.db2.gz YERNCKMEQMDXKD-UHFFFAOYSA-N 0 3 412.486 3.341 50 0 HGAAHN CCn1ccnc1CN1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000011819841 558282930 /nfs/dbraw/zinc/28/29/30/558282930.db2.gz ZNGIECZDDRXLOS-HSZRJFAPSA-N 0 3 423.605 3.286 50 0 HGAAHN COc1cccc(CN2CCC[C@]3(CCN(Cc4cccc(C)n4)C3)C2=O)c1OC ZINC000011822106 558285317 /nfs/dbraw/zinc/28/53/17/558285317.db2.gz KVGTYLXUCQBRJA-XMMPIXPASA-N 0 3 409.530 3.422 50 0 HGAAHN NC(=O)[C@@H]1CCCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000011878939 558293378 /nfs/dbraw/zinc/29/33/78/558293378.db2.gz QYMDKKFNSBISMK-LJQANCHMSA-N 0 3 418.497 3.024 50 0 HGAAHN Cc1nc(C(=O)NC[C@@H]2CCC3(CCN(Cc4cccc(C)n4)CC3)O2)cs1 ZINC000011982892 558306429 /nfs/dbraw/zinc/30/64/29/558306429.db2.gz ZHGDWVLDQSXKCG-SFHVURJKSA-N 0 3 400.548 3.099 50 0 HGAAHN Cc1cc(C(=O)NC[C@H]2CCC3(CCN(Cc4cccc(Cl)c4)CC3)O2)n(C)n1 ZINC000011996272 558306814 /nfs/dbraw/zinc/30/68/14/558306814.db2.gz BIKLARYJGJLUPM-LJQANCHMSA-N 0 3 416.953 3.326 50 0 HGAAHN Brc1ccc(OCc2ccccc2)c(CNCCN2CCOCC2)c1 ZINC000019922802 558307364 /nfs/dbraw/zinc/30/73/64/558307364.db2.gz MLVNFQRBDWNSRL-UHFFFAOYSA-N 0 3 405.336 3.450 50 0 HGAAHN O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)NCCN1CCCCC1 ZINC000012054847 558315374 /nfs/dbraw/zinc/31/53/74/558315374.db2.gz WCHHAGYECNZCOO-VWLOTQADSA-N 0 3 407.558 3.413 50 0 HGAAHN Cn1cc(CN2CCCC[C@H]2CCn2cccn2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012058455 558316845 /nfs/dbraw/zinc/31/68/45/558316845.db2.gz BVJVZPTVNUYKSP-FQEVSTJZSA-N 0 3 407.518 3.500 50 0 HGAAHN COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)N1CCN(C2CCCCC2)CC1 ZINC000019996983 558317601 /nfs/dbraw/zinc/31/76/01/558317601.db2.gz JWAJIOYGIZUNAH-INIZCTEOSA-N 0 3 412.534 3.232 50 0 HGAAHN CN(C)CCN1C[C@H](C(=O)NCCC(c2ccccc2)c2ccccc2)CCC1=O ZINC000012075315 558319406 /nfs/dbraw/zinc/31/94/06/558319406.db2.gz YSKWTLFKEWSYQT-JOCHJYFZSA-N 0 3 407.558 3.125 50 0 HGAAHN CCn1nc(C)c(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)c1C ZINC000020149124 558340164 /nfs/dbraw/zinc/34/01/64/558340164.db2.gz SRESTZRVBPXVLP-UHFFFAOYSA-N 0 3 407.522 3.201 50 0 HGAAHN COc1ccc(CN2CCC3(CC[C@@H](CNC(=O)C(C)C)O3)CC2)c(OC)c1C ZINC000012190377 558347329 /nfs/dbraw/zinc/34/73/29/558347329.db2.gz FYVMQVRIQZGDQP-IBGZPJMESA-N 0 3 404.551 3.298 50 0 HGAAHN CCN1CCN(CCCCOc2ccc(C)cc2I)CC1 ZINC000020406479 558360131 /nfs/dbraw/zinc/36/01/31/558360131.db2.gz UZBWQDLXTNEXLI-UHFFFAOYSA-N 0 3 402.320 3.396 50 0 HGAAHN COc1ccccc1N1CCN([C@H]2CCCN(Cc3cccc4c3OCO4)C2)CC1 ZINC000020451280 558365695 /nfs/dbraw/zinc/36/56/95/558365695.db2.gz ZCUYOWCTAUUJJV-FQEVSTJZSA-N 0 3 409.530 3.211 50 0 HGAAHN CN(C(=O)c1cc(=O)c2ccccc2o1)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012298821 558369087 /nfs/dbraw/zinc/36/90/87/558369087.db2.gz RQCCJWHTHXQRDR-IBGZPJMESA-N 0 3 402.494 3.497 50 0 HGAAHN O=C(COCc1cc(-c2ccc(F)cc2)on1)N1CCN(C2CCCCC2)CC1 ZINC000020478947 558374714 /nfs/dbraw/zinc/37/47/14/558374714.db2.gz LYGYMCAUMGAGEH-UHFFFAOYSA-N 0 3 401.482 3.474 50 0 HGAAHN COc1ccc(OC)c(CC(=O)N(C)[C@H]2CCCN(C3Cc4ccccc4C3)C2)c1 ZINC000012443674 558413132 /nfs/dbraw/zinc/41/31/32/558413132.db2.gz OIXXVLHBSKECFE-NRFANRHFSA-N 0 3 408.542 3.337 50 0 HGAAHN c1cc(CN2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)n(-c2ncccn2)c1 ZINC000020911344 558422141 /nfs/dbraw/zinc/42/21/41/558422141.db2.gz JZJOOTSJQWXPTR-JOCHJYFZSA-N 0 3 402.546 3.054 50 0 HGAAHN Cc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000020914938 558422669 /nfs/dbraw/zinc/42/26/69/558422669.db2.gz QDVAENFCTHNGKO-NRFANRHFSA-N 0 3 407.518 3.365 50 0 HGAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2nonc2C)CC1 ZINC000012592942 558436337 /nfs/dbraw/zinc/43/63/37/558436337.db2.gz OSUWYVOVUWPXKW-UHFFFAOYSA-N 0 3 400.523 3.397 50 0 HGAAHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)Cc3cccs3)C2)cc1OC ZINC000012709124 558451341 /nfs/dbraw/zinc/45/13/41/558451341.db2.gz HPDYLRGGIBCXNU-SFHVURJKSA-N 0 3 402.560 3.473 50 0 HGAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CCCn1cncn1 ZINC000012714395 558454353 /nfs/dbraw/zinc/45/43/53/558454353.db2.gz BSYXLSHJMCTQDD-FQEVSTJZSA-N 0 3 401.530 3.001 50 0 HGAAHN COc1ccc(-n2cc(CN3CCC[C@H](C(N)=O)C3)c(-c3cccc(F)c3)n2)cc1 ZINC000012746117 558457984 /nfs/dbraw/zinc/45/79/84/558457984.db2.gz QVOOCEXZRGJUIY-KRWDZBQOSA-N 0 3 408.477 3.384 50 0 HGAAHN CCN1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)c(C)c2)CC1 ZINC000022238039 558471256 /nfs/dbraw/zinc/47/12/56/558471256.db2.gz UKLNZXHCCYLLQI-LJQANCHMSA-N 0 3 410.493 3.341 50 0 HGAAHN CN(C)Cc1ccc(CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000013008909 558502719 /nfs/dbraw/zinc/50/27/19/558502719.db2.gz AZAGVCHJQFZZSN-OUKQBFOZSA-N 0 3 405.542 3.316 50 0 HGAAHN COc1ccc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)c(Cl)c1OC ZINC000022852441 558517334 /nfs/dbraw/zinc/51/73/34/558517334.db2.gz HMSXLMHQGGIWNW-HXUWFJFHSA-N 0 3 418.965 3.469 50 0 HGAAHN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cc(CN4CCCC4)cs3)C2)CC1 ZINC000023358374 558551337 /nfs/dbraw/zinc/55/13/37/558551337.db2.gz FYRMQXSLTFTDAZ-HXUWFJFHSA-N 0 3 420.623 3.082 50 0 HGAAHN CCOC(=O)N1CCN([C@H]2CCCN(Cc3cc(CN4CCCC4)cs3)C2)CC1 ZINC000023358377 558551488 /nfs/dbraw/zinc/55/14/88/558551488.db2.gz FYRMQXSLTFTDAZ-FQEVSTJZSA-N 0 3 420.623 3.082 50 0 HGAAHN OCC[C@@H]1CN(Cc2cccn2-c2cccnc2)CCN1CCCc1ccccc1 ZINC000023373209 558553066 /nfs/dbraw/zinc/55/30/66/558553066.db2.gz NOZMSEZRCIEDSV-XMMPIXPASA-N 0 3 404.558 3.374 50 0 HGAAHN O=C(CCN1CCC(C(=O)NCc2ccccc2)CC1)Nc1ccnn1C1CCCC1 ZINC000024927631 558621224 /nfs/dbraw/zinc/62/12/24/558621224.db2.gz NJIANFUYBVKKFC-UHFFFAOYSA-N 0 3 423.561 3.355 50 0 HGAAHN O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NC2CCCC2)CN(Cc2ccncc2)C1 ZINC000014755429 558671733 /nfs/dbraw/zinc/67/17/33/558671733.db2.gz DRZJBJRRAICTNS-RBUKOAKNSA-N 0 3 424.520 3.356 50 0 HGAAHN CN(Cc1ccccc1)C1(CNC(=O)CCc2cnn(C)c2)Cc2ccccc2C1 ZINC000014956567 558682624 /nfs/dbraw/zinc/68/26/24/558682624.db2.gz TVNQPKGOLMCGHN-UHFFFAOYSA-N 0 3 402.542 3.139 50 0 HGAAHN CC[C@H]1CN(CCC(=O)NCc2ccc3c(c2)OCO3)Cc2cc(OC)ccc2O1 ZINC000014995299 558696022 /nfs/dbraw/zinc/69/60/22/558696022.db2.gz UAZQJCZNUORSGJ-SFHVURJKSA-N 0 3 412.486 3.103 50 0 HGAAHN COc1ccc(OCc2cc(C(=O)N(C)C[C@H]3CCCCN3C)n[nH]2)c(Cl)c1 ZINC000015066082 558709017 /nfs/dbraw/zinc/70/90/17/558709017.db2.gz PYDXEJSSXRZURH-OAHLLOKOSA-N 0 3 406.914 3.207 50 0 HGAAHN COc1ccc(OCc2cc(C(=O)N(C)C[C@H]3CCCCN3C)[nH]n2)c(Cl)c1 ZINC000015066082 558709019 /nfs/dbraw/zinc/70/90/19/558709019.db2.gz PYDXEJSSXRZURH-OAHLLOKOSA-N 0 3 406.914 3.207 50 0 HGAAHN CSc1ccc(CN2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)cc1 ZINC000015077510 558717150 /nfs/dbraw/zinc/71/71/50/558717150.db2.gz XALLOJGLXIOKGX-QGZVFWFLSA-N 0 3 400.548 3.417 50 0 HGAAHN CCOC(=O)C1C(CN2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000015319070 558732351 /nfs/dbraw/zinc/73/23/51/558732351.db2.gz GNKWWMYSQVHRQX-PJIJBLCYSA-N 0 3 405.926 3.489 50 0 HGAAHN C[C@H](NC(=O)CCC[S@@](=O)c1ccc(Br)cc1)C(C)(C)CN(C)C ZINC000072297866 558750053 /nfs/dbraw/zinc/75/00/53/558750053.db2.gz ZVSYDZKYKYZOBF-BSEYFRJRSA-N 0 3 417.413 3.429 50 0 HGAAHN Cc1cccc(CN2CCC(NC(=O)c3ccnc(N4CCO[C@@H](C)C4)c3)CC2)c1 ZINC000072305406 558759789 /nfs/dbraw/zinc/75/97/89/558759789.db2.gz BAQYFNPUWXTZMJ-IBGZPJMESA-N 0 3 408.546 3.010 50 0 HGAAHN C[C@@H]1CCCCN1CCNC(=O)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000033088543 558760912 /nfs/dbraw/zinc/76/09/12/558760912.db2.gz SOGREQQLUAERFL-GFCCVEGCSA-N 0 3 422.411 3.007 50 0 HGAAHN Cc1cc(C)n(-c2ccc(F)cc2CN2CCN(C3CCCC3)[C@H](CCO)C2)n1 ZINC000036385640 558799596 /nfs/dbraw/zinc/79/95/96/558799596.db2.gz BRTTXYSXBFTPOW-JOCHJYFZSA-N 0 3 400.542 3.439 50 0 HGAAHN O=C1C2=C(CCCC2)[C@@H](NCCCN2CCOCC2)N1CCc1ccc(Cl)cc1 ZINC000004591158 558829271 /nfs/dbraw/zinc/82/92/71/558829271.db2.gz HPHJUSKSLGUJEH-QFIPXVFZSA-N 0 3 417.981 3.233 50 0 HGAAHN Cc1nnc(C(=O)Nc2cccc(C(=O)NCCCN(C)Cc3ccccc3)c2)s1 ZINC000033022596 558837678 /nfs/dbraw/zinc/83/76/78/558837678.db2.gz UYWFZMPQBRQQPJ-UHFFFAOYSA-N 0 3 423.542 3.351 50 0 HGAAHN COc1ccccc1C(=O)[C@H]1CCCN(Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000019148512 558847054 /nfs/dbraw/zinc/84/70/54/558847054.db2.gz FWVJNODULSMMHV-KRWDZBQOSA-N 0 3 405.498 3.230 50 0 HGAAHN O=C1OC2(CN1CCOc1ccccc1)CCN(Cc1cccc3nonc31)CC2 ZINC000072474633 558983628 /nfs/dbraw/zinc/98/36/28/558983628.db2.gz ZTHDURTXNYFRLJ-UHFFFAOYSA-N 0 3 408.458 3.089 50 0 HGAAHN Cc1nc2cc(OCc3nc(C(=O)NC[C@@H](C)N4CCCC4)co3)ccc2s1 ZINC000091603115 559072283 /nfs/dbraw/zinc/07/22/83/559072283.db2.gz IAMDIFRPLNIFDZ-CYBMUJFWSA-N 0 3 400.504 3.386 50 0 HGAAHN Cc1nc2cc(OCc3nc(C(=O)NC[C@H](C)N4CCCC4)co3)ccc2s1 ZINC000091603119 559072321 /nfs/dbraw/zinc/07/23/21/559072321.db2.gz IAMDIFRPLNIFDZ-ZDUSSCGKSA-N 0 3 400.504 3.386 50 0 HGAAHN Cn1c(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cc2ccccc21 ZINC000095531069 559086836 /nfs/dbraw/zinc/08/68/36/559086836.db2.gz FUDBFDRNAPXZKS-UHFFFAOYSA-N 0 3 403.530 3.187 50 0 HGAAHN Cn1c(CN2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)cc2ccccc21 ZINC000095531069 559086838 /nfs/dbraw/zinc/08/68/38/559086838.db2.gz FUDBFDRNAPXZKS-UHFFFAOYSA-N 0 3 403.530 3.187 50 0 HGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccnc4)[C@@H]3C2=O)cc1 ZINC000100722329 559138436 /nfs/dbraw/zinc/13/84/36/559138436.db2.gz CAKLGVMOEACNNO-PCCBWWKXSA-N 0 3 401.422 3.141 50 0 HGAAHN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccccc2F)N(CCCN(C)C)C1=O ZINC000005345693 560569985 /nfs/dbraw/zinc/56/99/85/560569985.db2.gz ADOXXQRJSCSICC-HXUWFJFHSA-N 0 3 410.445 3.438 50 0 HGAAHN Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000002631283 560586358 /nfs/dbraw/zinc/58/63/58/560586358.db2.gz ODDFIUJTAGTZCI-APWZRJJASA-N 0 3 420.575 3.030 50 0 HGAAHN CN1c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2C(=O)N2CCC[C@H]21 ZINC000583649010 560779108 /nfs/dbraw/zinc/77/91/08/560779108.db2.gz KYIRTBXAYCXISD-QHCPKHFHSA-N 0 3 418.541 3.093 50 0 HGAAHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000102914552 560835318 /nfs/dbraw/zinc/83/53/18/560835318.db2.gz AIRJRZRRFRLGKT-SLFFLAALSA-N 0 3 418.405 3.117 50 0 HGAAHN CSCC[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@]2(N1)c1ccccc1N(C)C2=O ZINC000106808000 560893914 /nfs/dbraw/zinc/89/39/14/560893914.db2.gz APWAKIVXOCBAOL-TVTNDZMWSA-N 0 3 413.518 3.367 50 0 HGAAHN Cc1ccc(CN2CCC([C@@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)o1 ZINC000014885748 560896860 /nfs/dbraw/zinc/89/68/60/560896860.db2.gz VOOIJLOPPMUIIL-XMMPIXPASA-N 0 3 407.514 3.278 50 0 HGAAHN Cc1nc2ccc(NC(=O)NCc3ccc(N4CCCN(C)CC4)nc3)cc2s1 ZINC000048237633 568433116 /nfs/dbraw/zinc/43/31/16/568433116.db2.gz BXAALYZOXHIJBW-UHFFFAOYSA-N 0 3 410.547 3.463 50 0 HGAAHN Cc1ccc(CN2CCc3ncn(CC(=O)Nc4ccc(C)cc4)c(=O)c3C2)cc1 ZINC000049400902 568447579 /nfs/dbraw/zinc/44/75/79/568447579.db2.gz BMHGKOJRACGYDT-UHFFFAOYSA-N 0 3 402.498 3.057 50 0 HGAAHN COc1ccc2cc(CN(C)C(=O)CN(C)C[C@H]3CCn4ccnc4C3)ccc2c1 ZINC000225671917 568662694 /nfs/dbraw/zinc/66/26/94/568662694.db2.gz NYHCMLOXEUVQOZ-IBGZPJMESA-N 0 3 406.530 3.198 50 0 HGAAHN O=C(NCc1ccccc1CN1CCC[C@H]1CO)c1cc(F)cc(Br)c1 ZINC000096007078 568683244 /nfs/dbraw/zinc/68/32/44/568683244.db2.gz MNVYPNMOGNDWQV-IBGZPJMESA-N 0 3 421.310 3.475 50 0 HGAAHN C[C@H](NCc1ccccc1-n1ccnc1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013570 568685427 /nfs/dbraw/zinc/68/54/27/568685427.db2.gz CZBNFNZDZMBRRF-CVDCTZTESA-N 0 3 420.513 3.388 50 0 HGAAHN O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000229686574 568714929 /nfs/dbraw/zinc/71/49/29/568714929.db2.gz GVHGNIFAAQTNGQ-RTBURBONSA-N 0 3 414.500 3.365 50 0 HGAAHN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)CNC1CC1 ZINC000002649499 568795865 /nfs/dbraw/zinc/79/58/65/568795865.db2.gz PSGNIELIOFZGPM-UHFFFAOYSA-N 0 3 401.488 3.176 50 0 HGAAHN Cc1ccccc1CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299781890 568875243 /nfs/dbraw/zinc/87/52/43/568875243.db2.gz LWZKKXIULPQTSP-QHCPKHFHSA-N 0 3 412.505 3.405 50 0 HGAAHN COc1cccc(-c2nc3cc(F)ccc3cc2CN[C@@H]2CCS(=O)(=O)C2)c1 ZINC000299802692 568876682 /nfs/dbraw/zinc/87/66/82/568876682.db2.gz NKXHFCDGLUOBQX-GOSISDBHSA-N 0 3 400.475 3.326 50 0 HGAAHN CCC(CC)[C@H](CNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O)N1CCCC1 ZINC000078413809 568884415 /nfs/dbraw/zinc/88/44/15/568884415.db2.gz WHLDQVWCFXPMSJ-AOMKIAJQSA-N 0 3 421.607 3.163 50 0 HGAAHN Cc1ccc(-c2cc3n(n2)[C@@H](NC2CCN(Cc4ccccc4)CC2)CNC3=O)cc1 ZINC000263615069 568910054 /nfs/dbraw/zinc/91/00/54/568910054.db2.gz AKJFDLRXBKDOID-XMMPIXPASA-N 0 3 415.541 3.355 50 0 HGAAHN O=C1NC[C@@H](NC2CCN(Cc3ccccc3)CC2)n2nc(-c3ccc(F)cc3)cc21 ZINC000263616700 568911046 /nfs/dbraw/zinc/91/10/46/568911046.db2.gz KCGRJXXSYBAJSK-QHCPKHFHSA-N 0 3 419.504 3.185 50 0 HGAAHN CCN(CC)[C@@H](CNC(=O)CCCNC(=O)c1cccs1)c1cccc(OC)c1 ZINC000012749480 568937198 /nfs/dbraw/zinc/93/71/98/568937198.db2.gz FJGUWUSJECOTDQ-IBGZPJMESA-N 0 3 417.575 3.466 50 0 HGAAHN Cc1c(C(=O)NCc2ccc(CN(C)C)cc2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000012785205 568959720 /nfs/dbraw/zinc/95/97/20/568959720.db2.gz PVYISXNUQISLSE-UHFFFAOYSA-N 0 3 424.570 3.484 50 0 HGAAHN CCOC(=O)c1noc2ncnc(NCC3CCN(Cc4ccccc4F)CC3)c21 ZINC000015735191 568983984 /nfs/dbraw/zinc/98/39/84/568983984.db2.gz JRWLSHAKWNHLRI-UHFFFAOYSA-N 0 3 413.453 3.258 50 0 HGAAHN CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 ZINC000008343738 568994084 /nfs/dbraw/zinc/99/40/84/568994084.db2.gz QCTZGXAMRXUDJU-APWZRJJASA-N 0 3 419.447 3.477 50 0 HGAAHN COc1ccc([C@@H]2CCCCCN2CC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000012912268 569021910 /nfs/dbraw/zinc/02/19/10/569021910.db2.gz OVLKRBIZQIAQOJ-QFIPXVFZSA-N 0 3 408.546 3.356 50 0 HGAAHN Cc1csc(-c2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)c(C)n2C)n1 ZINC000035454810 569037880 /nfs/dbraw/zinc/03/78/80/569037880.db2.gz ULNPFQBFDSIKQP-UHFFFAOYSA-N 0 3 422.620 3.404 50 0 HGAAHN Cc1noc(C)c1CN1CCc2c(C(=O)NC[C@@H]3CCCCN3C)csc2C1 ZINC000426399005 569072674 /nfs/dbraw/zinc/07/26/74/569072674.db2.gz JSPADKZMLQMGGD-INIZCTEOSA-N 0 3 402.564 3.125 50 0 HGAAHN Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H](C)CN3CCCC3)csc2C1 ZINC000426712829 569074026 /nfs/dbraw/zinc/07/40/26/569074026.db2.gz VWJIIMTVICKQJD-AWEZNQCLSA-N 0 3 402.564 3.125 50 0 HGAAHN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)C1CCCCC1 ZINC000006637724 569077135 /nfs/dbraw/zinc/07/71/35/569077135.db2.gz JBVDYQDCDCOANA-UHFFFAOYSA-N 0 3 423.579 3.073 50 0 HGAAHN Cc1ccccc1CN(CCN1CCOCC1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036104406 569092199 /nfs/dbraw/zinc/09/21/99/569092199.db2.gz YFNFKMUFPQVAFT-QFIPXVFZSA-N 0 3 418.965 3.223 50 0 HGAAHN CC(C)C(=O)N(CCN(C)C)Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1 ZINC000006766185 569114564 /nfs/dbraw/zinc/11/45/64/569114564.db2.gz PRZHGCGZPNUIQG-UHFFFAOYSA-N 0 3 422.522 3.140 50 0 HGAAHN CCCN(C)c1cc(CC)nc(SCc2ccc(C(=O)NCCN(C)C)cc2)n1 ZINC000006802061 569129616 /nfs/dbraw/zinc/12/96/16/569129616.db2.gz BSCUVGBFTXDSBD-UHFFFAOYSA-N 0 3 415.607 3.469 50 0 HGAAHN O=C(NCCN1CCCCCC1)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023771 569155150 /nfs/dbraw/zinc/15/51/50/569155150.db2.gz QOBINIHYWPZBTG-OAQYLSRUSA-N 0 3 407.562 3.352 50 0 HGAAHN Cc1ccc(-c2cc3n(n2)[C@H](NCCCN2CCc4ccccc4C2)CNC3=O)cc1 ZINC000169754492 569161187 /nfs/dbraw/zinc/16/11/87/569161187.db2.gz UGKMAIKMZKGZPJ-DEOSSOPVSA-N 0 3 415.541 3.139 50 0 HGAAHN CCCn1c2ccccc2c2cnn(CC(=O)NCCN3[C@@H](C)CCC[C@@H]3C)c(=O)c21 ZINC000006900169 569176160 /nfs/dbraw/zinc/17/61/60/569176160.db2.gz YCQCXYRWHJBFNP-ROUUACIJSA-N 0 3 423.561 3.140 50 0 HGAAHN Cc1oc(-c2ccc(C(=O)NCCN(C)C)cc2)nc1C[S@@](=O)c1ccccc1 ZINC000006941163 569186584 /nfs/dbraw/zinc/18/65/84/569186584.db2.gz TVCZGTZFGLEBEL-LJAQVGFWSA-N 0 3 411.527 3.249 50 0 HGAAHN COc1cccc(CNC(=O)c2cccc(N3CCN[C@@H](c4ccccc4)C3)n2)c1 ZINC000065256310 569208386 /nfs/dbraw/zinc/20/83/86/569208386.db2.gz GUJJUCRTQPEAPQ-JOCHJYFZSA-N 0 3 402.498 3.171 50 0 HGAAHN CCOc1cc(CNC(=O)c2nc(C)n(C3CCN(C)CC3)c2C)ccc1OC ZINC000065257274 569208666 /nfs/dbraw/zinc/20/86/66/569208666.db2.gz UFKIMOQZUWZUMH-UHFFFAOYSA-N 0 3 400.523 3.104 50 0 HGAAHN CCN1CCC[C@H](NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000252467574 569287127 /nfs/dbraw/zinc/28/71/27/569287127.db2.gz SSNHPGYRRZDWGI-WBVHZDCISA-N 0 3 409.372 3.059 50 0 HGAAHN 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 ZINC000252695006 569320264 /nfs/dbraw/zinc/32/02/64/569320264.db2.gz SYTZVGPWDLPTPO-KSSLHLJXSA-N 0 3 413.558 3.325 50 0 biogenic HGAAHN COCCN(CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000079024591 569424682 /nfs/dbraw/zinc/42/46/82/569424682.db2.gz VBXPKKYANUBTPK-ICSRJNTNSA-N 0 3 419.566 3.039 50 0 HGAAHN Cc1ccc(C)c(-n2cc(CN3CCN(CCC(N)=O)CC3)c(-c3ccccc3)n2)c1 ZINC000019606620 569425030 /nfs/dbraw/zinc/42/50/30/569425030.db2.gz YPLFUTKULBUCQC-UHFFFAOYSA-N 0 3 417.557 3.149 50 0 HGAAHN CC(C)[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc2c(c1)OCCO2 ZINC000008734757 571109737 /nfs/dbraw/zinc/10/97/37/571109737.db2.gz LEPFDVGPJZFAHB-HSZRJFAPSA-N 0 3 423.513 3.275 50 0 HGAAHN CN(C)Cc1ccc(CNC(=O)c2cn(-c3cccc(Br)c3)nn2)cc1 ZINC000040086568 571157090 /nfs/dbraw/zinc/15/70/90/571157090.db2.gz WGOKSGVUZBJEBE-UHFFFAOYSA-N 0 3 414.307 3.021 50 0 HGAAHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)CN1C(=O)COc2ccccc21 ZINC000040142733 571193613 /nfs/dbraw/zinc/19/36/13/571193613.db2.gz JQEZXAOGLWLDDD-JOCHJYFZSA-N 0 3 421.541 3.001 50 0 HGAAHN C[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 ZINC000245330414 571225411 /nfs/dbraw/zinc/22/54/11/571225411.db2.gz YJMIRHVDCFQELY-DYESRHJHSA-N 0 3 414.571 3.346 50 0 HGAAHN Cc1c(C(=O)NCc2ccccc2)nnn1-c1cccc2c1CCN(CC1CC1)C2 ZINC000069902465 571249002 /nfs/dbraw/zinc/24/90/02/571249002.db2.gz XTNQTCCFGCPJEG-UHFFFAOYSA-N 0 3 401.514 3.274 50 0 HGAAHN O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)Nc1cccc(N2CCNC2=O)c1 ZINC000070011270 571253841 /nfs/dbraw/zinc/25/38/41/571253841.db2.gz MDCSPEDBJXNEBY-LJQANCHMSA-N 0 3 407.518 3.250 50 0 HGAAHN COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N(C)C)c1 ZINC000010333455 571300453 /nfs/dbraw/zinc/30/04/53/571300453.db2.gz JOBMVZHNTCAUQV-NRFANRHFSA-N 0 3 421.497 3.215 50 0 HGAAHN CCN1CCN(c2ccc(NC(=O)CNC(=O)Nc3cccc(C)c3)c(C)c2)CC1 ZINC000031522605 132498562 /nfs/dbraw/zinc/49/85/62/132498562.db2.gz YUDBXGLVXRPIRI-UHFFFAOYSA-N 0 3 409.534 3.206 50 0 HGAAHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1Br)C1CCCCC1 ZINC000041642192 522009906 /nfs/dbraw/zinc/00/99/06/522009906.db2.gz PQEIPINNSBALMH-INIZCTEOSA-N 0 3 414.319 3.153 50 0 HGAAHN Cc1cc(CN2CCC(CNC(=O)C(=O)NCCC3=CCCCC3)CC2)c(C)o1 ZINC000043941097 524673270 /nfs/dbraw/zinc/67/32/70/524673270.db2.gz JWNOHCPQHUNIKI-UHFFFAOYSA-N 0 3 401.551 3.231 50 0 HGAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(CN2CCOCC2)c1 ZINC000032109685 525483804 /nfs/dbraw/zinc/48/38/04/525483804.db2.gz ZXRHRWZKTXHWBS-HSZRJFAPSA-N 0 3 407.514 3.252 50 0 biogenic HGAAHN O=C(Cc1ccccc1)N1C[C@H](C(=O)NCCN2CCCC2)C[C@@H](c2ccccc2)C1 ZINC000034738226 557447665 /nfs/dbraw/zinc/44/76/65/557447665.db2.gz SEDHYZBJEMBNIK-DNQXCXABSA-N 0 3 419.569 3.073 50 0 HGAAHN COc1ccccc1N1CCN([C@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000022912945 558258553 /nfs/dbraw/zinc/25/85/53/558258553.db2.gz BUTOPUCPVGTAQO-QFIPXVFZSA-N 0 3 407.558 3.417 50 0 HGAAHN Cn1ccc(C(=O)NC[C@@H]2CCC3(CCN(Cc4ccc(Cl)cc4)CC3)O2)n1 ZINC000011814236 558278442 /nfs/dbraw/zinc/27/84/42/558278442.db2.gz SITKMRNIQRCOCK-SFHVURJKSA-N 0 3 402.926 3.017 50 0 HGAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)C3CCCC3)CC2)c(Cl)c1 ZINC000011839168 558286006 /nfs/dbraw/zinc/28/60/06/558286006.db2.gz JAVRKNMEGYABIJ-UHFFFAOYSA-N 0 3 421.969 3.191 50 0 HGAAHN COc1ccc(CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1Cn1cncn1 ZINC000011843328 558288172 /nfs/dbraw/zinc/28/81/72/558288172.db2.gz IPMGMRFWCUYKHZ-XMMPIXPASA-N 0 3 424.520 3.291 50 0 HGAAHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccc(C(C)=O)cc1 ZINC000019819140 558289262 /nfs/dbraw/zinc/28/92/62/558289262.db2.gz VBVMJIUIVQCXME-LJQANCHMSA-N 0 3 424.428 3.467 50 0 HGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4C)[C@@H](c4cccnc4)[C@H]3C2=O)cc1 ZINC000011859831 558289702 /nfs/dbraw/zinc/28/97/02/558289702.db2.gz PWQSEFAZOVLDGP-BHIFYINESA-N 0 3 415.449 3.450 50 0 HGAAHN O=C([C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1)N1CCN(C2CCCCC2)CC1 ZINC000019840367 558294004 /nfs/dbraw/zinc/29/40/04/558294004.db2.gz RXRPZAYGQKIVHF-HXUWFJFHSA-N 0 3 415.553 3.084 50 0 HGAAHN CC1(C)[C@@H]2C[C@H]1C(CN1CCc3nnc(CNC(=O)c4ccccc4)n3CC1)=CC2 ZINC000011909331 558296417 /nfs/dbraw/zinc/29/64/17/558296417.db2.gz CDEORXGWODWZNO-PMACEKPBSA-N 0 3 405.546 3.059 50 0 HGAAHN CCn1cc(CNC(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)cn1 ZINC000011933891 558298333 /nfs/dbraw/zinc/29/83/33/558298333.db2.gz PBAYHIJDQJDJQT-UHFFFAOYSA-N 0 3 400.523 3.093 50 0 HGAAHN COc1ccc(CNCc2ccccc2F)cc1OC[C@H](O)CN1CCCCC1 ZINC000011934019 558298347 /nfs/dbraw/zinc/29/83/47/558298347.db2.gz SFYDCLJQDWDMSW-HXUWFJFHSA-N 0 3 402.510 3.350 50 0 HGAAHN CCCCc1ncc(CN2CCC[C@H](CNC(=O)c3cc(OC)cc(OC)c3)C2)[nH]1 ZINC000011936747 558300871 /nfs/dbraw/zinc/30/08/71/558300871.db2.gz ZEYWKYKRXYZCOH-QGZVFWFLSA-N 0 3 414.550 3.412 50 0 HGAAHN COc1ccc(C)cc1N1C(=O)[C@@H]2C[C@H]1CN2C1CCN(Cc2ccccc2)CC1 ZINC000011999672 558307886 /nfs/dbraw/zinc/30/78/86/558307886.db2.gz OSICZSYQCUQCBE-GMAHTHKFSA-N 0 3 405.542 3.458 50 0 HGAAHN O=C(CCC1CCN(Cc2cccn2-c2nccs2)CC1)NC[C@@H]1CCCO1 ZINC000012072314 558317491 /nfs/dbraw/zinc/31/74/91/558317491.db2.gz VLTXCCAFSUTDEI-IBGZPJMESA-N 0 3 402.564 3.221 50 0 HGAAHN O=C(NC[C@@H]1CCC2(CCN(Cc3cc4ccccc4[nH]c3=O)CC2)O1)c1ccco1 ZINC000012200224 558351077 /nfs/dbraw/zinc/35/10/77/558351077.db2.gz ZLOIREJYOHGBGO-IBGZPJMESA-N 0 3 421.497 3.065 50 0 HGAAHN CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)CN(C)Cc3cccnc3)C2)cc1 ZINC000012298763 558368709 /nfs/dbraw/zinc/36/87/09/558368709.db2.gz QYLDHOQFEWOSEW-DEOSSOPVSA-N 0 3 408.590 3.493 50 0 HGAAHN COCC1CCN(C(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)CC1 ZINC000012385779 558394846 /nfs/dbraw/zinc/39/48/46/558394846.db2.gz GMTLTAAPZKOFIP-UHFFFAOYSA-N 0 3 404.551 3.445 50 0 HGAAHN Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)c1 ZINC000020780735 558412875 /nfs/dbraw/zinc/41/28/75/558412875.db2.gz MTTDZHVUJKFOJC-FQEVSTJZSA-N 0 3 417.557 3.455 50 0 HGAAHN CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)CN(C)Cc3ccncc3)C2)cc1 ZINC000012449309 558415916 /nfs/dbraw/zinc/41/59/16/558415916.db2.gz PEKRERLKFYTKKO-DEOSSOPVSA-N 0 3 408.590 3.493 50 0 HGAAHN CN(Cc1ccon1)C(=O)C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000012581648 558432654 /nfs/dbraw/zinc/43/26/54/558432654.db2.gz RWRLDKLQBJUOTM-UHFFFAOYSA-N 0 3 423.517 3.155 50 0 HGAAHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)Cc3cccs3)C2)cc1OC ZINC000012709117 558451317 /nfs/dbraw/zinc/45/13/17/558451317.db2.gz HPDYLRGGIBCXNU-GOSISDBHSA-N 0 3 402.560 3.473 50 0 HGAAHN COc1ccc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)c(Cl)c1OC ZINC000022929182 558523449 /nfs/dbraw/zinc/52/34/49/558523449.db2.gz HMSXLMHQGGIWNW-FQEVSTJZSA-N 0 3 418.965 3.469 50 0 HGAAHN COc1cc(CNCCSc2nnnn2C)ccc1OCc1cccc(Cl)c1 ZINC000013946000 558607151 /nfs/dbraw/zinc/60/71/51/558607151.db2.gz XZBYBPMTJIORQF-UHFFFAOYSA-N 0 3 419.938 3.333 50 0 HGAAHN CCc1ccc(CN2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)o1 ZINC000014542214 558660449 /nfs/dbraw/zinc/66/04/49/558660449.db2.gz YCDPUECVUOKLHF-UHFFFAOYSA-N 0 3 410.518 3.098 50 0 HGAAHN CN(C(=O)CC1=CSC2=NCCCN12)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000014948998 558680507 /nfs/dbraw/zinc/68/05/07/558680507.db2.gz MQYSHPASJSINML-LJQANCHMSA-N 0 3 410.587 3.117 50 0 HGAAHN CN(C(=O)CC1=CSC2=NCCCN12)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000014949001 558680523 /nfs/dbraw/zinc/68/05/23/558680523.db2.gz MQYSHPASJSINML-IBGZPJMESA-N 0 3 410.587 3.117 50 0 HGAAHN CC(C)C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccccc1-c1ccco1)CC2 ZINC000015001195 558697896 /nfs/dbraw/zinc/69/78/96/558697896.db2.gz UMUCXALRBKTDNB-KRWDZBQOSA-N 0 3 407.518 3.430 50 0 HGAAHN CCN1CCN(C2CCN(C(=O)COc3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000019885504 558852536 /nfs/dbraw/zinc/85/25/36/558852536.db2.gz BODMOCLWYAYDCG-UHFFFAOYSA-N 0 3 407.558 3.361 50 0 in-vitro HGAAHN CCc1cc2c(ncnc2N2CCC(C(=O)NCCN3CCC(C)CC3)CC2)s1 ZINC000033078239 558867676 /nfs/dbraw/zinc/86/76/76/558867676.db2.gz CXRNOAXCRLWBRM-UHFFFAOYSA-N 0 3 415.607 3.318 50 0 HGAAHN CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1cnc[nH]1)CC2 ZINC000055073963 558871521 /nfs/dbraw/zinc/87/15/21/558871521.db2.gz WXCBDDYWEHOCCP-RTWAWAEBSA-N 0 3 406.486 3.036 50 0 HGAAHN CCOC(=O)N1CCN(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC1 ZINC000019530611 558911463 /nfs/dbraw/zinc/91/14/63/558911463.db2.gz KFKSNAFAOIGHOI-UHFFFAOYSA-N 0 3 407.514 3.159 50 0 HGAAHN O=C(NCCN1CCCCC1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000058412569 558925108 /nfs/dbraw/zinc/92/51/08/558925108.db2.gz QWPSUPOANKZLBC-INIZCTEOSA-N 0 3 409.372 3.061 50 0 HGAAHN COc1ccc(NC(=O)[C@H](C)NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 ZINC000060091007 558940716 /nfs/dbraw/zinc/94/07/16/558940716.db2.gz NWGNSTNWUDRDGU-INIZCTEOSA-N 0 3 412.486 3.089 50 0 HGAAHN COc1ccc(NC(=O)[C@@H](C)NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 ZINC000060091009 558940830 /nfs/dbraw/zinc/94/08/30/558940830.db2.gz NWGNSTNWUDRDGU-MRXNPFEDSA-N 0 3 412.486 3.089 50 0 HGAAHN CCNc1cc(N2CCN(C(=O)Nc3ccc(OC)c(Cl)c3)CC2)nc(C)n1 ZINC000067612790 558989013 /nfs/dbraw/zinc/98/90/13/558989013.db2.gz BLGYJZQVEZQQRJ-UHFFFAOYSA-N 0 3 404.902 3.233 50 0 HGAAHN COC(=O)N1CCCC[C@H]1C(=O)N(CCc1ccccc1)CC1CCN(C)CC1 ZINC000095507880 559083376 /nfs/dbraw/zinc/08/33/76/559083376.db2.gz BDRIUILKGJPETR-NRFANRHFSA-N 0 3 401.551 3.020 50 0 HGAAHN Cc1cccc(-c2noc(CS(=O)(=O)C(C)C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)n2)c1 ZINC000248088057 559262039 /nfs/dbraw/zinc/26/20/39/559262039.db2.gz LPJNKQHHPWMHDS-YFHUEUNASA-N 0 3 419.547 3.289 50 0 HGAAHN O=C(Nc1cccc(OC(F)F)c1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000107148811 560895387 /nfs/dbraw/zinc/89/53/87/560895387.db2.gz SJZWHCIWHXUESG-APWZRJJASA-N 0 3 405.445 3.293 50 0 HGAAHN CN(C)Cc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1 ZINC000048365919 568441954 /nfs/dbraw/zinc/44/19/54/568441954.db2.gz VWQMARBCZAMYHM-UHFFFAOYSA-N 0 3 418.563 3.147 50 0 HGAAHN C[C@H]1C[C@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)CCN1Cc1ccccc1 ZINC000095408976 568606579 /nfs/dbraw/zinc/60/65/79/568606579.db2.gz RIQLCABSCOHFIC-PZJWPPBQSA-N 0 3 421.541 3.362 50 0 HGAAHN Cc1nnc2c(NCCCN3CCN(Cc4ccccc4)CC3)nc3ccccc3n12 ZINC000020488585 568613763 /nfs/dbraw/zinc/61/37/63/568613763.db2.gz PMSIIGNEIUZFEK-UHFFFAOYSA-N 0 3 415.545 3.206 50 0 HGAAHN COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccnc2)cc1 ZINC000229884425 568715763 /nfs/dbraw/zinc/71/57/63/568715763.db2.gz CAKLGVMOEACNNO-PWRODBHTSA-N 0 3 401.422 3.141 50 0 HGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccnc4)[C@@H]3C2=O)cc1 ZINC000229884425 568715764 /nfs/dbraw/zinc/71/57/64/568715764.db2.gz CAKLGVMOEACNNO-PWRODBHTSA-N 0 3 401.422 3.141 50 0 HGAAHN C[C@@]12C[C@@H](c3ccccc3O1)C(S(=O)(=O)c1ccc(Br)cc1)C(=O)N2 ZINC000012438046 568723112 /nfs/dbraw/zinc/72/31/12/568723112.db2.gz FEAIIMRPTFULDF-LESCRADOSA-N 0 3 422.300 3.004 50 0 HGAAHN CCOC(=O)Nc1nc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cs1 ZINC000012440518 568723534 /nfs/dbraw/zinc/72/35/34/568723534.db2.gz XJDVYYQHTVYPKU-UHFFFAOYSA-N 0 3 402.520 3.035 50 0 HGAAHN CCc1ccc(N2CC[C@H](C(=O)NCCCN3CCc4ccccc4C3)C2=O)cc1 ZINC000021642760 568727788 /nfs/dbraw/zinc/72/77/88/568727788.db2.gz SOQVPJDHXIWPDL-HSZRJFAPSA-N 0 3 405.542 3.167 50 0 HGAAHN CN(C)C(=O)c1cc2c(s1)CC[C@H](C(=O)N1CCN(C3CCCCC3)CC1)C2 ZINC000096398279 568746877 /nfs/dbraw/zinc/74/68/77/568746877.db2.gz NLBLKPBQCOANDK-INIZCTEOSA-N 0 3 403.592 3.032 50 0 HGAAHN O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000056479465 568807786 /nfs/dbraw/zinc/80/77/86/568807786.db2.gz GAAOUYSITZOJOK-HXUWFJFHSA-N 0 3 418.541 3.210 50 0 HGAAHN COC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000057414189 568833357 /nfs/dbraw/zinc/83/33/57/568833357.db2.gz USYQTEPNQGYTFN-HSZRJFAPSA-N 0 3 419.525 3.422 50 0 HGAAHN CN(C)Cc1ccccc1CNC(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000012584648 568865866 /nfs/dbraw/zinc/86/58/66/568865866.db2.gz ICBOGSNWDHEZQE-UHFFFAOYSA-N 0 3 411.571 3.393 50 0 HGAAHN Cc1cnc(-n2ncc(C(=O)N3CC[C@@H](N(C)C)C3)c2C2CC2)nc1-c1cccs1 ZINC000299766018 568873728 /nfs/dbraw/zinc/87/37/28/568873728.db2.gz ANYQDJIDGHNLHQ-MRXNPFEDSA-N 0 3 422.558 3.353 50 0 HGAAHN CCOC(=O)N1CCN(c2nc3c(C)cccc3cc2CNC[C@H]2CCCO2)CC1 ZINC000299779664 568875025 /nfs/dbraw/zinc/87/50/25/568875025.db2.gz UYUZGHVQAXJVQS-HXUWFJFHSA-N 0 3 412.534 3.090 50 0 HGAAHN Cc1ccc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)cc1 ZINC000299787522 568875664 /nfs/dbraw/zinc/87/56/64/568875664.db2.gz MTBUDESHDONICE-QHCPKHFHSA-N 0 3 412.505 3.405 50 0 HGAAHN O=C(Cn1ncc2ccccc2c1=O)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000670445284 568911144 /nfs/dbraw/zinc/91/11/44/568911144.db2.gz MBKRLNCHQFGYDX-QFIPXVFZSA-N 0 3 404.514 3.130 50 0 HGAAHN COc1ccc2c(c1)C=C(CN1CCN(Cc3ccccc3C)[C@H](CCO)C1)CO2 ZINC000106689679 569009121 /nfs/dbraw/zinc/00/91/21/569009121.db2.gz VOZDFMKRDAILGC-HSZRJFAPSA-N 0 3 408.542 3.348 50 0 HGAAHN NC(=O)N[C@H](CC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000012851992 569010527 /nfs/dbraw/zinc/01/05/27/569010527.db2.gz DPKWGPFQVUYMIA-HXUWFJFHSA-N 0 3 414.937 3.220 50 0 HGAAHN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCCN4CCCCC4)C3)nn2)cc1 ZINC000035398056 569035054 /nfs/dbraw/zinc/03/50/54/569035054.db2.gz OQDPSEJSFCBUJO-NRFANRHFSA-N 0 3 407.562 3.271 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000035429204 569036647 /nfs/dbraw/zinc/03/66/47/569036647.db2.gz MIYSYOWGJZUUAL-OAQYLSRUSA-N 0 3 411.933 3.474 50 0 HGAAHN C[C@@H]1CCCCN1CCNC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035454047 569037866 /nfs/dbraw/zinc/03/78/66/569037866.db2.gz JHXQAULVEPFVOL-GOSISDBHSA-N 0 3 410.562 3.401 50 0 HGAAHN CN(C)CCNC(=O)[C@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C ZINC000006363856 569046011 /nfs/dbraw/zinc/04/60/11/569046011.db2.gz BDCTYTCNIRVWSR-NVXWUHKLSA-N 0 3 413.971 3.369 50 0 HGAAHN COc1ccc(OC)c(CNc2ccc(CC(=O)NCCN3CCCCC3)cc2)c1 ZINC000035830163 569061877 /nfs/dbraw/zinc/06/18/77/569061877.db2.gz DGMNPNLGKLJOPH-UHFFFAOYSA-N 0 3 411.546 3.461 50 0 HGAAHN CCCN1CC[C@@H](NC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1 ZINC000426683800 569073835 /nfs/dbraw/zinc/07/38/35/569073835.db2.gz LBOBTQHPQWCXTD-MRXNPFEDSA-N 0 3 402.564 3.125 50 0 HGAAHN CC[C@H](C)N(CCNC(=O)c1ccc2c(c1)nc(C)c(=O)n2C)Cc1cccs1 ZINC000064858975 569109342 /nfs/dbraw/zinc/10/93/42/569109342.db2.gz YJEAKFANTKHVJJ-HNNXBMFYSA-N 0 3 412.559 3.334 50 0 HGAAHN CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)CC(C)C ZINC000036249797 569119181 /nfs/dbraw/zinc/11/91/81/569119181.db2.gz GDDLKVRLMZTFTQ-FQEVSTJZSA-N 0 3 417.550 3.034 50 0 HGAAHN Cc1c(C(=O)NCCCN(C)Cc2ccccc2)cccc1-n1nnc2cccnc21 ZINC000064925763 569122792 /nfs/dbraw/zinc/12/27/92/569122792.db2.gz HBVZRNPEOJZZJG-UHFFFAOYSA-N 0 3 414.513 3.376 50 0 HGAAHN COc1ccc(NC(=O)N2CCc3c2cccc3C(=O)NC2CCN(C)CC2)cc1 ZINC000065210153 569196070 /nfs/dbraw/zinc/19/60/70/569196070.db2.gz JKWPRIXXLSRLSO-UHFFFAOYSA-N 0 3 408.502 3.114 50 0 HGAAHN Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCCCN1CCc2ccccc2C1 ZINC000065329678 569224777 /nfs/dbraw/zinc/22/47/77/569224777.db2.gz JDZPEDBUXZTFPE-UHFFFAOYSA-N 0 3 422.529 3.132 50 0 HGAAHN COc1ccc(CNCCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000237375482 569281920 /nfs/dbraw/zinc/28/19/20/569281920.db2.gz LZVQSZBBQCILJP-UHFFFAOYSA-N 0 3 405.901 3.316 50 0 HGAAHN CC(C)(C)OC[C@@H](O)CN1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000252502971 569291173 /nfs/dbraw/zinc/29/11/73/569291173.db2.gz UWBXACWPVSKEFL-IBGZPJMESA-N 0 3 424.541 3.324 50 0 HGAAHN CC(C)c1ccc([C@@H](N)CNC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)cc1 ZINC000170676894 569297902 /nfs/dbraw/zinc/29/79/02/569297902.db2.gz KAPZNRBXHNDJKM-SFHVURJKSA-N 0 3 410.486 3.377 50 0 HGAAHN Cc1ccccc1CNC(=O)[C@H](C)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000195675468 569312932 /nfs/dbraw/zinc/31/29/32/569312932.db2.gz RLATZYFAFWOKSY-SFHVURJKSA-N 0 3 410.514 3.066 50 0 HGAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)c4ccsc4)CC3)C2)CC1 ZINC000581819676 569320751 /nfs/dbraw/zinc/32/07/51/569320751.db2.gz AWRQGJNNVMQLCL-FQEVSTJZSA-N 0 3 405.608 3.176 50 0 HGAAHN COc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(OC(F)(F)Cl)cc3)C2=O)cc1 ZINC000012420699 569401161 /nfs/dbraw/zinc/40/11/61/569401161.db2.gz LLMXCEQVXZVKLR-QGZVFWFLSA-N 0 3 424.831 3.327 50 0 HGAAHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000238881510 571046485 /nfs/dbraw/zinc/04/64/85/571046485.db2.gz AIRJRZRRFRLGKT-VAMGGRTRSA-N 0 3 418.405 3.117 50 0 HGAAHN C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000040106753 571167303 /nfs/dbraw/zinc/16/73/03/571167303.db2.gz GDSXYUIMBLKSDA-QGZVFWFLSA-N 0 3 415.559 3.363 50 0 HGAAHN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000040106753 571167304 /nfs/dbraw/zinc/16/73/04/571167304.db2.gz GDSXYUIMBLKSDA-QGZVFWFLSA-N 0 3 415.559 3.363 50 0 HGAAHN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](C(C)C)N[C@@]23c2cc(C)ccc2NC3=O)c1 ZINC000009042713 571215161 /nfs/dbraw/zinc/21/51/61/571215161.db2.gz GDXJQZFJTRLPIA-PDOGEWKWSA-N 0 3 423.513 3.432 50 0 HGAAHN Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CC[C@@H](c3ccccc3)C2)CC1 ZINC000069620802 571234512 /nfs/dbraw/zinc/23/45/12/571234512.db2.gz LWJKVCUKLNURFR-OAQYLSRUSA-N 0 3 405.542 3.205 50 0 HGAAHN CCC(C)(C)NCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000009336782 571249290 /nfs/dbraw/zinc/24/92/90/571249290.db2.gz BWTPXUWKVVASTN-UHFFFAOYSA-N 0 3 401.960 3.231 50 0 HGAAHN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C ZINC000009836242 571287864 /nfs/dbraw/zinc/28/78/64/571287864.db2.gz WSXDPRDISNYBCL-NRFANRHFSA-N 0 3 421.538 3.310 50 0 HGAAHN CN(C)Cc1ccccc1CNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000009917506 571290201 /nfs/dbraw/zinc/29/02/01/571290201.db2.gz TZGLKXVXILFDCD-UHFFFAOYSA-N 0 3 424.570 3.105 50 0 HGAAHN COc1ccc(C(=O)N2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1OC ZINC000001457266 132246595 /nfs/dbraw/zinc/24/65/95/132246595.db2.gz RJYUMDGHODAPDM-UHFFFAOYSA-N 0 3 409.530 3.131 50 0 HGAAHN CCN1CCN(CCCNC(=O)c2c3ccccc3nnc2-c2ccccc2)CC1 ZINC000032953098 521680889 /nfs/dbraw/zinc/68/08/89/521680889.db2.gz WCKRJGXXNYXCFY-UHFFFAOYSA-N 0 3 403.530 3.054 50 0 HGAAHN CCN1CCN(Cc2ccc(NC(=O)c3cc(OC)c(OC)cc3OC)cc2)CC1 ZINC000032915635 521688342 /nfs/dbraw/zinc/68/83/42/521688342.db2.gz VUAIJXZDOWLEPX-UHFFFAOYSA-N 0 3 413.518 3.102 50 0 HGAAHN CN(C)CCN(C)C(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355844 524060714 /nfs/dbraw/zinc/06/07/14/524060714.db2.gz UNEARHZIBGNUCE-UHFFFAOYSA-N 0 3 401.319 3.336 50 0 HGAAHN CNC(=O)[C@@H]1C[C@H](NCc2cccc(C(F)(F)F)c2)CN1C1Cc2ccccc2C1 ZINC000032519432 524089346 /nfs/dbraw/zinc/08/93/46/524089346.db2.gz PABMATGIYXSUIM-FPOVZHCZSA-N 0 3 417.475 3.151 50 0 HGAAHN CCC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000001501665 557270461 /nfs/dbraw/zinc/27/04/61/557270461.db2.gz HWIAYULEJNXAAI-UHFFFAOYSA-N 0 3 414.571 3.493 50 0 HGAAHN Cc1cc([C@H]2C[C@@H](C(=O)NCCN(C)C)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000034715483 557429015 /nfs/dbraw/zinc/42/90/15/557429015.db2.gz AJUCGIIGBBADAM-LEWJYISDSA-N 0 3 411.521 3.058 50 0 HGAAHN CC(C)(C)c1ccc(OC[C@@H](O)CNCCNc2nccc(C(F)(F)F)n2)cc1 ZINC000004299451 557537374 /nfs/dbraw/zinc/53/73/74/557537374.db2.gz KWZDGFZQAPLLNE-HNNXBMFYSA-N 0 3 412.456 3.234 50 0 HGAAHN CCN(CC)CCn1c2ccccc2n(C[C@H](O)c2ccc(OC)c(OC)c2)c1=N ZINC000004599216 557571009 /nfs/dbraw/zinc/57/10/09/557571009.db2.gz IJVTWTIBZLNBPS-FQEVSTJZSA-N 0 3 412.534 3.015 50 0 HGAAHN CCOc1ccccc1N1C(=O)C[C@@H](NCCc2c[nH]c3ccc(OC)cc23)C1=O ZINC000005274549 557642915 /nfs/dbraw/zinc/64/29/15/557642915.db2.gz BRBRWHQVMVBDIO-LJQANCHMSA-N 0 3 407.470 3.039 50 0 HGAAHN CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)CN3CCc4ccccc4C3)cc21 ZINC000009970620 557852544 /nfs/dbraw/zinc/85/25/44/557852544.db2.gz TUPOTXLSGDRCON-HXUWFJFHSA-N 0 3 422.525 3.461 50 0 HGAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)c2cn3ccccc3n2)CC1 ZINC000011664322 558267879 /nfs/dbraw/zinc/26/78/79/558267879.db2.gz WJGFARXWFFWPES-UHFFFAOYSA-N 0 3 406.530 3.370 50 0 HGAAHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccc(OC)cc1 ZINC000019819136 558289346 /nfs/dbraw/zinc/28/93/46/558289346.db2.gz WQAHYOWGOSACTL-GOSISDBHSA-N 0 3 412.417 3.273 50 0 HGAAHN COc1ccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1OC ZINC000019880269 558300819 /nfs/dbraw/zinc/30/08/19/558300819.db2.gz QUFCNGNHCKGMCY-UHFFFAOYSA-N 0 3 409.574 3.486 50 0 HGAAHN OCCN1CCN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000019891697 558303246 /nfs/dbraw/zinc/30/32/46/558303246.db2.gz IWNJWRRJZAETQO-KRWDZBQOSA-N 0 3 422.356 3.072 50 0 HGAAHN O=C(NC[C@@H]1CCC2(CCN(Cc3cc4ccccc4o3)CC2)O1)C1CCOCC1 ZINC000011964018 558303997 /nfs/dbraw/zinc/30/39/97/558303997.db2.gz ANUJYHMFEHXXIC-FQEVSTJZSA-N 0 3 412.530 3.489 50 0 HGAAHN Cc1nc(C(=O)NC[C@H]2CCC3(CCN(Cc4cccc(C)n4)CC3)O2)cs1 ZINC000011982896 558306339 /nfs/dbraw/zinc/30/63/39/558306339.db2.gz ZHGDWVLDQSXKCG-GOSISDBHSA-N 0 3 400.548 3.099 50 0 HGAAHN COc1cccc(-n2c(CNC(=O)C3CCCCC3)nnc2SCCN(C)C)c1 ZINC000012160026 558341625 /nfs/dbraw/zinc/34/16/25/558341625.db2.gz YXDZIQMAMQWVQH-UHFFFAOYSA-N 0 3 417.579 3.126 50 0 HGAAHN CCn1nc(C)c(CN2CCC3(CC[C@@H](CNC(=O)c4ccco4)O3)CC2)c1C ZINC000012165169 558342204 /nfs/dbraw/zinc/34/22/04/558342204.db2.gz LYNRJBSJVCXBIB-SFHVURJKSA-N 0 3 400.523 3.056 50 0 HGAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1cccc(C)n1 ZINC000012300258 558370066 /nfs/dbraw/zinc/37/00/66/558370066.db2.gz OOBDKBPLGJJQMJ-UHFFFAOYSA-N 0 3 411.546 3.399 50 0 HGAAHN COc1ccc(CN2CCC(CO)(Cc3ccccc3)CC2)cc1Cn1cncn1 ZINC000012300094 558370126 /nfs/dbraw/zinc/37/01/26/558370126.db2.gz OLFPIPOKUTXSPF-UHFFFAOYSA-N 0 3 406.530 3.152 50 0 HGAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1n[nH]c2c1CCC2 ZINC000012306396 558375249 /nfs/dbraw/zinc/37/52/49/558375249.db2.gz JVAMWLYMVROHGT-IBGZPJMESA-N 0 3 410.562 3.324 50 0 HGAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1n[nH]c2c1CCC2 ZINC000012306394 558375337 /nfs/dbraw/zinc/37/53/37/558375337.db2.gz JVAMWLYMVROHGT-LJQANCHMSA-N 0 3 410.562 3.324 50 0 HGAAHN Cc1nccn1CCCNCc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000012306823 558375671 /nfs/dbraw/zinc/37/56/71/558375671.db2.gz DSZHJDDZIHOWON-UHFFFAOYSA-N 0 3 414.579 3.487 50 0 HGAAHN O=C1c2cccc3cccc(c32)C(=O)N1CCN1CCN(CCc2ccccc2)CC1 ZINC000020500277 558380706 /nfs/dbraw/zinc/38/07/06/558380706.db2.gz RTWCXCDLDYNSLO-UHFFFAOYSA-N 0 3 413.521 3.296 50 0 HGAAHN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3ccc(CO)o3)C2)c(OC)c1 ZINC000012386028 558394712 /nfs/dbraw/zinc/39/47/12/558394712.db2.gz LBOSCTWNGUFEGM-QGZVFWFLSA-N 0 3 416.518 3.098 50 0 HGAAHN COc1ccc(OC)c(CC(=O)N(C)[C@@H]2CCCN(C3Cc4ccccc4C3)C2)c1 ZINC000012443672 558412981 /nfs/dbraw/zinc/41/29/81/558412981.db2.gz OIXXVLHBSKECFE-OAQYLSRUSA-N 0 3 408.542 3.337 50 0 HGAAHN COC(=O)c1ccc(CN2CCC[C@H](CNC(=O)Cc3ccc(OC)cc3)C2)cc1 ZINC000012464014 558419950 /nfs/dbraw/zinc/41/99/50/558419950.db2.gz VKIPHTCAMKBSOV-HXUWFJFHSA-N 0 3 410.514 3.053 50 0 HGAAHN Cc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000020914933 558422648 /nfs/dbraw/zinc/42/26/48/558422648.db2.gz QDVAENFCTHNGKO-OAQYLSRUSA-N 0 3 407.518 3.365 50 0 HGAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1 ZINC000021793665 558449118 /nfs/dbraw/zinc/44/91/18/558449118.db2.gz GGDHDNARLZFINR-UHFFFAOYSA-N 0 3 419.451 3.366 50 0 HGAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)C1=C(C)OCCO1 ZINC000012715993 558455087 /nfs/dbraw/zinc/45/50/87/558455087.db2.gz QKAICAXVWIDWPR-HXUWFJFHSA-N 0 3 402.535 3.077 50 0 HGAAHN CCOC(=O)c1ccc(N2C(=O)C[C@H](NCC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000022063385 558460770 /nfs/dbraw/zinc/46/07/70/558460770.db2.gz ISNMVAZRFKSKNY-ZDCBYCKXSA-N 0 3 410.514 3.301 50 0 HGAAHN COc1ccc(CN2CCCN(Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)cc1 ZINC000023008240 558530133 /nfs/dbraw/zinc/53/01/33/558530133.db2.gz WDPDWEMJLURIRO-UHFFFAOYSA-N 0 3 412.921 3.064 50 0 HGAAHN CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000004451906 558587946 /nfs/dbraw/zinc/58/79/46/558587946.db2.gz ISNMVAZRFKSKNY-XOQVKLMPSA-N 0 3 410.514 3.301 50 0 HGAAHN COc1ccc(OC)c(S(=O)(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000014189629 558632410 /nfs/dbraw/zinc/63/24/10/558632410.db2.gz AVUVSEFUFATMAL-UHFFFAOYSA-N 0 3 404.532 3.168 50 0 HGAAHN Cc1ccc(S(=O)(=O)CCC(=O)NCC2(N3CCCCC3)CCCCC2)cc1 ZINC000014237959 558642393 /nfs/dbraw/zinc/64/23/93/558642393.db2.gz UYILMWIAGSNWKP-UHFFFAOYSA-N 0 3 406.592 3.464 50 0 HGAAHN CCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(Cc2ccncc2)C1 ZINC000014534296 558657403 /nfs/dbraw/zinc/65/74/03/558657403.db2.gz WIIKSRNNBUXMCJ-RBUKOAKNSA-N 0 3 412.509 3.214 50 0 HGAAHN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](NCc1cccc(F)c1F)CC2 ZINC000014731403 558665484 /nfs/dbraw/zinc/66/54/84/558665484.db2.gz OWESAATYWPFAMT-OAHLLOKOSA-N 0 3 414.456 3.211 50 0 HGAAHN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](NCc1cccc(F)c1F)CC2 ZINC000014731405 558665505 /nfs/dbraw/zinc/66/55/05/558665505.db2.gz OWESAATYWPFAMT-HNNXBMFYSA-N 0 3 414.456 3.211 50 0 HGAAHN CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1ccc3c(c1)OCO3)C2 ZINC000014732927 558665970 /nfs/dbraw/zinc/66/59/70/558665970.db2.gz XDNJEJNGNXRKEN-SFHVURJKSA-N 0 3 424.545 3.295 50 0 HGAAHN COc1cccc(CN2CCC3(CC2)C(=O)N(CCc2ccccc2)C(=O)N3C)c1 ZINC000014744226 558668324 /nfs/dbraw/zinc/66/83/24/558668324.db2.gz RTDGMMIMRUKRRL-UHFFFAOYSA-N 0 3 407.514 3.167 50 0 HGAAHN CN(C)[C@@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2C2CC2)C1 ZINC000014968164 558686277 /nfs/dbraw/zinc/68/62/77/558686277.db2.gz ZETSBZQELHMWFU-MRXNPFEDSA-N 0 3 420.492 3.122 50 0 HGAAHN O=C(CC1=CSC2=NCCN12)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000015063222 558705855 /nfs/dbraw/zinc/70/58/55/558705855.db2.gz PITXUUHWSSCJPL-QFIPXVFZSA-N 0 3 414.550 3.290 50 0 HGAAHN C[C@H](C(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)n1cncn1 ZINC000015071336 558713021 /nfs/dbraw/zinc/71/30/21/558713021.db2.gz FGWLFUBMZBTAFD-MRXNPFEDSA-N 0 3 423.483 3.271 50 0 HGAAHN C[C@@H](C(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)n1cncn1 ZINC000015071334 558713025 /nfs/dbraw/zinc/71/30/25/558713025.db2.gz FGWLFUBMZBTAFD-INIZCTEOSA-N 0 3 423.483 3.271 50 0 HGAAHN c1cc(-c2nc3ccccc3s2)oc1CNC[C@@H]([C@H]1CCOC1)N1CCOCC1 ZINC000030666083 558735320 /nfs/dbraw/zinc/73/53/20/558735320.db2.gz BRLLBEUFWOPHSD-LPHOPBHVSA-N 0 3 413.543 3.383 50 0 HGAAHN NC(=O)COc1ccc(CNC[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1 ZINC000030910959 558744450 /nfs/dbraw/zinc/74/44/50/558744450.db2.gz QICKLAXIRBSVBN-LJQANCHMSA-N 0 3 405.901 3.270 50 0 HGAAHN COc1cc(OC)c(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)c(OC)c1 ZINC000039394860 558820873 /nfs/dbraw/zinc/82/08/73/558820873.db2.gz BPVSHKNEWYZKEU-LJQANCHMSA-N 0 3 406.567 3.161 50 0 HGAAHN COc1cccc2ccc(CN3CCN(CCc4ccccc4)[C@H](CCO)C3)nc21 ZINC000039537967 558822287 /nfs/dbraw/zinc/82/22/87/558822287.db2.gz WUINPJBDPAYTCV-HSZRJFAPSA-N 0 3 405.542 3.355 50 0 HGAAHN CC1CCN([C@@H](CNC(=O)C2CCN(C(=O)C3CC3)CC2)c2cccs2)CC1 ZINC000033028218 558851845 /nfs/dbraw/zinc/85/18/45/558851845.db2.gz NMLISWKWULQOCL-IBGZPJMESA-N 0 3 403.592 3.286 50 0 HGAAHN CC1CCN([C@H](CNC(=O)C2CCN(C(=O)C3CC3)CC2)c2cccs2)CC1 ZINC000033028219 558851900 /nfs/dbraw/zinc/85/19/00/558851900.db2.gz NMLISWKWULQOCL-LJQANCHMSA-N 0 3 403.592 3.286 50 0 HGAAHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cn2ccccc2n1 ZINC000060367733 558889539 /nfs/dbraw/zinc/88/95/39/558889539.db2.gz YYKVDSYYZPNKBO-UHFFFAOYSA-N 0 3 404.436 3.486 50 0 HGAAHN O=C(CCCNC(=O)NC1CCCCC1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000058131125 558900629 /nfs/dbraw/zinc/90/06/29/558900629.db2.gz QVONLLHHKGKQGA-NRFANRHFSA-N 0 3 414.594 3.427 50 0 HGAAHN C[C@@H]1CCN(C(=O)CN2CCC(CCN3CCOCC3)CC2)c2ccccc2S1 ZINC000058161530 558905774 /nfs/dbraw/zinc/90/57/74/558905774.db2.gz WIOAGRONJKKSSH-LJQANCHMSA-N 0 3 417.619 3.338 50 0 HGAAHN CN(C)Cc1ccccc1CNC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000058406325 558924522 /nfs/dbraw/zinc/92/45/22/558924522.db2.gz UZLHYIDGIXIQGQ-MRXNPFEDSA-N 0 3 402.489 3.352 50 0 HGAAHN Cc1cc(C)cc(C(=O)N2CCN(C(=O)NCc3ccccc3CN(C)C)CC2)c1 ZINC000058438530 558927115 /nfs/dbraw/zinc/92/71/15/558927115.db2.gz UAVYKVKSLOEPDQ-UHFFFAOYSA-N 0 3 408.546 3.033 50 0 HGAAHN COc1cc(OC)c(-c2c(-c3ccccc3)ncn2C[C@@H]2CNCCO2)cc1OC ZINC000065455655 558977682 /nfs/dbraw/zinc/97/76/82/558977682.db2.gz VCGUTDBEDWJRBG-KRWDZBQOSA-N 0 3 409.486 3.231 50 0 HGAAHN O=C(NCC1CCN(Cc2ccccc2F)CC1)c1ccc2c(c1)nc1n2CCOC1 ZINC000021943173 558979602 /nfs/dbraw/zinc/97/96/02/558979602.db2.gz YONXDBAQCDAQKP-UHFFFAOYSA-N 0 3 422.504 3.348 50 0 HGAAHN CN(C)CCOc1cccc2c1c(NC(=O)[C@H]1CCOC1)nn2-c1cccc(F)c1 ZINC000072435347 558980112 /nfs/dbraw/zinc/98/01/12/558980112.db2.gz GLBDCYVSVKIDMM-HNNXBMFYSA-N 0 3 412.465 3.080 50 0 HGAAHN CN(C)Cc1ccccc1CNC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000096891905 558993973 /nfs/dbraw/zinc/99/39/73/558993973.db2.gz CJJOMTMPTNWRLX-SEYXRHQNSA-N 0 3 405.542 3.316 50 0 HGAAHN Cc1sc2ccn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)NCCN1CCCC1 ZINC000097123829 558995822 /nfs/dbraw/zinc/99/58/22/558995822.db2.gz XAGJNRRBTWFHGJ-UHFFFAOYSA-N 0 3 413.518 3.384 50 0 HGAAHN COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1 ZINC000023127662 559016036 /nfs/dbraw/zinc/01/60/36/559016036.db2.gz PPAQWWUIDZKJRC-UHFFFAOYSA-N 0 3 402.560 3.069 50 0 HGAAHN COc1c(C)cnc(CN2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)c1C ZINC000091547603 559072129 /nfs/dbraw/zinc/07/21/29/559072129.db2.gz UCVHCFDAPNABEE-LJQANCHMSA-N 0 3 401.551 3.091 50 0 HGAAHN CCc1ccccc1OCCN1CC[C@@]2(O)CCN(C(=O)C3CCCC3)C[C@H]2C1 ZINC000095384428 559080714 /nfs/dbraw/zinc/08/07/14/559080714.db2.gz IRYXXAUURUUMOY-ZJSXRUAMSA-N 0 3 400.563 3.103 50 0 HGAAHN O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095512923 559084470 /nfs/dbraw/zinc/08/44/70/559084470.db2.gz VCNQOTOPTWYLKS-SFHVURJKSA-N 0 3 400.494 3.495 50 0 HGAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccccc3C)nc1=O)CCC2 ZINC000004851762 559191259 /nfs/dbraw/zinc/19/12/59/559191259.db2.gz SCBCCSHOXGWFHM-UHFFFAOYSA-N 0 3 414.575 3.113 50 0 HGAAHN Cc1cnc2ccccc2c1NC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000408519074 559213698 /nfs/dbraw/zinc/21/36/98/559213698.db2.gz WWXYVICLEYFOKJ-FQEVSTJZSA-N 0 3 404.514 3.244 50 0 HGAAHN O[C@H](COc1cccc(CNCc2cccnc2)c1)CN1CCc2ccccc2C1 ZINC000011937826 559268758 /nfs/dbraw/zinc/26/87/58/559268758.db2.gz HHVOYGQPYSNDEE-DEOSSOPVSA-N 0 3 403.526 3.169 50 0 HGAAHN COc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1Br ZINC000010544045 560770419 /nfs/dbraw/zinc/77/04/19/560770419.db2.gz LTJBWQVGFSIDCC-KBPBESRZSA-N 0 3 419.385 3.104 50 0 HGAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)c1 ZINC000102707553 560820758 /nfs/dbraw/zinc/82/07/58/560820758.db2.gz BQIMYQISQAQYDN-BHIFYINESA-N 0 3 416.433 3.452 50 0 HGAAHN C[C@@H]1CCCCN1CCNC(=O)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000248114672 560855008 /nfs/dbraw/zinc/85/50/08/560855008.db2.gz RVSLLEQIYSTXSK-CTNGQTDRSA-N 0 3 407.562 3.351 50 0 HGAAHN COc1ccccc1N(CCC(N)=O)C(=O)CN1CCC[C@@H]1CCc1ccccc1 ZINC000048362342 568441635 /nfs/dbraw/zinc/44/16/35/568441635.db2.gz BEENQSLUEJMGCT-HXUWFJFHSA-N 0 3 409.530 3.001 50 0 HGAAHN CSc1cccc(NC(=O)C2CC(=O)Nc3c2c(=O)[nH]c(=O)n3CCC(C)C)c1 ZINC000049551196 568452067 /nfs/dbraw/zinc/45/20/67/568452067.db2.gz ZUTOKBBCEPXYAW-AWEZNQCLSA-N 0 3 416.503 3.019 50 0 HGAAHN O=C(CS[C@H]1CCc2ccccc2NC1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000012323298 568471403 /nfs/dbraw/zinc/47/14/03/568471403.db2.gz OHHKDFVGJYKEAI-QFIPXVFZSA-N 0 3 423.582 3.454 50 0 HGAAHN CCCC(=O)N1CCCC[C@H]1C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000095457781 568618784 /nfs/dbraw/zinc/61/87/84/568618784.db2.gz PLMKWKXCCKJDKL-NRFANRHFSA-N 0 3 400.567 3.328 50 0 HGAAHN Cc1cc(C)c2c(-n3cccc3)nn(CC(=O)N3CCN(C4CCCCC4)CC3)c2n1 ZINC000021539911 568713243 /nfs/dbraw/zinc/71/32/43/568713243.db2.gz PTZQBCGMFOEZKM-UHFFFAOYSA-N 0 3 420.561 3.316 50 0 HGAAHN CCOC(=O)C1=C(CN[C@@H](C)CCc2ccccc2)NC(=O)N[C@H]1c1ccccc1 ZINC000085993824 568745032 /nfs/dbraw/zinc/74/50/32/568745032.db2.gz SLDFDPJKNPNUES-JTSKRJEESA-N 0 3 407.514 3.469 50 0 HGAAHN CCOC(=O)C1C(CN[C@@H](C)CCc2ccccc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000085993824 568745033 /nfs/dbraw/zinc/74/50/33/568745033.db2.gz SLDFDPJKNPNUES-JTSKRJEESA-N 0 3 407.514 3.469 50 0 HGAAHN O=S(=O)(NCc1ccccc1CN1CCCCC1)c1cccc2nsnc21 ZINC000019079011 568751903 /nfs/dbraw/zinc/75/19/03/568751903.db2.gz HGKGYBXPSKDUNQ-UHFFFAOYSA-N 0 3 402.545 3.156 50 0 HGAAHN CCCN1CCN(CCCNc2nc3c(cnn3C)c(Nc3cccc(C)c3)n2)CC1 ZINC000021928855 568761564 /nfs/dbraw/zinc/76/15/64/568761564.db2.gz OJOJMSAJPBKORC-UHFFFAOYSA-N 0 3 422.581 3.245 50 0 HGAAHN CN1c2cc(C(=O)N3CCN(C4CCCCC4)CC3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097077456 568767416 /nfs/dbraw/zinc/76/74/16/568767416.db2.gz VTFFVDBTVSQNDF-JOCHJYFZSA-N 0 3 410.562 3.179 50 0 HGAAHN CCN(CC)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccsc1 ZINC000029414868 568825201 /nfs/dbraw/zinc/82/52/01/568825201.db2.gz KHAHNCXLUMJNHS-IBGZPJMESA-N 0 3 421.588 3.002 50 0 HGAAHN C[C@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)N1CCc2sccc2C1 ZINC000031663798 568837686 /nfs/dbraw/zinc/83/76/86/568837686.db2.gz PVEPWNGYLNRJRX-GOSISDBHSA-N 0 3 412.603 3.459 50 0 HGAAHN O=C(CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)N1CCCC1 ZINC000299757085 568873018 /nfs/dbraw/zinc/87/30/18/568873018.db2.gz MMKHRGRVXVWTHB-RBBKRZOGSA-N 0 3 419.997 3.265 50 0 HGAAHN CC(C)N1CCN(c2ccc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)cc2)CC1 ZINC000058010263 568875302 /nfs/dbraw/zinc/87/53/02/568875302.db2.gz IOMHXGCVADPHMV-XMMPIXPASA-N 0 3 406.574 3.346 50 0 HGAAHN CN(CCC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1OC(F)(F)F ZINC000012736533 568925555 /nfs/dbraw/zinc/92/55/55/568925555.db2.gz CHKHLSQNIBFAJS-UHFFFAOYSA-N 0 3 409.408 3.433 50 0 HGAAHN CCOC(=O)c1csc(N2NC(C=Cc3ccco3)=C[C@@]2(O)C(F)(F)F)n1 ZINC000001411803 568931407 /nfs/dbraw/zinc/93/14/07/568931407.db2.gz JZHRPROKUYABGS-LLYBFZRZSA-N 0 3 401.366 3.443 50 0 HGAAHN COc1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCCC2)cc1 ZINC000012754327 568942294 /nfs/dbraw/zinc/94/22/94/568942294.db2.gz UBOBNMYEBPJCJE-NFBKMPQASA-N 0 3 421.541 3.310 50 0 HGAAHN CC(C)S(=O)(=O)CCCNC1(c2ccc(Br)cc2)CCOCC1 ZINC000084622133 568953357 /nfs/dbraw/zinc/95/33/57/568953357.db2.gz QMJDCLHJYKTITE-UHFFFAOYSA-N 0 3 404.370 3.258 50 0 HGAAHN C[C@@H]1CN(CCC(=O)NC[C@H](c2cccnc2)N2CCCCC2)Cc2ccccc2O1 ZINC000011842024 568987209 /nfs/dbraw/zinc/98/72/09/568987209.db2.gz FGSJMNRARDTAIL-NFBKMPQASA-N 0 3 422.573 3.398 50 0 HGAAHN COc1cc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)cc(OC)c1OC ZINC000104415456 569008642 /nfs/dbraw/zinc/00/86/42/569008642.db2.gz FJMWVTHKRMVVLX-OAQYLSRUSA-N 0 3 414.546 3.090 50 0 HGAAHN Cc1sc2ncn(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c2c1C ZINC000012874551 569013525 /nfs/dbraw/zinc/01/35/25/569013525.db2.gz QUYMWBJHDGQVGC-UHFFFAOYSA-N 0 3 424.570 3.246 50 0 HGAAHN Cc1ccc(-c2csc3ncn(CCC(=O)NCCN4CCCC4)c(=O)c23)cc1 ZINC000012914458 569022148 /nfs/dbraw/zinc/02/21/48/569022148.db2.gz CNIJSVCAOWYRMT-UHFFFAOYSA-N 0 3 410.543 3.036 50 0 HGAAHN CNC(=O)c1ccc(CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1 ZINC000012984800 569047681 /nfs/dbraw/zinc/04/76/81/569047681.db2.gz SBYQOHUAGNIKES-LJQANCHMSA-N 0 3 414.575 3.380 50 0 HGAAHN CCc1ccc(CN2CCc3c(C(=O)NC[C@H]4CCCCN4C)csc3C2)nc1 ZINC000426440212 569073120 /nfs/dbraw/zinc/07/31/20/569073120.db2.gz COSWIGQYBGTZST-LJQANCHMSA-N 0 3 412.603 3.478 50 0 HGAAHN C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000006659874 569084008 /nfs/dbraw/zinc/08/40/08/569084008.db2.gz DGSXCBZLHHKNJU-QGZVFWFLSA-N 0 3 406.482 3.341 50 0 biogenic HGAAHN COc1cccc(CN(Cc2nc(C(=O)NCCN(C)C)co2)[C@@H](C)C(C)C)c1 ZINC000036065592 569085909 /nfs/dbraw/zinc/08/59/09/569085909.db2.gz SEIAXYXEMQCUIW-KRWDZBQOSA-N 0 3 402.539 3.021 50 0 HGAAHN Cc1ccccc1C(=O)Nc1cnc(N2CCNCC2)c(C(=O)N2CCCCCC2)c1 ZINC000065025360 569156260 /nfs/dbraw/zinc/15/62/60/569156260.db2.gz URNYEUSLCSZYAX-UHFFFAOYSA-N 0 3 421.545 3.068 50 0 HGAAHN CN(C)CCn1nnc2cc(-c3noc(-c4ccccc4Br)n3)ccc21 ZINC000065254977 569207515 /nfs/dbraw/zinc/20/75/15/569207515.db2.gz IDIGKLYGPPFXAO-UHFFFAOYSA-N 0 3 413.279 3.472 50 0 HGAAHN COc1ccccc1CNC(=O)c1cccc(N2CCN[C@H](c3ccccc3)C2)n1 ZINC000065256219 569208182 /nfs/dbraw/zinc/20/81/82/569208182.db2.gz AZMCXODAGDHFOG-NRFANRHFSA-N 0 3 402.498 3.171 50 0 HGAAHN COc1ccccc1CNC(=O)c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1 ZINC000065256059 569208206 /nfs/dbraw/zinc/20/82/06/569208206.db2.gz OCLUMROCTJINSH-OAQYLSRUSA-N 0 3 402.498 3.171 50 0 HGAAHN CCCCN1CCN(C(=O)CCC2CCN(c3cc(NCCC)ncn3)CC2)CC1 ZINC000065274179 569214986 /nfs/dbraw/zinc/21/49/86/569214986.db2.gz ZHVHETFOIUTJQC-UHFFFAOYSA-N 0 3 416.614 3.239 50 0 HGAAHN CC1CCN(C(=O)c2cc3c(s2)CC[C@H](C(=O)NCCN2CCCCC2)C3)CC1 ZINC000065272640 569215846 /nfs/dbraw/zinc/21/58/46/569215846.db2.gz NQUZCSJIGKEAGS-SFHVURJKSA-N 0 3 417.619 3.327 50 0 HGAAHN COCCN1CC[C@@H](CNC(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000065505303 569232987 /nfs/dbraw/zinc/23/29/87/569232987.db2.gz HVCHBEIWSQJAKX-INIZCTEOSA-N 0 3 409.368 3.345 50 0 HGAAHN CC1(C)Oc2ccc(NC(=O)NCc3ccccc3CN3CCC[C@H]3CO)cc2O1 ZINC000170593779 569241317 /nfs/dbraw/zinc/24/13/17/569241317.db2.gz ATBQFAWLARIERC-IBGZPJMESA-N 0 3 411.502 3.472 50 0 HGAAHN CC(C)(C)OC[C@H](O)CN1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000252502972 569291159 /nfs/dbraw/zinc/29/11/59/569291159.db2.gz UWBXACWPVSKEFL-LJQANCHMSA-N 0 3 424.541 3.324 50 0 HGAAHN CN(C)C[C@@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1ccccc1 ZINC000007817193 569312859 /nfs/dbraw/zinc/31/28/59/569312859.db2.gz ITSFHXQIETWVIC-JOCHJYFZSA-N 0 3 412.493 3.418 50 0 HGAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)C4CCCCC4)CC3)C2)CC1 ZINC000581820221 569321093 /nfs/dbraw/zinc/32/10/93/569321093.db2.gz YRYGBGZIWBKZAT-QFIPXVFZSA-N 0 3 405.627 3.381 50 0 HGAAHN C[C@@H]1C[C@@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)CCN1Cc1ccccc1 ZINC000079025243 569424783 /nfs/dbraw/zinc/42/47/83/569424783.db2.gz NORMPTKZHRTKHA-QUCCMNQESA-N 0 3 406.530 3.101 50 0 HGAAHN O=S(=O)(NCc1ccccc1CN1CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000008719558 571106395 /nfs/dbraw/zinc/10/63/95/571106395.db2.gz FZFAFDPRQSJWDT-UHFFFAOYSA-N 0 3 416.543 3.312 50 0 HGAAHN COc1ccc(CNC(=O)c2ccc(N3CCN[C@@H](c4ccccc4)C3)nc2)cc1 ZINC000039229651 571121978 /nfs/dbraw/zinc/12/19/78/571121978.db2.gz NYJFZSWXSLEJAR-JOCHJYFZSA-N 0 3 402.498 3.171 50 0 HGAAHN CCN(CC)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1)c1ccsc1 ZINC000040089481 571159440 /nfs/dbraw/zinc/15/94/40/571159440.db2.gz CMCOUZWKSZPNGS-LPHOPBHVSA-N 0 3 403.548 3.393 50 0 HGAAHN C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000040106754 571167367 /nfs/dbraw/zinc/16/73/67/571167367.db2.gz GDSXYUIMBLKSDA-KRWDZBQOSA-N 0 3 415.559 3.363 50 0 HGAAHN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000040106754 571167371 /nfs/dbraw/zinc/16/73/71/571167371.db2.gz GDSXYUIMBLKSDA-KRWDZBQOSA-N 0 3 415.559 3.363 50 0 HGAAHN CCN1CCC[C@H]1CNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 ZINC000009433719 571258612 /nfs/dbraw/zinc/25/86/12/571258612.db2.gz ZFSZSONWAIXUSI-SFHVURJKSA-N 0 3 405.498 3.213 50 0 HGAAHN COc1ccc(Br)c(C(=O)NCC2CCN(c3ccncc3)CC2)c1 ZINC000070928782 571282116 /nfs/dbraw/zinc/28/21/16/571282116.db2.gz RTUIKXXRVWOCGG-UHFFFAOYSA-N 0 3 404.308 3.499 50 0 HGAAHN CCOC(=O)N1CCN(C(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000071280415 571290659 /nfs/dbraw/zinc/29/06/59/571290659.db2.gz DFPPCHQSLAENPK-UHFFFAOYSA-N 0 3 407.514 3.009 50 0 HGAAHN CC(C)Oc1ccc(CNC(=O)[C@H]2C[C@H]3CCCN3[C@]23c2ccccc2NC3=O)cc1 ZINC000020513424 571314629 /nfs/dbraw/zinc/31/46/29/571314629.db2.gz PBSJIQWVQCXEDT-IOZGHAEBSA-N 0 3 419.525 3.422 50 0 HGAAHN C[C@]1(C(=O)NCc2ccccc2)CCC(=O)N1C1CCN(Cc2ccccc2)CC1 ZINC000021776824 571314952 /nfs/dbraw/zinc/31/49/52/571314952.db2.gz REJKJXVYCSDQQA-RUZDIDTESA-N 0 3 405.542 3.349 50 0 HGAAHN COc1ccc(/C=C2\Sc3ccc(C(=O)NCCN(C)C)cc3N(C)C2=O)cc1 ZINC000004931976 132294967 /nfs/dbraw/zinc/29/49/67/132294967.db2.gz WAEYXPAAJQSPOR-MOSHPQCFSA-N 0 3 411.527 3.096 50 0 HGAAHN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(c2ccncc2)CC1 ZINC000008097934 132327477 /nfs/dbraw/zinc/32/74/77/132327477.db2.gz RPOCRTCRZBRTQM-UHFFFAOYSA-N 0 3 410.481 3.292 50 0 HGAAHN CCN1CCN(c2ccc(NC(=O)CCCNC(=O)c3ccsc3)cc2)CC1 ZINC000011948908 132352574 /nfs/dbraw/zinc/35/25/74/132352574.db2.gz GVQZIZZZCHCHJU-UHFFFAOYSA-N 0 3 400.548 3.039 50 0 HGAAHN CCOC(=O)C1CCN(C2CCN(c3nc(C)c4ccc(OC)cc4n3)CC2)CC1 ZINC000012034339 132353175 /nfs/dbraw/zinc/35/31/75/132353175.db2.gz RWFIBGUBPQFWMY-UHFFFAOYSA-N 0 3 412.534 3.191 50 0 HGAAHN Cc1cc(C)nc(N2CCC(CCC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)n1 ZINC000012574775 132364520 /nfs/dbraw/zinc/36/45/20/132364520.db2.gz DSQOCKVFRGGSFQ-QHCPKHFHSA-N 0 3 421.589 3.481 50 0 HGAAHN CC(C)Cc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1 ZINC000020600758 519439223 /nfs/dbraw/zinc/43/92/23/519439223.db2.gz QQQPZUGIPGQYPX-UHFFFAOYSA-N 0 3 421.545 3.100 50 0 HGAAHN CCOC(=O)c1ccc(NC(=O)CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000020458923 521491638 /nfs/dbraw/zinc/49/16/38/521491638.db2.gz XUAGZCVHOJFVGE-UHFFFAOYSA-N 0 3 409.530 3.400 50 0 HGAAHN CCc1ccc([C@H](CNC(=O)COc2ccc(N3CCCC3=O)cc2)N(C)C)cc1 ZINC000032733940 524049050 /nfs/dbraw/zinc/04/90/50/524049050.db2.gz VLDHYTYMSHMQSM-QFIPXVFZSA-N 0 3 409.530 3.174 50 0 HGAAHN Cc1ccc(CCC2CCN(CC(=O)N3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000032858133 524304062 /nfs/dbraw/zinc/30/40/62/524304062.db2.gz MCZCQLIMQJVDEN-UHFFFAOYSA-N 0 3 406.574 3.383 50 0 HGAAHN Cc1cc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)oc1C ZINC000020598432 524683987 /nfs/dbraw/zinc/68/39/87/524683987.db2.gz DBIWBZFJXPDZHZ-OAQYLSRUSA-N 0 3 411.546 3.407 50 0 HGAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000032779891 526492767 /nfs/dbraw/zinc/49/27/67/526492767.db2.gz BUKYQWMKLBWKAX-IBGZPJMESA-N 0 3 413.953 3.300 50 0 HGAAHN COc1ccccc1[C@@H]1[C@H](C(=O)NCCN(C)C)CCC(=O)N1c1ccc(C)cc1 ZINC000007987381 537105323 /nfs/dbraw/zinc/10/53/23/537105323.db2.gz NNDOECCHAVBTMV-NFBKMPQASA-N 0 3 409.530 3.166 50 0 HGAAHN O=C(Cc1ccccc1)N1C[C@@H](C(=O)NCCN2CCCC2)C[C@@H](c2ccccc2)C1 ZINC000034738222 557447761 /nfs/dbraw/zinc/44/77/61/557447761.db2.gz SEDHYZBJEMBNIK-RPWUZVMVSA-N 0 3 419.569 3.073 50 0 HGAAHN CC(C)CC(=O)N1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 ZINC000011714670 558271684 /nfs/dbraw/zinc/27/16/84/558271684.db2.gz KTENEKWQWIVCNC-UHFFFAOYSA-N 0 3 409.958 3.047 50 0 HGAAHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(C(C)=O)cc1 ZINC000019819032 558289091 /nfs/dbraw/zinc/28/90/91/558289091.db2.gz AUGJUXPWYDSVRN-LJQANCHMSA-N 0 3 406.438 3.328 50 0 HGAAHN COc1ccc(/C=C/CN2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)cc1 ZINC000011869762 558290105 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HGAAHN C[C@H](CN1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1)c1ccccc1 ZINC000012040872 558312849 /nfs/dbraw/zinc/31/28/49/558312849.db2.gz KKMJOBBWROTAPV-GOSISDBHSA-N 0 3 421.520 3.052 50 0 HGAAHN CCOc1ccccc1NC(=O)CC1C(=O)N(CCCOC)c2nc3ccccc3n21 ZINC000020103420 558332535 /nfs/dbraw/zinc/33/25/35/558332535.db2.gz KPQFVVFRFAKCBK-IBGZPJMESA-N 0 3 422.485 3.388 50 0 HGAAHN O=C1C[C@@H](c2ccc(Cl)cc2)[C@@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 ZINC000020218624 558348453 /nfs/dbraw/zinc/34/84/53/558348453.db2.gz NBBYHVVEXVSNGZ-VXSCBNMQSA-N 0 3 420.900 3.302 50 0 HGAAHN COc1ccccc1/C=C/CN1CCc2nnc([C@H](CC(C)C)NC(C)=O)n2CC1 ZINC000012211673 558354123 /nfs/dbraw/zinc/35/41/23/558354123.db2.gz DXHGZGUEQIUGBM-JCOOBLOPSA-N 0 3 411.550 3.082 50 0 HGAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000012385951 558394877 /nfs/dbraw/zinc/39/48/77/558394877.db2.gz LAIPLXGOWMRNBF-UHFFFAOYSA-N 0 3 424.541 3.493 50 0 HGAAHN CCN1CCN(c2ccc(NC(=O)CCCNC(=O)c3ccsc3)c(C)c2)CC1 ZINC000012790577 558465120 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HGAAHN CN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cc3ccccc3o1)CC2 ZINC000014740406 558666440 /nfs/dbraw/zinc/66/64/40/558666440.db2.gz GDQRMGKPHJQNRY-UHFFFAOYSA-N 0 3 404.470 3.257 50 0 HGAAHN Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC(C)C)CN(Cc3ccc(O)cc3)C2)cn1 ZINC000014744182 558668308 /nfs/dbraw/zinc/66/83/08/558668308.db2.gz LWBLHMUROIZPGP-LEWJYISDSA-N 0 3 411.546 3.385 50 0 HGAAHN CSc1ccc(CN2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3C)cc1 ZINC000014744934 558668637 /nfs/dbraw/zinc/66/86/37/558668637.db2.gz UWGHMPHWHVBTAQ-UHFFFAOYSA-N 0 3 410.543 3.232 50 0 HGAAHN CC(C)N1C(=O)N(CCc2ccccc2)C2(CCN([C@@H]3CCSC3)CC2)C1=O ZINC000014755151 558671747 /nfs/dbraw/zinc/67/17/47/558671747.db2.gz MUJXCAWXFHNKNI-LJQANCHMSA-N 0 3 401.576 3.242 50 0 HGAAHN CN(CCc1ccccn1)Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000014881580 558676087 /nfs/dbraw/zinc/67/60/87/558676087.db2.gz SBUXMWIIYDWXBD-QHCPKHFHSA-N 0 3 416.525 3.252 50 0 HGAAHN CN(Cc1ccc2nonc2c1)Cc1ccccc1OC[C@@H](O)CN1CCCCC1 ZINC000014958575 558683176 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O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000016606576 558796585 /nfs/dbraw/zinc/79/65/85/558796585.db2.gz JIKUIGLOLMTYJV-OAQYLSRUSA-N 0 3 421.541 3.446 50 0 HGAAHN C[C@H]1CN(CCC(=O)NC[C@@H](c2cccnc2)N2CCCCC2)Cc2ccccc2O1 ZINC000039354753 558820207 /nfs/dbraw/zinc/82/02/07/558820207.db2.gz FGSJMNRARDTAIL-REWPJTCUSA-N 0 3 422.573 3.398 50 0 HGAAHN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCCN3CCCCC3)C2)s1 ZINC000033078445 558867934 /nfs/dbraw/zinc/86/79/34/558867934.db2.gz PUWOSWFBMUBDGU-MRXNPFEDSA-N 0 3 401.580 3.072 50 0 HGAAHN CCOC(=O)N1CCC(N(CCN(C)C)C(=S)Nc2ccc(C)c(F)c2)CC1 ZINC000004688359 558898829 /nfs/dbraw/zinc/89/88/29/558898829.db2.gz JLCAYFFSIPNURM-UHFFFAOYSA-N 0 3 410.559 3.315 50 0 HGAAHN COc1cc(OC)c(-c2c(-c3ccccc3)ncn2C[C@H]2CNCCO2)cc1OC ZINC000065455657 558977624 /nfs/dbraw/zinc/97/76/24/558977624.db2.gz VCGUTDBEDWJRBG-QGZVFWFLSA-N 0 3 409.486 3.231 50 0 HGAAHN C[C@@H]1CNC(=O)CCN1Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000072469440 558983380 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COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccnc4)[C@H]3C2=O)cc1 ZINC000100722331 559138481 /nfs/dbraw/zinc/13/84/81/559138481.db2.gz CAKLGVMOEACNNO-QHAWAJNXSA-N 0 3 401.422 3.141 50 0 HGAAHN CNC(=O)[C@@H]1C[C@H](NCc2ccc(OC)c(C)c2C)CN1Cc1cccc(Cl)c1 ZINC000023359208 559173245 /nfs/dbraw/zinc/17/32/45/559173245.db2.gz GJAIRZCTPPALLH-SFTDATJTSA-N 0 3 415.965 3.444 50 0 HGAAHN COC(=O)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000005215664 560543294 /nfs/dbraw/zinc/54/32/94/560543294.db2.gz XBOFVEGFULKZJD-FQEVSTJZSA-N 0 3 420.465 3.077 50 0 HGAAHN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccccc2OC)N(CCCN(C)C)C1=O ZINC000005347729 560570775 /nfs/dbraw/zinc/57/07/75/560570775.db2.gz BEZTYGHJXAEXDE-OAQYLSRUSA-N 0 3 422.481 3.307 50 0 HGAAHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@@H]2C1=O ZINC000102709900 560820904 /nfs/dbraw/zinc/82/09/04/560820904.db2.gz CAUKAGFZMJWBNQ-BHDDXSALSA-N 0 3 416.433 3.452 50 0 HGAAHN CSCC[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2)[C@]2(N1)c1ccccc1N(C)C2=O ZINC000106807995 560893895 /nfs/dbraw/zinc/89/38/95/560893895.db2.gz APWAKIVXOCBAOL-RADWXHQJSA-N 0 3 413.518 3.367 50 0 HGAAHN O=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N1CCN(c2ccncc2)CC1 ZINC000047773831 568431172 /nfs/dbraw/zinc/43/11/72/568431172.db2.gz NXGUYVONUBIETR-UHFFFAOYSA-N 0 3 400.788 3.034 50 0 HGAAHN C[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C[NH+]1CCCC1 ZINC000047916776 568431487 /nfs/dbraw/zinc/43/14/87/568431487.db2.gz NZFRKUIPLIKEAM-MRXNPFEDSA-N 0 3 419.522 3.088 50 0 HGAAHN C[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C[NH+]1CCCC1 ZINC000047916775 568431508 /nfs/dbraw/zinc/43/15/08/568431508.db2.gz NZFRKUIPLIKEAM-INIZCTEOSA-N 0 3 419.522 3.088 50 0 HGAAHN Cc1nc2ccccc2nc1CS(=O)(=O)C(C)C(=O)N(C)Cc1cccc(F)c1 ZINC000048278331 568435707 /nfs/dbraw/zinc/43/57/07/568435707.db2.gz OSZYTAOFFKSCJZ-HNNXBMFYSA-N 0 3 415.490 3.039 50 0 HGAAHN CC(=O)NCCc1ccc(C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)cc1 ZINC000048303886 568436208 /nfs/dbraw/zinc/43/62/08/568436208.db2.gz 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ZINC000225531550 568647964 /nfs/dbraw/zinc/64/79/64/568647964.db2.gz JBUGYMSNTHCTJB-UHFFFAOYSA-N 0 3 411.512 3.428 50 0 HGAAHN COC(=O)C1CCN(CCCNC(=O)Nc2ncc(-c3ccccc3)s2)CC1 ZINC000095955712 568669299 /nfs/dbraw/zinc/66/92/99/568669299.db2.gz QSZNAJKEFNVDTR-UHFFFAOYSA-N 0 3 402.520 3.207 50 0 HGAAHN C[C@@H]1CN(Cc2ccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000229550541 568714729 /nfs/dbraw/zinc/71/47/29/568714729.db2.gz YFRVCXMULMTCAR-ROKPMTFOSA-N 0 3 407.558 3.300 50 0 HGAAHN CCCS(=O)(=O)C(C)C(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000055731322 568782507 /nfs/dbraw/zinc/78/25/07/568782507.db2.gz FZKQFBUHBQYFJZ-NSHDSACASA-N 0 3 413.337 3.028 50 0 HGAAHN CC1CCN([C@@H](CNC(=O)[C@H]2CCCN(c3cnccn3)C2)c2cccs2)CC1 ZINC000029754324 568828956 /nfs/dbraw/zinc/82/89/56/568828956.db2.gz FZIWYLRRDCLRKB-OALUTQOASA-N 0 3 413.591 3.344 50 0 HGAAHN C[C@@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)N1CCc2sccc2C1 ZINC000031663795 568837633 /nfs/dbraw/zinc/83/76/33/568837633.db2.gz PVEPWNGYLNRJRX-SFHVURJKSA-N 0 3 412.603 3.459 50 0 HGAAHN O=C(CCOc1ccccc1)NC[C@H]1CCC2(CCN(Cc3ccncc3)CC2)O1 ZINC000299757751 568872927 /nfs/dbraw/zinc/87/29/27/568872927.db2.gz JIAPMZBVDNYXBT-JOCHJYFZSA-N 0 3 409.530 3.181 50 0 HGAAHN O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(Cc2cccs2)CC1 ZINC000299778092 568874772 /nfs/dbraw/zinc/87/47/72/568874772.db2.gz ODDDNDHSDCLQSV-IBGZPJMESA-N 0 3 404.507 3.158 50 0 HGAAHN Cn1c2ccccc2c2c1c(=O)n(C)cc2C(=O)N1CCN(C2CCCCC2)CC1 ZINC000058019291 568877005 /nfs/dbraw/zinc/87/70/05/568877005.db2.gz DCHYAROXDMAXBL-UHFFFAOYSA-N 0 3 406.530 3.121 50 0 HGAAHN Cc1cccc(C)c1NC(=O)C1(N(C)C(=O)CSC2=NCCN2)CCCCC1 ZINC000001409778 568929085 /nfs/dbraw/zinc/92/90/85/568929085.db2.gz IAQARGFJYZHKMX-UHFFFAOYSA-N 0 3 402.564 3.096 50 0 HGAAHN COCC1CCN(Cc2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)CC1 ZINC000012750287 568940225 /nfs/dbraw/zinc/94/02/25/568940225.db2.gz HKUDDLQYVXJWRU-RUZDIDTESA-N 0 3 424.585 3.343 50 0 HGAAHN CCN(CC)[C@H](CNC(=O)CCNC(=O)c1ccsc1)c1cccc(OC)c1 ZINC000012751287 568940694 /nfs/dbraw/zinc/94/06/94/568940694.db2.gz KWMUWGXWPMYYHO-LJQANCHMSA-N 0 3 403.548 3.076 50 0 HGAAHN O=C(Cn1cnc2ccsc2c1=O)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000670457683 568942431 /nfs/dbraw/zinc/94/24/31/568942431.db2.gz CNQSVNWZFOOVIL-LJQANCHMSA-N 0 3 410.543 3.192 50 0 HGAAHN COc1ccc(OC)c([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000004301750 568960125 /nfs/dbraw/zinc/96/01/25/568960125.db2.gz MSEGSKYCXNBBCW-OAQYLSRUSA-N 0 3 422.481 3.307 50 0 HGAAHN CN(C)CCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675597 568964426 /nfs/dbraw/zinc/96/44/26/568964426.db2.gz HQQSCTXYBMNWLE-QHCPKHFHSA-N 0 3 414.550 3.240 50 0 HGAAHN CN(CCCNC(=O)c1cccc(-n2nnc3cccnc32)c1)Cc1ccccc1 ZINC000035482567 569039581 /nfs/dbraw/zinc/03/95/81/569039581.db2.gz NJXQWXGITDRVTR-UHFFFAOYSA-N 0 3 400.486 3.067 50 0 HGAAHN O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000240551668 569054655 /nfs/dbraw/zinc/05/46/55/569054655.db2.gz GVHGNIFAAQTNGQ-MOPGFXCFSA-N 0 3 414.500 3.365 50 0 HGAAHN COc1ccc(-c2nnc(SCCNCCO)n2C2CCCCC2)cc1OC ZINC000006578692 569066997 /nfs/dbraw/zinc/06/69/97/569066997.db2.gz RYCZPRMXFGUDDL-UHFFFAOYSA-N 0 3 406.552 3.142 50 0 HGAAHN COc1ccccc1CNC(=O)CNCCSc1ccc(Br)cc1 ZINC000006602843 569070278 /nfs/dbraw/zinc/07/02/78/569070278.db2.gz RTYOYUNNJQAWNF-UHFFFAOYSA-N 0 3 409.349 3.456 50 0 HGAAHN COCCCN(Cc1ccc(OC)c(OC)c1)C[C@@H](O)COCc1ccccc1 ZINC000036095905 569090074 /nfs/dbraw/zinc/09/00/74/569090074.db2.gz OWVJMWKIZUKRPG-OAQYLSRUSA-N 0 3 403.519 3.120 50 0 HGAAHN Cc1c(C(=O)NCCCN(C)Cc2ccccc2)sc2nc3n(c(=O)c12)CCCC3 ZINC000006840947 569151415 /nfs/dbraw/zinc/15/14/15/569151415.db2.gz AXQJRMRQBZKVNI-UHFFFAOYSA-N 0 3 424.570 3.355 50 0 HGAAHN Cc1c(C(=O)NCCN2CCCCCC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840736 569151525 /nfs/dbraw/zinc/15/15/25/569151525.db2.gz SSSBMVLYUADURU-UHFFFAOYSA-N 0 3 402.564 3.099 50 0 HGAAHN CCCCN(CC)C(=O)c1cc(NC(=O)c2ccccc2C)cnc1N1CCNCC1 ZINC000065025362 569156334 /nfs/dbraw/zinc/15/63/34/569156334.db2.gz OUMJZKWXJKFKBT-UHFFFAOYSA-N 0 3 423.561 3.314 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1csc(NC[C@@H]2CCCO2)n1 ZINC000071286033 569252292 /nfs/dbraw/zinc/25/22/92/569252292.db2.gz KADUGNOZAIBAQT-SFHVURJKSA-N 0 3 400.548 3.128 50 0 HGAAHN COc1cccc(N2CCN(C3CCN(C[C@@H]4COc5ccccc5O4)CC3)CC2)c1 ZINC000252492658 569290616 /nfs/dbraw/zinc/29/06/16/569290616.db2.gz MRSRAUYUHDOUKR-HSZRJFAPSA-N 0 3 423.557 3.122 50 0 HGAAHN O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1ccccc1CN1CCCCC1 ZINC000007850151 569314656 /nfs/dbraw/zinc/31/46/56/569314656.db2.gz AYVXLMUIMNCBIP-UHFFFAOYSA-N 0 3 419.525 3.365 50 0 HGAAHN CC(C)N1CCN([C@@H]2CCOC3(CCN(C(=O)c4cccc5[nH]ccc54)CC3)C2)CC1 ZINC000581820100 569320888 /nfs/dbraw/zinc/32/08/88/569320888.db2.gz QWZNYXPYKQPKJP-HXUWFJFHSA-N 0 3 424.589 3.348 50 0 HGAAHN CC(=O)Nc1cc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)ccc1C ZINC000079022395 569424480 /nfs/dbraw/zinc/42/44/80/569424480.db2.gz NHCJYOOQAJHWBR-QZTJIDSGSA-N 0 3 401.551 3.305 50 0 HGAAHN COCCN(CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000079024583 569424774 /nfs/dbraw/zinc/42/47/74/569424774.db2.gz VBXPKKYANUBTPK-AZUAARDMSA-N 0 3 419.566 3.039 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000079495093 569432699 /nfs/dbraw/zinc/43/26/99/569432699.db2.gz RURJAEFHQNPQHP-GOSISDBHSA-N 0 3 413.953 3.127 50 0 HGAAHN CN(C)Cc1ccc(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 ZINC000040018248 571139157 /nfs/dbraw/zinc/13/91/57/571139157.db2.gz HHJUBTVCEOFMCY-UHFFFAOYSA-N 0 3 412.511 3.245 50 0 HGAAHN CCN1CCN(Cc2ccccc2CNC(=O)CSc2ccc(F)cc2)CC1 ZINC000040089838 571159803 /nfs/dbraw/zinc/15/98/03/571159803.db2.gz SWAAAFSPDDASHD-UHFFFAOYSA-N 0 3 401.551 3.372 50 0 HGAAHN O=C(NCc1ccccc1)C(=O)NC[C@H](c1cccc2ccccc21)N1CCCC1 ZINC000010333868 571300655 /nfs/dbraw/zinc/30/06/55/571300655.db2.gz VXHVEPSMQYJVGE-HSZRJFAPSA-N 0 3 401.510 3.409 50 0 HGAAHN COc1ccccc1CN1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000001179447 132240805 /nfs/dbraw/zinc/24/08/05/132240805.db2.gz LNQAVRUXPPRBSC-UHFFFAOYSA-N 0 3 411.521 3.395 50 0 HGAAHN CCN(CC)[C@H](CNC(=O)[C@H](C)NC(=O)/C=C/c1ccccc1)c1cccc(OC)c1 ZINC000032753486 520864501 /nfs/dbraw/zinc/86/45/01/520864501.db2.gz JBXPZGMKSLMVHU-YJFHSFOWSA-N 0 3 423.557 3.412 50 0 HGAAHN CCN(CC)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccsc1 ZINC000031984578 520866023 /nfs/dbraw/zinc/86/60/23/520866023.db2.gz VBHHOOQOVGGJLV-FUHWJXTLSA-N 0 3 403.548 3.393 50 0 HGAAHN Cc1ccccc1CN1CCN(Cc2cn(C)nc2-c2ccccc2)C[C@@H]1CCO ZINC000020598300 525144874 /nfs/dbraw/zinc/14/48/74/525144874.db2.gz TUGMIXCVICOGBQ-DEOSSOPVSA-N 0 3 404.558 3.464 50 0 HGAAHN Cc1c(NC(=O)CCN2CCC[C@H](C(F)(F)F)C2)c(=O)n(-c2ccccc2)n1C ZINC000032870766 525834650 /nfs/dbraw/zinc/83/46/50/525834650.db2.gz ZHSFTMGSWJQYTF-HNNXBMFYSA-N 0 3 410.440 3.087 50 0 HGAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032873759 527045958 /nfs/dbraw/zinc/04/59/58/527045958.db2.gz SQLQDFGOPBPPBE-IRLDBZIGSA-N 0 3 409.505 3.069 50 0 HGAAHN CCOC(=O)C1CCN(C(=O)C2CCN(Cc3ccc(OCC)cc3)CC2)CC1 ZINC000000795513 557083007 /nfs/dbraw/zinc/08/30/07/557083007.db2.gz YNAKVKDBDUPBCS-UHFFFAOYSA-N 0 3 402.535 3.099 50 0 HGAAHN O=C(Cc1ccccc1)N1C[C@@H](c2ccccc2)C[C@H](C(=O)NCCN2CCCC2)C1 ZINC000034738224 557447703 /nfs/dbraw/zinc/44/77/03/557447703.db2.gz SEDHYZBJEMBNIK-ZEQRLZLVSA-N 0 3 419.569 3.073 50 0 HGAAHN Cc1cc(C)cc(N2C[C@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)c1 ZINC000034917972 557483101 /nfs/dbraw/zinc/48/31/01/557483101.db2.gz IGFNBPIFEAIGFZ-OAQYLSRUSA-N 0 3 405.542 3.437 50 0 HGAAHN COc1ccc(Br)cc1CNCCSc1nnnn1-c1ccccc1 ZINC000009249986 557832719 /nfs/dbraw/zinc/83/27/19/557832719.db2.gz DVSBSJRUGADLHB-UHFFFAOYSA-N 0 3 420.336 3.315 50 0 HGAAHN O=C(Nc1ccc(-n2cccn2)cc1)C1CCN(Cc2ccc3nonc3c2)CC1 ZINC000019740432 558261319 /nfs/dbraw/zinc/26/13/19/558261319.db2.gz RUYSEQUDIHAHDX-UHFFFAOYSA-N 0 3 402.458 3.259 50 0 HGAAHN COCCNC(=O)c1ccc(OC2CCN([C@H](C)CSC)CC2)c(Cl)c1 ZINC000011700646 558270493 /nfs/dbraw/zinc/27/04/93/558270493.db2.gz LVDUXXAULPIEOP-CQSZACIVSA-N 0 3 400.972 3.311 50 0 HGAAHN Cc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(C)cc2C)CC3)cc1 ZINC000011908870 558296063 /nfs/dbraw/zinc/29/60/63/558296063.db2.gz XHFZOOPQLGSEJL-UHFFFAOYSA-N 0 3 417.557 3.234 50 0 HGAAHN COC(=O)c1ccc(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cc1 ZINC000019865632 558298912 /nfs/dbraw/zinc/29/89/12/558298912.db2.gz CAEDPSCGYQYFGJ-NRFANRHFSA-N 0 3 411.521 3.399 50 0 HGAAHN COc1cc(CN2CCC(N3CCN(C)CC3)CC2)ccc1OCc1ccccc1 ZINC000019889861 558302741 /nfs/dbraw/zinc/30/27/41/558302741.db2.gz RCBGFIYSSQBLJL-UHFFFAOYSA-N 0 3 409.574 3.486 50 0 HGAAHN C[C@@H](CCN1CCc2nnc(CNC(=O)c3ccccc3)n2CC1)c1ccccc1 ZINC000011999316 558307927 /nfs/dbraw/zinc/30/79/27/558307927.db2.gz SZJGTLXWRPVEON-IBGZPJMESA-N 0 3 403.530 3.260 50 0 HGAAHN COc1cccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CCC2=O)c1 ZINC000012037570 558312166 /nfs/dbraw/zinc/31/21/66/558312166.db2.gz AYIIOCQJIWGINX-UHFFFAOYSA-N 0 3 407.558 3.394 50 0 HGAAHN COc1cc(CNCc2ccccc2C)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000012076215 558319967 /nfs/dbraw/zinc/31/99/67/558319967.db2.gz NVSDCLGIZUGBBW-NRFANRHFSA-N 0 3 416.587 3.082 50 0 HGAAHN O=C1C[C@H](c2ccc(Cl)cc2)[C@@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 ZINC000020218625 558348377 /nfs/dbraw/zinc/34/83/77/558348377.db2.gz NBBYHVVEXVSNGZ-FVTFTPSCSA-N 0 3 420.900 3.302 50 0 HGAAHN O=C(NCCCN1CCC[C@@H](O)C1)c1ccc2oc(CCc3ccccc3)nc2c1 ZINC000012206002 558352822 /nfs/dbraw/zinc/35/28/22/558352822.db2.gz FULQXJOPRRRVSN-HXUWFJFHSA-N 0 3 407.514 3.190 50 0 HGAAHN COc1cc(CNCc2cccc(C)c2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000012299046 558369137 /nfs/dbraw/zinc/36/91/37/558369137.db2.gz PRQDEHBYXGWYML-NRFANRHFSA-N 0 3 416.587 3.082 50 0 HGAAHN CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CNCCOc1cccnc1 ZINC000012301773 558371446 /nfs/dbraw/zinc/37/14/46/558371446.db2.gz NJXFCUNBJADMNA-UHFFFAOYSA-N 0 3 415.497 3.170 50 0 HGAAHN Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN2C2CSCCSC2)cc1 ZINC000012301978 558371548 /nfs/dbraw/zinc/37/15/48/558371548.db2.gz NNPZXYCXRCYNIX-IBGZPJMESA-N 0 3 402.589 3.432 50 0 HGAAHN O=C(c1nc2ccc(Cl)cn2c1CNCCc1c[nH]cn1)N1CCCCCCC1 ZINC000012303187 558372926 /nfs/dbraw/zinc/37/29/26/558372926.db2.gz GOMWMXOZKJSWCK-UHFFFAOYSA-N 0 3 414.941 3.449 50 0 HGAAHN COC(=O)c1ccc(CN2CCC[C@@H](CNC(=O)Cc3ccc(OC)cc3)C2)cc1 ZINC000012464011 558419841 /nfs/dbraw/zinc/41/98/41/558419841.db2.gz VKIPHTCAMKBSOV-FQEVSTJZSA-N 0 3 410.514 3.053 50 0 HGAAHN COc1cc(C(=O)NC[C@@H]2OCCc3ccccc32)ccc1OC1CCN(C)CC1 ZINC000012577134 558431362 /nfs/dbraw/zinc/43/13/62/558431362.db2.gz SPAWTNHORWOACO-QHCPKHFHSA-N 0 3 410.514 3.212 50 0 HGAAHN COc1ccc([C@H](CNC(=O)CCc2nc(-c3ccsc3)no2)N(C)C)cc1 ZINC000021635678 558443994 /nfs/dbraw/zinc/44/39/94/558443994.db2.gz LBOCPYXRPQHJNK-KRWDZBQOSA-N 0 3 400.504 3.158 50 0 HGAAHN CN(C)Cc1ccccc1CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000012775120 558462824 /nfs/dbraw/zinc/46/28/24/558462824.db2.gz FCFNBABWPMZNQS-UHFFFAOYSA-N 0 3 424.570 3.174 50 0 HGAAHN COc1ccc(C(=O)C2CCN(CCC(=O)NC(=O)NCc3ccccc3)CC2)cc1 ZINC000012793821 558467340 /nfs/dbraw/zinc/46/73/40/558467340.db2.gz RMKDDRRUANODJS-UHFFFAOYSA-N 0 3 423.513 3.006 50 0 HGAAHN Cc1ccc(-n2cccn2)c(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)c1 ZINC000022852359 558516849 /nfs/dbraw/zinc/51/68/49/558516849.db2.gz AOXVSVKJVOCOGS-XMMPIXPASA-N 0 3 404.558 3.292 50 0 HGAAHN CN(CCN1CCc2ccccc2C1)Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000022851279 558516909 /nfs/dbraw/zinc/51/69/09/558516909.db2.gz BHQHSDHYWBAPCU-UHFFFAOYSA-N 0 3 418.541 3.348 50 0 HGAAHN CCN1CCN(C[C@H](O)COc2cccc(CNCc3ccccc3Cl)c2)CC1 ZINC000022852880 558517287 /nfs/dbraw/zinc/51/72/87/558517287.db2.gz AJZPKUVQOHCHRC-NRFANRHFSA-N 0 3 417.981 3.007 50 0 HGAAHN O=C(Cc1csc(NC(=O)c2ccco2)n1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000023739127 558572568 /nfs/dbraw/zinc/57/25/68/558572568.db2.gz YUBRGSPLIQSBGR-SFHVURJKSA-N 0 3 424.526 3.484 50 0 HGAAHN COc1ccc(CN2CCC3(CC2)C(=O)N(CCc2ccccc2)C(=O)N3C)cc1 ZINC000014749971 558670652 /nfs/dbraw/zinc/67/06/52/558670652.db2.gz IJOWLLOORBTBMN-UHFFFAOYSA-N 0 3 407.514 3.167 50 0 HGAAHN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](NCc1ccc(F)c(F)c1)CC2 ZINC000014753549 558671472 /nfs/dbraw/zinc/67/14/72/558671472.db2.gz SJDNVWWHTXBIHC-OAHLLOKOSA-N 0 3 414.456 3.211 50 0 HGAAHN Cc1cc(O[C@H](C)C(=O)NCC2(N3CCN(C)CC3)CCCCC2)ccc1Cl ZINC000027744304 558681110 /nfs/dbraw/zinc/68/11/10/558681110.db2.gz OQNPEZFMHQZZMC-GOSISDBHSA-N 0 3 407.986 3.482 50 0 HGAAHN CN(C)CCNC(=O)[C@@H]1C[C@H](Sc2ccc(F)cc2)CN1Cc1cccc(F)c1 ZINC000014957423 558682917 /nfs/dbraw/zinc/68/29/17/558682917.db2.gz CSBIKIDPRYRZDZ-SFTDATJTSA-N 0 3 419.541 3.378 50 0 HGAAHN COc1ccc(-c2nn(-c3ccccc3F)cc2CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000014974969 558688853 /nfs/dbraw/zinc/68/88/53/558688853.db2.gz CHBJQIGQSWUVRP-KRWDZBQOSA-N 0 3 408.477 3.384 50 0 HGAAHN CC(C)C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccccc1-c1ccco1)CC2 ZINC000015001198 558697877 /nfs/dbraw/zinc/69/78/77/558697877.db2.gz UMUCXALRBKTDNB-QGZVFWFLSA-N 0 3 407.518 3.430 50 0 HGAAHN NC(=O)C1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000015079295 558718054 /nfs/dbraw/zinc/71/80/54/558718054.db2.gz VDNJVVYCSAUQGS-UHFFFAOYSA-N 0 3 418.497 3.024 50 0 HGAAHN COc1cc(C[C@H]2CC(CNCCc3ccc(C)cc3)=NO2)c(OC)c2c1OCO2 ZINC000015081399 558718921 /nfs/dbraw/zinc/71/89/21/558718921.db2.gz NXZXHNZWSKMPET-IBGZPJMESA-N 0 3 412.486 3.261 50 0 HGAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(F)c(F)c2)n2c3ccccc3nc21 ZINC000030937512 558744944 /nfs/dbraw/zinc/74/49/44/558744944.db2.gz YVPLSDMLBHPCAC-GOSISDBHSA-N 0 3 414.412 3.268 50 0 HGAAHN COc1ccc(-c2noc3c(O)n(-c4ccc5ccccc5c4)c(O)c23)c(OC)c1 ZINC000016006759 558766268 /nfs/dbraw/zinc/76/62/68/558766268.db2.gz OCDKRZKEVHNGKR-FPOVZHCZSA-N 0 3 402.406 3.150 50 0 HGAAHN CCOc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(OC)cc34)C2=O)cc1 ZINC000018240786 558834261 /nfs/dbraw/zinc/83/42/61/558834261.db2.gz AKURUVQMKBSIBU-NRFANRHFSA-N 0 3 407.470 3.039 50 0 HGAAHN O=C(CN1CCC[C@@H]1CN1CCC[C@@H]1CO)Nc1ccc(Cl)cc1C(F)(F)F ZINC000072313482 558840328 /nfs/dbraw/zinc/84/03/28/558840328.db2.gz XTVBQGINVZTBSJ-HUUCEWRRSA-N 0 3 419.875 3.218 50 0 HGAAHN CN(C[C@H]1CCCN1C)C(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 ZINC000067975609 558862489 /nfs/dbraw/zinc/86/24/89/558862489.db2.gz IKWYCGCLKLZZPR-OAQYLSRUSA-N 0 3 410.562 3.296 50 0 HGAAHN Cc1ccc(C(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)cc1N1CCNC1=O ZINC000067973849 558862531 /nfs/dbraw/zinc/86/25/31/558862531.db2.gz SUYVXNGDZUXXKL-QFIPXVFZSA-N 0 3 420.557 3.352 50 0 HGAAHN CC(=O)N1CCC(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000058159586 558904707 /nfs/dbraw/zinc/90/47/07/558904707.db2.gz TXHZKJJGVKMMOX-UHFFFAOYSA-N 0 3 420.557 3.206 50 0 HGAAHN CCOC(=O)c1sc(NC(=O)N2CC[C@H](N3CCCC3)C2)c(C(=O)OCC)c1C ZINC000058306290 558918342 /nfs/dbraw/zinc/91/83/42/558918342.db2.gz SMLISAYXGPEEEB-AWEZNQCLSA-N 0 3 423.535 3.112 50 0 HGAAHN CCN(CC)CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021810666 558953403 /nfs/dbraw/zinc/95/34/03/558953403.db2.gz OXAQVKRAEUEHBZ-HSZRJFAPSA-N 0 3 414.550 3.240 50 0 HGAAHN Cn1cc(-c2cc(C(=O)N3CCC[C@H]3CN3CCCC3)c3cc(F)ccc3n2)cn1 ZINC000063856461 558959649 /nfs/dbraw/zinc/95/96/49/558959649.db2.gz VLVGPCQZHSZCAK-SFHVURJKSA-N 0 3 407.493 3.475 50 0 HGAAHN COc1ccc([C@@H]2CC(=O)Nc3c2cnn3C2CCN(C)CC2)c(Cl)c1OC ZINC000065380831 558976842 /nfs/dbraw/zinc/97/68/42/558976842.db2.gz SUJSUMQCKHRNLV-AWEZNQCLSA-N 0 3 404.898 3.295 50 0 HGAAHN CN(C)CCOc1cccc2c1c(NC(=O)c1cccnn1)nn2-c1cccc(F)c1 ZINC000072478895 558983894 /nfs/dbraw/zinc/98/38/94/558983894.db2.gz VEXUHJBUAIHSOU-UHFFFAOYSA-N 0 3 420.448 3.147 50 0 HGAAHN O=C(c1cc(C2CC2)[nH]n1)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000067458213 558986749 /nfs/dbraw/zinc/98/67/49/558986749.db2.gz HJRJULDBFHHGFG-IBGZPJMESA-N 0 3 413.953 3.367 50 0 HGAAHN Cn1ccc2ccc(CN3CCC4(CC3)c3nc[nH]c3CCN4C(=O)C3CC3)cc21 ZINC000095522890 559085591 /nfs/dbraw/zinc/08/55/91/559085591.db2.gz PSAKGUWSCFLQOZ-UHFFFAOYSA-N 0 3 403.530 3.187 50 0 HGAAHN Cn1ccc2ccc(CN3CCC4(CC3)c3[nH]cnc3CCN4C(=O)C3CC3)cc21 ZINC000095522890 559085592 /nfs/dbraw/zinc/08/55/92/559085592.db2.gz PSAKGUWSCFLQOZ-UHFFFAOYSA-N 0 3 403.530 3.187 50 0 HGAAHN O=C(c1cccc2nccnc21)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095529678 559086748 /nfs/dbraw/zinc/08/67/48/559086748.db2.gz RRLVXAKNUFUJJB-WWPVKYPJSA-N 0 3 402.473 3.471 50 0 HGAAHN CN(C)[C@H](CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Cc1ccccc1 ZINC000011603675 559113186 /nfs/dbraw/zinc/11/31/86/559113186.db2.gz VRYDKPWOVSCXOR-LPHOPBHVSA-N 0 3 417.962 3.432 50 0 HGAAHN Cc1cccc(N2CCN(CCC(=O)NCc3ccc(Cn4ccnc4)cc3)CC2)c1 ZINC000072301609 559122283 /nfs/dbraw/zinc/12/22/83/559122283.db2.gz VABBMQCKPSOYDH-UHFFFAOYSA-N 0 3 417.557 3.068 50 0 HGAAHN CCn1c(=O)cc(OCC(=O)NCCCN(C)Cc2ccccc2)c2ccccc21 ZINC000005067229 559240056 /nfs/dbraw/zinc/24/00/56/559240056.db2.gz JXUQWLYTAHXORD-UHFFFAOYSA-N 0 3 407.514 3.039 50 0 HGAAHN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccccc2OC)N(CCCN(C)C)C1=O ZINC000005347731 560570772 /nfs/dbraw/zinc/57/07/72/560570772.db2.gz BEZTYGHJXAEXDE-NRFANRHFSA-N 0 3 422.481 3.307 50 0 HGAAHN C[C@H]1CCCCN1CCNC(=O)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000106309366 560889745 /nfs/dbraw/zinc/88/97/45/560889745.db2.gz RVSLLEQIYSTXSK-FPOVZHCZSA-N 0 3 407.562 3.351 50 0 HGAAHN Cc1ccc(CN2CCC([C@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)o1 ZINC000014885751 560896913 /nfs/dbraw/zinc/89/69/13/560896913.db2.gz VOOIJLOPPMUIIL-DEOSSOPVSA-N 0 3 407.514 3.278 50 0 HGAAHN Cc1occc1C(=O)Nc1nc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000048333153 568439511 /nfs/dbraw/zinc/43/95/11/568439511.db2.gz SNGSBGXRTPPMAU-KRWDZBQOSA-N 0 3 424.526 3.230 50 0 HGAAHN CN(Cc1ccccc1)C[C@H](O)CN1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000095408258 568606346 /nfs/dbraw/zinc/60/63/46/568606346.db2.gz QMAJSKZMIOQYGY-QHCPKHFHSA-N 0 3 417.553 3.091 50 0 HGAAHN C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000225494134 568643053 /nfs/dbraw/zinc/64/30/53/568643053.db2.gz WSQBRNLMPJFREI-TYPHKJRUSA-N 0 3 412.534 3.243 50 0 HGAAHN C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000225494201 568643103 /nfs/dbraw/zinc/64/31/03/568643103.db2.gz WSQBRNLMPJFREI-CEWLAPEOSA-N 0 3 412.534 3.243 50 0 HGAAHN Cc1cc(C)n(Cc2c(C)onc2C(=O)NC[C@@H]2CCN(Cc3ccc(C)cc3)C2)n1 ZINC000020994055 568656265 /nfs/dbraw/zinc/65/62/65/568656265.db2.gz CLGDMKSBVPGQIG-NRFANRHFSA-N 0 3 421.545 3.405 50 0 HGAAHN CN(CC(=O)Nc1ccccc1Cl)C(=O)CN[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000095941232 568662157 /nfs/dbraw/zinc/66/21/57/568662157.db2.gz SSZRIIYEEQRPCW-JSGCOSHPSA-N 0 3 405.848 3.448 50 0 HGAAHN C[C@H](NCc1ccccc1-n1ccnc1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013572 568685496 /nfs/dbraw/zinc/68/54/96/568685496.db2.gz CZBNFNZDZMBRRF-WMZHIEFXSA-N 0 3 420.513 3.388 50 0 HGAAHN CCCSc1ccccc1N1CCN(CCCCCN2C(=O)CNC2=O)CC1 ZINC000096027650 568686715 /nfs/dbraw/zinc/68/67/15/568686715.db2.gz LGZQOSHVSKJOPY-UHFFFAOYSA-N 0 3 404.580 3.033 50 0 HGAAHN O=C(COCc1cc(-c2cccs2)on1)NCCCN1CCc2ccccc2C1 ZINC000021528178 568709955 /nfs/dbraw/zinc/70/99/55/568709955.db2.gz NHIRORVUMUIOJI-UHFFFAOYSA-N 0 3 411.527 3.484 50 0 HGAAHN CCOC(=O)C1=C(CNCCc2ccc(OCC)cc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000085993822 568745102 /nfs/dbraw/zinc/74/51/02/568745102.db2.gz IFYDJSOVZBAADG-JOCHJYFZSA-N 0 3 423.513 3.089 50 0 HGAAHN CCOC(=O)C1C(CNCCc2ccc(OCC)cc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000085993822 568745104 /nfs/dbraw/zinc/74/51/04/568745104.db2.gz IFYDJSOVZBAADG-JOCHJYFZSA-N 0 3 423.513 3.089 50 0 HGAAHN CC(C)[C@H](CNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C)N1CCc2ccccc2C1 ZINC000025536107 568774610 /nfs/dbraw/zinc/77/46/10/568774610.db2.gz DFSVNQGRLZNUQZ-UNMCSNQZSA-N 0 3 411.546 3.233 50 0 HGAAHN O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCc2ccccc2)CC1 ZINC000299766422 568873786 /nfs/dbraw/zinc/87/37/86/568873786.db2.gz DJNZRVHHTUBRSK-QHCPKHFHSA-N 0 3 412.505 3.139 50 0 HGAAHN CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CCN(Cc2ccsc2)CC3)CC1 ZINC000299768761 568873916 /nfs/dbraw/zinc/87/39/16/568873916.db2.gz QCEWDKWTUYEWSX-GOSISDBHSA-N 0 3 405.564 3.087 50 0 HGAAHN O=C(CCCn1nnc(-c2ccccc2)n1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000058017670 568876579 /nfs/dbraw/zinc/87/65/79/568876579.db2.gz KZMNGVAMVCDTNW-NRFANRHFSA-N 0 3 404.518 3.074 50 0 HGAAHN Cn1nnc(-c2ccc(C(=O)NC[C@@H](c3ccccc3)N3CCCCCC3)cc2)n1 ZINC000670440772 568890480 /nfs/dbraw/zinc/89/04/80/568890480.db2.gz CKWZGFQHIDUWDF-NRFANRHFSA-N 0 3 404.518 3.224 50 0 HGAAHN CC1(C)Cc2c(C(N)=O)c(NC(=O)c3ccc4c(c3)OCCO4)sc2C(C)(C)N1 ZINC000004275260 568962048 /nfs/dbraw/zinc/96/20/48/568962048.db2.gz SFFCHJXKFSFBDD-UHFFFAOYSA-N 0 3 415.515 3.030 50 0 HGAAHN COc1ccc2c(c1)C[C@H](C(=O)NCC1CCN(Cc3ccccc3F)CC1)CO2 ZINC000015786299 569007497 /nfs/dbraw/zinc/00/74/97/569007497.db2.gz WDJUKVIKPJKLCT-FQEVSTJZSA-N 0 3 412.505 3.414 50 0 HGAAHN COc1cccc(-c2noc(-c3ccc(N4CCN5CCC[C@H]5C4)nc3)n2)c1OC ZINC000244685559 569055081 /nfs/dbraw/zinc/05/50/81/569055081.db2.gz ISKDFIMWBKCDHK-INIZCTEOSA-N 0 3 407.474 3.100 50 0 HGAAHN Cc1noc(C)c1CN1CCc2c(C(=O)N(C)C3CCN(C)CC3)csc2C1 ZINC000426395953 569072657 /nfs/dbraw/zinc/07/26/57/569072657.db2.gz MNHKOJVMTCDAGL-UHFFFAOYSA-N 0 3 402.564 3.077 50 0 HGAAHN Cc1noc(C)c1CN1CCc2c(C(=O)NCCN3CCCCC3)csc2C1 ZINC000426712831 569074065 /nfs/dbraw/zinc/07/40/65/569074065.db2.gz VYTILUZCEFQZMY-UHFFFAOYSA-N 0 3 402.564 3.127 50 0 HGAAHN CCN1CCC[C@@H]1CNC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426730375 569074076 /nfs/dbraw/zinc/07/40/76/569074076.db2.gz HHZPPVCWUVPQOM-MRXNPFEDSA-N 0 3 402.564 3.125 50 0 HGAAHN COCCCN(Cc1ccc(OC)c(OC)c1)C[C@H](O)COCc1ccccc1 ZINC000036095904 569089987 /nfs/dbraw/zinc/08/99/87/569089987.db2.gz OWVJMWKIZUKRPG-NRFANRHFSA-N 0 3 403.519 3.120 50 0 HGAAHN CN(C)CCN(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)C1CC1 ZINC000006695919 569091665 /nfs/dbraw/zinc/09/16/65/569091665.db2.gz VBGGIODYZYRTGJ-UHFFFAOYSA-N 0 3 402.583 3.428 50 0 HGAAHN CN(CCCNC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21)Cc1ccccc1 ZINC000006782447 569120546 /nfs/dbraw/zinc/12/05/46/569120546.db2.gz DREMGAMSKVZXLY-UHFFFAOYSA-N 0 3 420.488 3.032 50 0 HGAAHN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019369854 569124469 /nfs/dbraw/zinc/12/44/69/569124469.db2.gz WRMKBSBJQCLVBI-CVGQSACLSA-N 0 3 424.585 3.089 50 0 biogenic HGAAHN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(C5CCCCC5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000019369862 569124511 /nfs/dbraw/zinc/12/45/11/569124511.db2.gz FXYPTAKKGKQTFF-AMBFMMJXSA-N 0 3 416.606 3.222 50 0 biogenic HGAAHN O=C(CC[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1)NCCN1CCCCCC1 ZINC000065245358 569205153 /nfs/dbraw/zinc/20/51/53/569205153.db2.gz HAUFRGWJEGNVQJ-LJQANCHMSA-N 0 3 414.598 3.040 50 0 HGAAHN O=C(Cn1cc(-c2ccc(F)cc2)oc1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000065255609 569207831 /nfs/dbraw/zinc/20/78/31/569207831.db2.gz PCEZICNRHAMLGD-UHFFFAOYSA-N 0 3 409.461 3.028 50 0 HGAAHN COc1ccc(CNC(=O)c2cccnc2N2CCN[C@@H](c3ccccc3)C2)cc1 ZINC000065255813 569208013 /nfs/dbraw/zinc/20/80/13/569208013.db2.gz SXLNJMYMTYQDTC-JOCHJYFZSA-N 0 3 402.498 3.171 50 0 HGAAHN CCc1ccc([C@H](CNC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)N(C)C)cc1 ZINC000036748066 569226040 /nfs/dbraw/zinc/22/60/40/569226040.db2.gz UJXZBKJSNGALAL-UXHICEINSA-N 0 3 416.953 3.421 50 0 HGAAHN Cc1cccc(NC(=O)CSC2=N[C@@H](c3c[nH]c4ccccc43)NC(=N)N2)c1C ZINC000013579090 569256326 /nfs/dbraw/zinc/25/63/26/569256326.db2.gz LNAYSNNCRYWYLD-IBGZPJMESA-N 0 3 406.515 3.429 50 0 HGAAHN C[C@@H](SC1=N[C@@H](c2c[nH]c3ccccc32)NC(=N)N1)C(=O)N1CCc2ccccc21 ZINC000013579102 569256361 /nfs/dbraw/zinc/25/63/61/569256361.db2.gz MNGDBVFBOPWMRL-YJYMSZOUSA-N 0 3 418.526 3.151 50 0 HGAAHN FC(F)(F)c1ccc(N2CCN(C3CCN(Cc4ccncc4)CC3)CC2)nc1 ZINC000252492698 569290568 /nfs/dbraw/zinc/29/05/68/569290568.db2.gz MSSPXUHQAHLBNV-UHFFFAOYSA-N 0 3 405.468 3.282 50 0 HGAAHN Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN(C)C)c2cc(Cl)ccc2Cl)cc1 ZINC000002202327 569295626 /nfs/dbraw/zinc/29/56/26/569295626.db2.gz QSWBEPXPPKTGDS-HNNXBMFYSA-N 0 3 417.358 3.420 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cnc(O[C@@H]2CCOC2)c(Cl)c1 ZINC000253408614 569366228 /nfs/dbraw/zinc/36/62/28/569366228.db2.gz YJLJKYDPMBVRMN-LJQANCHMSA-N 0 3 415.921 3.297 50 0 HGAAHN OCCN1CCN(CCn2c(-c3ccc(Cl)cc3)cn3c4ccccc4nc32)CC1 ZINC000019854845 569431231 /nfs/dbraw/zinc/43/12/31/569431231.db2.gz IAXMSYQYQQSZTM-UHFFFAOYSA-N 0 3 423.948 3.219 50 0 HGAAHN O=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1CCN(c2ccccn2)CC1 ZINC000071280911 571290640 /nfs/dbraw/zinc/29/06/40/571290640.db2.gz KUNACLVHRQRFKQ-UHFFFAOYSA-N 0 3 412.537 3.452 50 0 HGAAHN O=C(NCc1ccccc1)C(=O)NC[C@@H](c1cccc2ccccc21)N1CCCC1 ZINC000010333862 571300605 /nfs/dbraw/zinc/30/06/05/571300605.db2.gz VXHVEPSMQYJVGE-QHCPKHFHSA-N 0 3 401.510 3.409 50 0 HGAAHN O=C(NCc1cccs1)C(=O)NC[C@H](c1cccc2ccccc21)N1CCCC1 ZINC000010334016 571300639 /nfs/dbraw/zinc/30/06/39/571300639.db2.gz FTJCINLBOKTOTD-OAQYLSRUSA-N 0 3 407.539 3.471 50 0 HGAAHN O=C(N[C@H]1CCCN(CCCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000012307877 132358309 /nfs/dbraw/zinc/35/83/09/132358309.db2.gz YFJDDEGSIGHFJK-QHCPKHFHSA-N 0 3 407.558 3.350 50 0 HGAAHN CCN1CCN(Cc2ccccc2CNS(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000032916506 521688995 /nfs/dbraw/zinc/68/89/95/521688995.db2.gz GLYNAEWHFYYAKM-UHFFFAOYSA-N 0 3 415.603 3.228 50 0 HGAAHN CCNC(=O)[C@@H]1C[C@H](NCc2ccc(F)c(F)c2)CN1Cc1cccc(Cl)c1 ZINC000032518030 521744887 /nfs/dbraw/zinc/74/48/87/521744887.db2.gz VLEVXTWDHATWMA-PXNSSMCTSA-N 0 3 407.892 3.487 50 0 HGAAHN CN(CCCNC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000032765972 522755500 /nfs/dbraw/zinc/75/55/00/522755500.db2.gz DCROPYHRIPZRNY-LJQANCHMSA-N 0 3 402.926 3.078 50 0 HGAAHN CSc1cccc(N2C[C@@H](C(=O)NCCCN3CCc4ccccc4C3)CC2=O)c1 ZINC000032400605 526108698 /nfs/dbraw/zinc/10/86/98/526108698.db2.gz XASKRNFEZXDLOV-FQEVSTJZSA-N 0 3 423.582 3.326 50 0 HGAAHN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CNCCSc1ccc(C)c(C)c1 ZINC000032740422 526307562 /nfs/dbraw/zinc/30/75/62/526307562.db2.gz SGPVLTJHTWJPRE-SFHVURJKSA-N 0 3 407.605 3.358 50 0 HGAAHN O=C(CN1CCC[C@@H](COCc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000056908420 526749967 /nfs/dbraw/zinc/74/99/67/526749967.db2.gz LEYMIFBWOPFBFO-HSZRJFAPSA-N 0 3 407.558 3.264 50 0 HGAAHN Cc1ncc2c(c1-c1noc(C3CCN(C)CC3)n1)CCN(C(=O)c1ccccc1)C2 ZINC000020599408 527316688 /nfs/dbraw/zinc/31/66/88/527316688.db2.gz UAXNSOGLVQCWAX-UHFFFAOYSA-N 0 3 417.513 3.448 50 0 HGAAHN COc1ccccc1N1CCN(C2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000001166236 537068294 /nfs/dbraw/zinc/06/82/94/537068294.db2.gz PTCHBYFZBBZWNS-UHFFFAOYSA-N 0 3 409.530 3.211 50 0 HGAAHN CN(C)CCNC(=O)[C@@H]1CC[C@@H](c2cccc(C(F)(F)F)c2)N(C(=O)C2CC2)C1 ZINC000034710128 557389991 /nfs/dbraw/zinc/38/99/91/557389991.db2.gz SUPQUTHCNXNBFZ-AEFFLSMTSA-N 0 3 411.468 3.073 50 0 HGAAHN CN(C)CCNC(=O)[C@@H]1CC[C@H](c2cccc(C(F)(F)F)c2)N(C(=O)C2CC2)C1 ZINC000034710126 557390131 /nfs/dbraw/zinc/39/01/31/557390131.db2.gz SUPQUTHCNXNBFZ-SJLPKXTDSA-N 0 3 411.468 3.073 50 0 HGAAHN O=C(c1nc2ccccn2c1CNCCc1cccc2ccccc21)N1CCOCC1 ZINC000019720329 558259108 /nfs/dbraw/zinc/25/91/08/558259108.db2.gz CIJUTNMDDSVAQL-UHFFFAOYSA-N 0 3 414.509 3.292 50 0 HGAAHN O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(CN2CCCCC2)cc1 ZINC000010691410 558259819 /nfs/dbraw/zinc/25/98/19/558259819.db2.gz CBFPIUXPJMQWQC-UHFFFAOYSA-N 0 3 407.514 3.397 50 0 HGAAHN COc1cccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c1OC ZINC000019788017 558281863 /nfs/dbraw/zinc/28/18/63/558281863.db2.gz PYGRLAOVRMLFGV-UHFFFAOYSA-N 0 3 409.574 3.486 50 0 HGAAHN COCCN1C(=O)N(Cc2ccccc2)C2(CCN(CCc3ccccc3)CC2)C1=O ZINC000019794655 558284046 /nfs/dbraw/zinc/28/40/46/558284046.db2.gz FMDKOGWIDDVOKM-UHFFFAOYSA-N 0 3 421.541 3.175 50 0 HGAAHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1cccc(F)c1 ZINC000019819152 558289298 /nfs/dbraw/zinc/28/92/98/558289298.db2.gz RJAWTDDMPQSPPT-QGZVFWFLSA-N 0 3 400.381 3.403 50 0 HGAAHN CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(CC1CCCCC1)CC2 ZINC000012244530 558361059 /nfs/dbraw/zinc/36/10/59/558361059.db2.gz SSOUBQPSZTZQRC-OAQYLSRUSA-N 0 3 410.566 3.239 50 0 HGAAHN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3ccc(CO)o3)C2)c(OC)c1 ZINC000012386027 558394795 /nfs/dbraw/zinc/39/47/95/558394795.db2.gz LBOSCTWNGUFEGM-KRWDZBQOSA-N 0 3 416.518 3.098 50 0 HGAAHN CCOC(=O)C1C(CN2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000012412536 558401196 /nfs/dbraw/zinc/40/11/96/558401196.db2.gz GNKWWMYSQVHRQX-KSMMKXTCSA-N 0 3 405.926 3.489 50 0 HGAAHN CN(C(=O)COc1ncnc2ccccc21)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012443150 558413000 /nfs/dbraw/zinc/41/30/00/558413000.db2.gz UQFDMQPYMVCOEN-HXUWFJFHSA-N 0 3 416.525 3.099 50 0 HGAAHN COc1ccc(-n2ccnc2CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)cc1 ZINC000020905864 558420754 /nfs/dbraw/zinc/42/07/54/558420754.db2.gz BTKUCLKVOZMAQD-QFIPXVFZSA-N 0 3 412.578 3.330 50 0 HGAAHN Cc1ccc(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1C ZINC000020909219 558421673 /nfs/dbraw/zinc/42/16/73/558421673.db2.gz OBZHUORLYMSNTC-UHFFFAOYSA-N 0 3 407.493 3.022 50 0 HGAAHN O=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000012582894 558433147 /nfs/dbraw/zinc/43/31/47/558433147.db2.gz COWIOGCWOGYWEJ-OAQYLSRUSA-N 0 3 404.514 3.493 50 0 HGAAHN CN(C(=O)c1cc2ccccc2oc1=O)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012590428 558435496 /nfs/dbraw/zinc/43/54/96/558435496.db2.gz MMJDIUPXTZPVAE-HXUWFJFHSA-N 0 3 402.494 3.497 50 0 HGAAHN COc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc1 ZINC000021795149 558449330 /nfs/dbraw/zinc/44/93/30/558449330.db2.gz QFTXWSWDQDCTCK-UHFFFAOYSA-N 0 3 410.522 3.138 50 0 HGAAHN COc1ccc([C@@H](CNCc2ccc(OC)c(OC(F)F)c2)N2CCOCC2)cc1 ZINC000022789509 558511876 /nfs/dbraw/zinc/51/18/76/558511876.db2.gz DBXYBWASSMUFAY-LJQANCHMSA-N 0 3 422.472 3.468 50 0 HGAAHN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3cccc4nonc43)C2)CC1 ZINC000023373983 558554229 /nfs/dbraw/zinc/55/42/29/558554229.db2.gz RFCKWPUKMGJAKY-LJQANCHMSA-N 0 3 407.518 3.018 50 0 HGAAHN CN(Cc1ccccc1CN1CCCC1)C(=O)[C@@H]1CCC(=O)N(Cc2ccccn2)C1 ZINC000012448100 558592589 /nfs/dbraw/zinc/59/25/89/558592589.db2.gz NJOTWNXTGFCRNO-JOCHJYFZSA-N 0 3 420.557 3.075 50 0 HGAAHN CCCn1nc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c2ccccc2c1=O ZINC000014248904 558649194 /nfs/dbraw/zinc/64/91/94/558649194.db2.gz HVVWZHAMXBQYJB-NRFANRHFSA-N 0 3 404.514 3.373 50 0 HGAAHN COCCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC000014741046 558666994 /nfs/dbraw/zinc/66/69/94/558666994.db2.gz MXFCLYSXVOGDND-UHFFFAOYSA-N 0 3 412.534 3.069 50 0 HGAAHN C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1CCC2(CCN(Cc3ccncc3)CC2)O1 ZINC000014883622 558677003 /nfs/dbraw/zinc/67/70/03/558677003.db2.gz PYJZJMHPBPNGNU-UGKGYDQZSA-N 0 3 409.530 3.179 50 0 HGAAHN O=C(Cc1c(F)cccc1F)NC[C@@H]1CCC2(CCN(Cc3cccnc3)CC2)O1 ZINC000014884381 558677149 /nfs/dbraw/zinc/67/71/49/558677149.db2.gz LVHZKKHDSPHFSH-SFHVURJKSA-N 0 3 415.484 3.232 50 0 HGAAHN COC1CCN(Cc2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)CC1 ZINC000014964469 558685376 /nfs/dbraw/zinc/68/53/76/558685376.db2.gz BARYESJIWULGLU-HSZRJFAPSA-N 0 3 410.558 3.095 50 0 HGAAHN COc1ccc(NC(=O)CCC2CCN(Cc3cnn(C)c3C)CC2)c(OC)c1 ZINC000014981107 558691546 /nfs/dbraw/zinc/69/15/46/558691546.db2.gz RTNCNTAEWYCYBI-UHFFFAOYSA-N 0 3 400.523 3.377 50 0 HGAAHN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](N(C)CCc3ccccc3)C2)c1 ZINC000015066316 558708985 /nfs/dbraw/zinc/70/89/85/558708985.db2.gz KZURAADQHPYANY-LJQANCHMSA-N 0 3 418.559 3.031 50 0 HGAAHN Cc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)cn1 ZINC000015073245 558714293 /nfs/dbraw/zinc/71/42/93/558714293.db2.gz NVBQNHPPQBNHHE-HXUWFJFHSA-N 0 3 412.553 3.445 50 0 HGAAHN C[C@H](Cc1cnccn1)NC(=O)C1(N(C)Cc2ccccc2)Cc2ccccc2C1 ZINC000039354917 558820260 /nfs/dbraw/zinc/82/02/60/558820260.db2.gz LBLNGKJPGWDPBS-LJQANCHMSA-N 0 3 400.526 3.193 50 0 HGAAHN Cc1nnc(C(=O)Nc2ccc(C(=O)NCCCN(C)Cc3ccccc3)cc2)s1 ZINC000033011030 558830369 /nfs/dbraw/zinc/83/03/69/558830369.db2.gz HJFBOUGKRAQWMC-UHFFFAOYSA-N 0 3 423.542 3.351 50 0 HGAAHN CCCc1nnc(C(=O)Nc2cccc(C(=O)NCCN3CCCC[C@@H]3C)c2)s1 ZINC000033022778 558838154 /nfs/dbraw/zinc/83/81/54/558838154.db2.gz TVUOHGVCFQOKMF-HNNXBMFYSA-N 0 3 415.563 3.347 50 0 HGAAHN CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCCN3CCCCCC3)c2)C1 ZINC000033035908 558860014 /nfs/dbraw/zinc/86/00/14/558860014.db2.gz IADOLEUEKDSFAH-OAQYLSRUSA-N 0 3 400.567 3.201 50 0 HGAAHN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCCN3CCC(C)CC3)C2)s1 ZINC000033078443 558867925 /nfs/dbraw/zinc/86/79/25/558867925.db2.gz BTSJCHQWHGDTND-QGZVFWFLSA-N 0 3 415.607 3.318 50 0 HGAAHN Cc1c(CN2CCC[C@@](CO)(Cc3ccccc3F)C2)c(=O)n(-c2ccccc2)n1C ZINC000055036635 558870136 /nfs/dbraw/zinc/87/01/36/558870136.db2.gz HPPARZKBZXTMNP-RUZDIDTESA-N 0 3 423.532 3.441 50 0 HGAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000057997478 558893741 /nfs/dbraw/zinc/89/37/41/558893741.db2.gz LUOXQBIVETZRHH-LJQANCHMSA-N 0 3 423.542 3.312 50 0 HGAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(-c2nc3ccccc3n(C)c2=O)cc1 ZINC000033171805 558900579 /nfs/dbraw/zinc/90/05/79/558900579.db2.gz BGUPJDGQBLUKJQ-QGZVFWFLSA-N 0 3 404.514 3.205 50 0 HGAAHN Cc1cc2nc(C)c(=O)n(CC(=O)NC3CCN(Cc4ccccc4)CC3)c2cc1C ZINC000033254790 558920094 /nfs/dbraw/zinc/92/00/94/558920094.db2.gz GRBRYFJUNRPMBC-UHFFFAOYSA-N 0 3 418.541 3.103 50 0 HGAAHN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(CCN(C)C)c2ccccc2)c1 ZINC000058440725 558927598 /nfs/dbraw/zinc/92/75/98/558927598.db2.gz NNKBCCFSIREAJI-UHFFFAOYSA-N 0 3 417.575 3.234 50 0 HGAAHN COc1ccc2c(c1)C=C(CN1CCN(CCCc3ccccc3)[C@@H](CCO)C1)CO2 ZINC000019635668 558947535 /nfs/dbraw/zinc/94/75/35/558947535.db2.gz VMVGWGCBOBCOLS-DEOSSOPVSA-N 0 3 422.569 3.472 50 0 HGAAHN COc1cc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc(OC)c1OC ZINC000065361939 558972570 /nfs/dbraw/zinc/97/25/70/558972570.db2.gz ARVYLFFKHVVDMU-UHFFFAOYSA-N 0 3 400.475 3.438 50 0 HGAAHN COc1cc2cc(CN(C)C[C@H](O)CO)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000077505933 559007677 /nfs/dbraw/zinc/00/76/77/559007677.db2.gz HEDWCHSKLFNNDV-SFHVURJKSA-N 0 3 416.905 3.357 50 0 HGAAHN Cc1cc(NC(=O)C(=O)NCC2CCN(Cc3ccco3)CC2)c2ccccc2n1 ZINC000023127494 559015858 /nfs/dbraw/zinc/01/58/58/559015858.db2.gz GOYUAOHPJXCBTH-UHFFFAOYSA-N 0 3 406.486 3.103 50 0 HGAAHN O=C(c1cnc[nH]1)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000095502298 559082634 /nfs/dbraw/zinc/08/26/34/559082634.db2.gz OHSVOMWBJGWQGX-LJQANCHMSA-N 0 3 400.498 3.082 50 0 HGAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cccn1C ZINC000095505358 559083091 /nfs/dbraw/zinc/08/30/91/559083091.db2.gz CCDJGBWSWWIBGT-LJQANCHMSA-N 0 3 400.542 3.080 50 0 HGAAHN COc1ccc(CN2CCc3sccc3C2)cc1OC[C@H](O)CN1CCCC1 ZINC000095523550 559085612 /nfs/dbraw/zinc/08/56/12/559085612.db2.gz NOSDYEUDXRAJED-LJQANCHMSA-N 0 3 402.560 3.151 50 0 HGAAHN Cc1nc(CN(C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)no1 ZINC000095523622 559085622 /nfs/dbraw/zinc/08/56/22/559085622.db2.gz IESGDADYBIOZJC-FQEVSTJZSA-N 0 3 402.514 3.410 50 0 HGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@@H]3C2=O)cc1 ZINC000100722323 559138505 /nfs/dbraw/zinc/13/85/05/559138505.db2.gz ZWEYECKGSIUVIR-PCCBWWKXSA-N 0 3 401.422 3.141 50 0 HGAAHN CC(C)c1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)cc1 ZINC000004851716 559191209 /nfs/dbraw/zinc/19/12/09/559191209.db2.gz LZHRUCZOAQUVLT-UHFFFAOYSA-N 0 3 414.575 3.148 50 0 HGAAHN COc1ccc(-c2noc(CCC(=O)NC3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000004933277 559211006 /nfs/dbraw/zinc/21/10/06/559211006.db2.gz XVFHKYJTPCOZBS-UHFFFAOYSA-N 0 3 420.513 3.459 50 0 HGAAHN CCN(CC)CCN(CCC(F)(F)F)CC(=O)Nc1cc(OC)ccc1OC ZINC000079053519 560541554 /nfs/dbraw/zinc/54/15/54/560541554.db2.gz FXWOYUBXABFRRE-UHFFFAOYSA-N 0 3 405.461 3.239 50 0 HGAAHN COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C(C)C)N[C@@]23c2cc(C)ccc2NC3=O)c1 ZINC000005484056 560596771 /nfs/dbraw/zinc/59/67/71/560596771.db2.gz GDXJQZFJTRLPIA-YJLYGGOZSA-N 0 3 423.513 3.432 50 0 HGAAHN COc1ccc(-c2noc3c(O)n(-c4ccc5ccccc5c4)c(O)c23)c(OC)c1 ZINC000101214441 560790043 /nfs/dbraw/zinc/79/00/43/560790043.db2.gz OCDKRZKEVHNGKR-CTNGQTDRSA-N 0 3 402.406 3.150 50 0 HGAAHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000102914554 560835348 /nfs/dbraw/zinc/83/53/48/560835348.db2.gz AIRJRZRRFRLGKT-HSALFYBXSA-N 0 3 418.405 3.117 50 0 HGAAHN C[C@@H](CCN1CCN(c2ccccc2)CC1)NC(=O)Nc1cccnc1N1CCCC1 ZINC000048276387 568435584 /nfs/dbraw/zinc/43/55/84/568435584.db2.gz HKYZAQJUSIKNFQ-FQEVSTJZSA-N 0 3 422.577 3.404 50 0 HGAAHN COc1ccc(-c2noc(CCCC(=O)NCc3ccc(CN(C)C)cc3)n2)cc1 ZINC000048300480 568437466 /nfs/dbraw/zinc/43/74/66/568437466.db2.gz XFNAQWUIGFADCL-UHFFFAOYSA-N 0 3 408.502 3.446 50 0 HGAAHN CC(=O)N1CCc2cc(C(=O)N[C@@H]3CC4(CCN(C)CC4)Oc4ccccc43)ccc21 ZINC000048326415 568439758 /nfs/dbraw/zinc/43/97/58/568439758.db2.gz SLHQNVWTHTYKHY-OAQYLSRUSA-N 0 3 419.525 3.314 50 0 HGAAHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000048332039 568439853 /nfs/dbraw/zinc/43/98/53/568439853.db2.gz XVSUPBPZAKJNMG-UHFFFAOYSA-N 0 3 409.577 3.239 50 0 HGAAHN CSc1ncc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)n1-c1ccccc1 ZINC000048355737 568441575 /nfs/dbraw/zinc/44/15/75/568441575.db2.gz LJYDFLFZUYACKS-IRXDYDNUSA-N 0 3 402.564 3.213 50 0 HGAAHN CCN1CCc2ncnc(SCC(=O)Nc3ccc(Br)cc3)c2C1 ZINC000049401006 568447592 /nfs/dbraw/zinc/44/75/92/568447592.db2.gz RCQFQFXPIZERHA-UHFFFAOYSA-N 0 3 407.337 3.348 50 0 HGAAHN Cc1n[nH]cc1CCCNC(=O)[C@@H](C)CNCc1ccc(OCc2ccncc2)cc1 ZINC000095400401 568604971 /nfs/dbraw/zinc/60/49/71/568604971.db2.gz FGGYGJMKMODPIH-SFHVURJKSA-N 0 3 421.545 3.167 50 0 HGAAHN CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCN1CCC(C)CC1 ZINC000040108075 568623241 /nfs/dbraw/zinc/62/32/41/568623241.db2.gz ZONZAERYUVJOFV-PJVWNMJMSA-N 0 3 403.611 3.192 50 0 HGAAHN Cn1c(CN2CCCCCC2)cc(=O)c(O)c1CN1CCO[C@@H](c2ccccc2)C1 ZINC000095480129 568633130 /nfs/dbraw/zinc/63/31/30/568633130.db2.gz ZXTUUBLLUHUDIF-HSZRJFAPSA-N 0 3 411.546 3.040 50 0 HGAAHN COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)cc1 ZINC000229884413 568715831 /nfs/dbraw/zinc/71/58/31/568715831.db2.gz ZWEYECKGSIUVIR-PWRODBHTSA-N 0 3 401.422 3.141 50 0 HGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@@H]3C2=O)cc1 ZINC000229884413 568715834 /nfs/dbraw/zinc/71/58/34/568715834.db2.gz ZWEYECKGSIUVIR-PWRODBHTSA-N 0 3 401.422 3.141 50 0 HGAAHN Cc1ccc(-n2c(CC(=O)NCCN3CCCC[C@@H]3C)c3[nH]cccc-3c2=O)cc1 ZINC000096386977 568743777 /nfs/dbraw/zinc/74/37/77/568743777.db2.gz BPYJVMITHDWYSX-RXVVDRJESA-N 0 3 406.530 3.472 50 0 HGAAHN CCCN1CCN(CCCNc2nc3c(cnn3C)c(Nc3ccc(C)cc3)n2)CC1 ZINC000021928934 568761512 /nfs/dbraw/zinc/76/15/12/568761512.db2.gz ISHVCRMKBQOUOZ-UHFFFAOYSA-N 0 3 422.581 3.245 50 0 HGAAHN O=C(CC[C@@H](O)c1ccc2c(c1)CCC(=O)N2)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000230283512 568857643 /nfs/dbraw/zinc/85/76/43/568857643.db2.gz WDJHVOIQPUXOTG-JTHBVZDNSA-N 0 3 421.541 3.166 50 0 HGAAHN Cc1cnc(CNC2CCN(c3cccc(NC(=O)c4cccnc4)c3)CC2)cn1 ZINC000299758243 568872996 /nfs/dbraw/zinc/87/29/96/568872996.db2.gz QFYDUEFUXCTDMK-UHFFFAOYSA-N 0 3 402.502 3.191 50 0 HGAAHN CN(C)CCNC(=O)[C@@H]1C[C@H](Sc2ccc(F)cc2)CN1Cc1ccccc1F ZINC000299785096 568875424 /nfs/dbraw/zinc/87/54/24/568875424.db2.gz ZHLHVPOQDJTOGS-FPOVZHCZSA-N 0 3 419.541 3.378 50 0 HGAAHN Cc1ccc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)cc1 ZINC000299787519 568875666 /nfs/dbraw/zinc/87/56/66/568875666.db2.gz MTBUDESHDONICE-HSZRJFAPSA-N 0 3 412.505 3.405 50 0 HGAAHN CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[C@@H](O)CN(C)Cc1ccccc1)C2=O ZINC000058167328 568895500 /nfs/dbraw/zinc/89/55/00/568895500.db2.gz BVCLBYHIMDQNRW-VIHQBZHPSA-N 0 3 415.578 3.396 50 0 HGAAHN COc1ccc([C@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@H]2OC(C)=O)cc1 ZINC000000601259 568930024 /nfs/dbraw/zinc/93/00/24/568930024.db2.gz HSUGRBWQSSZJOP-LEWJYISDSA-N 0 3 414.527 3.369 50 0 in-man HGAAHN COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@H]2OC(C)=O)cc1 ZINC000000621892 568930038 /nfs/dbraw/zinc/93/00/38/568930038.db2.gz HSUGRBWQSSZJOP-SFTDATJTSA-N 0 3 414.527 3.369 50 0 in-man HGAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000007988586 568966031 /nfs/dbraw/zinc/96/60/31/568966031.db2.gz PSGVWFZBBWVYHK-JOCHJYFZSA-N 0 3 406.530 3.321 50 0 HGAAHN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)NCCCN3CCCCCC3)ccc2S1 ZINC000015730928 568981507 /nfs/dbraw/zinc/98/15/07/568981507.db2.gz WFLAQSSSPXWCQK-OAHLLOKOSA-N 0 3 411.593 3.054 50 0 HGAAHN CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)ccc1O ZINC000008254249 568985436 /nfs/dbraw/zinc/98/54/36/568985436.db2.gz LOTOVNLGYVCQDH-OAQYLSRUSA-N 0 3 422.481 3.394 50 0 HGAAHN CNS(=O)(=O)c1ccc(-c2ccc(CNCCOc3ccc(OC)cc3)o2)cc1 ZINC000012813547 568987723 /nfs/dbraw/zinc/98/77/23/568987723.db2.gz GSUFVXXAMWUELT-UHFFFAOYSA-N 0 3 416.499 3.032 50 0 HGAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000012910657 569021535 /nfs/dbraw/zinc/02/15/35/569021535.db2.gz JSCAQWWFZMRCPY-FCHUYYIVSA-N 0 3 407.514 3.371 50 0 HGAAHN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)NCCN1CCCC1 ZINC000006200521 569031625 /nfs/dbraw/zinc/03/16/25/569031625.db2.gz CMOBQVFYJYZYPO-DEOSSOPVSA-N 0 3 416.525 3.234 50 0 HGAAHN CC1(C)Cc2cccc(OCC(=O)N3CCCN(C4CCSCC4)CC3)c2O1 ZINC000575605299 569032061 /nfs/dbraw/zinc/03/20/61/569032061.db2.gz CWLBOSGHLLVSSN-UHFFFAOYSA-N 0 3 404.576 3.209 50 0 HGAAHN O=C(NCCN1CCCCCC1)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000035398341 569035158 /nfs/dbraw/zinc/03/51/58/569035158.db2.gz JSWPMUCURYXQRY-UHFFFAOYSA-N 0 3 407.562 3.352 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000035429202 569036637 /nfs/dbraw/zinc/03/66/37/569036637.db2.gz MIYSYOWGJZUUAL-NRFANRHFSA-N 0 3 411.933 3.474 50 0 HGAAHN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000239807481 569054516 /nfs/dbraw/zinc/05/45/16/569054516.db2.gz CSHCHLRAVWKDSV-NQIIRXRSSA-N 0 3 402.583 3.124 50 0 HGAAHN CNS(=O)(=O)c1ccc(NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)c(F)c1 ZINC000089395784 569059238 /nfs/dbraw/zinc/05/92/38/569059238.db2.gz XEYSIVKEFRGESI-NRFANRHFSA-N 0 3 421.538 3.382 50 0 HGAAHN COCCCN(Cc1cccc(OC)c1OC)C[C@@H](O)COCc1ccccc1 ZINC000036097166 569090191 /nfs/dbraw/zinc/09/01/91/569090191.db2.gz RSKCGMIADNKZCZ-OAQYLSRUSA-N 0 3 403.519 3.120 50 0 HGAAHN COC(=O)c1ccc(-c2ccco2)n1CC(=O)NCCCN1CCc2ccccc2C1 ZINC000006871317 569161975 /nfs/dbraw/zinc/16/19/75/569161975.db2.gz ARVBHFVRNUXASJ-UHFFFAOYSA-N 0 3 421.497 3.099 50 0 HGAAHN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NCc1ccccc1CN(C)C ZINC000006882024 569168173 /nfs/dbraw/zinc/16/81/73/569168173.db2.gz CIBUWTWXHXCEIA-OAQYLSRUSA-N 0 3 413.587 3.225 50 0 HGAAHN O=C(Cc1ccccc1)N1CCC[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000036395498 569168746 /nfs/dbraw/zinc/16/87/46/569168746.db2.gz OGBGEZOFZDCZCW-QHCPKHFHSA-N 0 3 419.569 3.249 50 0 HGAAHN CCCN(CCC)CCNC(=O)c1ccc(C[S@](=O)c2ccc(OC)cc2)o1 ZINC000006895625 569175500 /nfs/dbraw/zinc/17/55/00/569175500.db2.gz DNYDSYPZDJRBRI-MUUNZHRXSA-N 0 3 406.548 3.448 50 0 HGAAHN CCc1nc2c(c(=O)n1CC(=O)Nc1ccccc1)CN(Cc1ccccc1)CC2 ZINC000065153548 569187513 /nfs/dbraw/zinc/18/75/13/569187513.db2.gz CWAJJAGJAFEDHF-UHFFFAOYSA-N 0 3 402.498 3.003 50 0 HGAAHN CCCN1CCN(c2nnc(-n3cccc3CNCc3ccc(C)o3)s2)CC1 ZINC000007002120 569198898 /nfs/dbraw/zinc/19/88/98/569198898.db2.gz PJWNNAPXVXEPCU-UHFFFAOYSA-N 0 3 400.552 3.052 50 0 HGAAHN Cc1ccc(-c2nnc(N3CCC(C(=O)NCCN4CCCCCC4)CC3)o2)cc1 ZINC000065229618 569200511 /nfs/dbraw/zinc/20/05/11/569200511.db2.gz DPXNLNSCWRJQMH-UHFFFAOYSA-N 0 3 411.550 3.254 50 0 HGAAHN COc1ccc(CNC(=O)c2cccnc2N2CCN[C@H](c3ccccc3)C2)cc1 ZINC000065255812 569208082 /nfs/dbraw/zinc/20/80/82/569208082.db2.gz SXLNJMYMTYQDTC-QFIPXVFZSA-N 0 3 402.498 3.171 50 0 HGAAHN COc1cccc(CNC(=O)c2cccc(N3CCN[C@H](c4ccccc4)C3)n2)c1 ZINC000065256309 569208430 /nfs/dbraw/zinc/20/84/30/569208430.db2.gz GUJJUCRTQPEAPQ-QFIPXVFZSA-N 0 3 402.498 3.171 50 0 HGAAHN O=C(NC1CC1)c1ccc(N2CC[C@H](NCc3ccc(Br)cc3)C2)nc1 ZINC000065256964 569208520 /nfs/dbraw/zinc/20/85/20/569208520.db2.gz FLRNYSVFBBWYBG-SFHVURJKSA-N 0 3 415.335 3.105 50 0 HGAAHN CN(C)C[C@@H](CNC(=O)Nc1cc2c(cc1Cl)OCCO2)[C@@H](O)c1ccccc1 ZINC000065479322 569231646 /nfs/dbraw/zinc/23/16/46/569231646.db2.gz BPDDWYHHXDCHAE-QRWLVFNGSA-N 0 3 419.909 3.144 50 0 HGAAHN CC1(C)Oc2ccc(NC(=O)NCc3ccccc3CN3CCC[C@@H]3CO)cc2O1 ZINC000170593777 569241300 /nfs/dbraw/zinc/24/13/00/569241300.db2.gz ATBQFAWLARIERC-LJQANCHMSA-N 0 3 411.502 3.472 50 0 HGAAHN N=C1NC(SCC(=O)Nc2cccc(Cl)c2)=N[C@@H](c2c[nH]c3ccccc32)N1 ZINC000013579217 569256445 /nfs/dbraw/zinc/25/64/45/569256445.db2.gz NLZRGGFTFMXGJE-KRWDZBQOSA-N 0 3 412.906 3.466 50 0 HGAAHN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000089791046 569266268 /nfs/dbraw/zinc/26/62/68/569266268.db2.gz IXXGBLUGLVDKAX-VXKWHMMOSA-N 0 3 411.521 3.361 50 0 HGAAHN COCCn1c(C)cc(O)c([C@H](c2ccc(OC)cc2)N2CCC(C)CC2)c1=O ZINC000016993353 569270819 /nfs/dbraw/zinc/27/08/19/569270819.db2.gz SYVLNQLWWGBXCZ-QFIPXVFZSA-N 0 3 400.519 3.339 50 0 HGAAHN Cc1cccc(C(=O)N2CCCN(C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC000170639685 569281359 /nfs/dbraw/zinc/28/13/59/569281359.db2.gz UGUZSXWUBGIULH-IBGZPJMESA-N 0 3 401.551 3.400 50 0 HGAAHN CC(C)N1CCN([C@H]2CCOC3(CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)C2)CC1 ZINC000581819687 569320701 /nfs/dbraw/zinc/32/07/01/569320701.db2.gz CATAXIACOWCJRH-QFIPXVFZSA-N 0 3 424.589 3.348 50 0 HGAAHN COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(OC(F)(F)Cl)cc3)C2=O)cc1 ZINC000008817740 571121404 /nfs/dbraw/zinc/12/14/04/571121404.db2.gz LLMXCEQVXZVKLR-KRWDZBQOSA-N 0 3 424.831 3.327 50 0 HGAAHN CCN(CC)[C@H](CNC(=O)N1CCN(c2nccs2)CC1)c1cccc(OC)c1 ZINC000040071231 571151993 /nfs/dbraw/zinc/15/19/93/571151993.db2.gz HCLHSGPNMDXOSM-LJQANCHMSA-N 0 3 417.579 3.066 50 0 HGAAHN CCN1CCN(Cc2ccccc2CNC(=O)COc2ccccc2Cl)CC1 ZINC000040089829 571159634 /nfs/dbraw/zinc/15/96/34/571159634.db2.gz OSRLYJXRKDYPMJ-UHFFFAOYSA-N 0 3 401.938 3.173 50 0 HGAAHN CCN(CC)CCn1cnc2c(c(C)c(C)n2-c2ccc(Br)cn2)c1=N ZINC000009423353 571257516 /nfs/dbraw/zinc/25/75/16/571257516.db2.gz AEQUJMGFANZBHR-UHFFFAOYSA-N 0 3 417.355 3.423 50 0 HGAAHN COc1ccccc1[C@H]1[C@H](C(=O)NCCN(C)C)CCC(=O)N1c1ccc(C)cc1 ZINC000007987382 132326745 /nfs/dbraw/zinc/32/67/45/132326745.db2.gz NNDOECCHAVBTMV-OFNKIYASSA-N 0 3 409.530 3.166 50 0 HGAAHN CN(C)CCNc1nnnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 ZINC000012390254 132359414 /nfs/dbraw/zinc/35/94/14/132359414.db2.gz GBOYQXZLCRXDEB-UHFFFAOYSA-N 0 3 411.579 3.477 50 0 HGAAHN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000032399034 519820009 /nfs/dbraw/zinc/82/00/09/519820009.db2.gz LQSSUHLMADYJJS-QFIPXVFZSA-N 0 3 411.521 3.145 50 0 HGAAHN CCN(CC)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccsc1 ZINC000031984572 520835261 /nfs/dbraw/zinc/83/52/61/520835261.db2.gz VBHHOOQOVGGJLV-AEFFLSMTSA-N 0 3 403.548 3.393 50 0 HGAAHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1Br)C1CCCCC1 ZINC000041642193 522068693 /nfs/dbraw/zinc/06/86/93/522068693.db2.gz PQEIPINNSBALMH-MRXNPFEDSA-N 0 3 414.319 3.153 50 0 HGAAHN CNS(=O)(=O)c1ccc(-c2ccc(CNCCCn3cnc4ccccc43)o2)cc1 ZINC000032860473 522274748 /nfs/dbraw/zinc/27/47/48/522274748.db2.gz UMVBTKOTKIABBI-UHFFFAOYSA-N 0 3 424.526 3.384 50 0 HGAAHN COc1cc(CS(=O)(=O)C(C)C(=O)N(C)C2CCCCC2)ccc1OC(F)F ZINC000032929814 522500698 /nfs/dbraw/zinc/50/06/98/522500698.db2.gz JQISUYRFFNXVHQ-CYBMUJFWSA-N 0 3 419.490 3.391 50 0 HGAAHN COc1ccc(CN2CCN(Cc3cc(C(C)C)[nH]n3)C[C@@H]2CCO)c(C)c1C ZINC000020539371 524033396 /nfs/dbraw/zinc/03/33/96/524033396.db2.gz JEETWZPEWNJZQD-NRFANRHFSA-N 0 3 400.567 3.227 50 0 HGAAHN C[C@@H](NC(=O)CCC[S@](=O)c1ccc(Br)cc1)C(C)(C)CN(C)C ZINC000072297869 525085888 /nfs/dbraw/zinc/08/58/88/525085888.db2.gz ZVSYDZKYKYZOBF-JBEBIEQOSA-N 0 3 417.413 3.429 50 0 HGAAHN CSc1cccc(N2C[C@H](C(=O)NCCCN3CCc4ccccc4C3)CC2=O)c1 ZINC000032400608 526107706 /nfs/dbraw/zinc/10/77/06/526107706.db2.gz XASKRNFEZXDLOV-HXUWFJFHSA-N 0 3 423.582 3.326 50 0 HGAAHN COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1Br ZINC000010544046 557420185 /nfs/dbraw/zinc/42/01/85/557420185.db2.gz LTJBWQVGFSIDCC-ZIAGYGMSSA-N 0 3 419.385 3.104 50 0 HGAAHN CCN(CC)CCn1c2ccccc2n(C[C@@H](O)COc2ccc(Cl)cc2)c1=N ZINC000005016324 557626115 /nfs/dbraw/zinc/62/61/15/557626115.db2.gz BMYZMZJZHZOWRG-GOSISDBHSA-N 0 3 416.953 3.357 50 0 HGAAHN CN(c1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1)S(C)(=O)=O ZINC000010334117 557860967 /nfs/dbraw/zinc/86/09/67/557860967.db2.gz GULRGVUQBREHIB-UHFFFAOYSA-N 0 3 401.532 3.321 50 0 HGAAHN COc1ccc(CN2CCC3(CC[C@H](CNC(=O)c4ccccc4)O3)CC2)cc1O ZINC000011783972 558275356 /nfs/dbraw/zinc/27/53/56/558275356.db2.gz PPRXQYBOTFAXTE-HXUWFJFHSA-N 0 3 410.514 3.344 50 0 HGAAHN Cc1cccc(CN2CCC3(C[C@H]3C(=O)NCCc3nc4ccccc4n3C)CC2)n1 ZINC000011789624 558277158 /nfs/dbraw/zinc/27/71/58/558277158.db2.gz KCBAQQGEMSFQIZ-FQEVSTJZSA-N 0 3 417.557 3.238 50 0 HGAAHN COc1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000019817523 558287879 /nfs/dbraw/zinc/28/78/79/558287879.db2.gz RDKDDEUEQQYNOC-YLJYHZDGSA-N 0 3 420.469 3.140 50 0 HGAAHN COc1ccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000019817519 558287893 /nfs/dbraw/zinc/28/78/93/558287893.db2.gz RDKDDEUEQQYNOC-FXAWDEMLSA-N 0 3 420.469 3.140 50 0 HGAAHN COc1ccc(CN2CCC3(CC[C@H](CNC(=O)c4cccnc4)O3)CC2)cc1C ZINC000011970867 558304766 /nfs/dbraw/zinc/30/47/66/558304766.db2.gz GPGLAQTVVLISTR-OAQYLSRUSA-N 0 3 409.530 3.342 50 0 HGAAHN CCN1CCC[C@H]1CNC(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C(C)C ZINC000012021371 558309492 /nfs/dbraw/zinc/30/94/92/558309492.db2.gz JMKIPCJLHUDXNZ-INIZCTEOSA-N 0 3 408.506 3.260 50 0 HGAAHN COc1ccc(CN(C)Cc2csc(C)n2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000012197962 558350615 /nfs/dbraw/zinc/35/06/15/558350615.db2.gz KHNUIOFLFDUAJZ-FQEVSTJZSA-N 0 3 419.591 3.318 50 0 HGAAHN O=C1C[C@H](NCC2CCCCC2)C(=O)N1c1ccc(I)cc1 ZINC000020271348 558352791 /nfs/dbraw/zinc/35/27/91/558352791.db2.gz AJAPBXKAEIYKCD-HNNXBMFYSA-N 0 3 412.271 3.093 50 0 HGAAHN CN(CCc1ccccc1)C1(C(=O)N2CCc3n[nH]cc3C2)Cc2ccccc2C1 ZINC000012439301 558410889 /nfs/dbraw/zinc/41/08/89/558410889.db2.gz UKWYTJCPDCYZFZ-UHFFFAOYSA-N 0 3 400.526 3.007 50 0 HGAAHN CN(CCc1ccccc1)[C@H]1CCCN(C(=O)c2cn(C)c3ccccc3c2=O)C1 ZINC000012574191 558430367 /nfs/dbraw/zinc/43/03/67/558430367.db2.gz UMMQVTFIOPLQTA-FQEVSTJZSA-N 0 3 403.526 3.318 50 0 HGAAHN O=C(NCCn1cccn1)c1cccc(OC2CCN(CCc3ccccc3)CC2)c1 ZINC000012749489 558458898 /nfs/dbraw/zinc/45/88/98/558458898.db2.gz HGJVQCXBNNXTMT-UHFFFAOYSA-N 0 3 418.541 3.399 50 0 HGAAHN COc1ccc([C@@H](CNCc2ccc(OC(F)F)c(OC)c2)N2CCOCC2)cc1 ZINC000022789497 558511936 /nfs/dbraw/zinc/51/19/36/558511936.db2.gz UCCUDYXXDBBGLU-LJQANCHMSA-N 0 3 422.472 3.468 50 0 HGAAHN O=C(CSc1nnc(CCC2CCCC2)[nH]1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000023080919 558533918 /nfs/dbraw/zinc/53/39/18/558533918.db2.gz BJTJTHUFKMANSM-LJQANCHMSA-N 0 3 413.591 3.410 50 0 HGAAHN O=C(CSc1n[nH]c(CCC2CCCC2)n1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000023080919 558533922 /nfs/dbraw/zinc/53/39/22/558533922.db2.gz BJTJTHUFKMANSM-LJQANCHMSA-N 0 3 413.591 3.410 50 0 HGAAHN Cc1ccccc1N1CCN([C@@H]2CCCN(Cc3cccc(OCCO)c3)C2)CC1 ZINC000023374776 558554549 /nfs/dbraw/zinc/55/45/49/558554549.db2.gz YIQOXRWEUIZLFK-HSZRJFAPSA-N 0 3 409.574 3.153 50 0 HGAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(C)cc2F)n2c3ccccc3nc21 ZINC000023411238 558557401 /nfs/dbraw/zinc/55/74/01/558557401.db2.gz BVKGGFDHAQQWDX-LJQANCHMSA-N 0 3 410.449 3.437 50 0 HGAAHN COC(=O)c1ccc(N2C(=O)C[C@@H](NCCC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000004452353 558588641 /nfs/dbraw/zinc/58/86/41/558588641.db2.gz ADRMXWZYTIGXGZ-XOQVKLMPSA-N 0 3 410.514 3.301 50 0 HGAAHN O=C(CCNC(=O)NCc1ccccc1)NCc1ccccc1CN1CCCCC1 ZINC000024745858 558609535 /nfs/dbraw/zinc/60/95/35/558609535.db2.gz XLIOONODZDKJMW-UHFFFAOYSA-N 0 3 408.546 3.178 50 0 HGAAHN CCS[C@H]1CC[C@@H](N(C)CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000072304994 558757063 /nfs/dbraw/zinc/75/70/63/558757063.db2.gz HHPIENICULYOPB-UXHICEINSA-N 0 3 403.592 3.031 50 0 HGAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)n1 ZINC000033326842 558766889 /nfs/dbraw/zinc/76/68/89/558766889.db2.gz PKNJAOPMLRLXNK-UHFFFAOYSA-N 0 3 416.476 3.408 50 0 HGAAHN CCN(CC)CCN(CC(=O)Nc1ccc2c(c1)CCN2C(C)=O)Cc1ccccc1 ZINC000072308257 558769889 /nfs/dbraw/zinc/76/98/89/558769889.db2.gz FTIOKEPRDXZHFR-UHFFFAOYSA-N 0 3 422.573 3.378 50 0 HGAAHN CCN(CC)CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1 ZINC000072308255 558769938 /nfs/dbraw/zinc/76/99/38/558769938.db2.gz AVEBJSIVMRYUEJ-UHFFFAOYSA-N 0 3 424.589 3.306 50 0 HGAAHN Cc1cc(C)nc(CNC(=O)C2(N(C)Cc3ccccc3)Cc3ccccc3C2)n1 ZINC000039551840 558822467 /nfs/dbraw/zinc/82/24/67/558822467.db2.gz ZRKMWFVCYGQAKI-UHFFFAOYSA-N 0 3 400.526 3.379 50 0 HGAAHN COc1ccccc1C(=O)[C@@H]1CCCN(Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000019148509 558847039 /nfs/dbraw/zinc/84/70/39/558847039.db2.gz FWVJNODULSMMHV-QGZVFWFLSA-N 0 3 405.498 3.230 50 0 HGAAHN O=C(NCCN1CCCCCC1)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000033088542 558870391 /nfs/dbraw/zinc/87/03/91/558870391.db2.gz BADNARQKQZMGAM-UHFFFAOYSA-N 0 3 422.411 3.009 50 0 HGAAHN COc1ccc(CN(C)Cc2nccs2)cc1OC[C@H](O)CN1CCCCC1 ZINC000055242838 558876921 /nfs/dbraw/zinc/87/69/21/558876921.db2.gz KSTJAIDYOBHNEE-GOSISDBHSA-N 0 3 405.564 3.009 50 0 HGAAHN O=C(NCCN1CCCCC1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000058412567 558925099 /nfs/dbraw/zinc/92/50/99/558925099.db2.gz QWPSUPOANKZLBC-MRXNPFEDSA-N 0 3 409.372 3.061 50 0 HGAAHN COc1ccc([C@H]2CC(=O)Nc3c2cnn3C2CCN(C)CC2)c(Cl)c1OC ZINC000065380832 558976811 /nfs/dbraw/zinc/97/68/11/558976811.db2.gz SUJSUMQCKHRNLV-CQSZACIVSA-N 0 3 404.898 3.295 50 0 HGAAHN O=C(CCc1n[nH]c2c1CCCC2)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000067472745 558986744 /nfs/dbraw/zinc/98/67/44/558986744.db2.gz FVYCHQLBJLWUJO-OAQYLSRUSA-N 0 3 421.589 3.034 50 0 HGAAHN NC(=O)C1(N2CCCCC2)CCN(Cc2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000067770236 558992713 /nfs/dbraw/zinc/99/27/13/558992713.db2.gz BJKCZXJBBZUSEG-UHFFFAOYSA-N 0 3 407.518 3.129 50 0 HGAAHN CSc1cccc(NC(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)c1 ZINC000023127518 559015852 /nfs/dbraw/zinc/01/58/52/559015852.db2.gz XZZDCGUAGJDBIE-UHFFFAOYSA-N 0 3 403.573 3.437 50 0 HGAAHN O=C1C[C@H](NC2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc2c(c1)CCC2 ZINC000098086531 559065216 /nfs/dbraw/zinc/06/52/16/559065216.db2.gz KPBPIEZHOVINQQ-QHCPKHFHSA-N 0 3 403.526 3.061 50 0 HGAAHN COC(=O)N1CCCC[C@@H]1C(=O)N(CCc1ccccc1)CC1CCN(C)CC1 ZINC000095507881 559083261 /nfs/dbraw/zinc/08/32/61/559083261.db2.gz BDRIUILKGJPETR-OAQYLSRUSA-N 0 3 401.551 3.020 50 0 HGAAHN O=C(c1cc[nH]n1)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000095519459 559084849 /nfs/dbraw/zinc/08/48/49/559084849.db2.gz ZOQNVKDNYBFIPM-LJQANCHMSA-N 0 3 400.498 3.082 50 0 HGAAHN O=C(c1ccn[nH]1)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000095519459 559084851 /nfs/dbraw/zinc/08/48/51/559084851.db2.gz ZOQNVKDNYBFIPM-LJQANCHMSA-N 0 3 400.498 3.082 50 0 HGAAHN COc1ccc(CN2CCc3sccc3C2)cc1OC[C@@H](O)CN1CCCC1 ZINC000095523551 559085608 /nfs/dbraw/zinc/08/56/08/559085608.db2.gz NOSDYEUDXRAJED-IBGZPJMESA-N 0 3 402.560 3.151 50 0 HGAAHN COc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000011614406 559113689 /nfs/dbraw/zinc/11/36/89/559113689.db2.gz HAQQFEPKFLSCPR-HXUWFJFHSA-N 0 3 410.445 3.438 50 0 HGAAHN C[C@H](NC(=O)CCC[S@](=O)c1ccc(Br)cc1)C(C)(C)CN(C)C ZINC000072297868 559119433 /nfs/dbraw/zinc/11/94/33/559119433.db2.gz ZVSYDZKYKYZOBF-LFPIHBKWSA-N 0 3 417.413 3.429 50 0 HGAAHN CCc1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccccc1)CCN(CC)C2 ZINC000062007126 560566295 /nfs/dbraw/zinc/56/62/95/560566295.db2.gz VJBJYPXEHQYZJZ-UHFFFAOYSA-N 0 3 416.525 3.489 50 0 HGAAHN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(CCCN(C)C)c(=N)c32)cc1 ZINC000005348763 560571116 /nfs/dbraw/zinc/57/11/16/560571116.db2.gz HYIFZCLUNNDGSY-FQEVSTJZSA-N 0 3 406.486 3.314 50 0 HGAAHN CC[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2nc(NCc3ccc(Cl)cc3)[n-]c2n1 ZINC000101795867 560801352 /nfs/dbraw/zinc/80/13/52/560801352.db2.gz DZJNVTZDDAFDKE-QGZVFWFLSA-N 0 3 400.914 3.448 50 0 HGAAHN CC[C@@H]1CCCC[N@H+]1Cc1cc(=O)n2nc(NCc3ccc(Cl)cc3)[n-]c2n1 ZINC000101795867 560801354 /nfs/dbraw/zinc/80/13/54/560801354.db2.gz DZJNVTZDDAFDKE-QGZVFWFLSA-N 0 3 400.914 3.448 50 0 HGAAHN CC(=O)NCCc1ccc(C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)cc1 ZINC000048303884 568436245 /nfs/dbraw/zinc/43/62/45/568436245.db2.gz XNBLSGIVHBWNPB-JOCHJYFZSA-N 0 3 421.541 3.083 50 0 HGAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)Nc1cccnc1N1CCCC1 ZINC000048299687 568437220 /nfs/dbraw/zinc/43/72/20/568437220.db2.gz UGYMEHRJWSUAPD-UHFFFAOYSA-N 0 3 422.577 3.011 50 0 HGAAHN CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)cc2)CC1 ZINC000048332088 568440051 /nfs/dbraw/zinc/44/00/51/568440051.db2.gz HSMPASCZKJJMEE-QFIPXVFZSA-N 0 3 413.949 3.097 50 0 HGAAHN O=C1C[C@H](c2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@@H]1[C@H]1NCCc2ccccc21 ZINC000049772130 568453397 /nfs/dbraw/zinc/45/33/97/568453397.db2.gz YACGSFQFKLDZPH-GBAJDQEWSA-N 0 3 420.900 3.302 50 0 HGAAHN COC(=O)c1cn(-c2ccc(NC(=O)c3ccc(CN4CCCCC4)cc3)cc2)nn1 ZINC000031779772 568505326 /nfs/dbraw/zinc/50/53/26/568505326.db2.gz OHVRKPQBSLVYMX-UHFFFAOYSA-N 0 3 419.485 3.292 50 0 HGAAHN O=C(CCCn1c(=O)c2cccn2c2ccc(F)cc21)NCCN1CCCCCC1 ZINC000033031760 568510502 /nfs/dbraw/zinc/51/05/02/568510502.db2.gz PEVYOUDVJOJJSM-UHFFFAOYSA-N 0 3 412.509 3.166 50 0 HGAAHN C=CC(=O)NCc1ccc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000261489597 568512982 /nfs/dbraw/zinc/51/29/82/568512982.db2.gz YPZMULKUINXMRG-URXFXBBRSA-N 0 3 421.541 3.310 50 0 HGAAHN CN1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)CCS3)CC1 ZINC000020355091 568599593 /nfs/dbraw/zinc/59/95/93/568599593.db2.gz PGZXJQIYYBDFMR-UHFFFAOYSA-N 0 3 424.614 3.166 50 0 HGAAHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000225460054 568639895 /nfs/dbraw/zinc/63/98/95/568639895.db2.gz MCCRXIXJLQKVMB-IEBWSBKVSA-N 0 3 416.566 3.336 50 0 HGAAHN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000225500122 568643744 /nfs/dbraw/zinc/64/37/44/568643744.db2.gz IMRPHRBFTKBQKT-IEBWSBKVSA-N 0 3 419.953 3.086 50 0 HGAAHN CC(C)[C@@H](NCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 ZINC000021584305 568720087 /nfs/dbraw/zinc/72/00/87/568720087.db2.gz VYPVGPUBAVECHM-IFMALSPDSA-N 0 3 406.592 3.324 50 0 HGAAHN CN1CCN(CCCNC(=O)c2cc3occc3c(Nc3ccc(F)cc3)n2)CC1 ZINC000096323678 568732626 /nfs/dbraw/zinc/73/26/26/568732626.db2.gz RKWCCHPNOIMCCH-UHFFFAOYSA-N 0 3 411.481 3.078 50 0 HGAAHN Cn1ncc2c1nc(N1CCN(C3CCCCC3)CC1)nc2NCc1ccccc1 ZINC000021929099 568761520 /nfs/dbraw/zinc/76/15/20/568761520.db2.gz GIYQLNWECYFIBG-UHFFFAOYSA-N 0 3 405.550 3.430 50 0 HGAAHN Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000012552190 568853642 /nfs/dbraw/zinc/85/36/42/568853642.db2.gz IFIWICDSUFFTDH-FQEVSTJZSA-N 0 3 421.570 3.323 50 0 HGAAHN O=C(CCOc1ccccc1)NC[C@@H]1CCC2(CCN(Cc3ccncc3)CC2)O1 ZINC000299757754 568872941 /nfs/dbraw/zinc/87/29/41/568872941.db2.gz JIAPMZBVDNYXBT-QFIPXVFZSA-N 0 3 409.530 3.181 50 0 HGAAHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 ZINC000299798426 568876531 /nfs/dbraw/zinc/87/65/31/568876531.db2.gz UEOMTZHYUVKQGN-MRXNPFEDSA-N 0 3 420.517 3.214 50 0 HGAAHN CN(C)CCSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc32)o1 ZINC000003437078 568902809 /nfs/dbraw/zinc/90/28/09/568902809.db2.gz YAINPCASDOFTJC-UHFFFAOYSA-N 0 3 407.499 3.149 50 0 HGAAHN Cc1cccc(OC[C@H](O)Cn2c3ccccc3n(CCN3CCCCC3)c2=N)c1 ZINC000001238861 568906973 /nfs/dbraw/zinc/90/69/73/568906973.db2.gz DDXGBMILSYHELN-HXUWFJFHSA-N 0 3 408.546 3.156 50 0 HGAAHN CCN(CC)[C@@H](CNC(=O)CCCNC(=O)c1ccsc1)c1cccc(OC)c1 ZINC000012728433 568920944 /nfs/dbraw/zinc/92/09/44/568920944.db2.gz WFXPTHDJAWTIEZ-FQEVSTJZSA-N 0 3 417.575 3.466 50 0 HGAAHN CCc1ccc([C@@H](CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)N(C)C)cc1 ZINC000012745546 568931144 /nfs/dbraw/zinc/93/11/44/568931144.db2.gz PILMHKQQMRAWJD-DNQXCXABSA-N 0 3 420.557 3.197 50 0 HGAAHN CCN(CC(=O)NC[C@H](c1ccco1)N(CC)CC)Cc1ccc2c(c1)OCCO2 ZINC000053094172 568935018 /nfs/dbraw/zinc/93/50/18/568935018.db2.gz HPDHDWUQSUBRQT-LJQANCHMSA-N 0 3 415.534 3.072 50 0 HGAAHN Cc1cc2cc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)CN(C4)CC5)ccc2o1 ZINC000670466922 568972952 /nfs/dbraw/zinc/97/29/52/568972952.db2.gz BSZDWPFGKHEEID-KOXWRSSLSA-N 0 3 401.510 3.039 50 0 HGAAHN O=C(CN1CCC[C@H]2CCCC[C@@H]21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008156371 568978091 /nfs/dbraw/zinc/97/80/91/568978091.db2.gz ZQZFAMGYCSJFQO-XLIONFOSSA-N 0 3 405.564 3.064 50 0 HGAAHN C[C@H]1CSc2ccc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)cc2NC1=O ZINC000015730760 568981317 /nfs/dbraw/zinc/98/13/17/568981317.db2.gz UKKZXFQQCAWCMX-HNNXBMFYSA-N 0 3 423.604 3.006 50 0 HGAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000012910644 569021541 /nfs/dbraw/zinc/02/15/41/569021541.db2.gz JSCAQWWFZMRCPY-YADHBBJMSA-N 0 3 407.514 3.371 50 0 HGAAHN O=C(NCCN1CCCCC1)[C@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000035455083 569037918 /nfs/dbraw/zinc/03/79/18/569037918.db2.gz YNSFENVVDJNGGD-IBGZPJMESA-N 0 3 411.525 3.101 50 0 HGAAHN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000239807482 569054564 /nfs/dbraw/zinc/05/45/64/569054564.db2.gz CSHCHLRAVWKDSV-RXVVDRJESA-N 0 3 402.583 3.124 50 0 HGAAHN O=C(CN1CCC[C@@H]1CN1CCC[C@H]1CO)Nc1ccc(Cl)cc1C(F)(F)F ZINC000242242319 569055020 /nfs/dbraw/zinc/05/50/20/569055020.db2.gz XTVBQGINVZTBSJ-CABCVRRESA-N 0 3 419.875 3.218 50 0 HGAAHN CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCN(CC)CC3)c(C)c2)cc1 ZINC000036397155 569170132 /nfs/dbraw/zinc/17/01/32/569170132.db2.gz XQTTURMVYOLLCY-UHFFFAOYSA-N 0 3 403.548 3.336 50 0 HGAAHN O=C(Nc1ccc2c(c1)OCCO2)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065255885 569208066 /nfs/dbraw/zinc/20/80/66/569208066.db2.gz OTKNUSGXGANJGJ-FQEVSTJZSA-N 0 3 416.481 3.256 50 0 HGAAHN COc1cccc(CNC(=O)c2ccnc(N3CCN[C@@H](c4ccccc4)C3)c2)c1 ZINC000065255976 569208094 /nfs/dbraw/zinc/20/80/94/569208094.db2.gz HHQDWRDLQRFJBU-JOCHJYFZSA-N 0 3 402.498 3.171 50 0 HGAAHN CCN1CCN(c2ccc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)cc2)CC1 ZINC000014347788 569259622 /nfs/dbraw/zinc/25/96/22/569259622.db2.gz FYEQHDBUBJAHOZ-IBGZPJMESA-N 0 3 406.530 3.358 50 0 HGAAHN CCN(CC)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21 ZINC000002118416 569284858 /nfs/dbraw/zinc/28/48/58/569284858.db2.gz SLICQNPSYDKJJL-OAQYLSRUSA-N 0 3 409.486 3.160 50 0 biogenic HGAAHN C=CC(=O)NCc1ccc(C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)cc1 ZINC000195641740 569285033 /nfs/dbraw/zinc/28/50/33/569285033.db2.gz DMMOZOSPCCFASB-NRFANRHFSA-N 0 3 419.525 3.207 50 0 HGAAHN COc1cc(C(C)=O)ccc1OCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000170653307 569295412 /nfs/dbraw/zinc/29/54/12/569295412.db2.gz WJPHAQKMPWMYMB-UWJYYQICSA-N 0 3 410.514 3.303 50 0 HGAAHN CN(C)C[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1ccccc1 ZINC000007817189 569312825 /nfs/dbraw/zinc/31/28/25/569312825.db2.gz ITSFHXQIETWVIC-QFIPXVFZSA-N 0 3 412.493 3.418 50 0 HGAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)CC4CCCC4)CC3)C2)CC1 ZINC000581820137 569321003 /nfs/dbraw/zinc/32/10/03/569321003.db2.gz UJVOSMAQRURRKD-JOCHJYFZSA-N 0 3 405.627 3.381 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cnc(O[C@H]2CCOC2)c(Cl)c1 ZINC000253408611 569366213 /nfs/dbraw/zinc/36/62/13/569366213.db2.gz YJLJKYDPMBVRMN-IBGZPJMESA-N 0 3 415.921 3.297 50 0 HGAAHN CN(CCC(=O)Nc1ccnn1C1CCCC1)Cc1ccccc1N1CCOCC1 ZINC000040025019 571140207 /nfs/dbraw/zinc/14/02/07/571140207.db2.gz MQDCMJYEYYXOQD-UHFFFAOYSA-N 0 3 411.550 3.295 50 0 HGAAHN O=c1c2c(nc(N3CCNCC3)n1CCc1ccccc1)sc1c2CCCCC1 ZINC000002236331 132250155 /nfs/dbraw/zinc/25/01/55/132250155.db2.gz LXRUGDPRECMWMJ-UHFFFAOYSA-N 0 3 408.571 3.379 50 0 HGAAHN CN(C(=O)c1ccc(N2CCN(C)CC2)cc1)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000012315198 132358334 /nfs/dbraw/zinc/35/83/34/132358334.db2.gz MBWFXURBBNPPHU-QHCPKHFHSA-N 0 3 424.564 3.314 50 0 HGAAHN CC1CCN(CCNC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC000021538885 132472595 /nfs/dbraw/zinc/47/25/95/132472595.db2.gz ZXRRQLDCTBKKTJ-UHFFFAOYSA-N 0 3 413.591 3.270 50 0 HGAAHN COCCNC(=O)[C@@H]1C[C@@H](NCc2cccc(Oc3ccccc3)c2)CN1C(C)C ZINC000032533055 523914453 /nfs/dbraw/zinc/91/44/53/523914453.db2.gz XVUYPLQPZGAEPH-OFNKIYASSA-N 0 3 411.546 3.182 50 0 HGAAHN Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000032752715 526793107 /nfs/dbraw/zinc/79/31/07/526793107.db2.gz GOXGCNUSNSVZBN-UHFFFAOYSA-N 0 3 416.481 3.483 50 0 HGAAHN CCN1CCN(C(=O)c2ccc(CN3CCN(c4ccc(C)c(C)c4)CC3)cc2)CC1 ZINC000034668096 557361366 /nfs/dbraw/zinc/36/13/66/557361366.db2.gz XKSKZQNSCXWRPW-UHFFFAOYSA-N 0 3 420.601 3.403 50 0 HGAAHN CCN1CCC[C@H]1CNC(=O)c1nc(Cc2ccccc2)n(-c2ccc(C)cc2)n1 ZINC000034911205 557476306 /nfs/dbraw/zinc/47/63/06/557476306.db2.gz RMMQUTNJAVFGGR-NRFANRHFSA-N 0 3 403.530 3.381 50 0 HGAAHN Cc1nnc(SCC(=O)N(C)[C@@H]2CCCN(CCCc3ccccc3)C2)s1 ZINC000011817106 558280372 /nfs/dbraw/zinc/28/03/72/558280372.db2.gz PLMPLYWZHZISJP-GOSISDBHSA-N 0 3 404.605 3.494 50 0 HGAAHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(F)c(F)c1 ZINC000019819065 558289066 /nfs/dbraw/zinc/28/90/66/558289066.db2.gz ODUOKNBNOKSUAT-OAHLLOKOSA-N 0 3 400.381 3.403 50 0 HGAAHN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](N(C)CCc2ccccc2)C1 ZINC000011878646 558293120 /nfs/dbraw/zinc/29/31/20/558293120.db2.gz ZYMIMCMUMXGBNB-FQEVSTJZSA-N 0 3 402.560 3.331 50 0 HGAAHN OCC[C@H]1CN(C2CCN(c3ccccc3F)CC2)CCN1Cc1cccs1 ZINC000019840778 558293958 /nfs/dbraw/zinc/29/39/58/558293958.db2.gz OWXCSGTYRWWHSB-IBGZPJMESA-N 0 3 403.567 3.425 50 0 HGAAHN C[C@@H](CN1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1)c1ccccc1 ZINC000012040871 558312801 /nfs/dbraw/zinc/31/28/01/558312801.db2.gz KKMJOBBWROTAPV-SFHVURJKSA-N 0 3 421.520 3.052 50 0 HGAAHN Cc1ccc(C(=O)N2CCC(Oc3cccc(C(=O)N(C)CCN(C)C)c3)CC2)cc1 ZINC000012075790 558319629 /nfs/dbraw/zinc/31/96/29/558319629.db2.gz RZCVFDWWMMJUDI-UHFFFAOYSA-N 0 3 423.557 3.312 50 0 HGAAHN O=C(CCC1CCN(Cc2cnn(-c3cccc(F)c3)c2)CC1)NC[C@H]1CCCO1 ZINC000012197793 558350248 /nfs/dbraw/zinc/35/02/48/558350248.db2.gz GICNOWZQSKFUPU-JOCHJYFZSA-N 0 3 414.525 3.299 50 0 HGAAHN COc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)c(C)c1C ZINC000020455596 558369245 /nfs/dbraw/zinc/36/92/45/558369245.db2.gz CUWGQUCIJGOYPV-HXUWFJFHSA-N 0 3 413.566 3.185 50 0 HGAAHN O=C(NCCN1CCCCC1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012303965 558373426 /nfs/dbraw/zinc/37/34/26/558373426.db2.gz AXBVORWIJGUKGE-UHFFFAOYSA-N 0 3 422.573 3.341 50 0 HGAAHN O=c1ccc(-c2ccccc2)nn1CCNCc1c[nH]nc1-c1ccc(F)cc1F ZINC000012314485 558378042 /nfs/dbraw/zinc/37/80/42/558378042.db2.gz SERRHOHHZPUOGH-UHFFFAOYSA-N 0 3 407.424 3.368 50 0 HGAAHN CCN1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(OC)cc2)C1=O ZINC000020503989 558381258 /nfs/dbraw/zinc/38/12/58/558381258.db2.gz PBEUJHKXZRRKLN-RMDTYCCRSA-N 0 3 405.498 3.297 50 0 HGAAHN CCOC(=O)[C@@H]1CCCN(Cc2cc3ccc(F)cc3n(Cc3ccncc3)c2=O)C1 ZINC000012452032 558416127 /nfs/dbraw/zinc/41/61/27/558416127.db2.gz SDTMPVAVISFPQK-LJQANCHMSA-N 0 3 423.488 3.359 50 0 HGAAHN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(C2CCCCC2)CC1 ZINC000020840981 558417377 /nfs/dbraw/zinc/41/73/77/558417377.db2.gz ZXIALPURIZLWPO-UHFFFAOYSA-N 0 3 412.534 3.152 50 0 HGAAHN COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccccc2SC)CC1 ZINC000012762628 558461297 /nfs/dbraw/zinc/46/12/97/558461297.db2.gz DGOAESQSKKVNJP-LJQANCHMSA-N 0 3 406.592 3.388 50 0 HGAAHN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC2CCN(CC)CC2)cc1 ZINC000012977931 558492372 /nfs/dbraw/zinc/49/23/72/558492372.db2.gz DCPNMNGPPKHQIL-UHFFFAOYSA-N 0 3 415.559 3.116 50 0 HGAAHN CCN1CCN(C[C@@H](O)COc2cccc(CNCc3ccccc3Cl)c2)CC1 ZINC000022852881 558517234 /nfs/dbraw/zinc/51/72/34/558517234.db2.gz AJZPKUVQOHCHRC-OAQYLSRUSA-N 0 3 417.981 3.007 50 0 HGAAHN COc1ccc(CN2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)cc1O ZINC000023374286 558554199 /nfs/dbraw/zinc/55/41/99/558554199.db2.gz VIPLJIXTOPZJKT-HXUWFJFHSA-N 0 3 411.546 3.196 50 0 HGAAHN CCOc1ccc(NC(=O)CC2C(=O)N(CCCOC)c3nc4ccccc4n32)cc1 ZINC000023411165 558557539 /nfs/dbraw/zinc/55/75/39/558557539.db2.gz DCTRDOPTRJWFBE-HXUWFJFHSA-N 0 3 422.485 3.388 50 0 HGAAHN Cc1nc(COc2ccccc2C(=O)NC2CCN(Cc3ccccc3)CC2)no1 ZINC000023613011 558563864 /nfs/dbraw/zinc/56/38/64/558563864.db2.gz LPGDFLPHODGVQB-UHFFFAOYSA-N 0 3 406.486 3.351 50 0 HGAAHN CCCCOC(=O)c1ccc(NC(=O)CC2C(=O)N=C3Nc4ccccc4N32)cc1 ZINC000013722615 558582693 /nfs/dbraw/zinc/58/26/93/558582693.db2.gz LNNQHXBCIAQVQY-GOSISDBHSA-N 0 3 406.442 3.169 50 0 HGAAHN Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H](NCc1cccc(F)c1)C2 ZINC000014742489 558667669 /nfs/dbraw/zinc/66/76/69/558667669.db2.gz PFQXNEYZSWOOEC-NRFANRHFSA-N 0 3 418.516 3.405 50 0 HGAAHN CCc1nn2c(nc(CN(Cc3ccc4c(c3)OCO4)C3CCCC3)cc2=O)s1 ZINC000027236721 558671255 /nfs/dbraw/zinc/67/12/55/558671255.db2.gz WVQYQJGTKWVSTE-UHFFFAOYSA-N 0 3 412.515 3.387 50 0 HGAAHN O=C(NC[C@H]1CCC2(CCN(Cc3ccncc3)CC2)O1)c1cc(F)c(F)cc1F ZINC000014884747 558677186 /nfs/dbraw/zinc/67/71/86/558677186.db2.gz NMBPZQXYYBPNBI-MRXNPFEDSA-N 0 3 419.447 3.443 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cn(Cc2ccccc2Cl)nn1 ZINC000014954556 558682018 /nfs/dbraw/zinc/68/20/18/558682018.db2.gz FVBWJBRKVQDMIY-UHFFFAOYSA-N 0 3 409.921 3.374 50 0 HGAAHN O=C(Cc1ccccc1)N1CC[C@H]2[C@H](CCCN2Cc2cccc(OCCO)c2)C1 ZINC000014977452 558689686 /nfs/dbraw/zinc/68/96/86/558689686.db2.gz NWAJWFBKFLWOJM-VWNXMTODSA-N 0 3 408.542 3.113 50 0 HGAAHN Cc1ccccc1NC(=O)c1nnc(CCCC(=O)NCCN2CCCCC2)s1 ZINC000032995358 558809796 /nfs/dbraw/zinc/80/97/96/558809796.db2.gz YNSUFIYIBREHEI-UHFFFAOYSA-N 0 3 415.563 3.024 50 0 HGAAHN C[C@@H](Cc1cnccn1)NC(=O)C1(N(C)Cc2ccccc2)Cc2ccccc2C1 ZINC000039354916 558820292 /nfs/dbraw/zinc/82/02/92/558820292.db2.gz LBLNGKJPGWDPBS-IBGZPJMESA-N 0 3 400.526 3.193 50 0 HGAAHN CCN1CCN(CCNC(=O)c2nc3ccccn3c2-c2ccc(Cl)cc2)CC1 ZINC000097939339 558825672 /nfs/dbraw/zinc/82/56/72/558825672.db2.gz LZNSTCXDVAOUJU-UHFFFAOYSA-N 0 3 411.937 3.022 50 0 HGAAHN COc1ccc(OC)c(C(F)(F)C(=O)NCc2cccc(OCCN(C)C)c2)c1 ZINC000072313180 558838343 /nfs/dbraw/zinc/83/83/43/558838343.db2.gz JGHVBGHDNGEYPT-UHFFFAOYSA-N 0 3 408.445 3.052 50 0 HGAAHN C[C@H]1CCCCN1CCNC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000033031772 558856557 /nfs/dbraw/zinc/85/65/57/558856557.db2.gz ZELCMSHAPAJNQK-KRWDZBQOSA-N 0 3 412.509 3.164 50 0 HGAAHN COc1ccc2ccc(OCc3nc(C(=O)N(C)C[C@H]4CCN(C)C4)co3)cc2c1 ZINC000067975020 558862442 /nfs/dbraw/zinc/86/24/42/558862442.db2.gz IZOVCDDBXUQNFG-INIZCTEOSA-N 0 3 409.486 3.439 50 0 HGAAHN Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000058323070 558919359 /nfs/dbraw/zinc/91/93/59/558919359.db2.gz GTBJOOPAJSKQKM-UHFFFAOYSA-N 0 3 405.502 3.260 50 0 HGAAHN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000058316745 558919385 /nfs/dbraw/zinc/91/93/85/558919385.db2.gz YIIGAGAETZOJJK-QKLQHJQFSA-N 0 3 406.546 3.030 50 0 HGAAHN CN1CCN(c2ccc(NC(=O)C3CCN(Cc4ccccc4F)CC3)cc2)CC1 ZINC000067601819 558987453 /nfs/dbraw/zinc/98/74/53/558987453.db2.gz TXVAWTRKFIVFTG-UHFFFAOYSA-N 0 3 410.537 3.428 50 0 HGAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 ZINC000067629733 558990324 /nfs/dbraw/zinc/99/03/24/558990324.db2.gz KEVBZHSZBIHVLH-UHFFFAOYSA-N 0 3 401.461 3.016 50 0 HGAAHN CC(C)OC(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000095528415 559086446 /nfs/dbraw/zinc/08/64/46/559086446.db2.gz GVLHFUKGWLVCSD-NRFANRHFSA-N 0 3 401.551 3.414 50 0 HGAAHN CCN1CCC(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)CC1 ZINC000011527060 559087629 /nfs/dbraw/zinc/08/76/29/559087629.db2.gz DVIVTJHZVYXHKU-QGZVFWFLSA-N 0 3 400.350 3.348 50 0 HGAAHN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCN(C2CC2)CC1 ZINC000011527202 559087714 /nfs/dbraw/zinc/08/77/14/559087714.db2.gz ABUYMDATXFJPFH-SFHVURJKSA-N 0 3 412.361 3.491 50 0 HGAAHN COCCN(C[C@@H]1CN(Cc2cccs2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000247808690 559119561 /nfs/dbraw/zinc/11/95/61/559119561.db2.gz BFMVLCFRMIGXQR-RXVVDRJESA-N 0 3 420.550 3.224 50 0 HGAAHN C[C@@H]1CCCCN1CCNC(=O)c1cccn2c(=O)c3c(nc12)sc1c3CCCC1 ZINC000004971769 559220917 /nfs/dbraw/zinc/22/09/17/559220917.db2.gz LGBHFEWGYZPGRO-OAHLLOKOSA-N 0 3 424.570 3.392 50 0 HGAAHN COc1ccc(CNCc2ccccc2Cl)cc1OC[C@H](O)CN1CCCC1 ZINC000011719436 559255030 /nfs/dbraw/zinc/25/50/30/559255030.db2.gz VHPCEYCVORTWAQ-LJQANCHMSA-N 0 3 404.938 3.474 50 0 HGAAHN Brc1cc(CNCc2ccc(CN3CCOCC3)cc2)cc2c1OCO2 ZINC000017318276 560708836 /nfs/dbraw/zinc/70/88/36/560708836.db2.gz MEIIRWZVECFARV-UHFFFAOYSA-N 0 3 419.319 3.300 50 0 HGAAHN O=c1c(CN2CCN(c3cccc(Cl)c3)CC2)coc([O-])c1C[NH+]1CCCCC1 ZINC000101373378 560792453 /nfs/dbraw/zinc/79/24/53/560792453.db2.gz QPYCQGZSDMBGPJ-UHFFFAOYSA-N 0 3 417.937 3.307 50 0 HGAAHN CN(C)C[C@@H](CNC(=O)Nc1ccc(N2CCCCC2)nc1)[C@@H](O)c1ccccc1 ZINC000048278424 568435800 /nfs/dbraw/zinc/43/58/00/568435800.db2.gz CMJOFTRJPPJZHU-KNQAVFIVSA-N 0 3 411.550 3.105 50 0 HGAAHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1cccc2nsnc21 ZINC000048325690 568438650 /nfs/dbraw/zinc/43/86/50/568438650.db2.gz CFPOQWZOTMWHIK-UHFFFAOYSA-N 0 3 410.590 3.286 50 0 HGAAHN CNC(=O)COc1ccc(CNCCOc2cccc(C(F)(F)F)c2)cc1OC ZINC000048822698 568443494 /nfs/dbraw/zinc/44/34/94/568443494.db2.gz IWFDDSXGPCFOFY-UHFFFAOYSA-N 0 3 412.408 3.007 50 0 HGAAHN CN1CCN(CCCNC(=O)CCCn2nc(-c3ccccc3)c3ccccc32)CC1 ZINC000020355694 568600054 /nfs/dbraw/zinc/60/00/54/568600054.db2.gz KJDXCXLDTQXQSX-UHFFFAOYSA-N 0 3 419.573 3.237 50 0 HGAAHN COC(=O)C1CCN(CCCNC(=O)[C@H](C)c2ccc(Br)s2)CC1 ZINC000095403453 568605780 /nfs/dbraw/zinc/60/57/80/568605780.db2.gz GVZFGRRKMBNIFS-GFCCVEGCSA-N 0 3 417.369 3.005 50 0 HGAAHN Cc1nn([C@H](C)C(=O)NCCN2CCCC[C@H]2C)c(=O)c2c3ccccc3sc21 ZINC000020466985 568610257 /nfs/dbraw/zinc/61/02/57/568610257.db2.gz PAAARZPLPHHPHR-GDBMZVCRSA-N 0 3 412.559 3.471 50 0 HGAAHN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000225500159 568643649 /nfs/dbraw/zinc/64/36/49/568643649.db2.gz IMRPHRBFTKBQKT-MJGOQNOKSA-N 0 3 419.953 3.086 50 0 HGAAHN CN(C)CCn1ncc(C(=O)Nc2nc3cc(F)ccc3n2C)c1-c1ccccc1 ZINC000225706811 568666244 /nfs/dbraw/zinc/66/62/44/568666244.db2.gz YELHDSKXGXLCFF-UHFFFAOYSA-N 0 3 406.465 3.390 50 0 HGAAHN COc1cc(CN(C)CC(C)(CO)CO)ccc1OCCOc1ccccc1Cl ZINC000095982904 568675541 /nfs/dbraw/zinc/67/55/41/568675541.db2.gz VNYUDMJHHJVLJD-UHFFFAOYSA-N 0 3 423.937 3.229 50 0 HGAAHN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000229637924 568714857 /nfs/dbraw/zinc/71/48/57/568714857.db2.gz YIIGAGAETZOJJK-UWVAXJGDSA-N 0 3 406.546 3.030 50 0 HGAAHN CCc1ccc(N2CC[C@@H](C(=O)NCCCN3CCc4ccccc4C3)C2=O)cc1 ZINC000021642752 568727807 /nfs/dbraw/zinc/72/78/07/568727807.db2.gz SOQVPJDHXIWPDL-QHCPKHFHSA-N 0 3 405.542 3.167 50 0 HGAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2ccc(OC)c(F)c2)CC1 ZINC000012459839 568756553 /nfs/dbraw/zinc/75/65/53/568756553.db2.gz MKPZLRODPJCRMM-IBGZPJMESA-N 0 3 419.541 3.067 50 0 HGAAHN CC1CCN([C@H](CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)c2cccs2)CC1 ZINC000029754323 568828836 /nfs/dbraw/zinc/82/88/36/568828836.db2.gz FZIWYLRRDCLRKB-RTBURBONSA-N 0 3 413.591 3.344 50 0 HGAAHN Cc1cccc(-n2c(CC(=O)NCCN3CCCC[C@H]3C)c3[nH]cccc-3c2=O)c1 ZINC000230114266 568847370 /nfs/dbraw/zinc/84/73/70/568847370.db2.gz FQVWUWPKZYEKMO-NQIIRXRSSA-N 0 3 406.530 3.472 50 0 HGAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000003043737 568848125 /nfs/dbraw/zinc/84/81/25/568848125.db2.gz ZCXSKZVVSVSTFP-KRWDZBQOSA-N 0 3 408.527 3.262 50 0 HGAAHN Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000012553740 568854718 /nfs/dbraw/zinc/85/47/18/568854718.db2.gz XQNKNNMZVOOHRJ-FQEVSTJZSA-N 0 3 421.570 3.496 50 0 HGAAHN CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CCN(Cc2ccsc2)CC3)CC1 ZINC000299768767 568873890 /nfs/dbraw/zinc/87/38/90/568873890.db2.gz QCEWDKWTUYEWSX-SFHVURJKSA-N 0 3 405.564 3.087 50 0 HGAAHN CN(C)C(=O)N1CCC(C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)CC1 ZINC000670440453 568892439 /nfs/dbraw/zinc/89/24/39/568892439.db2.gz MPNGRIIHNZJBJB-NRFANRHFSA-N 0 3 400.567 3.114 50 0 HGAAHN Cc1cccc(OC[C@@H](O)Cn2c3ccccc3n(CCN3CCCCC3)c2=N)c1 ZINC000001238862 568907054 /nfs/dbraw/zinc/90/70/54/568907054.db2.gz DDXGBMILSYHELN-FQEVSTJZSA-N 0 3 408.546 3.156 50 0 HGAAHN CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000031286536 568921994 /nfs/dbraw/zinc/92/19/94/568921994.db2.gz YDXQXWUUYDVEKM-UHFFFAOYSA-N 0 3 405.520 3.031 50 0 HGAAHN 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 ZINC000004028672 568934114 /nfs/dbraw/zinc/93/41/14/568934114.db2.gz SYTZVGPWDLPTPO-NYMVIXKVSA-N 0 3 413.558 3.325 50 0 biogenic HGAAHN Cn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCN1CCCCCC1 ZINC000015681700 568968181 /nfs/dbraw/zinc/96/81/81/568968181.db2.gz FREQMCXEAJXYIG-UHFFFAOYSA-N 0 3 400.498 3.050 50 0 HGAAHN COc1ccc(CN2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@H]2CCO)c(C)c1C ZINC000106740157 569009209 /nfs/dbraw/zinc/00/92/09/569009209.db2.gz WLKIKMBLCSUMDZ-HSZRJFAPSA-N 0 3 414.594 3.302 50 0 HGAAHN O=C(NCCN1CCCCC1)[C@@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000035455086 569037848 /nfs/dbraw/zinc/03/78/48/569037848.db2.gz YNSFENVVDJNGGD-LJQANCHMSA-N 0 3 411.525 3.101 50 0 HGAAHN CC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)c(C)c1 ZINC000023127728 569047070 /nfs/dbraw/zinc/04/70/70/569047070.db2.gz PMIQCBGQVXUZGB-UHFFFAOYSA-N 0 3 421.588 3.205 50 0 HGAAHN COc1ccc([C@@H](CNC(=O)CNC(=O)c2ccccc2Cl)N2CCCC2)cc1 ZINC000013009099 569049885 /nfs/dbraw/zinc/04/98/85/569049885.db2.gz YCDJBSSALFSVAT-HXUWFJFHSA-N 0 3 415.921 3.032 50 0 HGAAHN CCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000462257831 569052864 /nfs/dbraw/zinc/05/28/64/569052864.db2.gz JPYYPXAXVLDHOX-OXJNMPFZSA-N 0 3 401.532 3.122 50 0 HGAAHN Cc1onc(-c2ccncc2)c1C(=O)NCCCN1CCN(C2CCCCC2)CC1 ZINC000064472291 569063544 /nfs/dbraw/zinc/06/35/44/569063544.db2.gz QJGDAOUYQWPZAK-UHFFFAOYSA-N 0 3 411.550 3.115 50 0 HGAAHN Cc1noc(C)c1CN1CCc2c(C(=O)N(C)C[C@@H]3CCCCN3C)csc2C1 ZINC000426432064 569072959 /nfs/dbraw/zinc/07/29/59/569072959.db2.gz VFCBDXGLZQGZBX-KRWDZBQOSA-N 0 3 416.591 3.468 50 0 HGAAHN CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4c[nH]c(=O)[n-]c4=O)C3)C2)cc1 ZINC000426517689 569073242 /nfs/dbraw/zinc/07/32/42/569073242.db2.gz XAUPJWVLLLAEQO-QHCPKHFHSA-N 0 3 410.518 3.140 50 0 HGAAHN CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4c[nH]c(=O)[n-]c4=O)C3)C2)cc1 ZINC000426517689 569073243 /nfs/dbraw/zinc/07/32/43/569073243.db2.gz XAUPJWVLLLAEQO-QHCPKHFHSA-N 0 3 410.518 3.140 50 0 HGAAHN CCc1cccc(-n2nnc(C(=O)NCCN3CCCCC3)c2-c2ccncc2)c1 ZINC000065083352 569172892 /nfs/dbraw/zinc/17/28/92/569172892.db2.gz MZMRDJDSRWUVHZ-UHFFFAOYSA-N 0 3 404.518 3.107 50 0 HGAAHN CN(C)[C@@H](CNC(=O)CSc1nnc(-c2ccc(F)cc2)n1C)c1ccccc1 ZINC000006913791 569179853 /nfs/dbraw/zinc/17/98/53/569179853.db2.gz FTEKEPWAIVCDQM-SFHVURJKSA-N 0 3 413.522 3.132 50 0 HGAAHN CCCNc1cc(N2CCC(CCC(=O)NCCN3CCCCCC3)CC2)ncn1 ZINC000065274212 569214914 /nfs/dbraw/zinc/21/49/14/569214914.db2.gz LBBXZWZBYYAJBM-UHFFFAOYSA-N 0 3 416.614 3.287 50 0 HGAAHN CN(C)C[C@H](CNC(=O)Nc1cc2c(cc1Cl)OCCO2)[C@H](O)c1ccccc1 ZINC000065479319 569231662 /nfs/dbraw/zinc/23/16/62/569231662.db2.gz BPDDWYHHXDCHAE-MGPUTAFESA-N 0 3 419.909 3.144 50 0 HGAAHN FC(F)(F)c1ccc(N2CCN(C3CCN(C[C@@H]4CCCCO4)CC3)CC2)nc1 ZINC000239611809 569235712 /nfs/dbraw/zinc/23/57/12/569235712.db2.gz FEUBOZMNKVHPDJ-IBGZPJMESA-N 0 3 412.500 3.256 50 0 HGAAHN FC(F)(F)c1ccc(N2CCN(C3CCN(C[C@H]4CCCCO4)CC3)CC2)nc1 ZINC000239611812 569235718 /nfs/dbraw/zinc/23/57/18/569235718.db2.gz FEUBOZMNKVHPDJ-LJQANCHMSA-N 0 3 412.500 3.256 50 0 HGAAHN C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000252570426 569294346 /nfs/dbraw/zinc/29/43/46/569294346.db2.gz WSQBRNLMPJFREI-SESVDKBCSA-N 0 3 412.534 3.243 50 0 HGAAHN COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1OC ZINC000002419917 569397712 /nfs/dbraw/zinc/39/77/12/569397712.db2.gz HSTJUTBDQNQWLE-HXUWFJFHSA-N 0 3 422.481 3.307 50 0 HGAAHN COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1OC ZINC000002439943 569400226 /nfs/dbraw/zinc/40/02/26/569400226.db2.gz QMTZAOHVZIBENM-OAQYLSRUSA-N 0 3 422.481 3.307 50 0 HGAAHN O=C(COc1ccc(N2CCCC2=O)cc1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000040012828 571138383 /nfs/dbraw/zinc/13/83/83/571138383.db2.gz XXOKUQFLRVDKGJ-JOCHJYFZSA-N 0 3 407.514 3.146 50 0 HGAAHN C[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 ZINC000245330415 571225477 /nfs/dbraw/zinc/22/54/77/571225477.db2.gz YJMIRHVDCFQELY-LAUBAEHRSA-N 0 3 414.571 3.346 50 0 HGAAHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCCn2nnc(-c3ccccc3)n2)C1 ZINC000069929035 571250144 /nfs/dbraw/zinc/25/01/44/571250144.db2.gz QFUNEIXGZALZOI-RXVVDRJESA-N 0 3 404.518 3.072 50 0 HGAAHN COc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N(C)C)c(OC)c1 ZINC000010333581 571300726 /nfs/dbraw/zinc/30/07/26/571300726.db2.gz SLFYQQYHFCJSMZ-OAQYLSRUSA-N 0 3 421.497 3.215 50 0 HGAAHN C[C@@H]1CN(C(=O)CCC(=O)NCCCN(C)Cc2ccccc2)c2ccccc2O1 ZINC000006798317 132317249 /nfs/dbraw/zinc/31/72/49/132317249.db2.gz BLVYWJDVOUPWFM-LJQANCHMSA-N 0 3 409.530 3.219 50 0 HGAAHN O=C(c1ccc(N2CCC(NCc3ccc(F)cc3F)CC2)cc1)N1CCOCC1 ZINC000012184057 132356140 /nfs/dbraw/zinc/35/61/40/132356140.db2.gz FEEVUVSVBZHNQA-UHFFFAOYSA-N 0 3 415.484 3.196 50 0 HGAAHN CC(C)(C)OC(=O)N1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000032747793 518799084 /nfs/dbraw/zinc/79/90/84/518799084.db2.gz WATUGZFXZFHNMM-UHFFFAOYSA-N 0 3 401.551 3.414 50 0 HGAAHN CCN(CC)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccsc1 ZINC000031984574 520864300 /nfs/dbraw/zinc/86/43/00/520864300.db2.gz VBHHOOQOVGGJLV-SJLPKXTDSA-N 0 3 403.548 3.393 50 0 HGAAHN CCN1CCN(CCCNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000032915225 521680739 /nfs/dbraw/zinc/68/07/39/521680739.db2.gz FWTTXOFXAZBCGQ-UHFFFAOYSA-N 0 3 409.534 3.088 50 0 HGAAHN CN(C)[C@H](CNC(=O)c1ccccc1I)Cc1ccccc1 ZINC000042671967 522084795 /nfs/dbraw/zinc/08/47/95/522084795.db2.gz XATXJZVIYHNBSR-HNNXBMFYSA-N 0 3 408.283 3.194 50 0 HGAAHN CC[C@@H](CNC(=O)COc1ccc(C(C)=O)cc1OC)N1CCc2ccccc2C1 ZINC000032446209 522530036 /nfs/dbraw/zinc/53/00/36/522530036.db2.gz KOYDGEPONYNAKK-NRFANRHFSA-N 0 3 410.514 3.230 50 0 HGAAHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1cccc(F)c1 ZINC000019819150 522869365 /nfs/dbraw/zinc/86/93/65/522869365.db2.gz RJAWTDDMPQSPPT-KRWDZBQOSA-N 0 3 400.381 3.403 50 0 HGAAHN CN1CCC2(CC1)C[C@@H](NS(=O)(=O)c1ccc(F)cc1F)c1ccccc1O2 ZINC000031583884 523786236 /nfs/dbraw/zinc/78/62/36/523786236.db2.gz CUHSGSVEGZSJIS-QGZVFWFLSA-N 0 3 408.470 3.231 50 0 HGAAHN COc1ccc([C@@H](CNC(=O)c2ccccc2I)N(C)C)cc1 ZINC000032960896 525187343 /nfs/dbraw/zinc/18/73/43/525187343.db2.gz JIOSFFWLMJHMTF-QGZVFWFLSA-N 0 3 424.282 3.333 50 0 HGAAHN COc1ccc([C@H](CNC(=O)c2ccccc2I)N(C)C)cc1 ZINC000032960897 525359265 /nfs/dbraw/zinc/35/92/65/525359265.db2.gz JIOSFFWLMJHMTF-KRWDZBQOSA-N 0 3 424.282 3.333 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000032074645 527531702 /nfs/dbraw/zinc/53/17/02/527531702.db2.gz ZQIMOHWIJKBCEN-SFHVURJKSA-N 0 3 411.933 3.474 50 0 HGAAHN CCN1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2OC)C1=O ZINC000002198097 535548708 /nfs/dbraw/zinc/54/87/08/535548708.db2.gz QGBBVLJFUAZDFP-PBEQFFAXSA-N 0 3 405.498 3.297 50 0 HGAAHN CCN1CCC[C@H]1CNC(=O)CN1C(=O)/C(=C\c2ccc(F)cc2)Oc2ccccc21 ZINC000004932648 535599951 /nfs/dbraw/zinc/59/99/51/535599951.db2.gz ADIQCXUDMWODBV-KWJZBXMYSA-N 0 3 423.488 3.193 50 0 HGAAHN COc1ccccc1[C@@H]1[C@@H](C(=O)NCCN(C)C)CCC(=O)N1c1ccc(C)cc1 ZINC000007987383 537105362 /nfs/dbraw/zinc/10/53/62/537105362.db2.gz NNDOECCHAVBTMV-NZQKXSOJSA-N 0 3 409.530 3.166 50 0 HGAAHN COCCN(C[C@H]1CN(Cc2cccs2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000034740551 557444104 /nfs/dbraw/zinc/44/41/04/557444104.db2.gz BFMVLCFRMIGXQR-WIYYLYMNSA-N 0 3 420.550 3.224 50 0 HGAAHN CCN1CCC[C@@H]1CNC(=O)c1nc(Cc2ccccc2)n(-c2ccc(C)cc2)n1 ZINC000034911203 557476129 /nfs/dbraw/zinc/47/61/29/557476129.db2.gz RMMQUTNJAVFGGR-OAQYLSRUSA-N 0 3 403.530 3.381 50 0 HGAAHN CCCC(=O)N(CCN(C)C)Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000034921472 557483838 /nfs/dbraw/zinc/48/38/38/557483838.db2.gz ZDAYOZRFMJYEKR-UHFFFAOYSA-N 0 3 422.522 3.284 50 0 HGAAHN CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCCN1CCCCC1 ZINC000004918156 557614288 /nfs/dbraw/zinc/61/42/88/557614288.db2.gz DBKIVAXXPXBDSK-KRWDZBQOSA-N 0 3 416.591 3.279 50 0 HGAAHN CCN1CCC[C@H]1CNc1nc2ccc(C(=O)c3ccccc3)cc2n2cnnc12 ZINC000006901589 557729446 /nfs/dbraw/zinc/72/94/46/557729446.db2.gz RAIQMLXIGJSBSR-SFHVURJKSA-N 0 3 400.486 3.405 50 0 HGAAHN O=C(c1cn(Cc2cccc3ccccc32)nn1)N1CCC(N2CCSCC2)CC1 ZINC000011840407 558286606 /nfs/dbraw/zinc/28/66/06/558286606.db2.gz OOCGXDXJPYASKO-UHFFFAOYSA-N 0 3 421.570 3.133 50 0 HGAAHN Cc1cc(=O)c(C(=O)N2CCC[C@@H](C)C2)c(CCc2ccccc2)n1CCN(C)C ZINC000011881294 558295091 /nfs/dbraw/zinc/29/50/91/558295091.db2.gz NTUQTLPJWBJFSC-LJQANCHMSA-N 0 3 409.574 3.376 50 0 HGAAHN COc1ccc(C(=O)NC2CC2)c(OC2CCN(C3CSCCSC3)CC2)c1 ZINC000011934816 558298876 /nfs/dbraw/zinc/29/88/76/558298876.db2.gz ZCMYQVWEXVMSDU-UHFFFAOYSA-N 0 3 422.616 3.279 50 0 HGAAHN CCOc1ccccc1NC(=O)CC1C(=O)N(CCCOC)c2nc3ccccc3n21 ZINC000020103418 558332541 /nfs/dbraw/zinc/33/25/41/558332541.db2.gz KPQFVVFRFAKCBK-LJQANCHMSA-N 0 3 422.485 3.388 50 0 HGAAHN CCN1CCN(CCOCCOc2c(C)cc(Br)cc2Cl)CC1 ZINC000020406247 558360217 /nfs/dbraw/zinc/36/02/17/558360217.db2.gz JYRFYQLLYDBJJH-UHFFFAOYSA-N 0 3 405.764 3.444 50 0 HGAAHN Cc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000020454109 558368056 /nfs/dbraw/zinc/36/80/56/558368056.db2.gz MICGVKJMPMJJPE-FQEVSTJZSA-N 0 3 417.557 3.455 50 0 HGAAHN CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)CN(C)Cc3cccnc3)C2)cc1 ZINC000012298762 558368746 /nfs/dbraw/zinc/36/87/46/558368746.db2.gz QYLDHOQFEWOSEW-XMMPIXPASA-N 0 3 408.590 3.493 50 0 HGAAHN CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CNCCCn1ccnc1 ZINC000012432961 558407133 /nfs/dbraw/zinc/40/71/33/558407133.db2.gz VIQHZTMTYRFZKM-UHFFFAOYSA-N 0 3 422.558 3.087 50 0 HGAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cscn1 ZINC000012441699 558412332 /nfs/dbraw/zinc/41/23/32/558412332.db2.gz DHBAUQQQEMQLKY-QGZVFWFLSA-N 0 3 404.555 3.198 50 0 HGAAHN CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)cc1 ZINC000020783683 558413211 /nfs/dbraw/zinc/41/32/11/558413211.db2.gz PGEAUSGMELZTFN-UHFFFAOYSA-N 0 3 417.557 3.465 50 0 HGAAHN COc1ccc(OC)c(N2C(=O)[C@@H]3C[C@H]2CN3C2CCN(Cc3ccccc3)CC2)c1 ZINC000012513282 558424341 /nfs/dbraw/zinc/42/43/41/558424341.db2.gz VQQOVRGZEUZGDH-REWPJTCUSA-N 0 3 421.541 3.158 50 0 HGAAHN COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)CCCc2cccs2)CC1 ZINC000012573611 558430044 /nfs/dbraw/zinc/43/00/44/558430044.db2.gz ZTFKWGDZHMNZTK-HXUWFJFHSA-N 0 3 408.608 3.437 50 0 HGAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ccc(C)s2)CC1 ZINC000012586609 558434128 /nfs/dbraw/zinc/43/41/28/558434128.db2.gz VYMCXSXHRXHQSJ-UHFFFAOYSA-N 0 3 418.559 3.485 50 0 HGAAHN Cc1c(CNC(=O)C2(N(C)CCc3ccccc3)Cc3ccccc3C2)cnn1C ZINC000012701215 558447698 /nfs/dbraw/zinc/44/76/98/558447698.db2.gz OUPOEURPUOTBIB-UHFFFAOYSA-N 0 3 402.542 3.057 50 0 HGAAHN Cc1ccccc1CN1CCc2nnc([C@@H](NC(=O)c3ccoc3)C(C)C)n2CC1 ZINC000023129452 558536967 /nfs/dbraw/zinc/53/69/67/558536967.db2.gz VYVORLDWTSMXCF-NRFANRHFSA-N 0 3 407.518 3.365 50 0 HGAAHN COc1ccc(CN2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@@H]2CCO)c(C)c1C ZINC000023373519 558553593 /nfs/dbraw/zinc/55/35/93/558553593.db2.gz WLKIKMBLCSUMDZ-QHCPKHFHSA-N 0 3 414.594 3.302 50 0 HGAAHN O=C1CC[C@H](N2CCN(Cc3cccs3)CC2)CCN1CCOc1ccccc1 ZINC000023373946 558554145 /nfs/dbraw/zinc/55/41/45/558554145.db2.gz WDYVXOZPXHQMLE-FQEVSTJZSA-N 0 3 413.587 3.326 50 0 HGAAHN CCCCn1c(CN2CC[C@@H](N(CC)CC)C2)cnc1S(=O)(=O)CC1CCC1 ZINC000023374593 558554185 /nfs/dbraw/zinc/55/41/85/558554185.db2.gz QHPKQQRYIMQRJY-LJQANCHMSA-N 0 3 410.628 3.173 50 0 HGAAHN COc1cccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)c1 ZINC000023382142 558555484 /nfs/dbraw/zinc/55/54/84/558555484.db2.gz OUCCBZZXZNBTKX-FXAWDEMLSA-N 0 3 420.469 3.140 50 0 HGAAHN Cc1ccccc1NC(=O)CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382172 558555510 /nfs/dbraw/zinc/55/55/10/558555510.db2.gz MQOUATBBLQJXPC-UZLBHIALSA-N 0 3 404.470 3.440 50 0 HGAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(C(C)=O)cc2)n2c3ccccc3nc21 ZINC000023411173 558557488 /nfs/dbraw/zinc/55/74/88/558557488.db2.gz GCICOTBHNCCQHZ-FQEVSTJZSA-N 0 3 420.469 3.192 50 0 HGAAHN COC(=O)c1cn(CC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c2ccccc12 ZINC000023739807 558572789 /nfs/dbraw/zinc/57/27/89/558572789.db2.gz IAVGUXBJHQTTKX-QFIPXVFZSA-N 0 3 405.498 3.381 50 0 HGAAHN CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(C/C=C/c1ccccc1)CC2 ZINC000014532616 558656686 /nfs/dbraw/zinc/65/66/86/558656686.db2.gz QNBOYDKRSFWPRL-WEVVVXLNSA-N 0 3 418.541 3.456 50 0 HGAAHN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](NCc1ccc(F)cc1F)CC2 ZINC000014541698 558660320 /nfs/dbraw/zinc/66/03/20/558660320.db2.gz AQORBUAPRGGQBY-MRXNPFEDSA-N 0 3 414.456 3.211 50 0 HGAAHN CC1CCN([C@@H](CNC(=O)CCn2cnc3ccccc3c2=O)c2cccs2)CC1 ZINC000027574896 558675590 /nfs/dbraw/zinc/67/55/90/558675590.db2.gz WKFUDRNZGGTMMH-FQEVSTJZSA-N 0 3 424.570 3.438 50 0 HGAAHN Cc1ccc(Cc2cnc(NC(=O)NC[C@H](C)CN3CCN(C)CC3)s2)cc1 ZINC000072274560 558699805 /nfs/dbraw/zinc/69/98/05/558699805.db2.gz DQVNGNMPENKOCZ-KRWDZBQOSA-N 0 3 401.580 3.047 50 0 HGAAHN Cc1ncc(C(=O)NC2CCN(CCOc3ccc(Br)cc3)CC2)s1 ZINC000072288921 558720983 /nfs/dbraw/zinc/72/09/83/558720983.db2.gz YRCHXXCZCAFCAH-UHFFFAOYSA-N 0 3 424.364 3.487 50 0 HGAAHN O=C(NCCCN1CCc2ccccc2C1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000029838250 558722063 /nfs/dbraw/zinc/72/20/63/558722063.db2.gz MRHBRWOVQMYAAB-IBGZPJMESA-N 0 3 411.933 3.258 50 0 HGAAHN COc1ccccc1/C=C1\Oc2ccc(C(=O)NCCN3CCCCC3)cc2NC1=O ZINC000032983697 558805328 /nfs/dbraw/zinc/80/53/28/558805328.db2.gz XDFDDOFCKSNVGZ-JWGURIENSA-N 0 3 421.497 3.283 50 0 HGAAHN Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)[C@]21N=C(Nc2ccccc2)NC(=N)N1 ZINC000019326864 558868029 /nfs/dbraw/zinc/86/80/29/558868029.db2.gz GJBCCQHRICACIC-LFVRLGFBSA-N 0 3 402.502 3.166 50 0 HGAAHN CCOC(=O)N1CCC(N(CCN(C)C)C(=S)Nc2ccc(OCC)cc2)CC1 ZINC000004669446 558877166 /nfs/dbraw/zinc/87/71/66/558877166.db2.gz KPIDDAUZULAOES-UHFFFAOYSA-N 0 3 422.595 3.267 50 0 HGAAHN CN1CCCN(c2ccc(CNC(=O)c3csc(Cc4ccccc4)n3)cn2)CC1 ZINC000058101213 558898901 /nfs/dbraw/zinc/89/89/01/558898901.db2.gz WVMASOCVFXUYHL-UHFFFAOYSA-N 0 3 421.570 3.201 50 0 HGAAHN O=C(CCc1ccccc1)NC1CCN(CCCn2c(=O)oc3ccccc32)CC1 ZINC000058178525 558909869 /nfs/dbraw/zinc/90/98/69/558909869.db2.gz JQGBCLMMXPIRSH-UHFFFAOYSA-N 0 3 407.514 3.198 50 0 HGAAHN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000058316740 558919457 /nfs/dbraw/zinc/91/94/57/558919457.db2.gz YIIGAGAETZOJJK-ZWOKBUDYSA-N 0 3 406.546 3.030 50 0 HGAAHN O=C(NCc1nc(-c2cccs2)no1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000067613667 558989386 /nfs/dbraw/zinc/98/93/86/558989386.db2.gz PQRHYOBXJXGEHD-UHFFFAOYSA-N 0 3 400.479 3.466 50 0 HGAAHN CCN1CCC[C@H]1CNC(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 ZINC000067883933 558994467 /nfs/dbraw/zinc/99/44/67/558994467.db2.gz OUEXXMSONYIILR-NRFANRHFSA-N 0 3 410.562 3.343 50 0 HGAAHN Cc1cc(C(=O)N(CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)on1 ZINC000095507475 559083289 /nfs/dbraw/zinc/08/32/89/559083289.db2.gz IYMWGVUPDXMJEZ-SFHVURJKSA-N 0 3 402.514 3.038 50 0 HGAAHN COc1ccc([C@@H]2CN(C(=O)c3cnn4ccccc34)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095524340 559085808 /nfs/dbraw/zinc/08/58/08/559085808.db2.gz CSBKFXDQAMXSOV-MDNUFGMLSA-N 0 3 402.498 3.045 50 0 HGAAHN CC(C)OC(=O)N1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000095528414 559086510 /nfs/dbraw/zinc/08/65/10/559086510.db2.gz GVLHFUKGWLVCSD-OAQYLSRUSA-N 0 3 401.551 3.414 50 0 HGAAHN CN(CCCNC(=O)c1cc2c(c3ccccc3n(C)c2=O)n1C)Cc1ccccc1 ZINC000004938751 559211635 /nfs/dbraw/zinc/21/16/35/559211635.db2.gz OHOYRZUOLABBDS-UHFFFAOYSA-N 0 3 416.525 3.282 50 0 HGAAHN COc1ccc(CNCc2ccccc2Cl)cc1OC[C@@H](O)CN1CCCC1 ZINC000011719446 559255010 /nfs/dbraw/zinc/25/50/10/559255010.db2.gz VHPCEYCVORTWAQ-IBGZPJMESA-N 0 3 404.938 3.474 50 0 HGAAHN Cc1noc(C)c1CN1CCc2c(C(=O)N3CCC[C@H](N(C)C)C3)csc2C1 ZINC000426506568 559274458 /nfs/dbraw/zinc/27/44/58/559274458.db2.gz GTNWLTUFHHXCOO-INIZCTEOSA-N 0 3 402.564 3.077 50 0 HGAAHN CN(C)CCNC(=O)c1cc(Cl)cn(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000005207901 560538739 /nfs/dbraw/zinc/53/87/39/560538739.db2.gz PPHWTCBHCKVMSC-UHFFFAOYSA-N 0 3 402.709 3.148 50 0 HGAAHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCCn2nnc(-c3ccccc3)n2)C1 ZINC000106759075 560893714 /nfs/dbraw/zinc/89/37/14/560893714.db2.gz QFUNEIXGZALZOI-WIYYLYMNSA-N 0 3 404.518 3.072 50 0 HGAAHN CC[C@H]1CCCCN1C(=O)C(C)S(=O)(=O)Cc1cc2c(c(Cl)c1)OCO2 ZINC000048253314 568434433 /nfs/dbraw/zinc/43/44/33/568434433.db2.gz OTTSWEABXVPZGT-JSGCOSHPSA-N 0 3 401.912 3.163 50 0 HGAAHN CCN1CCN(Cc2ccc(CNC(=O)CCCc3nc4ccccc4[nH]3)cc2)CC1 ZINC000048324845 568438471 /nfs/dbraw/zinc/43/84/71/568438471.db2.gz XCTFYXCSPKGOOG-UHFFFAOYSA-N 0 3 419.573 3.340 50 0 HGAAHN Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc1C ZINC000049400761 568447673 /nfs/dbraw/zinc/44/76/73/568447673.db2.gz QYTBBSYZRUMMQF-UHFFFAOYSA-N 0 3 416.525 3.366 50 0 HGAAHN O=C(c1cccn1-c1nnc(N2CCCC2)s1)N1CCN(C2CCCCC2)CC1 ZINC000020980757 568654391 /nfs/dbraw/zinc/65/43/91/568654391.db2.gz JMQBYPXNEITLIA-UHFFFAOYSA-N 0 3 414.579 3.020 50 0 HGAAHN CCOc1ccc([C@H](c2c(O)cc(C)n(CCOC)c2=O)N2CCCCC2)cc1 ZINC000021097993 568665441 /nfs/dbraw/zinc/66/54/41/568665441.db2.gz FKDQWQWWHDXZCN-JOCHJYFZSA-N 0 3 400.519 3.483 50 0 HGAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)c1 ZINC000229955492 568716026 /nfs/dbraw/zinc/71/60/26/568716026.db2.gz BQIMYQISQAQYDN-BHDDXSALSA-N 0 3 416.433 3.452 50 0 HGAAHN C/C=C/c1ccc(OC[C@H](O)CNC[C@@H](c2ccc(OC)cc2)N(C)C)c(OC)c1 ZINC000096311026 568724701 /nfs/dbraw/zinc/72/47/01/568724701.db2.gz YSQGJSKNXKXPMX-GYBAZJMSSA-N 0 3 414.546 3.369 50 0 HGAAHN Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000096357174 568738623 /nfs/dbraw/zinc/73/86/23/568738623.db2.gz NLXJWYGLPIOLKC-UHFFFAOYSA-N 0 3 416.591 3.437 50 0 HGAAHN O=c1c(CNCCn2cncn2)cc2cc3c(cc2n1CC1CCCCC1)CCC3 ZINC000299765582 568873827 /nfs/dbraw/zinc/87/38/27/568873827.db2.gz IINUROIHPKBJPG-UHFFFAOYSA-N 0 3 405.546 3.452 50 0 HGAAHN Cn1cnnc1Sc1ccc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)o1 ZINC000670448172 568918826 /nfs/dbraw/zinc/91/88/26/568918826.db2.gz HEQRKHWKVYNUCH-LJQANCHMSA-N 0 3 409.559 3.234 50 0 HGAAHN COCC1CCN(Cc2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)CC1 ZINC000012750282 568940136 /nfs/dbraw/zinc/94/01/36/568940136.db2.gz HKUDDLQYVXJWRU-VWLOTQADSA-N 0 3 424.585 3.343 50 0 HGAAHN Cn1cnnc1Sc1ccc(CN2CCCN(C3Cc4ccccc4C3)CC2)o1 ZINC000670467143 568972968 /nfs/dbraw/zinc/97/29/68/568972968.db2.gz FRBSNXDOEIRPGA-UHFFFAOYSA-N 0 3 409.559 3.234 50 0 HGAAHN COc1ccc(CN2CCN(Cc3cc(C(C)C)[nH]n3)C[C@H]2CCO)c(C)c1C ZINC000104521741 569008863 /nfs/dbraw/zinc/00/88/63/569008863.db2.gz JEETWZPEWNJZQD-OAQYLSRUSA-N 0 3 400.567 3.227 50 0 HGAAHN NC(=O)N[C@@H](CC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000012851989 569010509 /nfs/dbraw/zinc/01/05/09/569010509.db2.gz DPKWGPFQVUYMIA-FQEVSTJZSA-N 0 3 414.937 3.220 50 0 HGAAHN O=C(Cc1csc(NC(=O)c2ccccc2)n1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012909070 569021665 /nfs/dbraw/zinc/02/16/65/569021665.db2.gz CGVWRZIYFQLRCT-LJQANCHMSA-N 0 3 420.538 3.329 50 0 HGAAHN CC1CCN(CCNC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)CC1 ZINC000035398344 569035167 /nfs/dbraw/zinc/03/51/67/569035167.db2.gz GWVYWAJNBHYFCA-UHFFFAOYSA-N 0 3 407.562 3.208 50 0 HGAAHN C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000006659873 569084000 /nfs/dbraw/zinc/08/40/00/569084000.db2.gz DGSXCBZLHHKNJU-KRWDZBQOSA-N 0 3 406.482 3.341 50 0 biogenic HGAAHN COc1ccc(CN(Cc2nc(C(=O)NCCN(C)C)co2)[C@@H](C)C(C)C)cc1 ZINC000036063933 569085552 /nfs/dbraw/zinc/08/55/52/569085552.db2.gz ZZRPVPQRIMSSHA-KRWDZBQOSA-N 0 3 402.539 3.021 50 0 HGAAHN CCC(CC)C(=O)N(CCN(C)C)Cc1cc(NC(=O)C2CC2)ccc1N(C)C ZINC000006712896 569096883 /nfs/dbraw/zinc/09/68/83/569096883.db2.gz JDQQMESZSLEBLT-UHFFFAOYSA-N 0 3 402.583 3.428 50 0 HGAAHN O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)NCCN1CCCC1 ZINC000006796626 569125106 /nfs/dbraw/zinc/12/51/06/569125106.db2.gz MVSVPSIJMGUJCT-UHFFFAOYSA-N 0 3 409.559 3.108 50 0 HGAAHN CCCn1c2ccccc2c2cnn(CC(=O)NCCN3[C@H](C)CCC[C@H]3C)c(=O)c21 ZINC000006900171 569176198 /nfs/dbraw/zinc/17/61/98/569176198.db2.gz YCQCXYRWHJBFNP-QZTJIDSGSA-N 0 3 423.561 3.140 50 0 HGAAHN Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000008596737 569188391 /nfs/dbraw/zinc/18/83/91/569188391.db2.gz QEDDAXFKVBBBHW-UHFFFAOYSA-N 0 3 410.518 3.158 50 0 HGAAHN O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1)NCCN1CCCCCC1 ZINC000065245359 569205223 /nfs/dbraw/zinc/20/52/23/569205223.db2.gz HAUFRGWJEGNVQJ-IBGZPJMESA-N 0 3 414.598 3.040 50 0 HGAAHN COc1ccccc1CNC(=O)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065255883 569208116 /nfs/dbraw/zinc/20/81/16/569208116.db2.gz SVBKEKIGUQTQQK-NRFANRHFSA-N 0 3 402.498 3.171 50 0 HGAAHN COc1ccccc1CNC(=O)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1 ZINC000065256058 569208164 /nfs/dbraw/zinc/20/81/64/569208164.db2.gz OCLUMROCTJINSH-NRFANRHFSA-N 0 3 402.498 3.171 50 0 HGAAHN O=C(NCc1cc(F)cc(F)c1)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1 ZINC000065256400 569208376 /nfs/dbraw/zinc/20/83/76/569208376.db2.gz WWDZVCKTHRTTPK-NRFANRHFSA-N 0 3 408.452 3.441 50 0 HGAAHN C[C@@H](SC1=N[C@H](c2c[nH]c3ccccc32)NC(=N)N1)C(=O)N1CCc2ccccc21 ZINC000013579104 569256341 /nfs/dbraw/zinc/25/63/41/569256341.db2.gz MNGDBVFBOPWMRL-BFUOFWGJSA-N 0 3 418.526 3.151 50 0 HGAAHN CS[C@@H]1CN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)C[C@@H]1N(C)C ZINC000089637003 569261515 /nfs/dbraw/zinc/26/15/15/569261515.db2.gz JBAUFOGDFHFJDL-ZWKOTPCHSA-N 0 3 405.589 3.077 50 0 HGAAHN FC(F)(F)c1ccc(N2CCN(C3CCN(Cc4cccnc4)CC3)CC2)nc1 ZINC000252495235 569290835 /nfs/dbraw/zinc/29/08/35/569290835.db2.gz OOCTUUSEVMLRFT-UHFFFAOYSA-N 0 3 405.468 3.282 50 0 HGAAHN O=C(C1[C@@H](c2c(F)cccc2Cl)NC(=O)N[C@@]1(O)c1ccccc1)C(F)(F)F ZINC000017610639 569293906 /nfs/dbraw/zinc/29/39/06/569293906.db2.gz GLDVABPFDZZKSU-CKEIUWERSA-N 0 3 416.758 3.426 50 0 HGAAHN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CCN([C@H]2CCSC2)CC1 ZINC000252550536 569294193 /nfs/dbraw/zinc/29/41/93/569294193.db2.gz SQSSCLUVOQEHNC-KRWDZBQOSA-N 0 3 422.538 3.342 50 0 HGAAHN COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)OCCN(C)C)cc1 ZINC000002255125 569326196 /nfs/dbraw/zinc/32/61/96/569326196.db2.gz JMSKFXIHSGPEGC-QNGOZBTKSA-N 0 3 421.497 3.063 50 0 HGAAHN CN(C)[C@]1(CNC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CCSC1 ZINC000079015201 569423807 /nfs/dbraw/zinc/42/38/07/569423807.db2.gz YLOCPYQYVGQEIJ-SFHVURJKSA-N 0 3 415.028 3.452 50 0 HGAAHN O=C(Nc1ccc(CCN2CCSCC2)cc1)N(CCCO)Cc1ccncc1 ZINC000079059532 569426185 /nfs/dbraw/zinc/42/61/85/569426185.db2.gz SXIVIKYVJKDKQA-UHFFFAOYSA-N 0 3 414.575 3.089 50 0 HGAAHN CCOC(=O)C1C(CN2CCCCCC2)=NC(=O)N[C@H]1c1ccccc1OCC ZINC000067286821 571064869 /nfs/dbraw/zinc/06/48/69/571064869.db2.gz HMGYCUSVVGLUCD-FQEVSTJZSA-N 0 3 401.507 3.132 50 0 HGAAHN CN(C)C[C@@H](CNC(=O)Nc1cccc(N2CCCCC2=O)c1)[C@@H](O)c1ccccc1 ZINC000040104956 571165662 /nfs/dbraw/zinc/16/56/62/571165662.db2.gz GWZYOBTUZIUZIP-XXBNENTESA-N 0 3 424.545 3.236 50 0 HGAAHN CCN(CC)[C@H](CNC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccsc1 ZINC000031984097 520862233 /nfs/dbraw/zinc/86/22/33/520862233.db2.gz GKDIQZLAYOISHZ-LJQANCHMSA-N 0 3 403.548 3.393 50 0 HGAAHN COc1cc(CS(=O)(=O)C(C)C(=O)NCC2CCCCC2)ccc1OC(F)F ZINC000032929810 522501758 /nfs/dbraw/zinc/50/17/58/522501758.db2.gz DHMPHQWORGOFBM-CYBMUJFWSA-N 0 3 419.490 3.296 50 0 HGAAHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccc(F)cc1 ZINC000019819132 522868513 /nfs/dbraw/zinc/86/85/13/522868513.db2.gz FGIXFPYIJVWSCN-QGZVFWFLSA-N 0 3 400.381 3.403 50 0 HGAAHN CNC(=O)[C@@H]1C[C@@H](NCc2ccc(C(F)(F)F)cc2)CN1C1Cc2ccccc2C1 ZINC000032573436 524087795 /nfs/dbraw/zinc/08/77/95/524087795.db2.gz VZPYWFIIVQQRFF-CTNGQTDRSA-N 0 3 417.475 3.151 50 0 HGAAHN O=C(NCCN1CCCC1)c1cccc(NC(=O)N2CCSc3ncccc32)c1 ZINC000020565167 526305837 /nfs/dbraw/zinc/30/58/37/526305837.db2.gz WKIPIDXZEXFNQC-UHFFFAOYSA-N 0 3 411.531 3.051 50 0 HGAAHN O=C(CCC(=O)N1CCN(C2CCCC2)CC1)Nc1nnc(C2CCCCC2)s1 ZINC000020392842 526379135 /nfs/dbraw/zinc/37/91/35/526379135.db2.gz SOOPAUMCGZKYOS-UHFFFAOYSA-N 0 3 419.595 3.391 50 0 HGAAHN CCOc1cc(CN2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)ccc1O ZINC000000795496 557082850 /nfs/dbraw/zinc/08/28/50/557082850.db2.gz GLZGIIHZWFHWJB-UHFFFAOYSA-N 0 3 412.530 3.024 50 0 HGAAHN O=C(NCCN1CCOCC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000034668603 557362348 /nfs/dbraw/zinc/36/23/48/557362348.db2.gz HMQWDDZBTLCNIW-UHFFFAOYSA-N 0 3 421.585 3.203 50 0 HGAAHN O=C(CCc1ccccc1)NC(=S)Nc1nnc(CCN2CCCCC2)s1 ZINC000005078131 557634409 /nfs/dbraw/zinc/63/44/09/557634409.db2.gz FOWOFAPOJPFGKA-UHFFFAOYSA-N 0 3 403.577 3.012 50 0 HGAAHN COc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)c2c1 ZINC000009482581 557844013 /nfs/dbraw/zinc/84/40/13/557844013.db2.gz MFTJXYFTFZAVEY-IBGZPJMESA-N 0 3 415.852 3.433 50 0 HGAAHN COc1ccccc1N1CCN([C@H]2CCCN(Cc3nc4ccc(F)cc4[nH]3)C2)CC1 ZINC000019732202 558259873 /nfs/dbraw/zinc/25/98/73/558259873.db2.gz AHQCHUQZXINDKY-IBGZPJMESA-N 0 3 423.536 3.497 50 0 HGAAHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccc(OC)cc1 ZINC000019819134 558289268 /nfs/dbraw/zinc/28/92/68/558289268.db2.gz WQAHYOWGOSACTL-SFHVURJKSA-N 0 3 412.417 3.273 50 0 HGAAHN O=C(NCCN1CCC[C@H](c2ccccc2)C1)c1cn(CCc2ccccc2)nn1 ZINC000011874815 558292348 /nfs/dbraw/zinc/29/23/48/558292348.db2.gz VNUSAFNJNZKSSU-QFIPXVFZSA-N 0 3 403.530 3.130 50 0 HGAAHN O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1cn(Cc2ccccc2F)nn1 ZINC000012090473 558323974 /nfs/dbraw/zinc/32/39/74/558323974.db2.gz NITYBTUYBMICJN-IBGZPJMESA-N 0 3 407.493 3.108 50 0 HGAAHN O=C(c1nc2ccccn2c1CNCCCn1ncc2ccccc21)N1CCCC1 ZINC000012199808 558351146 /nfs/dbraw/zinc/35/11/46/558351146.db2.gz WGJNTCYEZCXQPZ-UHFFFAOYSA-N 0 3 402.502 3.100 50 0 HGAAHN COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccccc2C)CC3)c1 ZINC000020452906 558367136 /nfs/dbraw/zinc/36/71/36/558367136.db2.gz LBCKFTJFANNETE-GOSISDBHSA-N 0 3 419.529 3.144 50 0 HGAAHN O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000012297368 558367374 /nfs/dbraw/zinc/36/73/74/558367374.db2.gz GWXJFQRUOAOVGP-LJQANCHMSA-N 0 3 418.497 3.494 50 0 HGAAHN Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN2C2CSCCSC2)cc1 ZINC000012301979 558371536 /nfs/dbraw/zinc/37/15/36/558371536.db2.gz NNPZXYCXRCYNIX-LJQANCHMSA-N 0 3 402.589 3.432 50 0 HGAAHN Cc1nc2ccccc2n1Cc1cc(C(=O)N2CCCN(C3CCCC3)CC2)[nH]n1 ZINC000012307007 558375656 /nfs/dbraw/zinc/37/56/56/558375656.db2.gz JVMAUAYCUWBJKA-UHFFFAOYSA-N 0 3 406.534 3.207 50 0 HGAAHN CN(C(=O)c1cc2ccccc2oc1=O)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012590432 558435461 /nfs/dbraw/zinc/43/54/61/558435461.db2.gz MMJDIUPXTZPVAE-FQEVSTJZSA-N 0 3 402.494 3.497 50 0 HGAAHN Cc1ccccc1Cn1cc(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)nn1 ZINC000012713730 558454130 /nfs/dbraw/zinc/45/41/30/558454130.db2.gz VGJYJOVZSKQUQI-JOCHJYFZSA-N 0 3 403.530 3.244 50 0 HGAAHN C[C@H](NCc1ccccc1CN1CCOCC1)C(=O)Nc1ccccc1OC(F)F ZINC000022025098 558458798 /nfs/dbraw/zinc/45/87/98/558458798.db2.gz TZMVYBVXWZDFQZ-INIZCTEOSA-N 0 3 419.472 3.237 50 0 HGAAHN CN(C)CCN(C)C(=O)c1cccc(OC2CCN(C(=O)C3=CCCCC3)CC2)c1 ZINC000012835386 558477811 /nfs/dbraw/zinc/47/78/11/558477811.db2.gz XPAXCVOBKMDTKT-UHFFFAOYSA-N 0 3 413.562 3.190 50 0 HGAAHN Cc1ccccc1N1CCN([C@H]2CCCN(Cc3cccc(OCCO)c3)C2)CC1 ZINC000023374778 558554448 /nfs/dbraw/zinc/55/44/48/558554448.db2.gz YIQOXRWEUIZLFK-QHCPKHFHSA-N 0 3 409.574 3.153 50 0 HGAAHN COc1cccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)c1 ZINC000023382147 558555422 /nfs/dbraw/zinc/55/54/22/558555422.db2.gz OUCCBZZXZNBTKX-YLJYHZDGSA-N 0 3 420.469 3.140 50 0 HGAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(C(C)=O)cc2)n2c3ccccc3nc21 ZINC000023411170 558557501 /nfs/dbraw/zinc/55/75/01/558557501.db2.gz GCICOTBHNCCQHZ-HXUWFJFHSA-N 0 3 420.469 3.192 50 0 HGAAHN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000027934205 558684969 /nfs/dbraw/zinc/68/49/69/558684969.db2.gz BWZQWTBEVRONAW-IBGZPJMESA-N 0 3 403.526 3.325 50 0 HGAAHN CC(C)C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(-c3ccco3)cc1)CC2 ZINC000014990554 558694350 /nfs/dbraw/zinc/69/43/50/558694350.db2.gz MLEGMBISNWCRQK-KRWDZBQOSA-N 0 3 407.518 3.430 50 0 HGAAHN Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(N2CCCN(C)CC2)nc1 ZINC000070037562 558702761 /nfs/dbraw/zinc/70/27/61/558702761.db2.gz AXGCDEOPWODAGO-UHFFFAOYSA-N 0 3 419.529 3.046 50 0 HGAAHN COc1ccc(OCc2cc(C(=O)N(C)C[C@@H]3CCCCN3C)n[nH]2)c(Cl)c1 ZINC000015066081 558709142 /nfs/dbraw/zinc/70/91/42/558709142.db2.gz PYDXEJSSXRZURH-HNNXBMFYSA-N 0 3 406.914 3.207 50 0 HGAAHN COc1ccc(OCc2cc(C(=O)N(C)C[C@@H]3CCCCN3C)[nH]n2)c(Cl)c1 ZINC000015066081 558709145 /nfs/dbraw/zinc/70/91/45/558709145.db2.gz PYDXEJSSXRZURH-HNNXBMFYSA-N 0 3 406.914 3.207 50 0 HGAAHN COc1cc(CN2CCC(C(=O)N3CCOCC3)CC2)ccc1OCc1ccccc1 ZINC000002828221 558776473 /nfs/dbraw/zinc/77/64/73/558776473.db2.gz YKTJUNLKOOVXMF-UHFFFAOYSA-N 0 3 424.541 3.345 50 0 HGAAHN CN(C)CCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc3c(c2)OCO3)n1 ZINC000016913675 558809199 /nfs/dbraw/zinc/80/91/99/558809199.db2.gz KRRZFNCLDICZQJ-UHFFFAOYSA-N 0 3 417.473 3.261 50 0 HGAAHN CN1CCCN(c2ccc(CNC(=O)Cc3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000058114348 558899707 /nfs/dbraw/zinc/89/97/07/558899707.db2.gz RRWXOCNEGQQLEC-UHFFFAOYSA-N 0 3 406.452 3.101 50 0 HGAAHN COCCOc1ccc([C@H](C)NC(=O)N2CCCN(C(C)(C)C)CC2)cc1OC ZINC000058178223 558909926 /nfs/dbraw/zinc/90/99/26/558909926.db2.gz KUQMLHHSCXXRLO-KRWDZBQOSA-N 0 3 407.555 3.297 50 0 HGAAHN CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCCN3CCCC[C@@H]3C)c2)C1 ZINC000033264213 558984686 /nfs/dbraw/zinc/98/46/86/558984686.db2.gz PEOVBAMEGAMIDK-GHTZIAJQSA-N 0 3 400.567 3.200 50 0 HGAAHN Cn1ccnc1CNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000067772329 558992621 /nfs/dbraw/zinc/99/26/21/558992621.db2.gz AWLSIAYGLJNPIE-UHFFFAOYSA-N 0 3 418.541 3.436 50 0 HGAAHN Cc1ccc(OCC(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000004745975 559046638 /nfs/dbraw/zinc/04/66/38/559046638.db2.gz YFZYHQWURDAYAZ-UHFFFAOYSA-N 0 3 407.558 3.183 50 0 HGAAHN CCCN1CCc2nc[nH]c2C12CCN(C(=O)Cc1csc(C(C)=O)c1)CC2 ZINC000096131445 559095508 /nfs/dbraw/zinc/09/55/08/559095508.db2.gz XNHAMQDQMQFTCL-UHFFFAOYSA-N 0 3 400.548 3.002 50 0 HGAAHN CN(C)[C@@H](CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)Cc1ccccc1 ZINC000011603673 559113199 /nfs/dbraw/zinc/11/31/99/559113199.db2.gz VRYDKPWOVSCXOR-VQIMIIECSA-N 0 3 417.962 3.432 50 0 HGAAHN COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000100492731 559135716 /nfs/dbraw/zinc/13/57/16/559135716.db2.gz KGSNKOSIEYXJTF-INIZCTEOSA-N 0 3 423.296 3.475 50 0 HGAAHN CCN1CCC[C@H]1CNC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)sc1C ZINC000011691876 559185516 /nfs/dbraw/zinc/18/55/16/559185516.db2.gz YYMRPVBDWHLUOB-HNNXBMFYSA-N 0 3 419.547 3.358 50 0 HGAAHN COc1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000005345588 560569919 /nfs/dbraw/zinc/56/99/19/560569919.db2.gz WNRFZXMNQLNTBW-NRFANRHFSA-N 0 3 422.481 3.307 50 0 HGAAHN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(CCCN(C)C)c(=N)c32)cc1 ZINC000005348761 560571110 /nfs/dbraw/zinc/57/11/10/560571110.db2.gz HYIFZCLUNNDGSY-HXUWFJFHSA-N 0 3 406.486 3.314 50 0 HGAAHN CCN1CCC(NC(=O)c2cc(Cl)c(I)cc2OC)CC1 ZINC000057992492 560735381 /nfs/dbraw/zinc/73/53/81/560735381.db2.gz GYVOCCUHWVGQII-UHFFFAOYSA-N 0 3 422.694 3.167 50 0 HGAAHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000106136251 560884862 /nfs/dbraw/zinc/88/48/62/560884862.db2.gz PIMGUNZFOKZYQU-OWCLPIDISA-N 0 3 422.367 3.039 50 0 HGAAHN CC[C@@H]1CCCCN1C(=O)C(C)S(=O)(=O)Cc1cc2c(c(Cl)c1)OCO2 ZINC000048253308 568434429 /nfs/dbraw/zinc/43/44/29/568434429.db2.gz OTTSWEABXVPZGT-TZMCWYRMSA-N 0 3 401.912 3.163 50 0 HGAAHN CN(C)C[C@@H](CNC(=O)Nc1ccc(N2CCCCC2)nc1)[C@H](O)c1ccccc1 ZINC000048278418 568435797 /nfs/dbraw/zinc/43/57/97/568435797.db2.gz CMJOFTRJPPJZHU-DENIHFKCSA-N 0 3 411.550 3.105 50 0 HGAAHN O=C1C[C@H](c2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 ZINC000049772131 568453446 /nfs/dbraw/zinc/45/34/46/568453446.db2.gz YACGSFQFKLDZPH-ZDFPQIBNSA-N 0 3 420.900 3.302 50 0 HGAAHN O=C(CS[C@@H]1CCc2ccccc2NC1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000012323297 568471423 /nfs/dbraw/zinc/47/14/23/568471423.db2.gz OHHKDFVGJYKEAI-JOCHJYFZSA-N 0 3 423.582 3.454 50 0 HGAAHN COc1cccc(CN2CCC[C@@]3(CCN(Cc4ccc(CO)o4)C3)C2)c1OC ZINC000014978014 568517287 /nfs/dbraw/zinc/51/72/87/568517287.db2.gz JBPASXRHEUNCEX-HSZRJFAPSA-N 0 3 400.519 3.277 50 0 HGAAHN CN(C)Cc1cccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)c1 ZINC000095349801 568600709 /nfs/dbraw/zinc/60/07/09/568600709.db2.gz CCTGLBWJHIEKOC-OAQYLSRUSA-N 0 3 421.566 3.467 50 0 HGAAHN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020411328 568605233 /nfs/dbraw/zinc/60/52/33/568605233.db2.gz WRMKBSBJQCLVBI-ZKNOEPHOSA-N 0 3 424.585 3.089 50 0 biogenic HGAAHN C[C@H]1C[C@@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)CCN1Cc1ccccc1 ZINC000095408978 568606542 /nfs/dbraw/zinc/60/65/42/568606542.db2.gz RIQLCABSCOHFIC-FPOVZHCZSA-N 0 3 421.541 3.362 50 0 HGAAHN CCC(=O)c1ccc(OCC(=O)Nc2cccc(CCN3CCN(C)CC3)c2)cc1 ZINC000095457794 568618782 /nfs/dbraw/zinc/61/87/82/568618782.db2.gz MLPIYMINTQDUIX-UHFFFAOYSA-N 0 3 409.530 3.087 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000012389556 568691938 /nfs/dbraw/zinc/69/19/38/568691938.db2.gz RDUBRJPPFZPBSB-SFHVURJKSA-N 0 3 411.933 3.474 50 0 HGAAHN COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(C)c(C)c1 ZINC000012438038 568723120 /nfs/dbraw/zinc/72/31/20/568723120.db2.gz VNXZQQDHECMJME-SYYKKAFVSA-N 0 3 415.511 3.209 50 0 HGAAHN CCOC(=O)C1=C(CN[C@H](C)CCc2ccccc2)NC(=O)N[C@H]1c1ccccc1 ZINC000085993826 568745130 /nfs/dbraw/zinc/74/51/30/568745130.db2.gz SLDFDPJKNPNUES-VGSWGCGISA-N 0 3 407.514 3.469 50 0 HGAAHN CCOC(=O)C1C(CN[C@H](C)CCc2ccccc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000085993826 568745132 /nfs/dbraw/zinc/74/51/32/568745132.db2.gz SLDFDPJKNPNUES-VGSWGCGISA-N 0 3 407.514 3.469 50 0 HGAAHN CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccc(Br)cc1F ZINC000021868450 568756057 /nfs/dbraw/zinc/75/60/57/568756057.db2.gz RHBPWBUUYHEHFA-UHFFFAOYSA-N 0 3 411.271 3.255 50 0 biogenic HGAAHN CC(C)[C@H](NCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000057435050 568836607 /nfs/dbraw/zinc/83/66/07/568836607.db2.gz CBXSUIFJAOOKQN-QFIPXVFZSA-N 0 3 409.578 3.410 50 0 HGAAHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000230223578 568855888 /nfs/dbraw/zinc/85/58/88/568855888.db2.gz PIMGUNZFOKZYQU-PMPSAXMXSA-N 0 3 422.367 3.039 50 0 HGAAHN CCN(CC)CCNC(=O)C[S@@](=O)Cc1nc(-c2ccc(Cl)cc2)oc1C ZINC000004034662 568879219 /nfs/dbraw/zinc/87/92/19/568879219.db2.gz VDOAZWOFFDIXEM-HHHXNRCGSA-N 0 3 411.955 3.010 50 0 HGAAHN CCOC(=O)c1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000015360765 568882095 /nfs/dbraw/zinc/88/20/95/568882095.db2.gz MWQMLEXRMCTRGE-UHFFFAOYSA-N 0 3 416.543 3.328 50 0 HGAAHN O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(c2ccncc2)CC1 ZINC000008185991 568980526 /nfs/dbraw/zinc/98/05/26/568980526.db2.gz KXQBXTHDQYBFDQ-UHFFFAOYSA-N 0 3 413.481 3.271 50 0 HGAAHN COc1cccc(-n2ccnc2SCC(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000008342482 568993711 /nfs/dbraw/zinc/99/37/11/568993711.db2.gz QMBZJYRRLKULIK-HXUWFJFHSA-N 0 3 410.543 3.392 50 0 HGAAHN CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 ZINC000008343740 568994032 /nfs/dbraw/zinc/99/40/32/568994032.db2.gz QCTZGXAMRXUDJU-VQIMIIECSA-N 0 3 419.447 3.477 50 0 HGAAHN Cc1ccc(-c2cnc(N3CCC[C@H](C(=O)NCCN4CCCCC4)C3)nc2)cc1 ZINC000035455123 569037883 /nfs/dbraw/zinc/03/78/83/569037883.db2.gz SDFCVQUYRXUHDS-NRFANRHFSA-N 0 3 407.562 3.271 50 0 HGAAHN CN(C)CCNC(=O)[C@@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C ZINC000006363854 569046014 /nfs/dbraw/zinc/04/60/14/569046014.db2.gz BDCTYTCNIRVWSR-DOTOQJQBSA-N 0 3 413.971 3.369 50 0 HGAAHN c1cc2c(cc1-n1nnnc1C1(N3CCCC3)C3CC4CC(C3)CC1C4)OCCO2 ZINC000035622363 569046564 /nfs/dbraw/zinc/04/65/64/569046564.db2.gz MWCLRLHCMIQFPL-UHFFFAOYSA-N 0 3 407.518 3.181 50 0 HGAAHN CN(C)[C@@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1ccccc1 ZINC000006544287 569065018 /nfs/dbraw/zinc/06/50/18/569065018.db2.gz UZOZQIFPASEKRY-QFIPXVFZSA-N 0 3 412.493 3.418 50 0 HGAAHN CN(C)[C@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1ccccc1 ZINC000006544293 569065040 /nfs/dbraw/zinc/06/50/40/569065040.db2.gz UZOZQIFPASEKRY-JOCHJYFZSA-N 0 3 412.493 3.418 50 0 HGAAHN CCc1ccc(CN2CCc3c(C(=O)N4CCN5CCC[C@H]5C4)csc3C2)nc1 ZINC000426428209 569072943 /nfs/dbraw/zinc/07/29/43/569072943.db2.gz CVIAXYSFQGJOEG-IBGZPJMESA-N 0 3 410.587 3.184 50 0 HGAAHN CCCN1CC[C@H](NC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1 ZINC000426683799 569073794 /nfs/dbraw/zinc/07/37/94/569073794.db2.gz LBOBTQHPQWCXTD-INIZCTEOSA-N 0 3 402.564 3.125 50 0 HGAAHN O=C(CN1CC[C@]2(C1)CCCN(Cc1ccccc1F)C2=O)N1CCCCCC1 ZINC000426707423 569074011 /nfs/dbraw/zinc/07/40/11/569074011.db2.gz LNQRQQDQLYGXNA-QHCPKHFHSA-N 0 3 401.526 3.043 50 0 HGAAHN Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCCN1CCc3ccccc3C1)CO2 ZINC000006819693 569139325 /nfs/dbraw/zinc/13/93/25/569139325.db2.gz RAMVMWVMUHYYPZ-UHFFFAOYSA-N 0 3 416.525 3.316 50 0 HGAAHN O=S(=O)(c1cc(-c2nnc(C3CCC3)o2)co1)N1CCC(N2CCCCC2)CC1 ZINC000065246677 569205700 /nfs/dbraw/zinc/20/57/00/569205700.db2.gz IDGMWHPMTIYNJC-UHFFFAOYSA-N 0 3 420.535 3.236 50 0 HGAAHN O=C(Nc1ccc2c(c1)OCCO2)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065255886 569208090 /nfs/dbraw/zinc/20/80/90/569208090.db2.gz OTKNUSGXGANJGJ-HXUWFJFHSA-N 0 3 416.481 3.256 50 0 HGAAHN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1 ZINC000065256222 569208275 /nfs/dbraw/zinc/20/82/75/569208275.db2.gz SAWLSLMWLQCYRC-HXUWFJFHSA-N 0 3 416.481 3.256 50 0 HGAAHN O=C(CCC1CCN(c2cc(NC3CC3)ncn2)CC1)NCCN1CCCCCC1 ZINC000065274300 569215032 /nfs/dbraw/zinc/21/50/32/569215032.db2.gz ZBNGUDHWTQBKAF-UHFFFAOYSA-N 0 3 414.598 3.040 50 0 HGAAHN CCN(CC)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]21 ZINC000002118415 569284819 /nfs/dbraw/zinc/28/48/19/569284819.db2.gz SLICQNPSYDKJJL-NRFANRHFSA-N 0 3 409.486 3.160 50 0 biogenic HGAAHN CC(C)(C)OC[C@@H](O)CN1CCC(N2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000252499177 569291042 /nfs/dbraw/zinc/29/10/42/569291042.db2.gz RWQMGFBTGZRXMB-SFHVURJKSA-N 0 3 410.514 3.076 50 0 HGAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)CC4CCCC4)CC3)C2)CC1 ZINC000581820138 569320956 /nfs/dbraw/zinc/32/09/56/569320956.db2.gz UJVOSMAQRURRKD-QFIPXVFZSA-N 0 3 405.627 3.381 50 0 HGAAHN Cc1csc2nc(CN[C@@H]3[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]3C)cc(=O)n12 ZINC000253417308 569367419 /nfs/dbraw/zinc/36/74/19/569367419.db2.gz FUZGSLRUGRWWST-RVSPLBMKSA-N 0 3 406.552 3.188 50 0 HGAAHN CN(C(=O)CC[C@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1)C1CCN(C)CC1 ZINC000012386677 569381905 /nfs/dbraw/zinc/38/19/05/569381905.db2.gz AXJDKPZLUUGVAK-GOSISDBHSA-N 0 3 419.997 3.454 50 0 HGAAHN COCCN(CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000079024577 569424672 /nfs/dbraw/zinc/42/46/72/569424672.db2.gz VBXPKKYANUBTPK-UYAOXDASSA-N 0 3 419.566 3.039 50 0 HGAAHN O=C(NC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1)c1ccc(F)cc1 ZINC000040158154 571204681 /nfs/dbraw/zinc/20/46/81/571204681.db2.gz POUVVBPYZCIDEY-UHFFFAOYSA-N 0 3 409.505 3.456 50 0 HGAAHN CC(C)(C)OC[C@H](O)CN1CCC(NC(=O)NCc2cccc3ccccc32)CC1 ZINC000244909801 571210422 /nfs/dbraw/zinc/21/04/22/571210422.db2.gz AWIJTDRZKATTHC-OAQYLSRUSA-N 0 3 413.562 3.279 50 0 HGAAHN Cc1noc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)n1 ZINC000245060696 571212747 /nfs/dbraw/zinc/21/27/47/571212747.db2.gz PWOFFHGREPNTIY-UHFFFAOYSA-N 0 3 409.456 3.183 50 0 HGAAHN Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CC[C@H](c3ccccc3)C2)CC1 ZINC000069620799 571234550 /nfs/dbraw/zinc/23/45/50/571234550.db2.gz LWJKVCUKLNURFR-NRFANRHFSA-N 0 3 405.542 3.205 50 0 HGAAHN Cn1nc2nc(NCCN3CCCCC3)nc(-c3ccc(F)c(Cl)c3)c2c1N ZINC000037360924 571317432 /nfs/dbraw/zinc/31/74/32/571317432.db2.gz FUSFUDDOEYCLNL-UHFFFAOYSA-N 0 3 403.893 3.303 50 0 HGAAHN CCCN1Cc2cccc(C(=O)Nc3ccc(N4CCN(CC)CC4)cc3)c2C1=O ZINC000004056981 132270476 /nfs/dbraw/zinc/27/04/76/132270476.db2.gz HITDBRUWWSAXND-UHFFFAOYSA-N 0 3 406.530 3.447 50 0 HGAAHN CCN1CCN(CCNc2cc(C)nc3c(-c4ccccc4OC)c(C)nn32)CC1 ZINC000020279812 521683856 /nfs/dbraw/zinc/68/38/56/521683856.db2.gz PAMUTBNACJBXSB-UHFFFAOYSA-N 0 3 408.550 3.071 50 0 HGAAHN CCN1CCN(CCOc2ccc3cc(-c4ccc(OC)cc4)c(=O)oc3c2)CC1 ZINC000020573747 521684142 /nfs/dbraw/zinc/68/41/42/521684142.db2.gz QBVNJXQDSANOSJ-UHFFFAOYSA-N 0 3 408.498 3.485 50 0 HGAAHN CCN1CCN(c2ccc(NC(=O)[C@@H](C)NC(=O)OCc3ccccc3)cc2)CC1 ZINC000032736242 521699387 /nfs/dbraw/zinc/69/93/87/521699387.db2.gz JAWZWOPQBCMXRT-GOSISDBHSA-N 0 3 410.518 3.082 50 0 HGAAHN CCNC(=O)[C@@H]1C[C@H](NCc2cc(F)ccc2F)CN1Cc1ccccc1Cl ZINC000020601485 521744994 /nfs/dbraw/zinc/74/49/94/521744994.db2.gz GSPOGXOXUUSESU-PXNSSMCTSA-N 0 3 407.892 3.487 50 0 HGAAHN CCc1ccc([C@@H](CNC(=O)COc2ccc(N3CCCC3=O)cc2)N(C)C)cc1 ZINC000032733938 524029923 /nfs/dbraw/zinc/02/99/23/524029923.db2.gz VLDHYTYMSHMQSM-JOCHJYFZSA-N 0 3 409.530 3.174 50 0 HGAAHN Cc1ccc(-n2cc3c(n2)NCCc2cnc(N4CCN(CC(C)C)CC4)nc2-3)cc1 ZINC000032918694 525909802 /nfs/dbraw/zinc/90/98/02/525909802.db2.gz HNNGKSXTUDPXFI-UHFFFAOYSA-N 0 3 417.561 3.384 50 0 HGAAHN CCN1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(OC)cc2)C1=O ZINC000002197453 535549977 /nfs/dbraw/zinc/54/99/77/535549977.db2.gz PBEUJHKXZRRKLN-IPEVAPCJSA-N 0 3 405.498 3.297 50 0 HGAAHN Cc1c(C(=O)N(C)Cc2ccco2)nnn1-c1cccc2c1CCN(CC1CC1)C2 ZINC000071890401 557314880 /nfs/dbraw/zinc/31/48/80/557314880.db2.gz PZBVHGCZVBRVJN-UHFFFAOYSA-N 0 3 405.502 3.209 50 0 HGAAHN COc1cc(CNCCSc2nnnn2C)cc(Cl)c1OCc1ccccc1 ZINC000004998057 557622906 /nfs/dbraw/zinc/62/29/06/557622906.db2.gz GDQJLMOGWURFDJ-UHFFFAOYSA-N 0 3 419.938 3.333 50 0 HGAAHN COc1cc(CNCCSc2nnnn2C)ccc1OCc1ccc(Cl)cc1 ZINC000004998047 557622971 /nfs/dbraw/zinc/62/29/71/557622971.db2.gz JGFGMXKVGDYHHZ-UHFFFAOYSA-N 0 3 419.938 3.333 50 0 HGAAHN COc1ccc(CCNC(=S)NC2CCN(Cc3ccccc3)CC2)cc1OC ZINC000005060695 557632847 /nfs/dbraw/zinc/63/28/47/557632847.db2.gz CTNADTNIAYRAAC-UHFFFAOYSA-N 0 3 413.587 3.375 50 0 HGAAHN CN(C)CCNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000010312741 557859124 /nfs/dbraw/zinc/85/91/24/557859124.db2.gz VNVPSZYDZBWXDO-UHFFFAOYSA-N 0 3 410.301 3.302 50 0 HGAAHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccc(C(C)=O)cc1 ZINC000019819138 558289280 /nfs/dbraw/zinc/28/92/80/558289280.db2.gz VBVMJIUIVQCXME-IBGZPJMESA-N 0 3 424.428 3.467 50 0 HGAAHN COc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000019872260 558299754 /nfs/dbraw/zinc/29/97/54/558299754.db2.gz GQMIYGVQQKRZEE-UHFFFAOYSA-N 0 3 408.901 3.489 50 0 HGAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(Cc3cccnc3)CC2)c(Cl)c1 ZINC000011937437 558301128 /nfs/dbraw/zinc/30/11/28/558301128.db2.gz OOZGHHHHCLECJM-UHFFFAOYSA-N 0 3 416.953 3.070 50 0 HGAAHN CC(=O)CCC(=O)N(C[C@H]1CCCO1)CC1CCN(C2Cc3ccccc3C2)CC1 ZINC000012093311 558324721 /nfs/dbraw/zinc/32/47/21/558324721.db2.gz RXYKDVBOPSZVLU-XMMPIXPASA-N 0 3 412.574 3.243 50 0 HGAAHN COc1cccc(-n2c(CNC(=O)CC3CCCC3)nnc2SCCN(C)C)c1 ZINC000012242696 558360959 /nfs/dbraw/zinc/36/09/59/558360959.db2.gz CORLWZGYDVDEKH-UHFFFAOYSA-N 0 3 417.579 3.126 50 0 HGAAHN COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccccc2C)CC3)c1 ZINC000020452904 558367081 /nfs/dbraw/zinc/36/70/81/558367081.db2.gz LBCKFTJFANNETE-SFHVURJKSA-N 0 3 419.529 3.144 50 0 HGAAHN COc1ccc(-c2nn(-c3ccccc3F)cc2CNCCN2CCOC2=O)cc1 ZINC000012430311 558405045 /nfs/dbraw/zinc/40/50/45/558405045.db2.gz MQFAEGGUHPEYDX-UHFFFAOYSA-N 0 3 410.449 3.229 50 0 HGAAHN Cc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)c1 ZINC000020780732 558412814 /nfs/dbraw/zinc/41/28/14/558412814.db2.gz MTTDZHVUJKFOJC-HXUWFJFHSA-N 0 3 417.557 3.455 50 0 HGAAHN COc1ccc([C@H](CNC(=O)CCc2nnc(-c3ccsc3)o2)N(C)C)cc1 ZINC000023178152 558540580 /nfs/dbraw/zinc/54/05/80/558540580.db2.gz NYYOSVUNJLESAM-KRWDZBQOSA-N 0 3 400.504 3.158 50 0 HGAAHN O=C1CC[C@@H](N2CCN(Cc3cccs3)CC2)CCN1CCOc1ccccc1 ZINC000023373943 558554013 /nfs/dbraw/zinc/55/40/13/558554013.db2.gz WDYVXOZPXHQMLE-HXUWFJFHSA-N 0 3 413.587 3.326 50 0 HGAAHN Cc1ccccc1NC(=O)CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382164 558555383 /nfs/dbraw/zinc/55/53/83/558555383.db2.gz MQOUATBBLQJXPC-OXJNMPFZSA-N 0 3 404.470 3.440 50 0 HGAAHN COc1ccccc1[C@H](CNc1ccc2nnc(C(F)(F)F)n2n1)N1CCCC1 ZINC000024893379 558619326 /nfs/dbraw/zinc/61/93/26/558619326.db2.gz UIFZKTJNSIGSMV-AWEZNQCLSA-N 0 3 406.412 3.401 50 0 HGAAHN CC(C)CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(Cc2ccncc2)C1 ZINC000014543196 558660789 /nfs/dbraw/zinc/66/07/89/558660789.db2.gz JUMPLJZRXXKUJL-RBUKOAKNSA-N 0 3 412.509 3.070 50 0 HGAAHN CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc(O)cc1)CC2 ZINC000014745873 558669096 /nfs/dbraw/zinc/66/90/96/558669096.db2.gz IZWNIQFOKDHNAS-UHFFFAOYSA-N 0 3 422.529 3.242 50 0 HGAAHN CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](N(C)Cc1ccsc1)C2 ZINC000014745995 558669182 /nfs/dbraw/zinc/66/91/82/558669182.db2.gz JRIIHWCMYIFXPM-MRXNPFEDSA-N 0 3 404.605 3.143 50 0 HGAAHN COc1ccc(/C=C/CN2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3C)cc1 ZINC000014746793 558669345 /nfs/dbraw/zinc/66/93/45/558669345.db2.gz WWJSNWSWEJNSTR-GQCTYLIASA-N 0 3 420.513 3.032 50 0 HGAAHN Cc1ccc(-c2ccnc(-n3ncc(C(=O)N(C)C4CCN(C)CC4)c3C3CC3)n2)o1 ZINC000014878595 558675344 /nfs/dbraw/zinc/67/53/44/558675344.db2.gz HHWJMFWRFULEHP-UHFFFAOYSA-N 0 3 420.517 3.274 50 0 HGAAHN O=C(NC[C@@H]1CCC2(CCN(Cc3ccncc3)CC2)O1)c1cc(F)c(F)cc1F ZINC000014884745 558677207 /nfs/dbraw/zinc/67/72/07/558677207.db2.gz NMBPZQXYYBPNBI-INIZCTEOSA-N 0 3 419.447 3.443 50 0 HGAAHN O=C(CCN1CCCCCC1=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000014947910 558679933 /nfs/dbraw/zinc/67/99/33/558679933.db2.gz RYEFXUWACAHGQY-DEOSSOPVSA-N 0 3 415.553 3.433 50 0 HGAAHN Cc1cc(C(=O)NCc2nnc3n2CCN(CC[C@@H](C)c2ccccc2)CC3)c(C)o1 ZINC000014996574 558696258 /nfs/dbraw/zinc/69/62/58/558696258.db2.gz YPZMMPVIDCURJA-QGZVFWFLSA-N 0 3 421.545 3.470 50 0 HGAAHN CN(C)[C@H](CNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccccc1 ZINC000016229426 558780112 /nfs/dbraw/zinc/78/01/12/558780112.db2.gz RWJILXURNBFVJT-GOSISDBHSA-N 0 3 424.570 3.146 50 0 HGAAHN COc1cccc(N2CCC(N3CCN(CCc4ccccc4)[C@H](CCO)C3)CC2)c1 ZINC000039430476 558821146 /nfs/dbraw/zinc/82/11/46/558821146.db2.gz RTLBXEILTLGVTR-RUZDIDTESA-N 0 3 423.601 3.275 50 0 HGAAHN O=C(NCc1ccccc1CN1CCOCC1)C1CCN(Cc2ccccc2)CC1 ZINC000057137540 558887727 /nfs/dbraw/zinc/88/77/27/558887727.db2.gz QCJUQBKIJOGUQO-UHFFFAOYSA-N 0 3 407.558 3.047 50 0 HGAAHN NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)COc3ccccc3Cl)cc2)C1 ZINC000058326802 558919761 /nfs/dbraw/zinc/91/97/61/558919761.db2.gz HOKAXCTUVWSATM-INIZCTEOSA-N 0 3 401.894 3.055 50 0 HGAAHN CCN(C(=O)C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000058407776 558925094 /nfs/dbraw/zinc/92/50/94/558925094.db2.gz HIPOVFBRIVERBB-UHFFFAOYSA-N 0 3 401.457 3.099 50 0 HGAAHN Cc1ccc([C@@H](NC(=O)CCc2cc3n(n2)CCCNC3)c2cccnc2)cc1C ZINC000072423102 558978620 /nfs/dbraw/zinc/97/86/20/558978620.db2.gz MGORTPMWOCTABL-XMMPIXPASA-N 0 3 403.530 3.227 50 0 HGAAHN CCN1CCN(c2ccc(NC(=O)CCc3nc(-c4ccncc4)no3)cc2C)CC1 ZINC000022320330 558987899 /nfs/dbraw/zinc/98/78/99/558987899.db2.gz NHCSQZCFNVGBPT-UHFFFAOYSA-N 0 3 420.517 3.153 50 0 HGAAHN Cc1cccc(-c2ccc(CN3CC[C@@H](NC(=O)c4ccncc4)[C@H](O)C3)cc2)c1 ZINC000077302832 559000978 /nfs/dbraw/zinc/00/09/78/559000978.db2.gz VANOQAJLCBZATA-DNQXCXABSA-N 0 3 401.510 3.422 50 0 HGAAHN COc1cc2cc(CN(C)C[C@@H](O)CO)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000077505934 559007727 /nfs/dbraw/zinc/00/77/27/559007727.db2.gz HEDWCHSKLFNNDV-GOSISDBHSA-N 0 3 416.905 3.357 50 0 HGAAHN COc1ccc(CN2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)c(F)c1 ZINC000082097415 559037483 /nfs/dbraw/zinc/03/74/83/559037483.db2.gz PNGUXZGKWLUHEG-QFIPXVFZSA-N 0 3 400.498 3.005 50 0 HGAAHN COc1ccc(CN2CCC[C@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)c(F)c1 ZINC000082097415 559037484 /nfs/dbraw/zinc/03/74/84/559037484.db2.gz PNGUXZGKWLUHEG-QFIPXVFZSA-N 0 3 400.498 3.005 50 0 HGAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ncnc3ccsc31)C2 ZINC000095361662 559080074 /nfs/dbraw/zinc/08/00/74/559080074.db2.gz RVATTWLEMYUPNT-LZJOCLMNSA-N 0 3 402.564 3.035 50 0 HGAAHN c1ccc2nc(N3C[C@@H](c4ccc5c(c4)OCO5)[C@@H]4[C@H]3C3CCN4CC3)cnc2c1 ZINC000095373722 559080371 /nfs/dbraw/zinc/08/03/71/559080371.db2.gz LAVOBQBJCGOKPR-PKKBDPGCSA-N 0 3 400.482 3.425 50 0 HGAAHN Cc1cc(C(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)on1 ZINC000095507474 559083324 /nfs/dbraw/zinc/08/33/24/559083324.db2.gz IYMWGVUPDXMJEZ-GOSISDBHSA-N 0 3 402.514 3.038 50 0 HGAAHN Cc1nc(CN(C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)no1 ZINC000095523623 559085652 /nfs/dbraw/zinc/08/56/52/559085652.db2.gz IESGDADYBIOZJC-HXUWFJFHSA-N 0 3 402.514 3.410 50 0 HGAAHN COc1ccc(C(=O)N[C@H](C)c2nc(C)c[nH]2)cc1OC1CCN(C(C)C)CC1 ZINC000095525427 559086001 /nfs/dbraw/zinc/08/60/01/559086001.db2.gz BNXMSMDGFGFJQM-MRXNPFEDSA-N 0 3 400.523 3.469 50 0 HGAAHN CNC(=O)[C@@H]1C[C@H](NCc2ccccc2C(F)(F)F)CN1C1Cc2ccccc2C1 ZINC000023362116 559173239 /nfs/dbraw/zinc/17/32/39/559173239.db2.gz SIGWDVFQFCBLEI-RXVVDRJESA-N 0 3 417.475 3.151 50 0 HGAAHN O=S(=O)(NCC1CCN([C@@H]2CCSC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000225574157 559189566 /nfs/dbraw/zinc/18/95/66/559189566.db2.gz PJURXXKJXGNCQE-CQSZACIVSA-N 0 3 424.510 3.081 50 0 HGAAHN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccccc2F)N(CCCN(C)C)C1=O ZINC000005345694 560570008 /nfs/dbraw/zinc/57/00/08/560570008.db2.gz ADOXXQRJSCSICC-FQEVSTJZSA-N 0 3 410.445 3.438 50 0 HGAAHN COc1ccc([C@H](CNC(=O)CNC(=O)c2cccc(Cl)c2)N2CCCC2)cc1 ZINC000017911791 560730518 /nfs/dbraw/zinc/73/05/18/560730518.db2.gz YVYDHSGVSFRUET-FQEVSTJZSA-N 0 3 415.921 3.032 50 0 HGAAHN COc1ccc(-c2noc3c(O)n(-c4ccc5ccccc5c4)c(O)c23)cc1OC ZINC000102886367 560834215 /nfs/dbraw/zinc/83/42/15/560834215.db2.gz FKCWRXQHFQSHKJ-PZJWPPBQSA-N 0 3 402.406 3.150 50 0 HGAAHN O=C(Nc1ccc(F)cc1)NC1CCN(CCCc2nnnn2-c2ccccc2)CC1 ZINC000048232211 568433438 /nfs/dbraw/zinc/43/34/38/568433438.db2.gz VSAUJESMWHEAFQ-UHFFFAOYSA-N 0 3 423.496 3.020 50 0 HGAAHN CCOC(=O)c1ccc(S(=O)(=O)N(CCN(CC)CC)Cc2cccs2)cc1 ZINC000048374777 568442656 /nfs/dbraw/zinc/44/26/56/568442656.db2.gz AZIZJXVEWPQOSX-UHFFFAOYSA-N 0 3 424.588 3.458 50 0 HGAAHN CSc1cccc(NC(=O)C2CC(=O)Nc3c2c(=O)[nH]c(=O)n3CCC(C)C)c1 ZINC000049551194 568452063 /nfs/dbraw/zinc/45/20/63/568452063.db2.gz ZUTOKBBCEPXYAW-CQSZACIVSA-N 0 3 416.503 3.019 50 0 HGAAHN O=C1C[C@H](c2ccc(Cl)cc2)[C@H](n2cncn2)C(=O)[C@H]1[C@H]1NCCc2ccccc21 ZINC000049581143 568452855 /nfs/dbraw/zinc/45/28/55/568452855.db2.gz NBBYHVVEXVSNGZ-YJMBLLCNSA-N 0 3 420.900 3.302 50 0 HGAAHN C=CC(=O)NCc1ccc(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000261489598 568512229 /nfs/dbraw/zinc/51/22/29/568512229.db2.gz YPZMULKUINXMRG-XUZZJYLKSA-N 0 3 421.541 3.310 50 0 HGAAHN CCOC(=O)C1=C(CNCCc2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020283118 568596748 /nfs/dbraw/zinc/59/67/48/568596748.db2.gz YQMGEGVFZQMBOJ-HXUWFJFHSA-N 0 3 413.905 3.343 50 0 HGAAHN CCOC(=O)C1C(CNCCc2ccc(Cl)cc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000020283118 568596750 /nfs/dbraw/zinc/59/67/50/568596750.db2.gz YQMGEGVFZQMBOJ-HXUWFJFHSA-N 0 3 413.905 3.343 50 0 HGAAHN C[C@@H]1C[C@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)CCN1Cc1ccccc1 ZINC000095408975 568606532 /nfs/dbraw/zinc/60/65/32/568606532.db2.gz RIQLCABSCOHFIC-TZIWHRDSSA-N 0 3 421.541 3.362 50 0 HGAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CNCCN2CCC(O)CC2)c(F)c1 ZINC000020450265 568608663 /nfs/dbraw/zinc/60/86/63/568608663.db2.gz ZBXJXDGNSUICKA-UHFFFAOYSA-N 0 3 424.520 3.233 50 0 HGAAHN CCc1cc(N(CC)CC)nc(SCc2cccc(C(=O)NCCN(C)C)c2)n1 ZINC000096211153 568704753 /nfs/dbraw/zinc/70/47/53/568704753.db2.gz UUYJBOQTCUYBKU-UHFFFAOYSA-N 0 3 415.607 3.469 50 0 HGAAHN CCN1CCN(CCCNc2ncnc3onc(-c4cccc(Cl)c4)c32)CC1 ZINC000021714528 568748845 /nfs/dbraw/zinc/74/88/45/568748845.db2.gz KRANQIIYWHDVKZ-UHFFFAOYSA-N 0 3 400.914 3.378 50 0 HGAAHN CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000021868578 568756062 /nfs/dbraw/zinc/75/60/62/568756062.db2.gz GBZXFVPLPWYPGM-UHFFFAOYSA-N 0 3 408.882 3.024 50 0 biogenic HGAAHN CN(C)[C@H](CNC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000096593071 568763329 /nfs/dbraw/zinc/76/33/29/568763329.db2.gz FEAMZJKALXCEPB-OILJVOJPSA-N 0 3 405.542 3.358 50 0 HGAAHN CN1c2cc(C(=O)N3CCN(C4CCCCC4)CC3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097077459 568767293 /nfs/dbraw/zinc/76/72/93/568767293.db2.gz VTFFVDBTVSQNDF-QFIPXVFZSA-N 0 3 410.562 3.179 50 0 HGAAHN COC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000057414192 568833365 /nfs/dbraw/zinc/83/33/65/568833365.db2.gz USYQTEPNQGYTFN-QHCPKHFHSA-N 0 3 419.525 3.422 50 0 HGAAHN CCN1CCN(c2ccc(NC(=O)N(C)Cc3ccc(C(=O)NC)cc3)cc2C)CC1 ZINC000057861446 568864264 /nfs/dbraw/zinc/86/42/64/568864264.db2.gz JTKJASUGGPPTNN-UHFFFAOYSA-N 0 3 423.561 3.160 50 0 HGAAHN CN(Cc1ccon1)Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000012612831 568871754 /nfs/dbraw/zinc/87/17/54/568871754.db2.gz KUBNZQAZINIPSB-HSZRJFAPSA-N 0 3 407.514 3.105 50 0 HGAAHN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000003290525 568873573 /nfs/dbraw/zinc/87/35/73/568873573.db2.gz JTVNYAMWDNPQQZ-QUCCMNQESA-N 0 3 403.473 3.138 50 0 HGAAHN CCOC(=O)c1csc(N2NC(C=Cc3ccco3)=C[C@]2(O)C(F)(F)F)n1 ZINC000001411801 568931387 /nfs/dbraw/zinc/93/13/87/568931387.db2.gz JZHRPROKUYABGS-NFAHFFEMSA-N 0 3 401.366 3.443 50 0 HGAAHN CC(C)Nc1nnc(SCC(=O)NC2CCN(Cc3ccccc3)CC2)s1 ZINC000012757468 568943295 /nfs/dbraw/zinc/94/32/95/568943295.db2.gz UJAMDVJQIVNCJT-UHFFFAOYSA-N 0 3 405.593 3.231 50 0 HGAAHN CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)ccc1O ZINC000008254280 568985451 /nfs/dbraw/zinc/98/54/51/568985451.db2.gz LOTOVNLGYVCQDH-NRFANRHFSA-N 0 3 422.481 3.394 50 0 HGAAHN CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC000015773330 568998990 /nfs/dbraw/zinc/99/89/90/568998990.db2.gz FRZPOGFYPZTOPK-DEOSSOPVSA-N 0 3 405.542 3.035 50 0 HGAAHN COc1ccc([C@H]2CCCCCN2CC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000012912273 569021882 /nfs/dbraw/zinc/02/18/82/569021882.db2.gz OVLKRBIZQIAQOJ-JOCHJYFZSA-N 0 3 408.546 3.356 50 0 HGAAHN Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCCN3CCCCC3)C2)nn1 ZINC000035398002 569035043 /nfs/dbraw/zinc/03/50/43/569035043.db2.gz SWYRECDFYGAFTD-FQEVSTJZSA-N 0 3 407.562 3.271 50 0 HGAAHN CSCC[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@@]2(N1)c1ccccc1N(C)C2=O ZINC000227305941 569039987 /nfs/dbraw/zinc/03/99/87/569039987.db2.gz APWAKIVXOCBAOL-NRJQMVOHSA-N 0 3 413.518 3.367 50 0 HGAAHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCCn2nnc(-c3ccccc3)n2)C1 ZINC000228304429 569040217 /nfs/dbraw/zinc/04/02/17/569040217.db2.gz QFUNEIXGZALZOI-GHTZIAJQSA-N 0 3 404.518 3.072 50 0 HGAAHN CN(C)CCNC(=O)[C@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C ZINC000006363857 569045997 /nfs/dbraw/zinc/04/59/97/569045997.db2.gz BDCTYTCNIRVWSR-WBVHZDCISA-N 0 3 413.971 3.369 50 0 HGAAHN COc1ccc(-c2csc(NC(=O)C3=CC4C=CC=C[C@@H]4OC3=O)n2)c(OC)c1 ZINC000006441391 569052807 /nfs/dbraw/zinc/05/28/07/569052807.db2.gz PYEVZSXBSYBGFU-PXAZEXFGSA-N 0 3 410.451 3.360 50 0 HGAAHN COc1ccc(-c2csc(NC(=O)C3=CC4C=CC=C[C@H]4OC3=O)n2)c(OC)c1 ZINC000006441392 569052818 /nfs/dbraw/zinc/05/28/18/569052818.db2.gz PYEVZSXBSYBGFU-SJKOYZFVSA-N 0 3 410.451 3.360 50 0 HGAAHN CCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000462257833 569052903 /nfs/dbraw/zinc/05/29/03/569052903.db2.gz JPYYPXAXVLDHOX-OXQOHEQNSA-N 0 3 401.532 3.122 50 0 HGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000135644459 569053580 /nfs/dbraw/zinc/05/35/80/569053580.db2.gz CSAGVHLTZREPBO-FDFHNCONSA-N 0 3 416.433 3.452 50 0 HGAAHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C1=O ZINC000239284784 569054098 /nfs/dbraw/zinc/05/40/98/569054098.db2.gz CAUKAGFZMJWBNQ-BHIFYINESA-N 0 3 416.433 3.452 50 0 HGAAHN CN(C)CCNc1nc2nn(-c3cccc(F)c3)c(N)c2c(-c2ccc(F)cc2)n1 ZINC000035930137 569066700 /nfs/dbraw/zinc/06/67/00/569066700.db2.gz OQKMCJURBUOOAI-UHFFFAOYSA-N 0 3 409.444 3.316 50 0 HGAAHN CCc1ccc(CN2CCc3c(C(=O)NC(C)(C)CN(C)C)csc3C2)nc1 ZINC000426582866 569073536 /nfs/dbraw/zinc/07/35/36/569073536.db2.gz RHYSAAQEZHGAAE-UHFFFAOYSA-N 0 3 400.592 3.334 50 0 HGAAHN CCOC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)CC(C)C ZINC000036249796 569119199 /nfs/dbraw/zinc/11/91/99/569119199.db2.gz GDDLKVRLMZTFTQ-HXUWFJFHSA-N 0 3 417.550 3.034 50 0 HGAAHN CCOC[C@H](O)CN(CCCOC)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036312944 569133054 /nfs/dbraw/zinc/13/30/54/569133054.db2.gz RFPPXSBNCXSCGQ-HXUWFJFHSA-N 0 3 417.550 3.178 50 0 HGAAHN Cc1ccc(C(=O)N2[C@@H](C3CCCCC3)SC[C@@H]2C(=O)NCCN(C)C)cc1 ZINC000006838350 569149609 /nfs/dbraw/zinc/14/96/09/569149609.db2.gz URVPKNCRRFHEBR-DENIHFKCSA-N 0 3 403.592 3.137 50 0 HGAAHN CCc1ccc(-n2nnc(C(=O)NCCN3CCCCC3)c2-c2ccncc2)cc1 ZINC000065083379 569172886 /nfs/dbraw/zinc/17/28/86/569172886.db2.gz RZOAPXYILXIGEF-UHFFFAOYSA-N 0 3 404.518 3.107 50 0 HGAAHN CCc1nc2c(c(=O)n1CC(=O)Nc1cccc(F)c1)CN(Cc1ccccc1)CC2 ZINC000065153575 569187484 /nfs/dbraw/zinc/18/74/84/569187484.db2.gz VFIIUIGGNXXBRV-UHFFFAOYSA-N 0 3 420.488 3.142 50 0 HGAAHN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000089791053 569266288 /nfs/dbraw/zinc/26/62/88/569266288.db2.gz IXXGBLUGLVDKAX-FGZHOGPDSA-N 0 3 411.521 3.361 50 0 HGAAHN COc1ccc(-n2nc3nc(NCCN(C)C)nc(-c4cccc(F)c4)c3c2N)cc1 ZINC000037359730 569283483 /nfs/dbraw/zinc/28/34/83/569283483.db2.gz MVFSIWNOFMAJBV-UHFFFAOYSA-N 0 3 421.480 3.186 50 0 HGAAHN COc1cccc(-c2nc(NCCN(C)C)nc3nn(-c4ccccc4)c(N)c32)c1 ZINC000037360607 569283616 /nfs/dbraw/zinc/28/36/16/569283616.db2.gz RLKRVLHUMWWEOK-UHFFFAOYSA-N 0 3 403.490 3.047 50 0 HGAAHN FC(F)(F)c1cccc(N2CCN(C3CCN(C[C@@H]4CCCCO4)CC3)CC2)n1 ZINC000252490647 569289683 /nfs/dbraw/zinc/28/96/83/569289683.db2.gz KYKQZGWIVCJMIX-SFHVURJKSA-N 0 3 412.500 3.256 50 0 HGAAHN CCN1CCC[C@H]1CNc1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1 ZINC000069378619 571224860 /nfs/dbraw/zinc/22/48/60/571224860.db2.gz ZKHNCMVQSOSSNY-KRWDZBQOSA-N 0 3 420.604 3.419 50 0 HGAAHN COc1cc(OC)cc(C(=O)N2CCC(N3CCN(c4ccccc4)CC3)CC2)c1 ZINC000001143949 132238945 /nfs/dbraw/zinc/23/89/45/132238945.db2.gz IDRQXQMNQBYCIJ-UHFFFAOYSA-N 0 3 409.530 3.131 50 0 HGAAHN COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000002261337 132250774 /nfs/dbraw/zinc/25/07/74/132250774.db2.gz WSOFKFVRGJLDLK-UHFFFAOYSA-N 0 3 424.476 3.244 50 0 HGAAHN CN(C)CCNC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21 ZINC000004932913 132296253 /nfs/dbraw/zinc/29/62/53/132296253.db2.gz LIOYOHVQSVBNFW-CPNJWEJPSA-N 0 3 415.946 3.498 50 0 HGAAHN Cc1nc(SCC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)n[nH]1 ZINC000012588703 132364678 /nfs/dbraw/zinc/36/46/78/132364678.db2.gz GGTZCZAEWPFYOL-UHFFFAOYSA-N 0 3 422.558 3.166 50 0 HGAAHN CN(C)[C@@H](CNC(=O)c1ccccc1I)Cc1ccccc1 ZINC000042671968 522025496 /nfs/dbraw/zinc/02/54/96/522025496.db2.gz XATXJZVIYHNBSR-OAHLLOKOSA-N 0 3 408.283 3.194 50 0 HGAAHN COC(=O)c1ccc(OC[C@H](O)CN(C)Cc2ccccc2N2CCCCC2)cc1 ZINC000032843150 522144573 /nfs/dbraw/zinc/14/45/73/522144573.db2.gz GJAWODLPEKHSDA-OAQYLSRUSA-N 0 3 412.530 3.335 50 0 HGAAHN CN1CCC(NC(=O)c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000040355594 523775234 /nfs/dbraw/zinc/77/52/34/523775234.db2.gz MRUQHUBJSWXDLT-UHFFFAOYSA-N 0 3 412.437 3.238 50 0 HGAAHN Cc1cc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)oc1C ZINC000020598433 524689219 /nfs/dbraw/zinc/68/92/19/524689219.db2.gz DBIWBZFJXPDZHZ-NRFANRHFSA-N 0 3 411.546 3.407 50 0 HGAAHN Cc1cccc2c(=O)n(CCCC(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)cnc12 ZINC000032912079 524926538 /nfs/dbraw/zinc/92/65/38/524926538.db2.gz JNYXSSIQONWVBN-OAQYLSRUSA-N 0 3 418.541 3.266 50 0 HGAAHN Cc1ccc(N2C[C@@H](C(=O)NCCCN3CCc4ccccc4C3)CC2=O)cc1F ZINC000032400947 524979727 /nfs/dbraw/zinc/97/97/27/524979727.db2.gz ASYBDMMWEJHZPJ-FQEVSTJZSA-N 0 3 409.505 3.052 50 0 HGAAHN O=C(NCCSCc1ccsc1)C(=O)Nc1cccc(CN2CCCC2)c1 ZINC000032937327 526373260 /nfs/dbraw/zinc/37/32/60/526373260.db2.gz BQORNUUKMGZKJI-UHFFFAOYSA-N 0 3 403.573 3.332 50 0 HGAAHN O=C(CN1CCC[C@H](COCc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000056908423 526754916 /nfs/dbraw/zinc/75/49/16/526754916.db2.gz LEYMIFBWOPFBFO-QHCPKHFHSA-N 0 3 407.558 3.264 50 0 HGAAHN CCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(CC)CC3)cc2)c1 ZINC000004998401 535449238 /nfs/dbraw/zinc/44/92/38/535449238.db2.gz ANVAYIKACUYXRT-UHFFFAOYSA-N 0 3 412.559 3.354 50 0 HGAAHN CCOc1cc(Br)c(CNCCCN2CCOCC2)cc1OCC ZINC000002861710 557410252 /nfs/dbraw/zinc/41/02/52/557410252.db2.gz CMHHZCPOZJYHGI-UHFFFAOYSA-N 0 3 401.345 3.058 50 0 HGAAHN COCCN(C[C@@H]1CN(Cc2cccs2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000034740550 557443959 /nfs/dbraw/zinc/44/39/59/557443959.db2.gz BFMVLCFRMIGXQR-GHTZIAJQSA-N 0 3 420.550 3.224 50 0 HGAAHN CCc1ccc(N2C[C@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)cc1 ZINC000034916342 557482361 /nfs/dbraw/zinc/48/23/61/557482361.db2.gz JCSIHZHRPNDCRM-OAQYLSRUSA-N 0 3 405.542 3.383 50 0 HGAAHN CCCCOc1c(Br)cc(CNCCCN2CCOCC2)cc1OC ZINC000004670860 557579341 /nfs/dbraw/zinc/57/93/41/557579341.db2.gz WCCQTVAMVQMWQG-UHFFFAOYSA-N 0 3 415.372 3.449 50 0 HGAAHN CCN(CC)CCNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000004795717 557598649 /nfs/dbraw/zinc/59/86/49/557598649.db2.gz BCFLDZAFEPVESU-UHFFFAOYSA-N 0 3 404.580 3.007 50 0 HGAAHN Cc1cccc(-c2noc(CS(=O)(=O)C(C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)n2)c1 ZINC000046176722 557843914 /nfs/dbraw/zinc/84/39/14/557843914.db2.gz LPJNKQHHPWMHDS-LISAXSMJSA-N 0 3 419.547 3.289 50 0 HGAAHN COc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1Br ZINC000010111251 557855234 /nfs/dbraw/zinc/85/52/34/557855234.db2.gz QQCFUBVBNNZJFR-UHFFFAOYSA-N 0 3 405.358 3.002 50 0 HGAAHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)/C=C/c3cccnc3)C2)cc1OC ZINC000011662283 558266143 /nfs/dbraw/zinc/26/61/43/558266143.db2.gz WJYQKAGEEKHMHC-ZUURVNMSSA-N 0 3 409.530 3.278 50 0 HGAAHN COc1cccc(CCC(=O)NC[C@@H]2CCC3(CCN(Cc4ccncc4)CC3)O2)c1 ZINC000011790200 558277178 /nfs/dbraw/zinc/27/71/78/558277178.db2.gz WHNLOPIZBXUDON-QHCPKHFHSA-N 0 3 423.557 3.353 50 0 HGAAHN CSCCCNCc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2ccc(Cl)cn21 ZINC000011819430 558282755 /nfs/dbraw/zinc/28/27/55/558282755.db2.gz RVNLQLVTSKHQCP-OKILXGFUSA-N 0 3 410.971 3.080 50 0 HGAAHN O=C(NCc1ncc[nH]1)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000011820164 558283249 /nfs/dbraw/zinc/28/32/49/558283249.db2.gz KHQFEDPXFFEGNZ-UHFFFAOYSA-N 0 3 404.514 3.426 50 0 HGAAHN COc1ccc(/C=C/CN2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)cc1 ZINC000011869760 558290120 /nfs/dbraw/zinc/29/01/20/558290120.db2.gz JMFWMFMHLHLKFD-YAQIIAKESA-N 0 3 411.550 3.082 50 0 HGAAHN C[C@@]1(C2CCN(Cc3ccccc3)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O ZINC000011966521 558304282 /nfs/dbraw/zinc/30/42/82/558304282.db2.gz SYJZHSCGDOCLOJ-VWLOTQADSA-N 0 3 403.526 3.377 50 0 HGAAHN CN1CCN(C2(CNC(=O)COc3ccc(C(C)(C)C)cc3)CCCCC2)CC1 ZINC000019902160 558305299 /nfs/dbraw/zinc/30/52/99/558305299.db2.gz OGTCJNIYDGPIOD-UHFFFAOYSA-N 0 3 401.595 3.429 50 0 HGAAHN CC(C)=CCC[C@H](C)CN1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1 ZINC000012034754 558311630 /nfs/dbraw/zinc/31/16/30/558311630.db2.gz XKEWMCNIGWGSMH-FQEVSTJZSA-N 0 3 409.578 3.378 50 0 HGAAHN COc1ccc(-n2cc(CN[C@H]3CCCCNC3=O)c(-c3cccc(F)c3)n2)cc1 ZINC000012074312 558319225 /nfs/dbraw/zinc/31/92/25/558319225.db2.gz MTTAOBGPKJSZFX-NRFANRHFSA-N 0 3 408.477 3.445 50 0 HGAAHN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(CCCn3cccn3)CC2)c1 ZINC000012075483 558319679 /nfs/dbraw/zinc/31/96/79/558319679.db2.gz ABGHGCKKXFTRMG-UHFFFAOYSA-N 0 3 412.534 3.061 50 0 HGAAHN CCN1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(OC)c2)C1=O ZINC000020503692 558381379 /nfs/dbraw/zinc/38/13/79/558381379.db2.gz WIQCTYVOLAHKEM-IPEVAPCJSA-N 0 3 405.498 3.297 50 0 HGAAHN COc1cccc(CN2C[C@@H]3C[C@@H](c4ccc(O)c(OC)c4)N4CCC[C@@]34C2=O)c1 ZINC000012430424 558405205 /nfs/dbraw/zinc/40/52/05/558405205.db2.gz IYOAEJZYQVVOHF-WXVUKLJWSA-N 0 3 408.498 3.347 50 0 HGAAHN COc1ccccc1-n1cc(C(=O)N[C@@H]2CCCN(C3Cc4ccccc4C3)C2)cn1 ZINC000012439134 558410550 /nfs/dbraw/zinc/41/05/50/558410550.db2.gz WVPMMJRBOAYFQN-OAQYLSRUSA-N 0 3 416.525 3.243 50 0 HGAAHN COc1ccc(-c2nn(-c3ccccc3F)cc2CN[C@H]2CCCCNC2=O)cc1 ZINC000020906465 558421205 /nfs/dbraw/zinc/42/12/05/558421205.db2.gz GNDLHTLKBPBSBC-FQEVSTJZSA-N 0 3 408.477 3.445 50 0 HGAAHN CC(C)/C=C/C(=O)N1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 ZINC000012712304 558453370 /nfs/dbraw/zinc/45/33/70/558453370.db2.gz ITYSMBYNVNKSEG-VMPITWQZSA-N 0 3 421.969 3.213 50 0 HGAAHN COc1ccc([C@@H](CNC(=O)CCc2nnc(-c3ccsc3)o2)N(C)C)cc1 ZINC000023178149 558540597 /nfs/dbraw/zinc/54/05/97/558540597.db2.gz NYYOSVUNJLESAM-QGZVFWFLSA-N 0 3 400.504 3.158 50 0 HGAAHN COc1cccc(C(=O)[C@H]2CCCN(Cc3cn(CC(N)=O)c4ccccc34)C2)c1 ZINC000013596363 558547154 /nfs/dbraw/zinc/54/71/54/558547154.db2.gz KZFSKBBILKNKIG-SFHVURJKSA-N 0 3 405.498 3.230 50 0 HGAAHN O=C(CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000023382173 558555723 /nfs/dbraw/zinc/55/57/23/558555723.db2.gz MJDGPMHOMUSZCU-IFXJQAMLSA-N 0 3 408.433 3.271 50 0 HGAAHN CN(C)CCNC(=O)COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 ZINC000013729230 558585852 /nfs/dbraw/zinc/58/58/52/558585852.db2.gz CSONQQSLUIKDLX-UHFFFAOYSA-N 0 3 400.862 3.170 50 0 HGAAHN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)NCCN(C)C ZINC000013945782 558606922 /nfs/dbraw/zinc/60/69/22/558606922.db2.gz OKWUGBOYCWINFD-HSZRJFAPSA-N 0 3 404.514 3.089 50 0 HGAAHN CCN(CC)S(=O)(=O)c1ccc(NC2CCN(Cc3ccccc3)CC2)nc1 ZINC000025436620 558640891 /nfs/dbraw/zinc/64/08/91/558640891.db2.gz MHIYIOCEGBYEOT-UHFFFAOYSA-N 0 3 402.564 3.189 50 0 HGAAHN CCCn1nc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c2ccccc2c1=O ZINC000014248902 558649125 /nfs/dbraw/zinc/64/91/25/558649125.db2.gz HVVWZHAMXBQYJB-OAQYLSRUSA-N 0 3 404.514 3.373 50 0 HGAAHN CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CCN([C@@H](C)COC)CC2 ZINC000014532781 558656874 /nfs/dbraw/zinc/65/68/74/558656874.db2.gz BYDBKGLAOFXLQF-SFHVURJKSA-N 0 3 409.530 3.493 50 0 HGAAHN COC[C@H](C)N1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccccc1 ZINC000014542948 558660848 /nfs/dbraw/zinc/66/08/48/558660848.db2.gz DPURBZXYFFQENI-IBGZPJMESA-N 0 3 401.551 3.019 50 0 HGAAHN COc1ccc(CCN(C)C(=O)CCN2Cc3ccccc3O[C@@H](C)C2)cc1OC ZINC000014974857 558688846 /nfs/dbraw/zinc/68/88/46/558688846.db2.gz ICWGGEUJSCDXDT-SFHVURJKSA-N 0 3 412.530 3.378 50 0 HGAAHN CCc1ccc(CN2CCc3nnc(CNC(=O)c4cc(C)oc4C)n3CC2)cc1 ZINC000014981660 558691878 /nfs/dbraw/zinc/69/18/78/558691878.db2.gz DMLZCJNMZOYZDE-UHFFFAOYSA-N 0 3 407.518 3.039 50 0 HGAAHN COc1ccc(OCc2cc(C(=O)N3CCN4CCC[C@H]4C3)no2)c2ccccc12 ZINC000015064170 558706984 /nfs/dbraw/zinc/70/69/84/558706984.db2.gz IYCMHVWVVFNTGX-INIZCTEOSA-N 0 3 407.470 3.336 50 0 HGAAHN O[C@H](COc1ccccc1CNCc1ccc(F)cc1F)CN1CCSCC1 ZINC000015067206 558710097 /nfs/dbraw/zinc/71/00/97/558710097.db2.gz GCICBRYAZVZGSU-IBGZPJMESA-N 0 3 408.514 3.043 50 0 HGAAHN c1cc(-c2nc3ccccc3s2)oc1CNC[C@H]([C@H]1CCOC1)N1CCOCC1 ZINC000030666077 558735448 /nfs/dbraw/zinc/73/54/48/558735448.db2.gz BRLLBEUFWOPHSD-QFBILLFUSA-N 0 3 413.543 3.383 50 0 HGAAHN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(SCCN3CCCCC3)nc2)C1 ZINC000033115226 558761292 /nfs/dbraw/zinc/76/12/92/558761292.db2.gz LURXJIBHSOLZMB-GOSISDBHSA-N 0 3 405.564 3.075 50 0 HGAAHN CC(C)(O)CN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)C1CCOCC1 ZINC000072308460 558769376 /nfs/dbraw/zinc/76/93/76/558769376.db2.gz NZGDEOIJDUVBHC-UHFFFAOYSA-N 0 3 403.567 3.257 50 0 HGAAHN Cn1c2ccc([C@@H](O)COc3ccc(CNCc4ccccc4)cc3)cc2n(C)c1=O ZINC000016363942 558788465 /nfs/dbraw/zinc/78/84/65/558788465.db2.gz KIGAGINDZIJYTA-DEOSSOPVSA-N 0 3 417.509 3.279 50 0 HGAAHN C[C@@H]1CCCCN1CCNC(=O)c1cccc(NC(=O)c2nnc(C3CC3)s2)c1 ZINC000033023052 558839341 /nfs/dbraw/zinc/83/93/41/558839341.db2.gz OAWNUHNYLWSKDH-CQSZACIVSA-N 0 3 413.547 3.272 50 0 HGAAHN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCCN3CCCCCC3)C2)s1 ZINC000033078422 558867973 /nfs/dbraw/zinc/86/79/73/558867973.db2.gz YQLGSSCPUFOVQY-KRWDZBQOSA-N 0 3 415.607 3.462 50 0 HGAAHN NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)c3csc(Br)c3)cc2)C1 ZINC000058306543 558918250 /nfs/dbraw/zinc/91/82/50/558918250.db2.gz NRAIGUCVOCLSJB-CYBMUJFWSA-N 0 3 422.348 3.460 50 0 HGAAHN NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000058441015 558927536 /nfs/dbraw/zinc/92/75/36/558927536.db2.gz LZNPGQMLAIHTNU-SFHVURJKSA-N 0 3 403.486 3.026 50 0 HGAAHN CCOc1ccccc1NC(=O)N1CCN(c2cc(N3CCCC3)nc(C)n2)CC1 ZINC000072434106 558979635 /nfs/dbraw/zinc/97/96/35/558979635.db2.gz OPOWGELHZZSRAE-UHFFFAOYSA-N 0 3 410.522 3.138 50 0 HGAAHN CN(C)CCOc1cccc2c1c(NC(=O)c1ccon1)nn2-c1cccc(F)c1 ZINC000072453599 558982910 /nfs/dbraw/zinc/98/29/10/558982910.db2.gz XESVZDFJPZNTHV-UHFFFAOYSA-N 0 3 409.421 3.345 50 0 HGAAHN Cc1nc2cc(OCc3nc(C(=O)N(C)C[C@@H]4CCN(C)C4)co3)ccc2s1 ZINC000091416794 559071551 /nfs/dbraw/zinc/07/15/51/559071551.db2.gz UPPITVSSPAIALS-CQSZACIVSA-N 0 3 400.504 3.195 50 0 HGAAHN CNCC(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000091694490 559073083 /nfs/dbraw/zinc/07/30/83/559073083.db2.gz IMNQBBQRBZZHEG-QFIPXVFZSA-N 0 3 413.521 3.360 50 0 HGAAHN CCCc1nc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)cs1 ZINC000095521409 559085294 /nfs/dbraw/zinc/08/52/94/559085294.db2.gz ZFMLHJMCRBMJSC-UHFFFAOYSA-N 0 3 401.580 3.464 50 0 HGAAHN COc1ccc(C(=O)NCc2c(C)noc2C)cc1OC1CCN(C(C)C)CC1 ZINC000095526983 559086168 /nfs/dbraw/zinc/08/61/68/559086168.db2.gz NFIBXOHXDFLSIC-UHFFFAOYSA-N 0 3 401.507 3.482 50 0 HGAAHN CN(C)[C@@H](CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Cc1ccccc1 ZINC000011603681 559113165 /nfs/dbraw/zinc/11/31/65/559113165.db2.gz VRYDKPWOVSCXOR-APWZRJJASA-N 0 3 417.962 3.432 50 0 HGAAHN CN(CCCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12)Cc1ccccc1 ZINC000005067699 559240138 /nfs/dbraw/zinc/24/01/38/559240138.db2.gz UFLLEYJPQFADLZ-UHFFFAOYSA-N 0 3 421.541 3.336 50 0 HGAAHN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NCCN3CCCC3)c(C)c12 ZINC000005150829 559253707 /nfs/dbraw/zinc/25/37/07/559253707.db2.gz AGWPXTPAVGOYRY-UHFFFAOYSA-N 0 3 405.546 3.490 50 0 HGAAHN O=C1C[C@@H](c2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 ZINC000169355462 560763118 /nfs/dbraw/zinc/76/31/18/560763118.db2.gz YACGSFQFKLDZPH-UVUJQTEASA-N 0 3 420.900 3.302 50 0 HGAAHN COCCN(C[C@@H]1CN(Cc2ccc(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000105050259 560860803 /nfs/dbraw/zinc/86/08/03/560860803.db2.gz RFSADAQIBLDOOY-SIKLNZKXSA-N 0 3 418.509 3.064 50 0 HGAAHN CCN1CCN(Cc2ccccc2CNC(=O)Cc2c(C)[nH]c3ccccc32)CC1 ZINC000049734242 568453196 /nfs/dbraw/zinc/45/31/96/568453196.db2.gz JWXMTWHOZXVYLC-UHFFFAOYSA-N 0 3 404.558 3.473 50 0 HGAAHN Cc1ccccc1CN1CCC(NC(=O)COc2ccc(N3CCCC3=O)cc2)CC1 ZINC000095360823 568601883 /nfs/dbraw/zinc/60/18/83/568601883.db2.gz MVKAYLFFMNAOJW-UHFFFAOYSA-N 0 3 421.541 3.281 50 0 HGAAHN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C5CCCCC5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020411335 568605168 /nfs/dbraw/zinc/60/51/68/568605168.db2.gz FXYPTAKKGKQTFF-DHRDOYSISA-N 0 3 416.606 3.222 50 0 biogenic HGAAHN CCOc1ccc(CN(Cc2nc(C(=O)NCCN(C)C)co2)[C@@H](C)C(C)C)cc1 ZINC000096280016 568717707 /nfs/dbraw/zinc/71/77/07/568717707.db2.gz GVEXEDMRJYINQV-SFHVURJKSA-N 0 3 416.566 3.411 50 0 HGAAHN Cc1cccc(-n2c(CC(=O)NCCN3CCCC[C@@H]3C)c3[nH]cccc-3c2=O)c1 ZINC000096387073 568743955 /nfs/dbraw/zinc/74/39/55/568743955.db2.gz FQVWUWPKZYEKMO-RXVVDRJESA-N 0 3 406.530 3.472 50 0 HGAAHN C[C@]1(C(=O)NC2CCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CCN1CCCC1 ZINC000021864160 568755684 /nfs/dbraw/zinc/75/56/84/568755684.db2.gz ROQDCBPFFRQJJG-XMMPIXPASA-N 0 3 424.545 3.117 50 0 HGAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Cn1nnc(-c2ccccc2Cl)n1 ZINC000000974313 568759384 /nfs/dbraw/zinc/75/93/84/568759384.db2.gz SSDCVOWMGCLSRS-PXNSSMCTSA-N 0 3 422.920 3.136 50 0 HGAAHN CCN1CCN(CCCNC(=O)c2cc(-c3ccccn3)nc3ccccc32)CC1 ZINC000021934131 568761881 /nfs/dbraw/zinc/76/18/81/568761881.db2.gz WONYGYXYSPDDJX-UHFFFAOYSA-N 0 3 403.530 3.054 50 0 HGAAHN O=C1NC[C@@H](NC2CCN(Cc3ccccc3)CC2)n2nc(-c3cccs3)cc21 ZINC000263619139 568912232 /nfs/dbraw/zinc/91/22/32/568912232.db2.gz XDZCFNKIWDSGPS-NRFANRHFSA-N 0 3 407.543 3.108 50 0 HGAAHN CN(C)CCSCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000083851138 568919746 /nfs/dbraw/zinc/91/97/46/568919746.db2.gz KJAPETZJLBSHBF-UHFFFAOYSA-N 0 3 412.603 3.242 50 0 HGAAHN COCCN(C)CC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1F)c1ccccc1 ZINC000083859402 568921381 /nfs/dbraw/zinc/92/13/81/568921381.db2.gz WTGNMFGTFPEIHA-GOSISDBHSA-N 0 3 421.900 3.243 50 0 HGAAHN CCc1ccc([C@H](CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)N(C)C)cc1 ZINC000012745553 568931150 /nfs/dbraw/zinc/93/11/50/568931150.db2.gz PILMHKQQMRAWJD-RPWUZVMVSA-N 0 3 420.557 3.197 50 0 HGAAHN O=C(NC[C@H](c1ccccc1)N1CCCCCC1)c1ccc(Cn2cnnn2)cc1 ZINC000670462003 568953102 /nfs/dbraw/zinc/95/31/02/568953102.db2.gz GNZGWSDBSFUXFO-JOCHJYFZSA-N 0 3 404.518 3.069 50 0 HGAAHN COc1cccc(-n2ccnc2SCC(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000008342480 568993720 /nfs/dbraw/zinc/99/37/20/568993720.db2.gz QMBZJYRRLKULIK-FQEVSTJZSA-N 0 3 410.543 3.392 50 0 HGAAHN Cc1cccc(OC[C@@H](O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000012905282 569020964 /nfs/dbraw/zinc/02/09/64/569020964.db2.gz DLIONJIXNAEDCJ-SFHVURJKSA-N 0 3 409.452 3.361 50 0 HGAAHN CCc1ccc([C@@H](CNC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)N(C)C)cc1 ZINC000012909403 569021741 /nfs/dbraw/zinc/02/17/41/569021741.db2.gz VBSVXWMWHDGVOV-VWNXMTODSA-N 0 3 409.574 3.351 50 0 HGAAHN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)NCCN1CCCC1 ZINC000006200527 569031612 /nfs/dbraw/zinc/03/16/12/569031612.db2.gz CMOBQVFYJYZYPO-XMMPIXPASA-N 0 3 416.525 3.234 50 0 HGAAHN C[C@H]1CCCCN1CCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000035397963 569035065 /nfs/dbraw/zinc/03/50/65/569035065.db2.gz RVSLLEQIYSTXSK-PZJWPPBQSA-N 0 3 407.562 3.351 50 0 HGAAHN CN1CCN(CCCNCc2csc(-c3ncccn3)n2)[C@@H](c2ccccc2)C1 ZINC000229499376 569040555 /nfs/dbraw/zinc/04/05/55/569040555.db2.gz LBIUZDZNVAJWBL-HXUWFJFHSA-N 0 3 408.575 3.069 50 0 HGAAHN CCCN1CCN(c2nnc(-n3cccc3CNCc3ccccc3F)s2)CC1 ZINC000007002112 569051766 /nfs/dbraw/zinc/05/17/66/569051766.db2.gz DJRYQBJUKJRZCW-UHFFFAOYSA-N 0 3 414.554 3.290 50 0 HGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000239287403 569054125 /nfs/dbraw/zinc/05/41/25/569054125.db2.gz CSAGVHLTZREPBO-BHIFYINESA-N 0 3 416.433 3.452 50 0 HGAAHN COCCCN(Cc1cccc(OC)c1OC)C[C@H](O)COCc1ccccc1 ZINC000036097164 569090187 /nfs/dbraw/zinc/09/01/87/569090187.db2.gz RSKCGMIADNKZCZ-NRFANRHFSA-N 0 3 403.519 3.120 50 0 HGAAHN Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1-n1nnc2cccnc21 ZINC000064925557 569122853 /nfs/dbraw/zinc/12/28/53/569122853.db2.gz CSKDODBHGKIZJP-UHFFFAOYSA-N 0 3 404.518 3.214 50 0 HGAAHN CCCCC(=O)Nc1cnc(N2CCNCC2)c(C(=O)N(CC)Cc2ccccc2)c1 ZINC000065025380 569156358 /nfs/dbraw/zinc/15/63/58/569156358.db2.gz KSYZWDBYOZMJEE-UHFFFAOYSA-N 0 3 423.561 3.282 50 0 HGAAHN CCCCN1CCN(C(=O)CC[C@H]2CCCN(c3cc(NCCC)ncn3)C2)CC1 ZINC000065244853 569204776 /nfs/dbraw/zinc/20/47/76/569204776.db2.gz WVAVSMPZFLEEBX-HXUWFJFHSA-N 0 3 416.614 3.239 50 0 HGAAHN CCCNc1cc(N2CCC[C@@H](CCC(=O)NCCN3CCCCCC3)C2)ncn1 ZINC000065244909 569204811 /nfs/dbraw/zinc/20/48/11/569204811.db2.gz ZQPJLCJCJCJLQP-FQEVSTJZSA-N 0 3 416.614 3.287 50 0 HGAAHN CCc1ccc([C@H](CNC(=O)C[C@H](NC(N)=O)c2ccccc2Cl)N(C)C)cc1 ZINC000036748063 569226028 /nfs/dbraw/zinc/22/60/28/569226028.db2.gz UJXZBKJSNGALAL-PMACEKPBSA-N 0 3 416.953 3.421 50 0 HGAAHN CCc1ccc([C@@H](CNC(=O)C[C@H](NC(N)=O)c2ccccc2Cl)N(C)C)cc1 ZINC000036748061 569226061 /nfs/dbraw/zinc/22/60/61/569226061.db2.gz UJXZBKJSNGALAL-VQTJNVASSA-N 0 3 416.953 3.421 50 0 HGAAHN Cc1ccc(C)c(NC(=O)CSC2=N[C@H](c3c[nH]c4ccccc43)NC(=N)N2)c1 ZINC000013579117 569256374 /nfs/dbraw/zinc/25/63/74/569256374.db2.gz ABUJQLJDHRXLOA-LJQANCHMSA-N 0 3 406.515 3.429 50 0 HGAAHN CCN1CCN(c2ccc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)cc2)CC1 ZINC000014347787 569259570 /nfs/dbraw/zinc/25/95/70/569259570.db2.gz FYEQHDBUBJAHOZ-LJQANCHMSA-N 0 3 406.530 3.358 50 0 HGAAHN O=C(CCCc1nc2ccccc2c(=O)[nH]1)OCC1CCN(Cc2ccco2)CC1 ZINC000089866498 569267413 /nfs/dbraw/zinc/26/74/13/569267413.db2.gz GNDFDMDRFKNIDX-UHFFFAOYSA-N 0 3 409.486 3.294 50 0 HGAAHN Cc1nn(C)c(OCC(F)(F)F)c1CNCCC1CCN(CC(F)(F)F)CC1 ZINC000237752146 569281939 /nfs/dbraw/zinc/28/19/39/569281939.db2.gz NBRDNIGAFHAPEI-UHFFFAOYSA-N 0 3 416.410 3.424 50 0 HGAAHN Cc1cccc(-c2nc(NCCN(C)C)nc3nn(-c4cccc(F)c4)c(N)c32)c1 ZINC000037375929 569287919 /nfs/dbraw/zinc/28/79/19/569287919.db2.gz CAAQZTWVLOYVMW-UHFFFAOYSA-N 0 3 405.481 3.486 50 0 HGAAHN C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000252570425 569294294 /nfs/dbraw/zinc/29/42/94/569294294.db2.gz WSQBRNLMPJFREI-JBACZVJFSA-N 0 3 412.534 3.243 50 0 HGAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)NC4CCCCC4)CC3)C2)CC1 ZINC000581819744 569320756 /nfs/dbraw/zinc/32/07/56/569320756.db2.gz HNFYDLPIMNZPEP-JOCHJYFZSA-N 0 3 420.642 3.316 50 0 HGAAHN CC(C)N1CCN([C@H]2CCOC3(CCN(C(=O)c4ccc5[nH]ccc5c4)CC3)C2)CC1 ZINC000581819850 569320867 /nfs/dbraw/zinc/32/08/67/569320867.db2.gz OSJNYOSINXQSGE-QFIPXVFZSA-N 0 3 424.589 3.348 50 0 HGAAHN COCCN(CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000079024588 569424721 /nfs/dbraw/zinc/42/47/21/569424721.db2.gz VBXPKKYANUBTPK-QUCCMNQESA-N 0 3 419.566 3.039 50 0 HGAAHN CC1CCN(CCNC(=O)c2ccc(Cl)cc2I)CC1 ZINC000040121274 571177258 /nfs/dbraw/zinc/17/72/58/571177258.db2.gz ICWFCPYGWGXHFX-UHFFFAOYSA-N 0 3 406.695 3.406 50 0 HGAAHN CCOC(=O)C1C(CN2CC[C@@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000245276785 571222253 /nfs/dbraw/zinc/22/22/53/571222253.db2.gz WCLXLKQTPFXVDL-GCJKJVERSA-N 0 3 423.488 3.486 50 0 HGAAHN CCc1nc(C(=O)N2CC[C@@H](N3CCCC3)C2)nn1-c1c(Cl)cccc1Cl ZINC000069982361 571252584 /nfs/dbraw/zinc/25/25/84/571252584.db2.gz SPLUCSBYTLLQBN-CYBMUJFWSA-N 0 3 408.333 3.447 50 0 HGAAHN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000009836241 571287816 /nfs/dbraw/zinc/28/78/16/571287816.db2.gz WSXDPRDISNYBCL-OAQYLSRUSA-N 0 3 421.538 3.310 50 0 HGAAHN COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N(C)C)c1 ZINC000010333459 571300557 /nfs/dbraw/zinc/30/05/57/571300557.db2.gz JOBMVZHNTCAUQV-OAQYLSRUSA-N 0 3 421.497 3.215 50 0 HGAAHN COc1cccc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c1 ZINC000001179448 132240744 /nfs/dbraw/zinc/24/07/44/132240744.db2.gz BZKFDPXZEDASMT-UHFFFAOYSA-N 0 3 411.521 3.395 50 0 HGAAHN O=C1[C@@H]2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000002183636 132249128 /nfs/dbraw/zinc/24/91/28/132249128.db2.gz HVAZFJRSXVFBPC-IBGZPJMESA-N 0 3 404.942 3.059 50 0 HGAAHN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000005025077 132298792 /nfs/dbraw/zinc/29/87/92/132298792.db2.gz QVOQAYIXEPSHPE-UHFFFAOYSA-N 0 3 420.513 3.495 50 0 HGAAHN Cc1cc(CN2CCC(CNC(=O)C(=O)NCc3ccccc3Cl)CC2)c(C)o1 ZINC000043941121 524675099 /nfs/dbraw/zinc/67/50/99/524675099.db2.gz AWJSTPPVDRPEFQ-UHFFFAOYSA-N 0 3 417.937 3.194 50 0 HGAAHN COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N(C)C)cc1 ZINC000032593958 525185024 /nfs/dbraw/zinc/18/50/24/525185024.db2.gz OMRDYYXJULKBAJ-LJQANCHMSA-N 0 3 423.469 3.154 50 0 HGAAHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CNCCSc1ccc(C)c(C)c1 ZINC000032740421 526304114 /nfs/dbraw/zinc/30/41/14/526304114.db2.gz SGPVLTJHTWJPRE-GOSISDBHSA-N 0 3 407.605 3.358 50 0 HGAAHN O=C(Cn1cnc2c3ccccc3oc2c1=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000032217652 527400268 /nfs/dbraw/zinc/40/02/68/527400268.db2.gz KYNBRFQEHHOEKQ-LJQANCHMSA-N 0 3 416.481 3.096 50 0 HGAAHN COCCN(C[C@H]1CN(Cc2ccc(C)o2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000034740556 557444082 /nfs/dbraw/zinc/44/40/82/557444082.db2.gz RFSADAQIBLDOOY-KNQAVFIVSA-N 0 3 418.509 3.064 50 0 HGAAHN CCc1ccc(N2C[C@@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)cc1 ZINC000034916343 557482313 /nfs/dbraw/zinc/48/23/13/557482313.db2.gz JCSIHZHRPNDCRM-NRFANRHFSA-N 0 3 405.542 3.383 50 0 HGAAHN COc1cc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc(OC)c1OC ZINC000004178317 557525389 /nfs/dbraw/zinc/52/53/89/557525389.db2.gz BEOQFHFPFJDCED-UHFFFAOYSA-N 0 3 414.546 3.439 50 0 HGAAHN O=S(=O)(c1ccccc1)N(C[C@H](O)CN1CCCC1)c1cccc2ccccc21 ZINC000004525406 557563754 /nfs/dbraw/zinc/56/37/54/557563754.db2.gz JMGBHRRHDAICGD-HXUWFJFHSA-N 0 3 410.539 3.492 50 0 HGAAHN CN(Cc1cc(Br)cs1)C(=O)CN1CCN(C2CCCC2)CC1 ZINC000097477882 557811022 /nfs/dbraw/zinc/81/10/22/557811022.db2.gz PSJKRFLPATVYIE-UHFFFAOYSA-N 0 3 400.386 3.029 50 0 HGAAHN Cc1cc(C(=O)NC[C@@H]2CCC3(CCN(Cc4cccc(Cl)c4)CC3)O2)n(C)n1 ZINC000011996271 558306903 /nfs/dbraw/zinc/30/69/03/558306903.db2.gz BIKLARYJGJLUPM-IBGZPJMESA-N 0 3 416.953 3.326 50 0 HGAAHN COc1ccc(CN2CCC3(C[C@@H]3C(=O)N(C)Cc3cscn3)CC2)cc1OC ZINC000012039196 558312622 /nfs/dbraw/zinc/31/26/22/558312622.db2.gz WESJBXDOOMVXID-GOSISDBHSA-N 0 3 415.559 3.421 50 0 HGAAHN COc1ccccc1N1CCN([C@H]2CCCN(Cc3ccc4nsnc4c3)C2)CC1 ZINC000020119087 558336679 /nfs/dbraw/zinc/33/66/79/558336679.db2.gz QNWVDPVAHZYNDK-IBGZPJMESA-N 0 3 423.586 3.487 50 0 HGAAHN Cc1c(C(=O)N(C)C[C@@H]2CCCN(C)C2)cnn1-c1nccc(-c2cccs2)n1 ZINC000012154221 558339580 /nfs/dbraw/zinc/33/95/80/558339580.db2.gz BWOHOCWONCYZOV-MRXNPFEDSA-N 0 3 410.547 3.113 50 0 HGAAHN O=C(CCC1CCN(Cc2cnn(-c3cccc(F)c3)c2)CC1)NC[C@@H]1CCCO1 ZINC000012197782 558350267 /nfs/dbraw/zinc/35/02/67/558350267.db2.gz GICNOWZQSKFUPU-QFIPXVFZSA-N 0 3 414.525 3.299 50 0 HGAAHN COc1ccccc1/C=C/CN1CCc2nnc([C@@H](CC(C)C)NC(C)=O)n2CC1 ZINC000012211669 558354112 /nfs/dbraw/zinc/35/41/12/558354112.db2.gz DXHGZGUEQIUGBM-FHVRUZERSA-N 0 3 411.550 3.082 50 0 HGAAHN CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(CC1CCCCC1)CC2 ZINC000012244531 558361092 /nfs/dbraw/zinc/36/10/92/558361092.db2.gz SSOUBQPSZTZQRC-NRFANRHFSA-N 0 3 410.566 3.239 50 0 HGAAHN COc1cc(CNCc2cccc(C)c2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000012299047 558369145 /nfs/dbraw/zinc/36/91/45/558369145.db2.gz PRQDEHBYXGWYML-OAQYLSRUSA-N 0 3 416.587 3.082 50 0 HGAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1cscn1 ZINC000012302027 558371800 /nfs/dbraw/zinc/37/18/00/558371800.db2.gz GQLICLSXHFGDKB-UHFFFAOYSA-N 0 3 403.548 3.153 50 0 HGAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000012377279 558392340 /nfs/dbraw/zinc/39/23/40/558392340.db2.gz KYHDESJLQYWGPY-UHFFFAOYSA-N 0 3 419.525 3.257 50 0 HGAAHN CCOC(=O)C[C@H]1CCCCN1Cc1c[nH]nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000012431264 558405641 /nfs/dbraw/zinc/40/56/41/558405641.db2.gz FPORDZIAUBVJRW-QGZVFWFLSA-N 0 3 417.506 3.410 50 0 HGAAHN CCCCc1ncc(CN2CCC[C@H](CNC(=O)COc3ccccc3OC)C2)[nH]1 ZINC000012447556 558414835 /nfs/dbraw/zinc/41/48/35/558414835.db2.gz ZLQQBEVLPWPDDU-GOSISDBHSA-N 0 3 414.550 3.168 50 0 HGAAHN Cc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)c(C)c1 ZINC000020908850 558421745 /nfs/dbraw/zinc/42/17/45/558421745.db2.gz JKMQVKZVROUCRK-UHFFFAOYSA-N 0 3 409.578 3.192 50 0 HGAAHN CN(C(=O)CCc1ccc2c(c1)OCO2)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012479265 558423188 /nfs/dbraw/zinc/42/31/88/558423188.db2.gz JUBFOHGVYKUDPH-OAQYLSRUSA-N 0 3 406.526 3.438 50 0 HGAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)n1 ZINC000021795112 558449160 /nfs/dbraw/zinc/44/91/60/558449160.db2.gz WNKQTQNQFISFID-UHFFFAOYSA-N 0 3 400.914 3.393 50 0 HGAAHN CCOc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1 ZINC000021795120 558449288 /nfs/dbraw/zinc/44/92/88/558449288.db2.gz FWDXBYJRMKLDIS-UHFFFAOYSA-N 0 3 410.522 3.138 50 0 HGAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000021795012 558449393 /nfs/dbraw/zinc/44/93/93/558449393.db2.gz FGMBCNXWFAKDGG-UHFFFAOYSA-N 0 3 408.428 3.224 50 0 HGAAHN CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000013009295 558502790 /nfs/dbraw/zinc/50/27/90/558502790.db2.gz WHNUOFULFYUECP-GFCCVEGCSA-N 0 3 401.276 3.192 50 0 HGAAHN Cc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccccc4C)n3CC2)c1 ZINC000023128881 558536507 /nfs/dbraw/zinc/53/65/07/558536507.db2.gz PESHXVDSJBYMAC-LJQANCHMSA-N 0 3 403.530 3.444 50 0 HGAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc(F)c1 ZINC000023382159 558555469 /nfs/dbraw/zinc/55/54/69/558555469.db2.gz YUBFEJKUTKNPGE-VQIMIIECSA-N 0 3 408.433 3.271 50 0 HGAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000023382180 558555795 /nfs/dbraw/zinc/55/57/95/558555795.db2.gz MJDGPMHOMUSZCU-KUHUBIRLSA-N 0 3 408.433 3.271 50 0 HGAAHN O=C(NCc1ccc(NC(=O)C2CC2)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000024773927 558612304 /nfs/dbraw/zinc/61/23/04/558612304.db2.gz SAGRYHCJYQGAHJ-UHFFFAOYSA-N 0 3 406.530 3.499 50 0 HGAAHN CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1cccc(C)n1)CC2 ZINC000014536630 558658539 /nfs/dbraw/zinc/65/85/39/558658539.db2.gz HGUYISWTHFMGNQ-UHFFFAOYSA-N 0 3 421.545 3.037 50 0 HGAAHN COC[C@@H](C)N1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccccc1 ZINC000014542947 558660883 /nfs/dbraw/zinc/66/08/83/558660883.db2.gz DPURBZXYFFQENI-LJQANCHMSA-N 0 3 401.551 3.019 50 0 HGAAHN Cc1cc(C)n(-c2cccc(CN3CCC[C@@H](CCC(=O)N4CCOCC4)C3)c2)n1 ZINC000015068845 558711290 /nfs/dbraw/zinc/71/12/90/558711290.db2.gz FBPKYUSUQRINTN-NRFANRHFSA-N 0 3 410.562 3.340 50 0 HGAAHN Cc1oc(-c2cccs2)nc1CN1CC[C@@H](N(C)CCc2ccccn2)[C@H](O)C1 ZINC000015077340 558717097 /nfs/dbraw/zinc/71/70/97/558717097.db2.gz QBENGADWXQUVPT-WOJBJXKFSA-N 0 3 412.559 3.216 50 0 HGAAHN CC(C)[C@@H](CNC(=O)CCc1nc(-c2ccccn2)no1)N1CCc2ccccc2C1 ZINC000030637589 558734912 /nfs/dbraw/zinc/73/49/12/558734912.db2.gz BJHVXGXFFRVLKM-OAQYLSRUSA-N 0 3 419.529 3.263 50 0 HGAAHN CCS[C@H]1CC[C@H](N(C)CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000072304992 558756770 /nfs/dbraw/zinc/75/67/70/558756770.db2.gz HHPIENICULYOPB-PMACEKPBSA-N 0 3 403.592 3.031 50 0 HGAAHN COc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c(C)c1 ZINC000033326843 558766798 /nfs/dbraw/zinc/76/67/98/558766798.db2.gz OTZYXLIUQKOEIA-UHFFFAOYSA-N 0 3 424.549 3.446 50 0 HGAAHN CCN1CCN(c2ccc(NC(=O)CCCn3c4ccccc4oc3=O)cc2C)CC1 ZINC000016299967 558784676 /nfs/dbraw/zinc/78/46/76/558784676.db2.gz PLEAOUBZZHMCIW-UHFFFAOYSA-N 0 3 422.529 3.464 50 0 HGAAHN Cc1ccc(NC(=O)c2nnc(CCCC(=O)NCCN3CCCCC3)s2)cc1 ZINC000032995121 558809242 /nfs/dbraw/zinc/80/92/42/558809242.db2.gz UARDMZJZXIFHHZ-UHFFFAOYSA-N 0 3 415.563 3.024 50 0 HGAAHN O=C(CCCc1nnc(C(=O)Nc2ccccc2)s1)NCCN1CCCCCC1 ZINC000032995311 558809726 /nfs/dbraw/zinc/80/97/26/558809726.db2.gz HLCXFWGUVIKSHX-UHFFFAOYSA-N 0 3 415.563 3.105 50 0 HGAAHN COc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)c2c1 ZINC000018088193 558830970 /nfs/dbraw/zinc/83/09/70/558830970.db2.gz MFTJXYFTFZAVEY-LJQANCHMSA-N 0 3 415.852 3.433 50 0 HGAAHN CCOC(=O)C1CCN(CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000022197923 558864710 /nfs/dbraw/zinc/86/47/10/558864710.db2.gz YLTCXBYMTYCEPR-UHFFFAOYSA-N 0 3 401.276 3.192 50 0 HGAAHN CCOC(=O)N1CCC(N(CCN(C)C)C(=S)Nc2ccccc2OCC)CC1 ZINC000004669418 558877234 /nfs/dbraw/zinc/87/72/34/558877234.db2.gz OQKFZRXOMVMWAX-UHFFFAOYSA-N 0 3 422.595 3.267 50 0 HGAAHN CCOc1ccc(CN2CCC(C(=O)N[C@@H](C(=O)OC)c3ccccc3)CC2)cc1 ZINC000004690047 558899566 /nfs/dbraw/zinc/89/95/66/558899566.db2.gz JSQBIPBMDGVFBI-JOCHJYFZSA-N 0 3 410.514 3.328 50 0 HGAAHN COc1cc(CNCCN2CCOCC2)ccc1OCc1c(F)cccc1Cl ZINC000019550251 558914998 /nfs/dbraw/zinc/91/49/98/558914998.db2.gz PQAPAXXUERVALT-UHFFFAOYSA-N 0 3 408.901 3.489 50 0 HGAAHN CN(C)CCOc1cccc2c1c(NC(=O)[C@@H]1CCOC1)nn2-c1cccc(F)c1 ZINC000072435344 558980147 /nfs/dbraw/zinc/98/01/47/558980147.db2.gz GLBDCYVSVKIDMM-OAHLLOKOSA-N 0 3 412.465 3.080 50 0 HGAAHN Cc1[nH]c(=O)[nH]c(=O)c1CN1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000067757696 558992483 /nfs/dbraw/zinc/99/24/83/558992483.db2.gz FKXSSXUYNAYXFU-FQEVSTJZSA-N 0 3 403.482 3.134 50 0 HGAAHN O=C1NC(=O)[C@](Cc2ccc(F)cc2)(C2CCN(c3ccnc4ccccc43)CC2)N1 ZINC000067805983 558993165 /nfs/dbraw/zinc/99/31/65/558993165.db2.gz JHBGADZPUGEIBX-DEOSSOPVSA-N 0 3 418.472 3.411 50 0 HGAAHN COc1cc(C(=O)NCC2CCN(Cc3cccs3)CC2)cc(OC)c1OC ZINC000023128043 559016246 /nfs/dbraw/zinc/01/62/46/559016246.db2.gz HPJVKLMRPMTRAT-UHFFFAOYSA-N 0 3 404.532 3.416 50 0 HGAAHN Cc1[nH]ccc1C(=O)N(CCN(C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000095523163 559085637 /nfs/dbraw/zinc/08/56/37/559085637.db2.gz WSAFDODFUAIMJU-IBGZPJMESA-N 0 3 400.542 3.378 50 0 HGAAHN Cc1cccc(C)c1NC(=O)CN1CCN(CCN(C)Cc2ccc(F)cc2)CC1 ZINC000072309048 559162141 /nfs/dbraw/zinc/16/21/41/559162141.db2.gz CISBOUKXDSSBCI-UHFFFAOYSA-N 0 3 412.553 3.131 50 0 HGAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2csc(SC)n2)CC1 ZINC000011873010 559264810 /nfs/dbraw/zinc/26/48/10/559264810.db2.gz YGBPCOLSUVAMRM-MRXNPFEDSA-N 0 3 424.636 3.098 50 0 HGAAHN CSCC[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@@]2(N1)c1ccccc1N(C)C2=O ZINC000061717581 559292540 /nfs/dbraw/zinc/29/25/40/559292540.db2.gz APWAKIVXOCBAOL-ZJBJCVSYSA-N 0 3 413.518 3.367 50 0 HGAAHN CN(C)CCn1c2c(c(SCC(=O)Nc3cccc4ccccc43)nc1=O)CCC2 ZINC000005254195 560551985 /nfs/dbraw/zinc/55/19/85/560551985.db2.gz BBXFFJOLZKWNMY-UHFFFAOYSA-N 0 3 422.554 3.178 50 0 HGAAHN Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000002631282 560586362 /nfs/dbraw/zinc/58/63/62/560586362.db2.gz ODDFIUJTAGTZCI-VQIMIIECSA-N 0 3 420.575 3.030 50 0 HGAAHN C[N@H+](Cc1ccccc1)Cc1c([O-])c(CN2CCN(c3ccccc3)CC2)coc1=O ZINC000101374413 560793466 /nfs/dbraw/zinc/79/34/66/560793466.db2.gz SOJWFFAUPXGXRB-UHFFFAOYSA-N 0 3 419.525 3.300 50 0 HGAAHN C[N@@H+](Cc1ccccc1)Cc1c([O-])c(CN2CCN(c3ccccc3)CC2)coc1=O ZINC000101374413 560793467 /nfs/dbraw/zinc/79/34/67/560793467.db2.gz SOJWFFAUPXGXRB-UHFFFAOYSA-N 0 3 419.525 3.300 50 0 HGAAHN O=C(COC(=O)c1ccoc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000014846378 560861723 /nfs/dbraw/zinc/86/17/23/560861723.db2.gz GTIZOXZHGREOBH-UHFFFAOYSA-N 0 3 419.481 3.397 50 0 HGAAHN COc1cc(C)c(S(=O)(=O)N2CCCN(CC3CCCCC3)CC2)cc1OC ZINC000048374008 568442362 /nfs/dbraw/zinc/44/23/62/568442362.db2.gz KBWBRZGMNPAHIR-UHFFFAOYSA-N 0 3 410.580 3.289 50 0 HGAAHN CCN1CCN(CCCNC(=O)c2cc3cc4ccc(OC)cc4nc3s2)CC1 ZINC000020178768 568592991 /nfs/dbraw/zinc/59/29/91/568592991.db2.gz KXNYELUXJHDJJB-UHFFFAOYSA-N 0 3 412.559 3.216 50 0 HGAAHN CCN1CCN(CCCNC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)CC1 ZINC000020210134 568594226 /nfs/dbraw/zinc/59/42/26/568594226.db2.gz WMGFUJKSIJJRGA-UHFFFAOYSA-N 0 3 400.910 3.392 50 0 HGAAHN CCN1CCN(CCCNc2ncnc3onc(-c4ccc(Cl)cc4)c32)CC1 ZINC000020329930 568599178 /nfs/dbraw/zinc/59/91/78/568599178.db2.gz QSKILKXSFYMONP-UHFFFAOYSA-N 0 3 400.914 3.378 50 0 HGAAHN COc1ccccc1-c1nn(Cc2ccccc2)cc1CN1CCC[C@@H](C(N)=O)C1 ZINC000095430325 568608952 /nfs/dbraw/zinc/60/89/52/568608952.db2.gz GJEDYGZJJYVTSN-LJQANCHMSA-N 0 3 404.514 3.304 50 0 HGAAHN CN(C)[C@H]1Cc2ccccc2N(C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000225460089 568639944 /nfs/dbraw/zinc/63/99/44/568639944.db2.gz MCCRXIXJLQKVMB-HKUYNNGSSA-N 0 3 416.566 3.336 50 0 HGAAHN Cc1csc(=O)n1CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000225759540 568671775 /nfs/dbraw/zinc/67/17/75/568671775.db2.gz IQEQXPJFZYNMCB-LEWJYISDSA-N 0 3 407.539 3.003 50 0 HGAAHN Cc1cc(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)ccc1NC(=O)CC(C)C ZINC000096006415 568682582 /nfs/dbraw/zinc/68/25/82/568682582.db2.gz ZRRZSLAUIGSMLI-QFIPXVFZSA-N 0 3 423.557 3.476 50 0 HGAAHN CO[C@@](C)(C(=O)N1CCC[C@H](c2n[nH]cc2CN2CCCC2)C1)c1ccccc1F ZINC000240423806 568730092 /nfs/dbraw/zinc/73/00/92/568730092.db2.gz FRBKMPGVLBGIBR-GAJHUEQPSA-N 0 3 414.525 3.412 50 0 HGAAHN CO[C@](C)(C(=O)N1CCC[C@H](c2n[nH]cc2CN2CCCC2)C1)c1ccccc1F ZINC000240423808 568730131 /nfs/dbraw/zinc/73/01/31/568730131.db2.gz FRBKMPGVLBGIBR-SBUREZEXSA-N 0 3 414.525 3.412 50 0 HGAAHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000230019938 568801991 /nfs/dbraw/zinc/80/19/91/568801991.db2.gz AIRJRZRRFRLGKT-XUVXKRRUSA-N 0 3 418.405 3.117 50 0 HGAAHN CC1CCN([C@H](CNC(=O)[C@H]2CCCN(c3cnccn3)C2)c2cccs2)CC1 ZINC000029754325 568828941 /nfs/dbraw/zinc/82/89/41/568828941.db2.gz FZIWYLRRDCLRKB-RBUKOAKNSA-N 0 3 413.591 3.344 50 0 HGAAHN CN1CCC(NCCc2c[nH]c3ccccc23)(c2nnnn2C2CCCCC2)CC1 ZINC000006002064 568834909 /nfs/dbraw/zinc/83/49/09/568834909.db2.gz ZTTGVWRUPOYELX-UHFFFAOYSA-N 0 3 407.566 3.413 50 0 HGAAHN Cc1cccc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)c1 ZINC000299767175 568873941 /nfs/dbraw/zinc/87/39/41/568873941.db2.gz GXGMKYXIQQRVCS-HSZRJFAPSA-N 0 3 412.505 3.405 50 0 HGAAHN O=C(NCCNc1ccc(C(F)(F)F)cn1)NC1CCN(Cc2ccccc2)CC1 ZINC000031662344 568929116 /nfs/dbraw/zinc/92/91/16/568929116.db2.gz GQWRMVVPPWKVAR-UHFFFAOYSA-N 0 3 421.467 3.476 50 0 HGAAHN O=C(CN1CCCC1)Nc1ccc(Cc2ccc(NC(=O)CN3CCCC3)cc2)cc1 ZINC000004114057 568944347 /nfs/dbraw/zinc/94/43/47/568944347.db2.gz YNNKKMKHXXUFLP-UHFFFAOYSA-N 0 3 420.557 3.346 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677524 568965734 /nfs/dbraw/zinc/96/57/34/568965734.db2.gz FFMCKWMFJFDUOY-UHFFFAOYSA-N 0 3 416.525 3.127 50 0 HGAAHN CN(C)C[C@@H](O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000001829057 569056278 /nfs/dbraw/zinc/05/62/78/569056278.db2.gz LIHDYPZAJXATFM-CQSZACIVSA-N 0 3 403.331 3.111 50 0 HGAAHN Cc1noc(C)c1CN1CCc2c(C(=O)NC[C@@H](C)N3CCCC3)csc2C1 ZINC000426727488 569074069 /nfs/dbraw/zinc/07/40/69/569074069.db2.gz MLGLUKYELMGCDW-CQSZACIVSA-N 0 3 402.564 3.125 50 0 HGAAHN Cc1ccc(CN(CCN2CCOCC2)C[C@@H](O)COCc2ccccc2)c(C)c1 ZINC000036098854 569090954 /nfs/dbraw/zinc/09/09/54/569090954.db2.gz FFQCSGFPJKCLQQ-RUZDIDTESA-N 0 3 412.574 3.015 50 0 HGAAHN C[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036309085 569129916 /nfs/dbraw/zinc/12/99/16/569129916.db2.gz YJMIRHVDCFQELY-UWJYYQICSA-N 0 3 414.571 3.346 50 0 HGAAHN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(CC(=O)NCCN(C)C)CC1 ZINC000065006655 569152884 /nfs/dbraw/zinc/15/28/84/569152884.db2.gz VMOHUMUJZRLRRJ-UHFFFAOYSA-N 0 3 414.575 3.039 50 0 HGAAHN Cc1cccc(N2N=C(C(=O)NC3CCN(Cc4ccccc4)CC3)CCC2=O)c1 ZINC000006864024 569158766 /nfs/dbraw/zinc/15/87/66/569158766.db2.gz ZJTXOKQJCJEFNR-UHFFFAOYSA-N 0 3 404.514 3.259 50 0 HGAAHN Cc1oc(-c2ccc(C(=O)NCCN(C)C)cc2)nc1C[S@](=O)c1ccccc1 ZINC000006941168 569186652 /nfs/dbraw/zinc/18/66/52/569186652.db2.gz TVCZGTZFGLEBEL-GDLZYMKVSA-N 0 3 411.527 3.249 50 0 HGAAHN CCOc1ccc(NC(=O)c2cnc(N3CCN(C4CCCCC4)CC3)nc2N)cc1 ZINC000065154833 569187908 /nfs/dbraw/zinc/18/79/08/569187908.db2.gz JCIWROLBQJSTNX-UHFFFAOYSA-N 0 3 424.549 3.165 50 0 HGAAHN CCN1CCN(CCNC(=O)c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)CC1 ZINC000065229922 569200644 /nfs/dbraw/zinc/20/06/44/569200644.db2.gz PEHPLAQXVPKWPZ-UHFFFAOYSA-N 0 3 411.937 3.022 50 0 HGAAHN COc1cccc(CNC(=O)c2cccnc2N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065255811 569207994 /nfs/dbraw/zinc/20/79/94/569207994.db2.gz DPQJJBKQONXVLW-JOCHJYFZSA-N 0 3 402.498 3.171 50 0 HGAAHN CC[C@@H]1CCCCN1Cc1ccc(CNC(=O)c2c(C)oc3ncn(C)c(=O)c32)o1 ZINC000065329564 569224847 /nfs/dbraw/zinc/22/48/47/569224847.db2.gz ZJVPDFNRTRHKJR-OAHLLOKOSA-N 0 3 412.490 3.122 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccnc(OCC2CCOCC2)c1 ZINC000239593082 569235634 /nfs/dbraw/zinc/23/56/34/569235634.db2.gz DOBHZUPNLJDUPE-UHFFFAOYSA-N 0 3 409.530 3.281 50 0 HGAAHN CC(C)(C)OC(=O)N1CCC(CCN2CCC[C@H]2C(=O)NCc2ccco2)CC1 ZINC000170591334 569240714 /nfs/dbraw/zinc/24/07/14/569240714.db2.gz LQZHUWDNKMASHT-IBGZPJMESA-N 0 3 405.539 3.397 50 0 HGAAHN O=C(CC[C@H](O)c1ccc2c(c1)CCC(=O)N2)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000170597790 569242199 /nfs/dbraw/zinc/24/21/99/569242199.db2.gz WDJHVOIQPUXOTG-GMAHTHKFSA-N 0 3 421.541 3.166 50 0 HGAAHN O=C(NCCc1nnc(-c2ccccc2)[nH]1)Nc1ccccc1CN1CCSCC1 ZINC000170616999 569247640 /nfs/dbraw/zinc/24/76/40/569247640.db2.gz GPGMIOUQLHRSAH-UHFFFAOYSA-N 0 3 422.558 3.385 50 0 HGAAHN CCOc1ccc(NC(=O)CSC2=N[C@@H](c3c[nH]c4ccccc43)NC(=N)N2)cc1 ZINC000013579118 569256313 /nfs/dbraw/zinc/25/63/13/569256313.db2.gz IFLXZSNBAOHORU-IBGZPJMESA-N 0 3 422.514 3.211 50 0 HGAAHN Cc1cccc(C(=O)N2CCCN(C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC000170639686 569281345 /nfs/dbraw/zinc/28/13/45/569281345.db2.gz UGUZSXWUBGIULH-LJQANCHMSA-N 0 3 401.551 3.400 50 0 HGAAHN Cc1cc(CN2CCC(N3CCN(c4cc(C(F)(F)F)ccn4)CC3)CC2)on1 ZINC000252488764 569289493 /nfs/dbraw/zinc/28/94/93/569289493.db2.gz IYLCWJVMEWZQNL-UHFFFAOYSA-N 0 3 409.456 3.183 50 0 HGAAHN Cc1ccccc1CNC(=O)[C@@H](C)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000195675467 569312939 /nfs/dbraw/zinc/31/29/39/569312939.db2.gz RLATZYFAFWOKSY-GOSISDBHSA-N 0 3 410.514 3.066 50 0 HGAAHN CN(C)CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C)C3 ZINC000002413101 569397085 /nfs/dbraw/zinc/39/70/85/569397085.db2.gz HEPBOBDMPQYVQC-UHFFFAOYSA-N 0 3 400.573 3.089 50 0 HGAAHN Cc1occc1C(=O)N(C)CCN(CCN1CCCCC1)C(=O)c1ccoc1C ZINC000328592075 569415297 /nfs/dbraw/zinc/41/52/97/569415297.db2.gz VXMAGCURXXDSAW-UHFFFAOYSA-N 0 3 401.507 3.190 50 0 HGAAHN O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000040155914 571203109 /nfs/dbraw/zinc/20/31/09/571203109.db2.gz NRVHZLTWTWFRQL-UHFFFAOYSA-N 0 3 403.530 3.205 50 0 HGAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000009824143 571286401 /nfs/dbraw/zinc/28/64/01/571286401.db2.gz RAAVOIBPMVIKAG-HXUWFJFHSA-N 0 3 424.504 3.390 50 0 HGAAHN CN(CCCNC(=O)c1ccc2c(c1)N(C)C(=O)[C@@H]1CCCCN21)Cc1ccccc1 ZINC000009528820 132340631 /nfs/dbraw/zinc/34/06/31/132340631.db2.gz RBUMMOVOJSWFBL-QFIPXVFZSA-N 0 3 420.557 3.274 50 0 HGAAHN CCN(CC)[C@@H](CNC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1ccsc1 ZINC000031983980 520831779 /nfs/dbraw/zinc/83/17/79/520831779.db2.gz PMHBKFASCZJSFL-FQEVSTJZSA-N 0 3 414.575 3.195 50 0 HGAAHN CCNC(=O)[C@@H]1C[C@H](NCc2ccc(F)cc2F)CN1Cc1ccccc1Cl ZINC000032580908 521744978 /nfs/dbraw/zinc/74/49/78/521744978.db2.gz NGPYNAQWFXUODB-PXNSSMCTSA-N 0 3 407.892 3.487 50 0 HGAAHN COc1ccc2nc(C)cc(N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)c2c1 ZINC000009220951 537048484 /nfs/dbraw/zinc/04/84/84/537048484.db2.gz GOMIBGBSIZKNFI-UHFFFAOYSA-N 0 3 420.513 3.463 50 0 HGAAHN CC(C(=O)NC(C)(C)C)S(=O)(=O)Cc1csc(COc2ccc(F)cc2)n1 ZINC000046156813 557293517 /nfs/dbraw/zinc/29/35/17/557293517.db2.gz UQKLSAWDHNLHLR-GFCCVEGCSA-N 0 3 414.524 3.079 50 0 HGAAHN CCCCOC(=O)c1ccc(N2C(=O)C[C@@H](NCCc3ccc(OC)cc3)C2=O)cc1 ZINC000004438642 557555555 /nfs/dbraw/zinc/55/55/55/557555555.db2.gz LICUBWZNKBKNNS-OAQYLSRUSA-N 0 3 424.497 3.116 50 0 biogenic HGAAHN Cn1nnnc1SCCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000005325116 557644952 /nfs/dbraw/zinc/64/49/52/557644952.db2.gz BWCHNKQUQJKCPT-UHFFFAOYSA-N 0 3 407.902 3.464 50 0 HGAAHN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000022883381 557843600 /nfs/dbraw/zinc/84/36/00/557843600.db2.gz QRRMIVPNQNDJJM-UHFFFAOYSA-N 0 3 413.543 3.465 50 0 HGAAHN COc1ccc(CC(=O)NC[C@@H]2CCCN(Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011661622 558265599 /nfs/dbraw/zinc/26/55/99/558265599.db2.gz YRXLBFVAAKEIJO-IBGZPJMESA-N 0 3 412.530 3.283 50 0 HGAAHN O=C(CCC1CCN(Cc2cc(F)ccc2-n2cccn2)CC1)NC[C@@H]1CCCO1 ZINC000011662232 558265903 /nfs/dbraw/zinc/26/59/03/558265903.db2.gz RJRUVRPUNSSVMX-NRFANRHFSA-N 0 3 414.525 3.299 50 0 HGAAHN O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN(Cc2cccc3c2OCO3)C1 ZINC000011763046 558273660 /nfs/dbraw/zinc/27/36/60/558273660.db2.gz ZYKDWGBQVYZCJV-SFHVURJKSA-N 0 3 404.470 3.452 50 0 HGAAHN COCC(=O)NC[C@@H]1CCC2(CCN(Cc3c(OC)ccc4ccccc43)CC2)O1 ZINC000011786380 558276293 /nfs/dbraw/zinc/27/62/93/558276293.db2.gz NRTYATDCTNZDHB-IBGZPJMESA-N 0 3 412.530 3.125 50 0 HGAAHN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C2CCN(C(C)=O)CC2)C1 ZINC000011817522 558280969 /nfs/dbraw/zinc/28/09/69/558280969.db2.gz LOGBHXDZHUPWOZ-JOCHJYFZSA-N 0 3 408.489 3.164 50 0 HGAAHN CCOc1ccc(CN2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)cc1Cl ZINC000011821475 558284806 /nfs/dbraw/zinc/28/48/06/558284806.db2.gz AWGXCBJOJFHRDF-NHCUHLMSSA-N 0 3 403.954 3.243 50 0 HGAAHN O=C(c1cn(CCc2ccccc2)nn1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000011842493 558287612 /nfs/dbraw/zinc/28/76/12/558287612.db2.gz ZBDVASOPTLCDBA-UHFFFAOYSA-N 0 3 419.573 3.247 50 0 HGAAHN O=C([C@H]1CCC(=O)N(CCc2cccc(F)c2)C1)N1CCN(C2CCCCC2)CC1 ZINC000019840365 558293941 /nfs/dbraw/zinc/29/39/41/558293941.db2.gz RXRPZAYGQKIVHF-FQEVSTJZSA-N 0 3 415.553 3.084 50 0 HGAAHN CC1(C)C[C@@H](N2C(=O)CC[C@H]2CCNCc2cc3c(cc2Cl)OCO3)CCO1 ZINC000012052127 558314309 /nfs/dbraw/zinc/31/43/09/558314309.db2.gz SFIHXFZBAUZLMB-HOTGVXAUSA-N 0 3 408.926 3.497 50 0 HGAAHN O=C(NCCCc1ccccc1)[C@@H]1CC12CCN(Cc1ccc(OCCO)cc1)CC2 ZINC000012245117 558361498 /nfs/dbraw/zinc/36/14/98/558361498.db2.gz TYHYOUBMHTUKLK-DEOSSOPVSA-N 0 3 422.569 3.409 50 0 HGAAHN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccc(NC(C)=O)cc3)C2)CC1 ZINC000020449826 558364812 /nfs/dbraw/zinc/36/48/12/558364812.db2.gz UOSHCDHVTQJRLY-HSZRJFAPSA-N 0 3 422.573 3.440 50 0 HGAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)C3=CCCC3)CC2)c(Cl)c1 ZINC000012373647 558390738 /nfs/dbraw/zinc/39/07/38/558390738.db2.gz BBOHIBUEOVLRBO-UHFFFAOYSA-N 0 3 419.953 3.112 50 0 HGAAHN COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(C)c(C)c1 ZINC000229979097 558488404 /nfs/dbraw/zinc/48/84/04/558488404.db2.gz VNXZQQDHECMJME-KAGYGMCKSA-N 0 3 415.511 3.209 50 0 HGAAHN OCC[C@H]1CN(Cc2cccn2-c2cccnc2)CCN1CCCc1ccccc1 ZINC000023373212 558553110 /nfs/dbraw/zinc/55/31/10/558553110.db2.gz NOZMSEZRCIEDSV-DEOSSOPVSA-N 0 3 404.558 3.374 50 0 HGAAHN O=C(COc1cccc(N2CCCC2=O)c1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000023741004 558572959 /nfs/dbraw/zinc/57/29/59/558572959.db2.gz XQANQWSZAKKRQV-JOCHJYFZSA-N 0 3 407.514 3.146 50 0 HGAAHN COc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)NC3(C)C)c1OC ZINC000004479367 558602003 /nfs/dbraw/zinc/60/20/03/558602003.db2.gz OCIPTRSIFMAOON-UHFFFAOYSA-N 0 3 417.531 3.276 50 0 HGAAHN CN(C)S(=O)(=O)c1ccc(OCCN2CCc3sccc3[C@H]2C2CC2)cc1 ZINC000024768795 558611925 /nfs/dbraw/zinc/61/19/25/558611925.db2.gz YZQWABQKTZHZTO-HXUWFJFHSA-N 0 3 406.573 3.387 50 0 HGAAHN CCN(CC)Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000024925461 558620831 /nfs/dbraw/zinc/62/08/31/558620831.db2.gz JGPOLWDPXXIFCT-UHFFFAOYSA-N 0 3 423.966 3.441 50 0 HGAAHN CC(C)CN1C(=O)N(C)C(=O)C12CCN(Cc1ccc(Oc3ncccn3)cc1)CC2 ZINC000014531208 558656081 /nfs/dbraw/zinc/65/60/81/558656081.db2.gz LPEWFJUFFRGPEY-UHFFFAOYSA-N 0 3 423.517 3.154 50 0 HGAAHN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](NCc1ccc(F)cc1F)CC2 ZINC000014541699 558660399 /nfs/dbraw/zinc/66/03/99/558660399.db2.gz AQORBUAPRGGQBY-INIZCTEOSA-N 0 3 414.456 3.211 50 0 HGAAHN CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccsc1)CC2 ZINC000014731633 558665674 /nfs/dbraw/zinc/66/56/74/558665674.db2.gz SZSAWXXXNOHOLO-UHFFFAOYSA-N 0 3 412.559 3.395 50 0 HGAAHN CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1cccc(O)c1)CC2 ZINC000014750610 558670660 /nfs/dbraw/zinc/67/06/60/558670660.db2.gz PRHHYTXGJNQJHQ-UHFFFAOYSA-N 0 3 422.529 3.039 50 0 HGAAHN COc1ccccc1NC(=O)[C@H]1CC12CCN(Cc1cccc(OCCO)c1)CC2 ZINC000014878859 558675514 /nfs/dbraw/zinc/67/55/14/558675514.db2.gz LKJLHXUNHJFORW-HXUWFJFHSA-N 0 3 410.514 3.307 50 0 HGAAHN COc1ccccc1NC(=O)[C@@H]1CC12CCN(Cc1cccc(OCCO)c1)CC2 ZINC000014878858 558675529 /nfs/dbraw/zinc/67/55/29/558675529.db2.gz LKJLHXUNHJFORW-FQEVSTJZSA-N 0 3 410.514 3.307 50 0 HGAAHN Cn1cc(CN2CCC(C(N)=O)(N3CCCCC3)CC2)c(-c2cccc(Cl)c2)n1 ZINC000014973710 558688453 /nfs/dbraw/zinc/68/84/53/558688453.db2.gz XDGHQKFRXSHSLD-UHFFFAOYSA-N 0 3 415.969 3.046 50 0 HGAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)CC(F)(F)F ZINC000014981211 558691713 /nfs/dbraw/zinc/69/17/13/558691713.db2.gz OYXGPRHOAMTEQR-INIZCTEOSA-N 0 3 403.464 3.380 50 0 HGAAHN CC[C@@H]1CN(CCC(=O)NCc2ccc3c(c2)OCO3)Cc2cc(OC)ccc2O1 ZINC000014995297 558695860 /nfs/dbraw/zinc/69/58/60/558695860.db2.gz UAZQJCZNUORSGJ-GOSISDBHSA-N 0 3 412.486 3.103 50 0 HGAAHN COc1cc(C[C@@H]2CC(CNCCc3ccc(C)cc3)=NO2)c(OC)c2c1OCO2 ZINC000015081397 558718935 /nfs/dbraw/zinc/71/89/35/558718935.db2.gz NXZXHNZWSKMPET-LJQANCHMSA-N 0 3 412.486 3.261 50 0 HGAAHN Cc1cccc(NC(=O)CSCC(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000015564595 558744295 /nfs/dbraw/zinc/74/42/95/558744295.db2.gz MCQAEKQBIGZMSF-UHFFFAOYSA-N 0 3 411.571 3.448 50 0 HGAAHN NC(=O)COc1ccc(CNC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1 ZINC000030910961 558744430 /nfs/dbraw/zinc/74/44/30/558744430.db2.gz QICKLAXIRBSVBN-IBGZPJMESA-N 0 3 405.901 3.270 50 0 HGAAHN C[C@H]1CCCCN1CCNC(=O)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000033088544 558760929 /nfs/dbraw/zinc/76/09/29/558760929.db2.gz SOGREQQLUAERFL-LBPRGKRZSA-N 0 3 422.411 3.007 50 0 HGAAHN Cc1cccc(N2CCN(CCCCNC(=O)CCc3nnc(C(C)C)o3)CC2)c1 ZINC000072309538 558773442 /nfs/dbraw/zinc/77/34/42/558773442.db2.gz XNRGUOVHTAPLKL-UHFFFAOYSA-N 0 3 413.566 3.153 50 0 HGAAHN CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000033028906 558852248 /nfs/dbraw/zinc/85/22/48/558852248.db2.gz XLMIKBBKDPILFR-LJQANCHMSA-N 0 3 423.966 3.059 50 0 HGAAHN CCNC(=O)N1CCC[C@H](c2cccc(C(=O)NCCN3CCCCCC3)c2)C1 ZINC000033035910 558860021 /nfs/dbraw/zinc/86/00/21/558860021.db2.gz IADOLEUEKDSFAH-NRFANRHFSA-N 0 3 400.567 3.201 50 0 HGAAHN Cc1c(CN2CCC[C@](CO)(Cc3ccccc3F)C2)c(=O)n(-c2ccccc2)n1C ZINC000055036633 558870048 /nfs/dbraw/zinc/87/00/48/558870048.db2.gz HPPARZKBZXTMNP-VWLOTQADSA-N 0 3 423.532 3.441 50 0 HGAAHN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCCCN1CCN(Cc3ccccc3)CC1)C2=O ZINC000019367297 558877088 /nfs/dbraw/zinc/87/70/88/558877088.db2.gz XTGMLDFXCZWGIX-SQJMNOBHSA-N 0 3 411.590 3.396 50 0 HGAAHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000058174309 558909041 /nfs/dbraw/zinc/90/90/41/558909041.db2.gz PIMGUNZFOKZYQU-BZUAXINKSA-N 0 3 422.367 3.039 50 0 HGAAHN CCOC(=O)c1sc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c(C(=O)OCC)c1C ZINC000058306291 558918336 /nfs/dbraw/zinc/91/83/36/558918336.db2.gz SMLISAYXGPEEEB-CQSZACIVSA-N 0 3 423.535 3.112 50 0 HGAAHN COc1cccc(CN2CCN(Cc3ccc(-n4cccn4)cc3C)C[C@@H]2CCO)c1 ZINC000019595654 558946073 /nfs/dbraw/zinc/94/60/73/558946073.db2.gz FCHUTMMZICIQPB-DEOSSOPVSA-N 0 3 420.557 3.258 50 0 HGAAHN CN(C)CCOc1cccc2c1c(NC(=O)c1cc[nH]n1)nn2-c1ccc(F)cc1 ZINC000072410031 558977492 /nfs/dbraw/zinc/97/74/92/558977492.db2.gz VLCUITQYEKRDFJ-UHFFFAOYSA-N 0 3 408.437 3.080 50 0 HGAAHN CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCCN3CCCCC3)c2)C1 ZINC000033264390 558984418 /nfs/dbraw/zinc/98/44/18/558984418.db2.gz RDXZOCGIGCWMAA-NRFANRHFSA-N 0 3 400.567 3.200 50 0 HGAAHN O=C(CCc1n[nH]c2c1CCCC2)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000067472746 558986758 /nfs/dbraw/zinc/98/67/58/558986758.db2.gz FVYCHQLBJLWUJO-NRFANRHFSA-N 0 3 421.589 3.034 50 0 HGAAHN COc1ccc(C)cc1NC(=O)N1CCN(c2cc(N3CCCCC3)nc(C)n2)CC1 ZINC000067623130 558990095 /nfs/dbraw/zinc/99/00/95/558990095.db2.gz QAQSPXPEWASFLP-UHFFFAOYSA-N 0 3 424.549 3.446 50 0 HGAAHN CN1CCC(CN(CCc2ccccc2)C(=O)c2ccc(-n3cnnc3)cc2)CC1 ZINC000095503555 559082760 /nfs/dbraw/zinc/08/27/60/559082760.db2.gz IALXZUWUQDCWKH-UHFFFAOYSA-N 0 3 403.530 3.294 50 0 HGAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cccn1C ZINC000095505359 559083011 /nfs/dbraw/zinc/08/30/11/559083011.db2.gz CCDJGBWSWWIBGT-IBGZPJMESA-N 0 3 400.542 3.080 50 0 HGAAHN CN(C)[C@@H](CNC(=O)c1ccc(Cn2nnc3ccccc32)cc1)Cc1ccccc1 ZINC000011603656 559113220 /nfs/dbraw/zinc/11/32/20/559113220.db2.gz RRBTVUPDKDIOOS-JOCHJYFZSA-N 0 3 413.525 3.382 50 0 HGAAHN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)CC23CCC(CC2=O)C3(C)C)CC1 ZINC000100937603 559142077 /nfs/dbraw/zinc/14/20/77/559142077.db2.gz AFRMFWLXYPQQJG-IERDGZPVSA-N 0 3 424.994 3.496 50 0 HGAAHN Cc1cccc(-c2noc(CS(=O)(=O)C(C)C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)n2)c1 ZINC000248088052 559262049 /nfs/dbraw/zinc/26/20/49/559262049.db2.gz LPJNKQHHPWMHDS-BVIKNXMNSA-N 0 3 419.547 3.289 50 0 HGAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2csc(SC)n2)CC1 ZINC000011873011 559264760 /nfs/dbraw/zinc/26/47/60/559264760.db2.gz YGBPCOLSUVAMRM-INIZCTEOSA-N 0 3 424.636 3.098 50 0 HGAAHN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cccc(F)c2)N(CCCN(C)C)C1=O ZINC000005345824 560570146 /nfs/dbraw/zinc/57/01/46/560570146.db2.gz SDBNLPOFUPYXJU-HXUWFJFHSA-N 0 3 410.445 3.438 50 0 HGAAHN O=C1C[C@@H](NC2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc2c(c1)CCC2 ZINC000105969386 560878005 /nfs/dbraw/zinc/87/80/05/560878005.db2.gz KPBPIEZHOVINQQ-HSZRJFAPSA-N 0 3 403.526 3.061 50 0 HGAAHN COc1ccc(CN2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c(F)c1 ZINC000012093022 560888883 /nfs/dbraw/zinc/88/88/83/560888883.db2.gz ILAMTAGXBCMVLD-GOSISDBHSA-N 0 3 405.558 3.379 50 0 HGAAHN COc1ccc(CN2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c(F)c1 ZINC000012093019 560888924 /nfs/dbraw/zinc/88/89/24/560888924.db2.gz ILAMTAGXBCMVLD-SFHVURJKSA-N 0 3 405.558 3.379 50 0 HGAAHN CC(=O)N1CCc2cc(C(=O)N[C@H]3CC4(CCN(C)CC4)Oc4ccccc43)ccc21 ZINC000048326416 568439788 /nfs/dbraw/zinc/43/97/88/568439788.db2.gz SLHQNVWTHTYKHY-NRFANRHFSA-N 0 3 419.525 3.314 50 0 HGAAHN CCN(C(=O)Cn1c(C)nc2c(c1=O)CN(Cc1ccccc1)CC2)c1ccccc1 ZINC000049400764 568447696 /nfs/dbraw/zinc/44/76/96/568447696.db2.gz YPRKANCQUMAHOJ-UHFFFAOYSA-N 0 3 416.525 3.163 50 0 HGAAHN O=C1C[C@H](c2ccc(Cl)cc2)[C@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 ZINC000049581142 568452823 /nfs/dbraw/zinc/45/28/23/568452823.db2.gz NBBYHVVEXVSNGZ-ZDFPQIBNSA-N 0 3 420.900 3.302 50 0 HGAAHN CCOC(=O)C1C(CN2CC[C@@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214273 568594603 /nfs/dbraw/zinc/59/46/03/568594603.db2.gz WCLXLKQTPFXVDL-XMSQKQJNSA-N 0 3 423.488 3.486 50 0 HGAAHN O=C(NCCN1CCCC1)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000020388595 568604034 /nfs/dbraw/zinc/60/40/34/568604034.db2.gz MZNLVVKIBDFBRA-UHFFFAOYSA-N 0 3 411.531 3.051 50 0 HGAAHN COc1ccc(-c2noc(CC(=O)NC3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000020515994 568623416 /nfs/dbraw/zinc/62/34/16/568623416.db2.gz GPGFSFHVSAEZLU-UHFFFAOYSA-N 0 3 406.486 3.069 50 0 HGAAHN CN(C)Cc1c2ccccc2oc1C(=O)N1CCN(c2cc(C3(C)CC3)[nH]n2)CC1 ZINC000225398975 568634073 /nfs/dbraw/zinc/63/40/73/568634073.db2.gz ASTGQMGXKLUXLM-UHFFFAOYSA-N 0 3 407.518 3.231 50 0 HGAAHN C[C@H]1CCCCN1CCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1 ZINC000020862010 568646143 /nfs/dbraw/zinc/64/61/43/568646143.db2.gz HBNXSEOYYXNMRF-INIZCTEOSA-N 0 3 416.591 3.083 50 0 HGAAHN CCCCn1nc(C)c(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c1Cl ZINC000096013936 568685371 /nfs/dbraw/zinc/68/53/71/568685371.db2.gz BPYWUMJVQFXBGI-UHFFFAOYSA-N 0 3 410.006 3.135 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000012389557 568692056 /nfs/dbraw/zinc/69/20/56/568692056.db2.gz RDUBRJPPFZPBSB-GOSISDBHSA-N 0 3 411.933 3.474 50 0 HGAAHN O=S(=O)(c1ccc(NC2CCN(Cc3ccccc3)CC2)nc1)N1CCCCC1 ZINC000005938313 568831145 /nfs/dbraw/zinc/83/11/45/568831145.db2.gz SCCJDKSWYPWZJQ-UHFFFAOYSA-N 0 3 414.575 3.333 50 0 HGAAHN Cc1ccc(-n2c(CC(=O)NCCN3CCCC[C@H]3C)c3[nH]cccc-3c2=O)cc1 ZINC000230114148 568847483 /nfs/dbraw/zinc/84/74/83/568847483.db2.gz BPYJVMITHDWYSX-NQIIRXRSSA-N 0 3 406.530 3.472 50 0 HGAAHN Cc1cc(CNC2CCN(c3cccc(NC(=O)c4ccncc4)c3)CC2)nn1C ZINC000299754999 568872647 /nfs/dbraw/zinc/87/26/47/568872647.db2.gz BGBDZPVLYSFDNE-UHFFFAOYSA-N 0 3 404.518 3.134 50 0 HGAAHN Cc1ccoc1C(=O)N1CCC2(C[C@@H]2C(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000299771897 568874355 /nfs/dbraw/zinc/87/43/55/568874355.db2.gz XCVGVGQAXDYHMU-HXUWFJFHSA-N 0 3 413.562 3.307 50 0 HGAAHN CCN(CC)CCNC(=O)C[S@](=O)Cc1nc(-c2ccc(Cl)cc2)oc1C ZINC000004034663 568879112 /nfs/dbraw/zinc/87/91/12/568879112.db2.gz VDOAZWOFFDIXEM-MHZLTWQESA-N 0 3 411.955 3.010 50 0 HGAAHN Cn1cnnc1Sc1ccc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)o1 ZINC000670448171 568918882 /nfs/dbraw/zinc/91/88/82/568918882.db2.gz HEQRKHWKVYNUCH-IBGZPJMESA-N 0 3 409.559 3.234 50 0 HGAAHN O=C(Cn1cnc2ccsc2c1=O)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000670457682 568942447 /nfs/dbraw/zinc/94/24/47/568942447.db2.gz CNQSVNWZFOOVIL-IBGZPJMESA-N 0 3 410.543 3.192 50 0 HGAAHN Cc1nc(C(=O)NC2CCN(CCOc3ccc(Br)cc3)CC2)cs1 ZINC000084271981 568945607 /nfs/dbraw/zinc/94/56/07/568945607.db2.gz WTCIBIQTFZVAMX-UHFFFAOYSA-N 0 3 424.364 3.487 50 0 HGAAHN O=C(Cn1cnc2ccccc2c1=O)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000670460775 568951529 /nfs/dbraw/zinc/95/15/29/568951529.db2.gz QGDSSROYSWXEPF-JOCHJYFZSA-N 0 3 404.514 3.130 50 0 HGAAHN COc1cc(OC)cc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)NC3(C)C)c1 ZINC000004275256 568962199 /nfs/dbraw/zinc/96/21/99/568962199.db2.gz GZGPVAOVHBDKMZ-UHFFFAOYSA-N 0 3 417.531 3.276 50 0 HGAAHN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)ccc2S1 ZINC000015730461 568980962 /nfs/dbraw/zinc/98/09/62/568980962.db2.gz SBASDDVKESAWDR-OAHLLOKOSA-N 0 3 423.604 3.148 50 0 HGAAHN CC1CCN([C@@H](CNC(=O)Cn2cnc3ccccc3c2=O)c2cccs2)CC1 ZINC000008272674 568986533 /nfs/dbraw/zinc/98/65/33/568986533.db2.gz SQUQAVVIJSDMML-IBGZPJMESA-N 0 3 410.543 3.047 50 0 HGAAHN CCN(CC)[C@@H](CNC(=O)COc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000012819052 568990678 /nfs/dbraw/zinc/99/06/78/568990678.db2.gz HVSMNPVMPATYNA-QFIPXVFZSA-N 0 3 409.530 3.392 50 0 HGAAHN O=C(CCn1c(=O)oc2cc(Cl)ccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000012870949 569013273 /nfs/dbraw/zinc/01/32/73/569013273.db2.gz VLMSGSSIZGTBBG-UHFFFAOYSA-N 0 3 413.905 3.419 50 0 HGAAHN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCCN4CCCCC4)C3)nn2)cc1 ZINC000035398057 569035015 /nfs/dbraw/zinc/03/50/15/569035015.db2.gz OQDPSEJSFCBUJO-OAQYLSRUSA-N 0 3 407.562 3.271 50 0 HGAAHN O=C(NCCN1CCCCC1)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000035398031 569035027 /nfs/dbraw/zinc/03/50/27/569035027.db2.gz VVHKODJRLZGJBG-LJQANCHMSA-N 0 3 411.525 3.101 50 0 HGAAHN Cc1nnc(-c2ccc3ccn(CC(=O)N4CCN(C5CCCCC5)CC4)c3c2)o1 ZINC000035461904 569038027 /nfs/dbraw/zinc/03/80/27/569038027.db2.gz FIHWADKVVSJNJG-UHFFFAOYSA-N 0 3 407.518 3.477 50 0 HGAAHN CSCC[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2)[C@@]2(N1)c1ccccc1N(C)C2=O ZINC000227305952 569039999 /nfs/dbraw/zinc/03/99/99/569039999.db2.gz APWAKIVXOCBAOL-CDMIOBSGSA-N 0 3 413.518 3.367 50 0 HGAAHN CCCCc1ncc(CN2CCC3(CCC(=O)N([C@H]4CC[C@H](O)CC4)C3)CC2)[nH]1 ZINC000243957155 569055127 /nfs/dbraw/zinc/05/51/27/569055127.db2.gz CGSPHKDNJOLLRK-MXVIHJGJSA-N 0 3 402.583 3.260 50 0 HGAAHN NC(=[NH2+])NCCC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000004794478 569071494 /nfs/dbraw/zinc/07/14/94/569071494.db2.gz XOPFDFWTKCSBGX-QFIPXVFZSA-N 0 3 416.525 3.285 50 0 HGAAHN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(C5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019369860 569124388 /nfs/dbraw/zinc/12/43/88/569124388.db2.gz FXYPTAKKGKQTFF-BRKXNLHOSA-N 0 3 416.606 3.222 50 0 biogenic HGAAHN CCOC[C@@H](O)CN(CCCOC)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036312945 569133093 /nfs/dbraw/zinc/13/30/93/569133093.db2.gz RFPPXSBNCXSCGQ-FQEVSTJZSA-N 0 3 417.550 3.178 50 0 HGAAHN Cc1ccc(-c2cc3n(n2)[C@@H](NCCCN2CCc4ccccc4C2)CNC3=O)cc1 ZINC000169754491 569161129 /nfs/dbraw/zinc/16/11/29/569161129.db2.gz UGKMAIKMZKGZPJ-XMMPIXPASA-N 0 3 415.541 3.139 50 0 HGAAHN CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1Cc2ccccc2C1=O ZINC000006872165 569162304 /nfs/dbraw/zinc/16/23/04/569162304.db2.gz NKTSRGFUFVXXRU-HSZRJFAPSA-N 0 3 405.542 3.448 50 0 HGAAHN O=C(NCCN1CCCCC1)[C@@H]1CCc2sc(C(=O)N3CCCCCC3)cc2C1 ZINC000065273151 569216054 /nfs/dbraw/zinc/21/60/54/569216054.db2.gz GBWIXEDZKOMUQI-GOSISDBHSA-N 0 3 417.619 3.471 50 0 HGAAHN CN(C)CCOc1cccc(CC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000170600261 569242999 /nfs/dbraw/zinc/24/29/99/569242999.db2.gz FDOSJTZLTNLAAO-GOSISDBHSA-N 0 3 411.329 3.326 50 0 HGAAHN C[C@H](c1nc(-c2ccccc2)no1)N1CCN(CC2CCC3(CC2)OCCO3)CC1 ZINC000170612233 569246458 /nfs/dbraw/zinc/24/64/58/569246458.db2.gz OWXMCFDETWFBGF-GOSISDBHSA-N 0 3 412.534 3.349 50 0 HGAAHN CS[C@H]1CN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)C[C@@H]1N(C)C ZINC000089637011 569261484 /nfs/dbraw/zinc/26/14/84/569261484.db2.gz JBAUFOGDFHFJDL-ROUUACIJSA-N 0 3 405.589 3.077 50 0 HGAAHN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@H](c1ccccc1)C1CCCCC1 ZINC000089644434 569261553 /nfs/dbraw/zinc/26/15/53/569261553.db2.gz FCMILTNGHOMPCQ-JOCHJYFZSA-N 0 3 415.559 3.492 50 0 HGAAHN NC(=O)[C@H]1CCCN1C1CCN(Cc2cc(Br)ccc2Cl)CC1 ZINC000089768232 569263682 /nfs/dbraw/zinc/26/36/82/569263682.db2.gz HGLHRJRYZNSWIB-MRXNPFEDSA-N 0 3 400.748 3.017 50 0 HGAAHN CCCCOc1ccc(-c2nnc(CN3CC[C@@H](N4CCN(CC)CC4)C3)o2)cc1 ZINC000089954824 569269820 /nfs/dbraw/zinc/26/98/20/569269820.db2.gz NKYKALLLJBVABZ-HXUWFJFHSA-N 0 3 413.566 3.127 50 0 HGAAHN C=CC(=O)NCc1ccc(C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)cc1 ZINC000195641738 569284998 /nfs/dbraw/zinc/28/49/98/569284998.db2.gz DMMOZOSPCCFASB-OAQYLSRUSA-N 0 3 419.525 3.207 50 0 HGAAHN COc1cccc(N2CCN(C3CCN(C[C@H]4COc5ccccc5O4)CC3)CC2)c1 ZINC000252492659 569290597 /nfs/dbraw/zinc/29/05/97/569290597.db2.gz MRSRAUYUHDOUKR-QHCPKHFHSA-N 0 3 423.557 3.122 50 0 HGAAHN CN(C)[C@H](CNC(=O)c1cccc(I)c1)Cc1ccccc1 ZINC000007683612 569300551 /nfs/dbraw/zinc/30/05/51/569300551.db2.gz CVYWFTVEPSYLII-KRWDZBQOSA-N 0 3 408.283 3.194 50 0 HGAAHN CC(C)N1CCN([C@@H]2CCOC3(CCN(C(=O)NC4CCCCC4)CC3)C2)CC1 ZINC000581819829 569320873 /nfs/dbraw/zinc/32/08/73/569320873.db2.gz NFYRNQOTKMGPPE-OAQYLSRUSA-N 0 3 406.615 3.068 50 0 HGAAHN Cc1csc2nc(CN[C@@H]3[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]3C)cc(=O)n12 ZINC000253417309 569367425 /nfs/dbraw/zinc/36/74/25/569367425.db2.gz FUZGSLRUGRWWST-SUYBPPKGSA-N 0 3 406.552 3.188 50 0 HGAAHN CN(C(=O)CC[C@@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1)C1CCN(C)CC1 ZINC000012386676 569381954 /nfs/dbraw/zinc/38/19/54/569381954.db2.gz AXJDKPZLUUGVAK-SFHVURJKSA-N 0 3 419.997 3.454 50 0 HGAAHN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CCN1CCc2ccccc2C1 ZINC000002385605 569391840 /nfs/dbraw/zinc/39/18/40/569391840.db2.gz HBHNHGKOBGIWJS-UHFFFAOYSA-N 0 3 407.470 3.350 50 0 HGAAHN COc1cc(OC)cc(C(=O)N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000079026023 569424924 /nfs/dbraw/zinc/42/49/24/569424924.db2.gz WLFWSHBEPLDWJJ-HSZRJFAPSA-N 0 3 412.530 3.221 50 0 HGAAHN COc1cccc(CNC(=O)c2ccc(N3CCN[C@@H](c4ccccc4)C3)nc2)c1 ZINC000039229406 571121935 /nfs/dbraw/zinc/12/19/35/571121935.db2.gz YMLOBIJLSKQXLL-JOCHJYFZSA-N 0 3 402.498 3.171 50 0 HGAAHN CCN(CC)[C@@H](CNC(=O)N1CCN(c2nccs2)CC1)c1cccc(OC)c1 ZINC000040071230 571152050 /nfs/dbraw/zinc/15/20/50/571152050.db2.gz HCLHSGPNMDXOSM-IBGZPJMESA-N 0 3 417.579 3.066 50 0 HGAAHN CN(C)C[C@H](CNC(=O)Nc1cccc(N2CCCCC2=O)c1)[C@H](O)c1ccccc1 ZINC000040104955 571165713 /nfs/dbraw/zinc/16/57/13/571165713.db2.gz GWZYOBTUZIUZIP-WMZHIEFXSA-N 0 3 424.545 3.236 50 0 HGAAHN COC(=O)c1ccc(OCCN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000040153360 571200871 /nfs/dbraw/zinc/20/08/71/571200871.db2.gz NNNBNURKBGGOKL-UHFFFAOYSA-N 0 3 423.435 3.478 50 0 HGAAHN CCOC(=O)c1sc2nc3c(cc2c1NC(=O)CNC(C)C)COC(C)(C)C3 ZINC000008993552 571207948 /nfs/dbraw/zinc/20/79/48/571207948.db2.gz CTLQOVWNSJPIHL-UHFFFAOYSA-N 0 3 405.520 3.261 50 0 HGAAHN CC(C)NC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000069815844 571245762 /nfs/dbraw/zinc/24/57/62/571245762.db2.gz PBSPASNKZASZGX-NRFANRHFSA-N 0 3 400.567 3.360 50 0 HGAAHN O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)Nc1cccc(N2CCNC2=O)c1 ZINC000070011275 571253807 /nfs/dbraw/zinc/25/38/07/571253807.db2.gz MDCSPEDBJXNEBY-IBGZPJMESA-N 0 3 407.518 3.250 50 0 HGAAHN O[C@@H](COc1ccc(CN2CCN(c3ccccc3)CC2)cc1)CN1CCCCC1 ZINC000011667614 132349148 /nfs/dbraw/zinc/34/91/48/132349148.db2.gz PIDITBXHUCRDFI-XMMPIXPASA-N 0 3 409.574 3.234 50 0 HGAAHN O=C(CC[C@@H]1CCCN(Cc2cccc(O)c2)C1)N1CCN(c2ccccn2)CC1 ZINC000012111667 132354165 /nfs/dbraw/zinc/35/41/65/132354165.db2.gz OGQHAUQVJOVCJG-FQEVSTJZSA-N 0 3 408.546 3.128 50 0 HGAAHN CCN1CCN(c2ccc(NC(=O)CCNC(=O)NC3CCCCC3)c(C)c2)CC1 ZINC000032410879 521698008 /nfs/dbraw/zinc/69/80/08/521698008.db2.gz UFFOEWXOPOGDJX-UHFFFAOYSA-N 0 3 415.582 3.097 50 0 HGAAHN CN(C)[C@H]1Cc2ccccc2N(C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000225460122 522108205 /nfs/dbraw/zinc/10/82/05/522108205.db2.gz MCCRXIXJLQKVMB-MJGOQNOKSA-N 0 3 416.566 3.336 50 0 HGAAHN COc1cc(OC)c(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)c(OC)c1 ZINC000020601262 522792720 /nfs/dbraw/zinc/79/27/20/522792720.db2.gz BPVSHKNEWYZKEU-IBGZPJMESA-N 0 3 406.567 3.161 50 0 HGAAHN CN1CCC2(CC1)C[C@@H](NC(=O)c1ccc3c(c1)NC(=O)CS3)c1ccccc1O2 ZINC000032676322 523786057 /nfs/dbraw/zinc/78/60/57/523786057.db2.gz KYFCYFAEHROHPZ-GOSISDBHSA-N 0 3 423.538 3.449 50 0 HGAAHN COc1ccc(CN2CCN(C3CSCCSC3)C[C@@H]2CCO)c(C)c1C ZINC000020539622 524031531 /nfs/dbraw/zinc/03/15/31/524031531.db2.gz JNJLZAUXPSWJCE-IBGZPJMESA-N 0 3 410.649 3.029 50 0 HGAAHN COc1ccc([C@H](CNC(=O)CSCC(=O)Nc2cccc(C)c2)N(C)C)cc1 ZINC000021912231 525357727 /nfs/dbraw/zinc/35/77/27/525357727.db2.gz YKLIZVKPCKQVCD-FQEVSTJZSA-N 0 3 415.559 3.094 50 0 HGAAHN Cc1cc2nc(C(F)(F)F)c(=O)n([C@H](C)C(=O)NCCN3CCCCC3)c2cc1C ZINC000032945019 525668628 /nfs/dbraw/zinc/66/86/28/525668628.db2.gz QYXPABXBWFXFNP-OAHLLOKOSA-N 0 3 424.467 3.195 50 0 HGAAHN COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(C)cc2)CC3)c1 ZINC000020600889 525829945 /nfs/dbraw/zinc/82/99/45/525829945.db2.gz RIDDYXKGZLPNJP-GOSISDBHSA-N 0 3 419.529 3.144 50 0 HGAAHN O=C(Cn1cnc2c3ccccc3oc2c1=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000032217655 527400917 /nfs/dbraw/zinc/40/09/17/527400917.db2.gz KYNBRFQEHHOEKQ-IBGZPJMESA-N 0 3 416.481 3.096 50 0 HGAAHN NC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000004271419 557534013 /nfs/dbraw/zinc/53/40/13/557534013.db2.gz VSMHGSGLCNLQJA-UHFFFAOYSA-N 0 3 420.557 3.098 50 0 HGAAHN CN(Cc1ccccc1)C1(CNC(=O)/C=C/c2cnn(C)c2)Cc2ccccc2C1 ZINC000019720726 558259058 /nfs/dbraw/zinc/25/90/58/558259058.db2.gz KWKNMPVIEOSQBK-OUKQBFOZSA-N 0 3 400.526 3.219 50 0 HGAAHN Cc1cccc(CN2CCC3(C[C@@H]3C(=O)NCCc3nc4ccccc4n3C)CC2)n1 ZINC000011789623 558277249 /nfs/dbraw/zinc/27/72/49/558277249.db2.gz KCBAQQGEMSFQIZ-HXUWFJFHSA-N 0 3 417.557 3.238 50 0 HGAAHN CCc1nccn1CCC(=O)N(C)CC1CCN(CCc2ccccc2F)CC1 ZINC000011819222 558282445 /nfs/dbraw/zinc/28/24/45/558282445.db2.gz NXTJQSXCKSYAKO-UHFFFAOYSA-N 0 3 400.542 3.388 50 0 HGAAHN COC(=O)c1ccc(N2C(=O)C[C@H](NCCC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000019848349 558294887 /nfs/dbraw/zinc/29/48/87/558294887.db2.gz ADRMXWZYTIGXGZ-ZDCBYCKXSA-N 0 3 410.514 3.301 50 0 HGAAHN COc1ccc(CN2CCC3(CC[C@@H](CNC(=O)c4cccnc4)O3)CC2)cc1C ZINC000011970855 558304733 /nfs/dbraw/zinc/30/47/33/558304733.db2.gz GPGLAQTVVLISTR-NRFANRHFSA-N 0 3 409.530 3.342 50 0 HGAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN(CCCC(F)(F)F)CC1 ZINC000012005461 558309267 /nfs/dbraw/zinc/30/92/67/558309267.db2.gz PMFABKQOBGTVIQ-UHFFFAOYSA-N 0 3 418.456 3.257 50 0 HGAAHN Cc1ncoc1C(=O)N1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000012050631 558313860 /nfs/dbraw/zinc/31/38/60/558313860.db2.gz CNWZWLDSRJOOIX-OAQYLSRUSA-N 0 3 424.545 3.006 50 0 HGAAHN CN(C[C@H]1CCCCN1C)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000012073657 558318637 /nfs/dbraw/zinc/31/86/37/558318637.db2.gz ALYPXKQQURDNET-OAQYLSRUSA-N 0 3 403.530 3.472 50 0 HGAAHN COc1ccc(CCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1OC ZINC000020100444 558331699 /nfs/dbraw/zinc/33/16/99/558331699.db2.gz RJYDBJFPBHVUKV-UHFFFAOYSA-N 0 3 400.494 3.414 50 0 HGAAHN COc1ccc2c(c1)C=C(CN1CCN(Cc3ccccc3C)[C@@H](CCO)C1)CO2 ZINC000020452806 558367164 /nfs/dbraw/zinc/36/71/64/558367164.db2.gz VOZDFMKRDAILGC-QHCPKHFHSA-N 0 3 408.542 3.348 50 0 HGAAHN O=C(c1nc2ccc(Cl)cn2c1CNCCn1ccnc1)N1CCCCCCC1 ZINC000012305927 558374774 /nfs/dbraw/zinc/37/47/74/558374774.db2.gz BKCKUQNTMCRCKM-UHFFFAOYSA-N 0 3 414.941 3.380 50 0 HGAAHN CCN1CCN(C[C@H](O)COc2cccc(CN(C)Cc3ccc(C)cc3)c2)CC1 ZINC000020779185 558412500 /nfs/dbraw/zinc/41/25/00/558412500.db2.gz GBNJHYIUYNAYBF-DEOSSOPVSA-N 0 3 411.590 3.004 50 0 HGAAHN Fc1ccccc1N1CCN([C@@H]2CCCN(Cc3cccn3-c3ncccn3)C2)CC1 ZINC000020998427 558427506 /nfs/dbraw/zinc/42/75/06/558427506.db2.gz MKCXSDICNCIYER-HXUWFJFHSA-N 0 3 420.536 3.193 50 0 HGAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN(CCc2ccccc2)CC1 ZINC000012715664 558455093 /nfs/dbraw/zinc/45/50/93/558455093.db2.gz MWDLMFIRHCQAQA-UHFFFAOYSA-N 0 3 412.530 3.157 50 0 HGAAHN O=C(CSc1nnc(CCC2CCCC2)[nH]1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000023080921 558533969 /nfs/dbraw/zinc/53/39/69/558533969.db2.gz BJTJTHUFKMANSM-IBGZPJMESA-N 0 3 413.591 3.410 50 0 HGAAHN O=C(CSc1n[nH]c(CCC2CCCC2)n1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000023080921 558533972 /nfs/dbraw/zinc/53/39/72/558533972.db2.gz BJTJTHUFKMANSM-IBGZPJMESA-N 0 3 413.591 3.410 50 0 HGAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc(F)c1 ZINC000023382162 558555486 /nfs/dbraw/zinc/55/54/86/558555486.db2.gz YUBFEJKUTKNPGE-APWZRJJASA-N 0 3 408.433 3.271 50 0 HGAAHN O=C(Cc1csc(NC(=O)c2ccco2)n1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000023739123 558572637 /nfs/dbraw/zinc/57/26/37/558572637.db2.gz YUBRGSPLIQSBGR-GOSISDBHSA-N 0 3 424.526 3.484 50 0 HGAAHN CN(C)S(=O)(=O)c1ccc(OCCN2CCc3sccc3[C@@H]2C2CC2)cc1 ZINC000024768786 558611940 /nfs/dbraw/zinc/61/19/40/558611940.db2.gz YZQWABQKTZHZTO-FQEVSTJZSA-N 0 3 406.573 3.387 50 0 HGAAHN COc1ccc([C@H](CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)N(C)C)cc1 ZINC000014201489 558636793 /nfs/dbraw/zinc/63/67/93/558636793.db2.gz UBFIMBZCQKENJE-QHCPKHFHSA-N 0 3 406.530 3.459 50 0 HGAAHN CC(C)N1C(=O)N(CCc2ccccc2)C2(CCN([C@H]3CCSC3)CC2)C1=O ZINC000014755152 558671684 /nfs/dbraw/zinc/67/16/84/558671684.db2.gz MUJXCAWXFHNKNI-IBGZPJMESA-N 0 3 401.576 3.242 50 0 HGAAHN CN(CCc1ccccn1)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000014881579 558676189 /nfs/dbraw/zinc/67/61/89/558676189.db2.gz SBUXMWIIYDWXBD-HSZRJFAPSA-N 0 3 416.525 3.252 50 0 HGAAHN C[C@H](Oc1ccccc1)C(=O)NC[C@H]1CCC2(CCN(Cc3ccncc3)CC2)O1 ZINC000014883628 558676948 /nfs/dbraw/zinc/67/69/48/558676948.db2.gz PYJZJMHPBPNGNU-SIKLNZKXSA-N 0 3 409.530 3.179 50 0 HGAAHN CN(CCC(=O)NCc1ccccc1Cl)Cc1ccccc1N1CCOCC1 ZINC000028901075 558706948 /nfs/dbraw/zinc/70/69/48/558706948.db2.gz OCCOHNISFUWTPO-UHFFFAOYSA-N 0 3 401.938 3.315 50 0 HGAAHN Cc1ccc(CN2CCC(CNC(=O)[C@@H]3CCCN(c4nccc(C)n4)C3)CC2)cc1 ZINC000035454289 558792126 /nfs/dbraw/zinc/79/21/26/558792126.db2.gz DVCUFBDSRQVVGV-HSZRJFAPSA-N 0 3 421.589 3.338 50 0 HGAAHN COc1ccc(OCCNCC(=O)N(C)Cc2ccccc2Br)cc1 ZINC000016695479 558801026 /nfs/dbraw/zinc/80/10/26/558801026.db2.gz HNUKSNNWWXZFBC-UHFFFAOYSA-N 0 3 407.308 3.085 50 0 HGAAHN COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)ccc1O ZINC000016752090 558805042 /nfs/dbraw/zinc/80/50/42/558805042.db2.gz IYEDMHPOLNRHJP-OAQYLSRUSA-N 0 3 422.481 3.313 50 0 HGAAHN COc1ccc(-n2ccnc2CN2CCN(CC3CCCCC3)[C@H](CCO)C2)cc1 ZINC000039412618 558821037 /nfs/dbraw/zinc/82/10/37/558821037.db2.gz BTKUCLKVOZMAQD-JOCHJYFZSA-N 0 3 412.578 3.330 50 0 HGAAHN CCOC(=O)N1CCC(N(CCN(C)C)C(=S)Nc2cccc(CC)c2)CC1 ZINC000004669445 558877221 /nfs/dbraw/zinc/87/72/21/558877221.db2.gz ADCBUCFLRHXPOO-UHFFFAOYSA-N 0 3 406.596 3.430 50 0 HGAAHN CCOC(=O)c1ccc(NC(=O)CC2C(=O)Nc3c(-c4ccccc4)cnn32)cc1 ZINC000071285505 558896686 /nfs/dbraw/zinc/89/66/86/558896686.db2.gz HREMGDIYIXNOLT-GOSISDBHSA-N 0 3 404.426 3.249 50 0 HGAAHN Cc1ccnc(N2CCC(C(=O)NCc3ccc(CN4CCCCCC4)o3)CC2)n1 ZINC000065001922 558968804 /nfs/dbraw/zinc/96/88/04/558968804.db2.gz RMVUEBHSNABQEZ-UHFFFAOYSA-N 0 3 411.550 3.287 50 0 HGAAHN CCN1CCCN(c2ccc(C(=O)N3CCC[C@H](C(=O)CC(C)C)C3)cn2)CC1 ZINC000067787597 558992869 /nfs/dbraw/zinc/99/28/69/558992869.db2.gz GKVPFXJJXRHYEN-FQEVSTJZSA-N 0 3 400.567 3.081 50 0 HGAAHN Cc1ccc(NC(=O)COc2ccc(Br)cc2CNCCN(C)C)cc1 ZINC000095326494 559079539 /nfs/dbraw/zinc/07/95/39/559079539.db2.gz WQTMCGIKFUJRBT-UHFFFAOYSA-N 0 3 420.351 3.426 50 0 HGAAHN O=C(c1cnc[nH]1)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000095502297 559082618 /nfs/dbraw/zinc/08/26/18/559082618.db2.gz OHSVOMWBJGWQGX-IBGZPJMESA-N 0 3 400.498 3.082 50 0 HGAAHN COCc1ccc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)s1 ZINC000095516431 559084408 /nfs/dbraw/zinc/08/44/08/559084408.db2.gz QICNHRDGJAFCIK-UHFFFAOYSA-N 0 3 402.564 3.263 50 0 HGAAHN O=C(c1cc[nH]n1)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000095519458 559084970 /nfs/dbraw/zinc/08/49/70/559084970.db2.gz ZOQNVKDNYBFIPM-IBGZPJMESA-N 0 3 400.498 3.082 50 0 HGAAHN O=C(c1ccn[nH]1)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000095519458 559084972 /nfs/dbraw/zinc/08/49/72/559084972.db2.gz ZOQNVKDNYBFIPM-IBGZPJMESA-N 0 3 400.498 3.082 50 0 HGAAHN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCN(C2CC2)CC1 ZINC000011527205 559087723 /nfs/dbraw/zinc/08/77/23/559087723.db2.gz ABUYMDATXFJPFH-GOSISDBHSA-N 0 3 412.361 3.491 50 0 HGAAHN C[C@@H](NC(=O)CCC[S@@](=O)c1ccc(Br)cc1)C(C)(C)CN(C)C ZINC000072297867 559119429 /nfs/dbraw/zinc/11/94/29/559119429.db2.gz ZVSYDZKYKYZOBF-SHACYNPGSA-N 0 3 417.413 3.429 50 0 HGAAHN CN(C)CCn1c(=O)nc(SCC(=O)Nc2ccc(Cl)cc2)c2c1CCCC2 ZINC000005254432 560552115 /nfs/dbraw/zinc/55/21/15/560552115.db2.gz XBGREGVTBLEYFV-UHFFFAOYSA-N 0 3 420.966 3.068 50 0 HGAAHN COc1ccccc1[C@@H]1c2ccc(O)cc2Oc2ncn(CCCN(C)C)c(=N)c21 ZINC000005348784 560571096 /nfs/dbraw/zinc/57/10/96/560571096.db2.gz NRBALVWYGYRCKN-HXUWFJFHSA-N 0 3 406.486 3.314 50 0 HGAAHN COc1ccc(CCNCC(=O)Nc2cc(N(C)C)nc3ccccc32)cc1OC ZINC000005695702 560786325 /nfs/dbraw/zinc/78/63/25/560786325.db2.gz HCBRYXQVMSLAOZ-UHFFFAOYSA-N 0 3 408.502 3.089 50 0 HGAAHN CSc1ncc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)n1-c1ccccc1 ZINC000048355738 568441511 /nfs/dbraw/zinc/44/15/11/568441511.db2.gz LJYDFLFZUYACKS-IAGOWNOFSA-N 0 3 402.564 3.213 50 0 HGAAHN O=C1C[C@H](c2ccc(Cl)cc2)[C@H](n2cncn2)C(=O)[C@H]1[C@@H]1NCCc2ccccc21 ZINC000049581144 568452829 /nfs/dbraw/zinc/45/28/29/568452829.db2.gz NBBYHVVEXVSNGZ-NMIHRBCNSA-N 0 3 420.900 3.302 50 0 HGAAHN CCN(CC)CCN(C(=O)c1cc(C)nn1C)c1nc2ccc(OC)cc2s1 ZINC000012286778 568458670 /nfs/dbraw/zinc/45/86/70/568458670.db2.gz WRLSQSTWVRFVEH-UHFFFAOYSA-N 0 3 401.536 3.335 50 0 HGAAHN CN(CCCNC(=O)c1cc(=O)n2c3ccccc3nc2s1)Cc1ccccc1 ZINC000033008845 568510317 /nfs/dbraw/zinc/51/03/17/568510317.db2.gz QTRBFWITKRRHIG-UHFFFAOYSA-N 0 3 406.511 3.161 50 0 HGAAHN C=CC(=O)NCc1ccc(C(=O)NC[C@H]2CCCN(C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000261489596 568512974 /nfs/dbraw/zinc/51/29/74/568512974.db2.gz YPZMULKUINXMRG-QPPBQGQZSA-N 0 3 421.541 3.310 50 0 HGAAHN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(CN(C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000095460783 568620450 /nfs/dbraw/zinc/62/04/50/568620450.db2.gz RTIZAPRRXLLGSQ-SFTDATJTSA-N 0 3 416.566 3.208 50 0 HGAAHN O=S(=O)(NCCCN1CCCC1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977970 568653968 /nfs/dbraw/zinc/65/39/68/568653968.db2.gz LLCKLZABULWXIG-UHFFFAOYSA-N 0 3 409.455 3.186 50 0 HGAAHN CC(C)[C@H](NCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 ZINC000021584315 568720181 /nfs/dbraw/zinc/72/01/81/568720181.db2.gz VYPVGPUBAVECHM-UNMCSNQZSA-N 0 3 406.592 3.324 50 0 HGAAHN CN(CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCCN21)Cc1ccccc1 ZINC000021647085 568728149 /nfs/dbraw/zinc/72/81/49/568728149.db2.gz LMSMFUWRRRGJAP-JOCHJYFZSA-N 0 3 406.530 3.250 50 0 HGAAHN CN(CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O)Cc1ccccc1 ZINC000003010132 568837595 /nfs/dbraw/zinc/83/75/95/568837595.db2.gz RSCUFRMSOHVKDA-UHFFFAOYSA-N 0 3 424.932 3.202 50 0 HGAAHN COc1ccc([C@H](CNC(=O)NCc2ccc(NC(=O)C(C)C)cc2)N(C)C)cc1 ZINC000030987179 568907669 /nfs/dbraw/zinc/90/76/69/568907669.db2.gz VBSIEPMACPNTSG-NRFANRHFSA-N 0 3 412.534 3.392 50 0 HGAAHN O=C(Cn1ncc2ccccc2c1=O)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000670445283 568911241 /nfs/dbraw/zinc/91/12/41/568911241.db2.gz MBKRLNCHQFGYDX-JOCHJYFZSA-N 0 3 404.514 3.130 50 0 HGAAHN O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCN2CCC[C@H]2C1 ZINC000004199801 568951251 /nfs/dbraw/zinc/95/12/51/568951251.db2.gz DKBNJAUUKBWPGF-HNNXBMFYSA-N 0 3 415.419 3.335 50 0 HGAAHN Cc1cc(=O)c(C(=O)NCc2ccccc2CN2CCCC2)nn1-c1ccccc1F ZINC000008013090 568968431 /nfs/dbraw/zinc/96/84/31/568968431.db2.gz XTJKDRJGVMJERH-UHFFFAOYSA-N 0 3 420.488 3.206 50 0 HGAAHN O=C(CN1CCC[C@@H]2CCCC[C@@H]21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008156372 568977971 /nfs/dbraw/zinc/97/79/71/568977971.db2.gz ZQZFAMGYCSJFQO-PXNSSMCTSA-N 0 3 405.564 3.064 50 0 HGAAHN CCc1ccc([C@H](CNC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)N(C)C)cc1 ZINC000012909419 569021745 /nfs/dbraw/zinc/02/17/45/569021745.db2.gz VBSVXWMWHDGVOV-LADGPHEKSA-N 0 3 409.574 3.351 50 0 HGAAHN COc1ccc(-c2csc(NC(=O)C3=CC4C=CC=C[C@@H]4OC3=O)n2)c(OC)c1 ZINC000006441389 569052812 /nfs/dbraw/zinc/05/28/12/569052812.db2.gz PYEVZSXBSYBGFU-SJCJKPOMSA-N 0 3 410.451 3.360 50 0 HGAAHN CCOC(=O)C1C(CN2CC[C@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000036080267 569087106 /nfs/dbraw/zinc/08/71/06/569087106.db2.gz WCLXLKQTPFXVDL-AVRDEDQJSA-N 0 3 423.488 3.486 50 0 HGAAHN COc1ccc(-c2cc3ccc(OCCN4CCC(C(N)=O)CC4)cc3oc2=O)cc1 ZINC000006760798 569114184 /nfs/dbraw/zinc/11/41/84/569114184.db2.gz KTSRYMKGWPUNPR-UHFFFAOYSA-N 0 3 422.481 3.045 50 0 HGAAHN C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000036395391 569168728 /nfs/dbraw/zinc/16/87/28/569168728.db2.gz YFRVCXMULMTCAR-JXALWOEJSA-N 0 3 407.558 3.300 50 0 HGAAHN COc1ccc(CNC(=O)c2cccc(N3CCN[C@H](c4ccccc4)C3)n2)cc1 ZINC000065256311 569208444 /nfs/dbraw/zinc/20/84/44/569208444.db2.gz KCOOXLBXJYTJGE-QFIPXVFZSA-N 0 3 402.498 3.171 50 0 HGAAHN O=C(NC1CC1)c1ccc(N2CC[C@@H](NCc3ccc(Br)cc3)C2)nc1 ZINC000065256963 569208557 /nfs/dbraw/zinc/20/85/57/569208557.db2.gz FLRNYSVFBBWYBG-GOSISDBHSA-N 0 3 415.335 3.105 50 0 HGAAHN CN(C)C[C@@H](CNC(=O)Nc1cc2c(cc1Cl)OCCO2)[C@H](O)c1ccccc1 ZINC000065479314 569231598 /nfs/dbraw/zinc/23/15/98/569231598.db2.gz BPDDWYHHXDCHAE-FOIQADDNSA-N 0 3 419.909 3.144 50 0 HGAAHN CCN1CCC[C@@H](NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000065497076 569232332 /nfs/dbraw/zinc/23/23/32/569232332.db2.gz SSNHPGYRRZDWGI-DOTOQJQBSA-N 0 3 409.372 3.059 50 0 HGAAHN CN(C)CCOc1cccc(CC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000170600260 569242995 /nfs/dbraw/zinc/24/29/95/569242995.db2.gz FDOSJTZLTNLAAO-SFHVURJKSA-N 0 3 411.329 3.326 50 0 HGAAHN CN(C)C1(CN(C)C(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)CCC1 ZINC000170602932 569243820 /nfs/dbraw/zinc/24/38/20/569243820.db2.gz VLCLKRUVZPBHDQ-UHFFFAOYSA-N 0 3 400.544 3.217 50 0 HGAAHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000089937327 569269106 /nfs/dbraw/zinc/26/91/06/569269106.db2.gz XBHQIULKOZHLCJ-XXBNENTESA-N 0 3 421.541 3.219 50 0 HGAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)c4ccsc4)CC3)C2)CC1 ZINC000581819677 569320682 /nfs/dbraw/zinc/32/06/82/569320682.db2.gz AWRQGJNNVMQLCL-HXUWFJFHSA-N 0 3 405.608 3.176 50 0 HGAAHN CC(C)N1CCN([C@@H]2CCOC3(CCN(C(=O)CCc4ccccc4)CC3)C2)CC1 ZINC000581819824 569320928 /nfs/dbraw/zinc/32/09/28/569320928.db2.gz NDWGUKBXUHQDSO-HSZRJFAPSA-N 0 3 413.606 3.185 50 0 HGAAHN CN(C)C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000078752157 569420280 /nfs/dbraw/zinc/42/02/80/569420280.db2.gz DQLYZGHBQLZQDR-FQEVSTJZSA-N 0 3 415.559 3.068 50 0 HGAAHN O=C(Nc1cccc(OC(F)F)c1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000078975205 569422815 /nfs/dbraw/zinc/42/28/15/569422815.db2.gz SJZWHCIWHXUESG-LPHOPBHVSA-N 0 3 405.445 3.293 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000040033658 571141103 /nfs/dbraw/zinc/14/11/03/571141103.db2.gz YMYPVVOSJBQIJE-UHFFFAOYSA-N 0 3 418.497 3.242 50 0 HGAAHN CCN(CC)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1ccsc1 ZINC000040089480 571159402 /nfs/dbraw/zinc/15/94/02/571159402.db2.gz CMCOUZWKSZPNGS-VQIMIIECSA-N 0 3 403.548 3.393 50 0 HGAAHN COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009407622 571255530 /nfs/dbraw/zinc/25/55/30/571255530.db2.gz FYFHGMWBQDVCQU-IMFGXOCKSA-N 0 3 421.902 3.245 50 0 HGAAHN Cc1ccc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)c3ccccc32)cc1 ZINC000002222927 132249725 /nfs/dbraw/zinc/24/97/25/132249725.db2.gz PMYDLBFYGGRHKY-UHFFFAOYSA-N 0 3 415.541 3.350 50 0 HGAAHN Cc1ccc(N2C[C@H](C(=O)NCCCN3CCc4ccccc4C3)CC2=O)cc1F ZINC000032400949 524984272 /nfs/dbraw/zinc/98/42/72/524984272.db2.gz ASYBDMMWEJHZPJ-HXUWFJFHSA-N 0 3 409.505 3.052 50 0 HGAAHN COc1ccc([C@@H](CNC(=O)CSCC(=O)Nc2cccc(C)c2)N(C)C)cc1 ZINC000021912227 525181903 /nfs/dbraw/zinc/18/19/03/525181903.db2.gz YKLIZVKPCKQVCD-HXUWFJFHSA-N 0 3 415.559 3.094 50 0 HGAAHN COCCN(C[C@@H]1CN(Cc2ccc(C)o2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000034740557 557443989 /nfs/dbraw/zinc/44/39/89/557443989.db2.gz RFSADAQIBLDOOY-UGKGYDQZSA-N 0 3 418.509 3.064 50 0 HGAAHN O=C(Cc1ccccc1)N1C[C@H](C(=O)NCCN2CCCC2)C[C@H](c2ccccc2)C1 ZINC000034738229 557447774 /nfs/dbraw/zinc/44/77/74/557447774.db2.gz SEDHYZBJEMBNIK-BJKOFHAPSA-N 0 3 419.569 3.073 50 0 HGAAHN Cc1cccc(-n2nc(C(=O)NC3CCN(C)CC3)nc2CCc2ccccc2)c1 ZINC000034911788 557476361 /nfs/dbraw/zinc/47/63/61/557476361.db2.gz ABSVSQHCYYGKFT-UHFFFAOYSA-N 0 3 403.530 3.185 50 0 HGAAHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Br)cc1 ZINC000005425099 557653078 /nfs/dbraw/zinc/65/30/78/557653078.db2.gz DYUKMAHIKYBHGF-SFHVURJKSA-N 0 3 412.287 3.395 50 0 HGAAHN CN1CCC(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)CC1 ZINC000002780319 557761675 /nfs/dbraw/zinc/76/16/75/557761675.db2.gz BBOJLARIYKHWGJ-UHFFFAOYSA-N 0 3 409.437 3.301 50 0 HGAAHN CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2ccc(OCCO)cc2)CC1 ZINC000011662220 558265881 /nfs/dbraw/zinc/26/58/81/558265881.db2.gz ZYKKNXZACAYSIP-UHFFFAOYSA-N 0 3 400.523 3.076 50 0 HGAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(Cc3ccncc3)CC2)c(Cl)c1 ZINC000011667906 558269760 /nfs/dbraw/zinc/26/97/60/558269760.db2.gz OFAZUPBFXXPEFE-UHFFFAOYSA-N 0 3 416.953 3.070 50 0 HGAAHN Cc1cc(C)n(C[C@@H](C)NCc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)n1 ZINC000011935505 558299686 /nfs/dbraw/zinc/29/96/86/558299686.db2.gz FLRJTJAYNFOBCV-GOSISDBHSA-N 0 3 408.550 3.260 50 0 HGAAHN Cc1cccc(C(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)n1 ZINC000012024658 558309973 /nfs/dbraw/zinc/30/99/73/558309973.db2.gz ZRBUJLNHOOMJKX-HXUWFJFHSA-N 0 3 412.553 3.445 50 0 HGAAHN CN(C)CCN1C[C@@H](C(=O)NCCC(c2ccccc2)c2ccccc2)CCC1=O ZINC000012075312 558319475 /nfs/dbraw/zinc/31/94/75/558319475.db2.gz YSKWTLFKEWSYQT-QFIPXVFZSA-N 0 3 407.558 3.125 50 0 HGAAHN CSc1cccc(CNCc2ccccc2OC[C@H](O)CN2CCSCC2)c1 ZINC000012075925 558319597 /nfs/dbraw/zinc/31/95/97/558319597.db2.gz HHCDDLSPJWZBIW-HXUWFJFHSA-N 0 3 418.628 3.487 50 0 HGAAHN O=C(CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(F)cc1 ZINC000020103477 558332475 /nfs/dbraw/zinc/33/24/75/558332475.db2.gz AEJFEVDVBWPYAD-QFBILLFUSA-N 0 3 408.433 3.271 50 0 HGAAHN Cc1c(C(=O)N(C)C[C@H]2CCCN(C)C2)cnn1-c1nccc(-c2cccs2)n1 ZINC000012154224 558339566 /nfs/dbraw/zinc/33/95/66/558339566.db2.gz BWOHOCWONCYZOV-INIZCTEOSA-N 0 3 410.547 3.113 50 0 HGAAHN CCc1c(C(=O)NCC(C)(C)CN(C)C)c(=O)cc(C)n1Cc1ccc(OC)cc1 ZINC000012218829 558354741 /nfs/dbraw/zinc/35/47/41/558354741.db2.gz ZOAKLNYUEGSUBZ-UHFFFAOYSA-N 0 3 413.562 3.094 50 0 HGAAHN O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(=O)N(CCN2CCCC2)CC1 ZINC000012278644 558364675 /nfs/dbraw/zinc/36/46/75/558364675.db2.gz SIMRTYIJLAXONC-UHFFFAOYSA-N 0 3 405.542 3.053 50 0 HGAAHN Cn1ccnc1CN(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012298491 558368528 /nfs/dbraw/zinc/36/85/28/558368528.db2.gz LPAALVAXGJTZQG-NRFANRHFSA-N 0 3 400.542 3.452 50 0 HGAAHN O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCCN(C2CCCC2)CC1 ZINC000012298954 558369052 /nfs/dbraw/zinc/36/90/52/558369052.db2.gz GIACVXPPYATNLV-UHFFFAOYSA-N 0 3 405.905 3.209 50 0 HGAAHN Cn1cc(CN2CCC([C@H](O)c3cccnc3)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012308139 558376490 /nfs/dbraw/zinc/37/64/90/558376490.db2.gz ZHGQKQQNXBEIMQ-DEOSSOPVSA-N 0 3 420.513 3.199 50 0 HGAAHN Cc1cc(C)n2nc(C(=O)N(C)[C@H]3CCCN(C4Cc5ccccc5C4)C3)cc2n1 ZINC000012438119 558409809 /nfs/dbraw/zinc/40/98/09/558409809.db2.gz GWRVKXZXQJHUBP-FQEVSTJZSA-N 0 3 403.530 3.050 50 0 HGAAHN CCN1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3ccc(C)cc3)c2)CC1 ZINC000020779182 558412553 /nfs/dbraw/zinc/41/25/53/558412553.db2.gz GBNJHYIUYNAYBF-XMMPIXPASA-N 0 3 411.590 3.004 50 0 HGAAHN CCOc1ccc(CN2CCC(C(=O)N[C@H](C(=O)OC)c3ccccc3)CC2)cc1 ZINC000012628030 558440534 /nfs/dbraw/zinc/44/05/34/558440534.db2.gz JSQBIPBMDGVFBI-QFIPXVFZSA-N 0 3 410.514 3.328 50 0 HGAAHN Cc1ccccc1CN1CCc2nnc([C@H](NC(=O)c3ccoc3)C(C)C)n2CC1 ZINC000023129450 558536953 /nfs/dbraw/zinc/53/69/53/558536953.db2.gz VYVORLDWTSMXCF-OAQYLSRUSA-N 0 3 407.518 3.365 50 0 HGAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(C)cc2F)n2c3ccccc3nc21 ZINC000023411241 558557545 /nfs/dbraw/zinc/55/75/45/558557545.db2.gz BVKGGFDHAQQWDX-IBGZPJMESA-N 0 3 410.449 3.437 50 0 HGAAHN CCCn1nc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c2ccccc2c1=O ZINC000023554676 558562145 /nfs/dbraw/zinc/56/21/45/558562145.db2.gz VJQBEARVPCWGRE-GOSISDBHSA-N 0 3 410.543 3.435 50 0 HGAAHN CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CCN([C@H](C)COC)CC2 ZINC000014532782 558656785 /nfs/dbraw/zinc/65/67/85/558656785.db2.gz BYDBKGLAOFXLQF-GOSISDBHSA-N 0 3 409.530 3.493 50 0 HGAAHN CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](N1CC=C(c3ccccc3)CC1)C2 ZINC000014745309 558668776 /nfs/dbraw/zinc/66/87/76/558668776.db2.gz IWFRDAWXWLNPNV-OAQYLSRUSA-N 0 3 420.557 3.022 50 0 HGAAHN CN(C)C(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)CN(Cc2ccc(O)cc2)C1 ZINC000014747515 558669568 /nfs/dbraw/zinc/66/95/68/558669568.db2.gz HSGGNQZAWVXPQH-RTWAWAEBSA-N 0 3 421.541 3.046 50 0 HGAAHN CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1cccc(O)c1)CC2 ZINC000014747547 558669739 /nfs/dbraw/zinc/66/97/39/558669739.db2.gz IVPZCNTZPHJLHV-UHFFFAOYSA-N 0 3 422.529 3.242 50 0 HGAAHN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](NCc1ccc(F)c(F)c1)CC2 ZINC000014753552 558671481 /nfs/dbraw/zinc/67/14/81/558671481.db2.gz SJDNVWWHTXBIHC-HNNXBMFYSA-N 0 3 414.456 3.211 50 0 HGAAHN COc1ccc(CCN(C)C(=O)CCN2Cc3ccccc3O[C@H](C)C2)cc1OC ZINC000014974853 558688745 /nfs/dbraw/zinc/68/87/45/558688745.db2.gz ICWGGEUJSCDXDT-GOSISDBHSA-N 0 3 412.530 3.378 50 0 HGAAHN O[C@@H](COc1ccccc1CNCc1ccc(F)cc1F)CN1CCSCC1 ZINC000015067204 558710156 /nfs/dbraw/zinc/71/01/56/558710156.db2.gz GCICBRYAZVZGSU-LJQANCHMSA-N 0 3 408.514 3.043 50 0 HGAAHN Cc1cc(C)n(-c2cccc(CN3CCC[C@H](CCC(=O)N4CCOCC4)C3)c2)n1 ZINC000015068846 558711395 /nfs/dbraw/zinc/71/13/95/558711395.db2.gz FBPKYUSUQRINTN-OAQYLSRUSA-N 0 3 410.562 3.340 50 0 HGAAHN Cn1c2ccc([C@@H](O)COc3ccc(CNCc4cccs4)cc3)cc2n(C)c1=O ZINC000016363950 558788434 /nfs/dbraw/zinc/78/84/34/558788434.db2.gz ZDBUJOAFFWJUFJ-QFIPXVFZSA-N 0 3 423.538 3.341 50 0 HGAAHN Cc1c(NC(=O)C2CCN(Cc3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000016606591 558796581 /nfs/dbraw/zinc/79/65/81/558796581.db2.gz VOOWMLWMWZTWPP-UHFFFAOYSA-N 0 3 404.514 3.335 50 0 HGAAHN CCOc1ccccc1N1C(=O)C[C@H](NCCc2c[nH]c3ccc(OC)cc23)C1=O ZINC000018088213 558831006 /nfs/dbraw/zinc/83/10/06/558831006.db2.gz BRBRWHQVMVBDIO-IBGZPJMESA-N 0 3 407.470 3.039 50 0 HGAAHN Cc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccccc3OCCO)C2)CC1 ZINC000019225637 558852538 /nfs/dbraw/zinc/85/25/38/558852538.db2.gz OACFHPBAJZERBO-HSZRJFAPSA-N 0 3 409.574 3.153 50 0 HGAAHN CCn1nc(C)c(CN(CCOC)C[C@@]2(c3cccc(OC)c3)CCOC2)c1C ZINC000055042368 558870654 /nfs/dbraw/zinc/87/06/54/558870654.db2.gz DPDAEHXUHXSERT-QHCPKHFHSA-N 0 3 401.551 3.335 50 0 HGAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)n1 ZINC000072139306 558928941 /nfs/dbraw/zinc/92/89/41/558928941.db2.gz GBDVJORIBOVLEX-UHFFFAOYSA-N 0 3 402.449 3.018 50 0 HGAAHN CN(CCCNC(=O)c1nnc(C(=O)Nc2ccccc2)s1)Cc1ccccc1 ZINC000033061184 558954415 /nfs/dbraw/zinc/95/44/15/558954415.db2.gz QFCVPCOPXRUJDD-UHFFFAOYSA-N 0 3 409.515 3.042 50 0 HGAAHN O=C(NCCN1CCCC1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915177 558971697 /nfs/dbraw/zinc/97/16/97/558971697.db2.gz LPLCZMCTXCQBOP-UHFFFAOYSA-N 0 3 406.530 3.349 50 0 HGAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 ZINC000065361961 558972471 /nfs/dbraw/zinc/97/24/71/558972471.db2.gz IEHBPKPROAKWET-UHFFFAOYSA-N 0 3 403.889 3.140 50 0 HGAAHN Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1 ZINC000067613054 558989189 /nfs/dbraw/zinc/98/91/89/558989189.db2.gz QSGIIVOBBOTWFA-UHFFFAOYSA-N 0 3 422.558 3.245 50 0 HGAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1 ZINC000067613975 558989403 /nfs/dbraw/zinc/98/94/03/558989403.db2.gz ZWFFUOMDJQUDQS-UHFFFAOYSA-N 0 3 401.461 3.016 50 0 HGAAHN O=C(NCC1CCN(Cc2ccco2)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000023127485 559015895 /nfs/dbraw/zinc/01/58/95/559015895.db2.gz RGCZQMCOCLLFLK-UHFFFAOYSA-N 0 3 409.408 3.265 50 0 HGAAHN Cc1ocnc1C(=O)N(CCN(C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000095505645 559083100 /nfs/dbraw/zinc/08/31/00/559083100.db2.gz GWHPAXRHRUVVJE-SFHVURJKSA-N 0 3 402.514 3.038 50 0 HGAAHN CCN1CCC[C@@H]1CNC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)sc1C ZINC000011691875 559185455 /nfs/dbraw/zinc/18/54/55/559185455.db2.gz YYMRPVBDWHLUOB-OAHLLOKOSA-N 0 3 419.547 3.358 50 0 HGAAHN CN(C)CCNC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 ZINC000011694450 559188199 /nfs/dbraw/zinc/18/81/99/559188199.db2.gz SQJZHTRZJZJVTR-UHFFFAOYSA-N 0 3 400.429 3.021 50 0 HGAAHN O=S(=O)(NCC1CCN([C@H]2CCSC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000225573920 559189296 /nfs/dbraw/zinc/18/92/96/559189296.db2.gz KPDAXHPJXSDGOO-HNNXBMFYSA-N 0 3 408.511 3.201 50 0 HGAAHN Cc1ccc2oc(=O)c3cnn(CC(=O)NCCCN(C)Cc4ccccc4)c3c2c1 ZINC000004961746 559217813 /nfs/dbraw/zinc/21/78/13/559217813.db2.gz BPGACTXSUDYQGV-UHFFFAOYSA-N 0 3 418.497 3.089 50 0 HGAAHN Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2c(C)cccc2C)CN(C)CC3)cc1 ZINC000062007123 560566321 /nfs/dbraw/zinc/56/63/21/560566321.db2.gz XPFMOXRGLGPCHX-UHFFFAOYSA-N 0 3 416.525 3.462 50 0 HGAAHN COc1ccc(-c2noc3c(O)n(-c4ccc5ccccc5c4)c(O)c23)c(OC)c1 ZINC000101359085 560792391 /nfs/dbraw/zinc/79/23/91/560792391.db2.gz OCDKRZKEVHNGKR-PZJWPPBQSA-N 0 3 402.406 3.150 50 0 HGAAHN CC[C@@H]1CCCCN1C(=O)C(C)S(=O)(=O)Cc1cc2c(c(Cl)c1)OCO2 ZINC000048253312 568434438 /nfs/dbraw/zinc/43/44/38/568434438.db2.gz OTTSWEABXVPZGT-GXTWGEPZSA-N 0 3 401.912 3.163 50 0 HGAAHN Cc1nc2ccccc2nc1CS(=O)(=O)C(C)C(=O)N(C)Cc1cccc(F)c1 ZINC000048278334 568435756 /nfs/dbraw/zinc/43/57/56/568435756.db2.gz OSZYTAOFFKSCJZ-OAHLLOKOSA-N 0 3 415.490 3.039 50 0 HGAAHN CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)CC2CCCCC2)cc1 ZINC000048342562 568440543 /nfs/dbraw/zinc/44/05/43/568440543.db2.gz UVDNOQQVCBYOIV-UHFFFAOYSA-N 0 3 423.623 3.301 50 0 HGAAHN Cc1cc(=O)c(C(=O)NCc2ccccc2CN2CCCCC2)nn1-c1ccccc1 ZINC000007941485 568486730 /nfs/dbraw/zinc/48/67/30/568486730.db2.gz DEBQRTMICGWOPR-UHFFFAOYSA-N 0 3 416.525 3.457 50 0 HGAAHN CN(C)[C@H](CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000008230503 568494615 /nfs/dbraw/zinc/49/46/15/568494615.db2.gz FEAMZJKALXCEPB-YAOQVBECSA-N 0 3 405.542 3.358 50 0 HGAAHN O=C(NCCc1ccc(OCCN2CCCC2)cc1)c1ccn(-c2cccc(F)c2)n1 ZINC000095460110 568619990 /nfs/dbraw/zinc/61/99/90/568619990.db2.gz VIOQZSPTSMUXTD-UHFFFAOYSA-N 0 3 422.504 3.459 50 0 HGAAHN Cc1cc(C)n(Cc2c(C)onc2C(=O)NC[C@H]2CCN(Cc3ccc(C)cc3)C2)n1 ZINC000020994059 568656315 /nfs/dbraw/zinc/65/63/15/568656315.db2.gz CLGDMKSBVPGQIG-OAQYLSRUSA-N 0 3 421.545 3.405 50 0 HGAAHN CCCCN1CCC(NS(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)CC1 ZINC000225659544 568661162 /nfs/dbraw/zinc/66/11/62/568661162.db2.gz ANYXUVWZVQUMSF-UHFFFAOYSA-N 0 3 414.531 3.433 50 0 HGAAHN COc1ccc(CN2CCC(CNC(=O)c3ccc4c(c3)N(C)CCO4)CC2)cc1 ZINC000225705394 568666362 /nfs/dbraw/zinc/66/63/62/568666362.db2.gz VRPMAGGRLFYFEC-UHFFFAOYSA-N 0 3 409.530 3.166 50 0 HGAAHN O=C(CN1CCC[C@@H]2CCCC[C@H]21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000229990630 568716619 /nfs/dbraw/zinc/71/66/19/568716619.db2.gz ZQZFAMGYCSJFQO-FXAWDEMLSA-N 0 3 405.564 3.064 50 0 HGAAHN CC(C)[C@@H](NCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 ZINC000021584312 568720081 /nfs/dbraw/zinc/72/00/81/568720081.db2.gz VYPVGPUBAVECHM-RBBKRZOGSA-N 0 3 406.592 3.324 50 0 HGAAHN C/C=C/c1ccc(OC[C@H](O)CNC[C@H](c2ccc(OC)cc2)N(C)C)c(OC)c1 ZINC000096311028 568724731 /nfs/dbraw/zinc/72/47/31/568724731.db2.gz YSQGJSKNXKXPMX-GHEJJDCBSA-N 0 3 414.546 3.369 50 0 HGAAHN CCOC(=O)C1=C(CN[C@H](C)CCc2ccccc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000085993825 568745111 /nfs/dbraw/zinc/74/51/11/568745111.db2.gz SLDFDPJKNPNUES-VGOFRKELSA-N 0 3 407.514 3.469 50 0 HGAAHN CCOC(=O)C1C(CN[C@H](C)CCc2ccccc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000085993825 568745113 /nfs/dbraw/zinc/74/51/13/568745113.db2.gz SLDFDPJKNPNUES-VGOFRKELSA-N 0 3 407.514 3.469 50 0 HGAAHN COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)OCCN(C)C)c2n1 ZINC000021788871 568752846 /nfs/dbraw/zinc/75/28/46/568752846.db2.gz AJYKKOATNQNCJV-UHFFFAOYSA-N 0 3 408.380 3.142 50 0 HGAAHN CCN(CC)[C@H](CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccsc1 ZINC000029414871 568825267 /nfs/dbraw/zinc/82/52/67/568825267.db2.gz KHAHNCXLUMJNHS-LJQANCHMSA-N 0 3 421.588 3.002 50 0 HGAAHN CCN1CCN(c2ccc(NC(=O)c3cccc(CN4CCCC4=O)c3)cc2)CC1 ZINC000012534255 568844920 /nfs/dbraw/zinc/84/49/20/568844920.db2.gz RRHGCVRHWUDINO-UHFFFAOYSA-N 0 3 406.530 3.203 50 0 HGAAHN Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000012553737 568854773 /nfs/dbraw/zinc/85/47/73/568854773.db2.gz XQNKNNMZVOOHRJ-HXUWFJFHSA-N 0 3 421.570 3.496 50 0 HGAAHN O=C1NC[C@H](NC2CCN(Cc3ccccc3)CC2)n2nc(-c3ccc(F)cc3)cc21 ZINC000263616699 568911069 /nfs/dbraw/zinc/91/10/69/568911069.db2.gz KCGRJXXSYBAJSK-HSZRJFAPSA-N 0 3 419.504 3.185 50 0 HGAAHN COc1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCCC2)cc1 ZINC000012754315 568942363 /nfs/dbraw/zinc/94/23/63/568942363.db2.gz UBOBNMYEBPJCJE-NZQKXSOJSA-N 0 3 421.541 3.310 50 0 HGAAHN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](C(C)C)N[C@@]23c2cc(C)ccc2NC3=O)c1 ZINC000229659110 568952869 /nfs/dbraw/zinc/95/28/69/568952869.db2.gz GDXJQZFJTRLPIA-KDLAUNOPSA-N 0 3 423.513 3.432 50 0 HGAAHN O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[C@H](c1cccs1)N1CCCC1 ZINC000007986420 568964651 /nfs/dbraw/zinc/96/46/51/568964651.db2.gz QRFFATURWFKMEQ-GOSISDBHSA-N 0 3 410.543 3.261 50 0 HGAAHN CC1CCN([C@H](CNC(=O)Cn2cnc3ccccc3c2=O)c2cccs2)CC1 ZINC000008272682 568986666 /nfs/dbraw/zinc/98/66/66/568986666.db2.gz SQUQAVVIJSDMML-LJQANCHMSA-N 0 3 410.543 3.047 50 0 HGAAHN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)ccc1O ZINC000008373799 568995729 /nfs/dbraw/zinc/99/57/29/568995729.db2.gz JYEDRFSXAQGXPL-HXUWFJFHSA-N 0 3 408.454 3.004 50 0 HGAAHN COc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)n(C)n2)cc1 ZINC000035276893 569016772 /nfs/dbraw/zinc/01/67/72/569016772.db2.gz DNBUEXMFYCZAMW-UHFFFAOYSA-N 0 3 404.514 3.490 50 0 HGAAHN O=C(Cc1csc(NC(=O)c2ccccc2)n1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012909075 569021707 /nfs/dbraw/zinc/02/17/07/569021707.db2.gz CGVWRZIYFQLRCT-IBGZPJMESA-N 0 3 420.538 3.329 50 0 HGAAHN Cc1cccc(-c2cc(N3CCC(C(=O)NCCN4CCCCC4)CC3)ncn2)c1 ZINC000035401119 569035461 /nfs/dbraw/zinc/03/54/61/569035461.db2.gz QOXZBLQCYVWZKE-UHFFFAOYSA-N 0 3 407.562 3.271 50 0 HGAAHN Cc1ccc2[nH]c3c(ncn(CCC(=O)N4CCN(C5CCCCC5)CC4)c3=O)c2c1 ZINC000035423987 569036408 /nfs/dbraw/zinc/03/64/08/569036408.db2.gz KMOZHDISLKKODK-UHFFFAOYSA-N 0 3 421.545 3.053 50 0 HGAAHN CN(C)[C@H](CNC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccc2c(c1)CCO2 ZINC000090607249 569041961 /nfs/dbraw/zinc/04/19/61/569041961.db2.gz FGQWPKMRLPRDHO-OAQYLSRUSA-N 0 3 408.477 3.194 50 0 HGAAHN CN(C)[C@@H](CNC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccc2c(c1)CCO2 ZINC000090607248 569041968 /nfs/dbraw/zinc/04/19/68/569041968.db2.gz FGQWPKMRLPRDHO-NRFANRHFSA-N 0 3 408.477 3.194 50 0 HGAAHN Cc1ccc(-c2cc(C(=O)N(CCC(=O)NCCN(C)C)CC(C)C)no2)cc1C ZINC000036001661 569075224 /nfs/dbraw/zinc/07/52/24/569075224.db2.gz KQSFDXOZSQYMAH-UHFFFAOYSA-N 0 3 414.550 3.125 50 0 HGAAHN Cc1nn([C@H](C)C(=O)NCCN2CCCC[C@@H]2C)c(=O)c2c3ccccc3sc21 ZINC000006799191 569126252 /nfs/dbraw/zinc/12/62/52/569126252.db2.gz PAAARZPLPHHPHR-GOEBONIOSA-N 0 3 412.559 3.471 50 0 HGAAHN COC(=O)c1ccc(-c2ccco2)n1CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000006871050 569162000 /nfs/dbraw/zinc/16/20/00/569162000.db2.gz NDLKXVZVGAZDBT-UHFFFAOYSA-N 0 3 421.497 3.316 50 0 HGAAHN O=C(NCCN1CCCC1)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000065102676 569178629 /nfs/dbraw/zinc/17/86/29/569178629.db2.gz PMDNTLYBBIPZHI-UHFFFAOYSA-N 0 3 411.575 3.056 50 0 HGAAHN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(N2CCN[C@H](c3ccccc3)C2)n1 ZINC000065256221 569208255 /nfs/dbraw/zinc/20/82/55/569208255.db2.gz SAWLSLMWLQCYRC-FQEVSTJZSA-N 0 3 416.481 3.256 50 0 HGAAHN COc1ccccc1CNC(=O)c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1 ZINC000065256220 569208279 /nfs/dbraw/zinc/20/82/79/569208279.db2.gz AZMCXODAGDHFOG-OAQYLSRUSA-N 0 3 402.498 3.171 50 0 HGAAHN O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000065529601 569233891 /nfs/dbraw/zinc/23/38/91/569233891.db2.gz GVHGNIFAAQTNGQ-OALUTQOASA-N 0 3 414.500 3.365 50 0 HGAAHN CC(C)(Oc1ccc(F)cc1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000170613591 569246898 /nfs/dbraw/zinc/24/68/98/569246898.db2.gz FGRKZRPEVAULRU-NRFANRHFSA-N 0 3 400.494 3.390 50 0 HGAAHN CCN1CCC(NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000071186526 569251182 /nfs/dbraw/zinc/25/11/82/569251182.db2.gz WNNKPUSZNGWBKQ-HNNXBMFYSA-N 0 3 409.372 3.059 50 0 HGAAHN CC(=O)c1ccc(NC(=O)CSC2=N[C@H](c3c[nH]c4ccccc43)NC(=N)N2)cc1 ZINC000013579123 569256315 /nfs/dbraw/zinc/25/63/15/569256315.db2.gz XAXDLJIFJBRYKP-LJQANCHMSA-N 0 3 420.498 3.015 50 0 HGAAHN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)C1CCCCC1 ZINC000089644372 569261550 /nfs/dbraw/zinc/26/15/50/569261550.db2.gz NOAGDOSHXCECPG-UHFFFAOYSA-N 0 3 407.580 3.373 50 0 HGAAHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2cc(Br)ccc2Cl)CC1 ZINC000089768233 569263659 /nfs/dbraw/zinc/26/36/59/569263659.db2.gz HGLHRJRYZNSWIB-INIZCTEOSA-N 0 3 400.748 3.017 50 0 HGAAHN FC(F)(F)c1cccc(N2CCN(C3CCN(C[C@H]4CCCCO4)CC3)CC2)n1 ZINC000252490646 569289622 /nfs/dbraw/zinc/28/96/22/569289622.db2.gz KYKQZGWIVCJMIX-GOSISDBHSA-N 0 3 412.500 3.256 50 0 HGAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)NC4CCCCC4)CC3)C2)CC1 ZINC000581819745 569320741 /nfs/dbraw/zinc/32/07/41/569320741.db2.gz HNFYDLPIMNZPEP-QFIPXVFZSA-N 0 3 420.642 3.316 50 0 HGAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)C4CCCCC4)CC3)C2)CC1 ZINC000581820220 569321169 /nfs/dbraw/zinc/32/11/69/569321169.db2.gz YRYGBGZIWBKZAT-JOCHJYFZSA-N 0 3 405.627 3.381 50 0 HGAAHN CCc1ccc(C(=O)N2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000253419105 569367730 /nfs/dbraw/zinc/36/77/30/569367730.db2.gz WBNJVPFLSZLGEW-UHFFFAOYSA-N 0 3 420.601 3.219 50 0 HGAAHN CC(=O)Nc1cc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C ZINC000079022390 569424497 /nfs/dbraw/zinc/42/44/97/569424497.db2.gz NHCJYOOQAJHWBR-HDICACEKSA-N 0 3 401.551 3.305 50 0 HGAAHN COc1ccc(CNC(=O)c2ccc(N3CCN[C@H](c4ccccc4)C3)nc2)cc1 ZINC000039229650 571121905 /nfs/dbraw/zinc/12/19/05/571121905.db2.gz NYJFZSWXSLEJAR-QFIPXVFZSA-N 0 3 402.498 3.171 50 0 HGAAHN CC(C(=O)NCc1ccccc1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000040106130 571166741 /nfs/dbraw/zinc/16/67/41/571166741.db2.gz XAXALAIQOPGIAH-AWEZNQCLSA-N 0 3 423.918 3.121 50 0 HGAAHN O=S(=O)([N-]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)s1 ZINC000070922281 571281980 /nfs/dbraw/zinc/28/19/80/571281980.db2.gz JJHPHRGZESOPMR-UHFFFAOYSA-N 0 3 416.366 3.101 50 0 HGAAHN CN(C(=O)c1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000012315197 132358391 /nfs/dbraw/zinc/35/83/91/132358391.db2.gz MBWFXURBBNPPHU-HSZRJFAPSA-N 0 3 424.564 3.314 50 0 HGAAHN CN(C)CCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(N3CCCCC3)cc1)C2=O ZINC000030835931 521790537 /nfs/dbraw/zinc/79/05/37/521790537.db2.gz XCNWWDDLTBKEQN-UHFFFAOYSA-N 0 3 421.497 3.196 50 0 HGAAHN CN(C)[C@@H]1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)C1 ZINC000040355836 522053431 /nfs/dbraw/zinc/05/34/31/522053431.db2.gz HIDHRXDBGJTXJP-LLVKDONJSA-N 0 3 413.330 3.478 50 0 HGAAHN CN(C)[C@H]1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)C1 ZINC000040355837 522102889 /nfs/dbraw/zinc/10/28/89/522102889.db2.gz HIDHRXDBGJTXJP-NSHDSACASA-N 0 3 413.330 3.478 50 0 HGAAHN Cc1c(NC(=O)CCN2CCC[C@@H](C(F)(F)F)C2)c(=O)n(-c2ccccc2)n1C ZINC000032870764 525834213 /nfs/dbraw/zinc/83/42/13/525834213.db2.gz ZHSFTMGSWJQYTF-OAHLLOKOSA-N 0 3 410.440 3.087 50 0 HGAAHN O=C(Cn1ncc2c1-c1ccccc1OC2)NC1CCN(Cc2ccccc2)CC1 ZINC000006805314 557722482 /nfs/dbraw/zinc/72/24/82/557722482.db2.gz UVSCKNBJNZMXPI-UHFFFAOYSA-N 0 3 402.498 3.223 50 0 HGAAHN COc1ccc(CN(C)Cc2ccncc2C)cc1OC[C@H](O)CN1CCCCC1 ZINC000011665249 558268731 /nfs/dbraw/zinc/26/87/31/558268731.db2.gz OALNVGJPNXJWGU-JOCHJYFZSA-N 0 3 413.562 3.256 50 0 HGAAHN O=C(Cc1cc(F)ccc1F)NC[C@H]1CCC2(CCN(Cc3ccccn3)CC2)O1 ZINC000011785615 558275944 /nfs/dbraw/zinc/27/59/44/558275944.db2.gz GENQHMRHUAAHMP-HXUWFJFHSA-N 0 3 415.484 3.232 50 0 HGAAHN CCn1nc(C)c([C@@H]2C[C@H]3CN(C4Cc5ccccc5C4)C(=O)[C@]34CCCN24)c1C ZINC000011843530 558288479 /nfs/dbraw/zinc/28/84/79/558288479.db2.gz XCCXKASHXYMQQB-XTJBDQBJSA-N 0 3 404.558 3.425 50 0 HGAAHN CCN1CCN(C[C@H](O)COc2cccc(CNCc3cccc(Cl)c3)c2)CC1 ZINC000019841618 558294402 /nfs/dbraw/zinc/29/44/02/558294402.db2.gz CNPRHXIYNGDXEA-QFIPXVFZSA-N 0 3 417.981 3.007 50 0 HGAAHN CCOC(=O)CC1(NCc2c(C(=O)N3CCCC3)nc3sccn23)CCCCC1 ZINC000011935381 558299519 /nfs/dbraw/zinc/29/95/19/558299519.db2.gz PHHZQMCDZTYTJM-UHFFFAOYSA-N 0 3 418.563 3.378 50 0 HGAAHN OCC[C@@H]1CN(Cc2cccn2-c2ccccn2)CCN1CCCc1ccccc1 ZINC000020999522 558428291 /nfs/dbraw/zinc/42/82/91/558428291.db2.gz FLEIRCGQUJPVGX-HSZRJFAPSA-N 0 3 404.558 3.374 50 0 HGAAHN CN(C)Cc1ccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 ZINC000012769212 558462086 /nfs/dbraw/zinc/46/20/86/558462086.db2.gz PAASZEGOHYFFAL-UHFFFAOYSA-N 0 3 424.570 3.174 50 0 HGAAHN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CNCCc1cnn(-c2ccccc2)c1 ZINC000023128941 558536669 /nfs/dbraw/zinc/53/66/69/558536669.db2.gz ZKTIHASFQFTPRG-UHFFFAOYSA-N 0 3 422.920 3.208 50 0 HGAAHN O=C(CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc(F)c1 ZINC000023382153 558555431 /nfs/dbraw/zinc/55/54/31/558555431.db2.gz YUBFEJKUTKNPGE-QFBILLFUSA-N 0 3 408.433 3.271 50 0 HGAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000023382178 558555799 /nfs/dbraw/zinc/55/57/99/558555799.db2.gz MJDGPMHOMUSZCU-AUUYWEPGSA-N 0 3 408.433 3.271 50 0 HGAAHN CCOc1ccc(NC(=O)CC2C(=O)N(CCCOC)c3nc4ccccc4n32)cc1 ZINC000023411168 558557439 /nfs/dbraw/zinc/55/74/39/558557439.db2.gz DCTRDOPTRJWFBE-FQEVSTJZSA-N 0 3 422.485 3.388 50 0 HGAAHN CCN1C[C@H](CN(C)CCCCN2C(=O)c3ccccc3C2=O)Oc2ccccc21 ZINC000024242057 558593110 /nfs/dbraw/zinc/59/31/10/558593110.db2.gz UWYIVKCWRLPDGQ-SFHVURJKSA-N 0 3 407.514 3.282 50 0 HGAAHN CCCN1CCN(CCCNC(=O)c2noc3c2CSc2ccccc2-3)CC1 ZINC000022936349 558674279 /nfs/dbraw/zinc/67/42/79/558674279.db2.gz QRPDWKYRXGRWIY-UHFFFAOYSA-N 0 3 400.548 3.095 50 0 HGAAHN COc1cc(C(=O)N2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)ccc1C ZINC000015079197 558718162 /nfs/dbraw/zinc/71/81/62/558718162.db2.gz IVDXKHICLVPKJY-IBGZPJMESA-N 0 3 415.578 3.189 50 0 HGAAHN C[C@H]1CCCCN1CCNC(=O)CCCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000032995315 558809696 /nfs/dbraw/zinc/80/96/96/558809696.db2.gz URDTWCJCPQVZPL-INIZCTEOSA-N 0 3 415.563 3.104 50 0 HGAAHN Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)[C@@]21N=C(Nc2ccccc2)NC(=N)N1 ZINC000019326868 558868047 /nfs/dbraw/zinc/86/80/47/558868047.db2.gz GJBCCQHRICACIC-PSLXWICFSA-N 0 3 402.502 3.166 50 0 HGAAHN CCCN1CCN(c2ncnc3sc(C(=O)N4CCC(C)CC4)c(C)c32)CC1 ZINC000033048377 558885650 /nfs/dbraw/zinc/88/56/50/558885650.db2.gz ZOOKFEYZLUFXQC-UHFFFAOYSA-N 0 3 401.580 3.404 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(-n2nnc3cccnc32)c1 ZINC000035422214 558895060 /nfs/dbraw/zinc/89/50/60/558895060.db2.gz XQELWMPVCVBPAE-UHFFFAOYSA-N 0 3 412.497 3.210 50 0 HGAAHN C[C@@H](CNC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)N(C)c1ccccc1 ZINC000058342769 558920510 /nfs/dbraw/zinc/92/05/10/558920510.db2.gz XNERCRGNSQIRJA-SFHVURJKSA-N 0 3 423.561 3.030 50 0 HGAAHN Cc1cc(C)cc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)c1 ZINC000005254518 560552136 /nfs/dbraw/zinc/55/21/36/560552136.db2.gz OUEFRHQJDZZPAY-UHFFFAOYSA-N 0 3 414.575 3.031 50 0 HGAAHN CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(C)cc34)C2=O)cc1 ZINC000005274577 560561415 /nfs/dbraw/zinc/56/14/15/560561415.db2.gz NKDLBWHEJZNRDE-OAQYLSRUSA-N 0 3 419.481 3.117 50 0 HGAAHN O=c1occ(C[NH+]2CCCCCC2)c([O-])c1CN1CCN(Cc2ccccc2)CC1 ZINC000101375045 560793552 /nfs/dbraw/zinc/79/35/52/560793552.db2.gz BYTSCENOBFZUJW-UHFFFAOYSA-N 0 3 411.546 3.039 50 0 HGAAHN CC(C(=O)NCc1ccc(F)cc1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000044639423 560897121 /nfs/dbraw/zinc/89/71/21/560897121.db2.gz OEJUCHZEIICCIA-GFCCVEGCSA-N 0 3 403.397 3.464 50 0 HGAAHN O=C(c1ccccc1)N1C[C@@H](CNCc2cc(F)cc3cccnc32)N2CC[C@H]1C2 ZINC000108367024 568418656 /nfs/dbraw/zinc/41/86/56/568418656.db2.gz UHSOGWXCDGWBTE-FCHUYYIVSA-N 0 3 404.489 3.062 50 0 HGAAHN CCn1nnc2cc(C(=O)N[C@H]3CC4(CCN(C)CC4)Oc4ccccc43)ccc21 ZINC000048303911 568436280 /nfs/dbraw/zinc/43/62/80/568436280.db2.gz PRZRWTZZCDARMY-IBGZPJMESA-N 0 3 405.502 3.169 50 0 HGAAHN CC(C)CCNC(=O)C1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000048302793 568437786 /nfs/dbraw/zinc/43/77/86/568437786.db2.gz OKUBLIRUCSFRJG-OAQYLSRUSA-N 0 3 417.569 3.439 50 0 HGAAHN NC(=O)C1CCN(Cc2cccc(NC(=O)CCc3c[nH]c4ccccc34)c2)CC1 ZINC000048375389 568442443 /nfs/dbraw/zinc/44/24/43/568442443.db2.gz WQOSBJBQIUKLKC-UHFFFAOYSA-N 0 3 404.514 3.437 50 0 HGAAHN Cc1nc2c(c(=O)n1CC(=O)Nc1cc(F)cc(F)c1)CN(Cc1ccccc1)CC2 ZINC000049400855 568447613 /nfs/dbraw/zinc/44/76/13/568447613.db2.gz MDVBHSSQAIXKKH-UHFFFAOYSA-N 0 3 424.451 3.027 50 0 HGAAHN Cc1cc(C)cc(NC(=O)Cn2cnc3c(c2=O)CN(Cc2ccccc2)CC3)c1 ZINC000049400723 568447661 /nfs/dbraw/zinc/44/76/61/568447661.db2.gz NISDCWPBGSCVBZ-UHFFFAOYSA-N 0 3 402.498 3.057 50 0 HGAAHN O=C(NC1CC1)c1ccc(N2CC[C@H](NCc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000049420994 568450450 /nfs/dbraw/zinc/45/04/50/568450450.db2.gz RLKXCVGNQKBMRI-SFHVURJKSA-N 0 3 404.436 3.361 50 0 HGAAHN C[C@@H]1CCCCN1CCNC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000033031769 568510552 /nfs/dbraw/zinc/51/05/52/568510552.db2.gz ZELCMSHAPAJNQK-QGZVFWFLSA-N 0 3 412.509 3.164 50 0 HGAAHN COc1cccc(CN2CCC[C@]3(CCN(Cc4ccc(CO)o4)C3)C2)c1OC ZINC000014978017 568517241 /nfs/dbraw/zinc/51/72/41/568517241.db2.gz JBPASXRHEUNCEX-QHCPKHFHSA-N 0 3 400.519 3.277 50 0 HGAAHN CN(C)Cc1cccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)c1 ZINC000095349802 568600660 /nfs/dbraw/zinc/60/06/60/568600660.db2.gz CCTGLBWJHIEKOC-NRFANRHFSA-N 0 3 421.566 3.467 50 0 HGAAHN CCN1CCC[C@@H]1CNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 ZINC000020508766 568620247 /nfs/dbraw/zinc/62/02/47/568620247.db2.gz ZFSZSONWAIXUSI-GOSISDBHSA-N 0 3 405.498 3.213 50 0 HGAAHN CCN1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccc2c(c1)OCO2 ZINC000021148559 568672065 /nfs/dbraw/zinc/67/20/65/568672065.db2.gz BGFSBNFDSHCMKZ-UHFFFAOYSA-N 0 3 421.522 3.500 50 0 HGAAHN O=C(C1CCN(c2nnc(-c3ccccc3)o2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000096101922 568691353 /nfs/dbraw/zinc/69/13/53/568691353.db2.gz FWVAVEWLTOCYPG-UHFFFAOYSA-N 0 3 423.561 3.430 50 0 HGAAHN CC(C)n1nnc(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)n1 ZINC000096223940 568706297 /nfs/dbraw/zinc/70/62/97/568706297.db2.gz XBGCNFRZBDRVGM-UHFFFAOYSA-N 0 3 404.518 3.315 50 0 HGAAHN COc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c1 ZINC000021795145 568753694 /nfs/dbraw/zinc/75/36/94/568753694.db2.gz BMGDWQZDGJEQBW-UHFFFAOYSA-N 0 3 410.522 3.138 50 0 HGAAHN CCN1CCN(c2ccc(N[C@@H](C)C(=O)NC(=O)Nc3ccccc3)c(C)c2)CC1 ZINC000056170346 568790552 /nfs/dbraw/zinc/79/05/52/568790552.db2.gz FCRDOEGBUFIGIT-SFHVURJKSA-N 0 3 409.534 3.286 50 0 HGAAHN CN(C)C[C@](C)(O)c1ccc2c(c1)CN(Cc1cccn1-c1ccccn1)CCO2 ZINC000299757110 568872969 /nfs/dbraw/zinc/87/29/69/568872969.db2.gz HVGNCEDIHVQUKW-DEOSSOPVSA-N 0 3 406.530 3.036 50 0 HGAAHN CCOC(=O)N1CCN(c2nc3c(C)cccc3cc2CNC[C@@H]2CCCO2)CC1 ZINC000299779651 568874943 /nfs/dbraw/zinc/87/49/43/568874943.db2.gz UYUZGHVQAXJVQS-FQEVSTJZSA-N 0 3 412.534 3.090 50 0 HGAAHN O=C(CCCn1nnc(-c2ccccc2)n1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000058017672 568876545 /nfs/dbraw/zinc/87/65/45/568876545.db2.gz KZMNGVAMVCDTNW-OAQYLSRUSA-N 0 3 404.518 3.074 50 0 HGAAHN CCc1cc(=O)n2nc(N(CCN3CCCC3)Cc3ccc(Cl)cc3)sc2n1 ZINC000083820267 568917574 /nfs/dbraw/zinc/91/75/74/568917574.db2.gz GVKKXCJGRUYDND-UHFFFAOYSA-N 0 3 417.966 3.469 50 0 HGAAHN CCN(CC(=O)NC[C@@H](c1ccco1)N(CC)CC)Cc1ccc2c(c1)OCCO2 ZINC000053094171 568935091 /nfs/dbraw/zinc/93/50/91/568935091.db2.gz HPDHDWUQSUBRQT-IBGZPJMESA-N 0 3 415.534 3.072 50 0 HGAAHN CCN(CC)CCNC(=O)C[S@@](=O)Cc1nc(-c2ccccc2Cl)oc1C ZINC000004111308 568944106 /nfs/dbraw/zinc/94/41/06/568944106.db2.gz PCUINXOSECMXAB-HHHXNRCGSA-N 0 3 411.955 3.010 50 0 HGAAHN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)NCCCN3CCCCCC3)ccc2S1 ZINC000015730929 568981568 /nfs/dbraw/zinc/98/15/68/568981568.db2.gz WFLAQSSSPXWCQK-HNNXBMFYSA-N 0 3 411.593 3.054 50 0 HGAAHN CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC000015773327 568999038 /nfs/dbraw/zinc/99/90/38/568999038.db2.gz FRZPOGFYPZTOPK-XMMPIXPASA-N 0 3 405.542 3.035 50 0 HGAAHN Cc1c(C(=O)NCc2ccccc2CN(C)C)sc2nc3n(c(=O)c12)CCCCC3 ZINC000012919772 569022854 /nfs/dbraw/zinc/02/28/54/569022854.db2.gz XJSNGAKNLPSVQO-UHFFFAOYSA-N 0 3 424.570 3.484 50 0 HGAAHN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](C(C)C)N[C@]23c2cc(C)ccc2NC3=O)c1 ZINC000015972748 569025249 /nfs/dbraw/zinc/02/52/49/569025249.db2.gz GDXJQZFJTRLPIA-WVMBUTMQSA-N 0 3 423.513 3.432 50 0 HGAAHN CN(C)CCNC(=O)[C@@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C ZINC000006363855 569045995 /nfs/dbraw/zinc/04/59/95/569045995.db2.gz BDCTYTCNIRVWSR-RDJZCZTQSA-N 0 3 413.971 3.369 50 0 HGAAHN CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](c2ccccc2)N(CC)CC)c1 ZINC000012998035 569048339 /nfs/dbraw/zinc/04/83/39/569048339.db2.gz FORKMBSMTGWXBK-OAQYLSRUSA-N 0 3 417.575 3.106 50 0 HGAAHN CNS(=O)(=O)c1ccc(NC[C@H](c2ccc(OC)cc2)N2CCCCC2)c(F)c1 ZINC000089395790 569059255 /nfs/dbraw/zinc/05/92/55/569059255.db2.gz XEYSIVKEFRGESI-OAQYLSRUSA-N 0 3 421.538 3.382 50 0 HGAAHN COc1cccc(CN2CCC[C@@]3(CCN(Cc4[nH]cc(C)c(=O)c4C)C3)C2=O)c1 ZINC000426442860 569073066 /nfs/dbraw/zinc/07/30/66/569073066.db2.gz HUTRPCBUPCJUPR-DEOSSOPVSA-N 0 3 409.530 3.015 50 0 HGAAHN Cc1noc(C)c1CN1CCc2c(C(=O)N[C@H](C)CN3CCCC3)csc2C1 ZINC000426712830 569074030 /nfs/dbraw/zinc/07/40/30/569074030.db2.gz VWJIIMTVICKQJD-CQSZACIVSA-N 0 3 402.564 3.125 50 0 HGAAHN CN(C)CCNC(=O)c1ccc(CSc2nc(N(C)C)cc(C(C)(C)C)n2)o1 ZINC000006802206 569129774 /nfs/dbraw/zinc/12/97/74/569129774.db2.gz YNKCCWDLKHQAGX-UHFFFAOYSA-N 0 3 405.568 3.017 50 0 HGAAHN Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)sc2nc3n(c(=O)c12)CCC3 ZINC000006841362 569151881 /nfs/dbraw/zinc/15/18/81/569151881.db2.gz SUFOGSDPTWLSAX-UHFFFAOYSA-N 0 3 422.554 3.107 50 0 HGAAHN COc1ccc([C@H](CNC(=O)C[C@H](NC(C)=O)c2ccccc2)N2CCCC2)cc1 ZINC000006865330 569158817 /nfs/dbraw/zinc/15/88/17/569158817.db2.gz FPJJLJLUEXHXEQ-GOTSBHOMSA-N 0 3 409.530 3.216 50 0 HGAAHN COc1ccc([C@@H](CNC(=O)C[C@H](NC(C)=O)c2ccccc2)N2CCCC2)cc1 ZINC000006865334 569158886 /nfs/dbraw/zinc/15/88/86/569158886.db2.gz FPJJLJLUEXHXEQ-XZOQPEGZSA-N 0 3 409.530 3.216 50 0 HGAAHN CCCN(CCC)CCNC(=O)c1ccc(C[S@@](=O)c2ccc(OC)cc2)o1 ZINC000006895624 569175338 /nfs/dbraw/zinc/17/53/38/569175338.db2.gz DNYDSYPZDJRBRI-NDEPHWFRSA-N 0 3 406.548 3.448 50 0 HGAAHN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CNCCCOC ZINC000007141175 569225588 /nfs/dbraw/zinc/22/55/88/569225588.db2.gz SNIZBDBHBWEBHF-UHFFFAOYSA-N 0 3 406.504 3.165 50 0 HGAAHN CC(=O)c1ccc(NC(=O)CSC2=N[C@@H](c3c[nH]c4ccccc43)NC(=N)N2)cc1 ZINC000013579122 569256331 /nfs/dbraw/zinc/25/63/31/569256331.db2.gz XAXDLJIFJBRYKP-IBGZPJMESA-N 0 3 420.498 3.015 50 0 HGAAHN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@H](c1ccccc1)C1CCCCC1 ZINC000089644433 569261595 /nfs/dbraw/zinc/26/15/95/569261595.db2.gz FCMILTNGHOMPCQ-QFIPXVFZSA-N 0 3 415.559 3.492 50 0 HGAAHN Cc1cccc(-c2nc(NCCN(C)C)nc3nn(Cc4ccccc4)c(N)c32)c1 ZINC000037359874 569283478 /nfs/dbraw/zinc/28/34/78/569283478.db2.gz YQCSACGYFNOVJF-UHFFFAOYSA-N 0 3 401.518 3.406 50 0 HGAAHN CN(C)CCNC(=O)Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1 ZINC000037556776 569306531 /nfs/dbraw/zinc/30/65/31/569306531.db2.gz CKFTVGQCJRFBQF-UHFFFAOYSA-N 0 3 423.488 3.486 50 0 HGAAHN C[C@H]1CN(CCCCNC(=O)C2(c3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000079050763 569425561 /nfs/dbraw/zinc/42/55/61/569425561.db2.gz KKBNLXVHYOBVHM-HOTGVXAUSA-N 0 3 409.368 3.486 50 0 HGAAHN CN(CCOc1ccc(Br)cc1)CCc1nc2ccccc2c(=O)[nH]1 ZINC000040154888 571201968 /nfs/dbraw/zinc/20/19/68/571201968.db2.gz IFLNTWKUXUHHGR-UHFFFAOYSA-N 0 3 402.292 3.239 50 0 HGAAHN CC(C)(C)OC[C@@H](O)CN1CCC(NC(=O)NCc2cccc3ccccc32)CC1 ZINC000244909800 571210401 /nfs/dbraw/zinc/21/04/01/571210401.db2.gz AWIJTDRZKATTHC-NRFANRHFSA-N 0 3 413.562 3.279 50 0 HGAAHN CC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000069815841 571245646 /nfs/dbraw/zinc/24/56/46/571245646.db2.gz PBSPASNKZASZGX-OAQYLSRUSA-N 0 3 400.567 3.360 50 0 HGAAHN Cc1nc2ccccc2n(Cc2ccc(C(=O)NCCN3CCCCCC3)cc2)c1=O ZINC000033005899 571315707 /nfs/dbraw/zinc/31/57/07/571315707.db2.gz PYEAHFJIRHTUBM-UHFFFAOYSA-N 0 3 418.541 3.359 50 0 HGAAHN CCN1CCN(c2ccc(NC(=O)[C@H](C)NC(=O)OCc3ccccc3)cc2)CC1 ZINC000011952463 132352533 /nfs/dbraw/zinc/35/25/33/132352533.db2.gz JAWZWOPQBCMXRT-SFHVURJKSA-N 0 3 410.518 3.082 50 0 HGAAHN CC(C)Cc1ccc(CN2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)s1 ZINC000012076360 132353528 /nfs/dbraw/zinc/35/35/28/132353528.db2.gz LBYPOLHQIKVTSA-FGZHOGPDSA-N 0 3 414.619 3.099 50 0 HGAAHN CC(C)N1C[C@H](NCc2ccc(F)cc2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000032565426 519697912 /nfs/dbraw/zinc/69/79/12/519697912.db2.gz XDQGZZZBRAJUPA-IRLDBZIGSA-N 0 3 401.501 3.265 50 0 HGAAHN CCCCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000032923879 520940824 /nfs/dbraw/zinc/94/08/24/520940824.db2.gz GGSMGMCKJLCHMP-OAQYLSRUSA-N 0 3 415.559 3.233 50 0 HGAAHN CCN1CCN(c2ccc(NC(=O)NC[C@@H]3COc4ccccc4O3)cc2C)CC1 ZINC000031027439 521699039 /nfs/dbraw/zinc/69/90/39/521699039.db2.gz KXAHHTNENQWOGI-LJQANCHMSA-N 0 3 410.518 3.098 50 0 HGAAHN COC(=O)c1ccc(OC[C@@H](O)CN(C)Cc2ccccc2N2CCCCC2)cc1 ZINC000032843149 522146377 /nfs/dbraw/zinc/14/63/77/522146377.db2.gz GJAWODLPEKHSDA-NRFANRHFSA-N 0 3 412.530 3.335 50 0 HGAAHN COc1ccc([C@H](CNC(=O)CNC(=O)c2ccccc2Cl)N2CCCC2)cc1 ZINC000013009101 525356126 /nfs/dbraw/zinc/35/61/26/525356126.db2.gz YCDJBSSALFSVAT-FQEVSTJZSA-N 0 3 415.921 3.032 50 0 HGAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(CN2CCOCC2)c1 ZINC000032109686 525485633 /nfs/dbraw/zinc/48/56/33/525485633.db2.gz ZXRHRWZKTXHWBS-QHCPKHFHSA-N 0 3 407.514 3.252 50 0 biogenic HGAAHN Cc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1NS(C)(=O)=O ZINC000032908895 526187820 /nfs/dbraw/zinc/18/78/20/526187820.db2.gz NOTAVKXQPDWJCH-UHFFFAOYSA-N 0 3 415.559 3.282 50 0 HGAAHN CC1(C)Cc2c3c(nc(N4CCCC4)c2CO1)sc1c3ncnc1N1CCNCC1 ZINC000002413313 534944045 /nfs/dbraw/zinc/94/40/45/534944045.db2.gz NJQMPMXJDCTVOO-UHFFFAOYSA-N 0 3 424.574 3.101 50 0 HGAAHN Cc1cc([C@H]2C[C@H](C(=O)NCCN(C)C)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000034715481 557429005 /nfs/dbraw/zinc/42/90/05/557429005.db2.gz AJUCGIIGBBADAM-SFTDATJTSA-N 0 3 411.521 3.058 50 0 HGAAHN Cc1ccccc1-n1nc(C(=O)NC2CCN(C)CC2)nc1CCc1ccccc1 ZINC000034911936 557478412 /nfs/dbraw/zinc/47/84/12/557478412.db2.gz LLTXVKFSHBKPSC-UHFFFAOYSA-N 0 3 403.530 3.185 50 0 HGAAHN Cc1ccc(OC[C@@H](O)Cn2c3ccccc3n(CCN3CCCCC3)c2=N)cc1 ZINC000004082732 557511010 /nfs/dbraw/zinc/51/10/10/557511010.db2.gz QMQZDGQMFWZYJI-FQEVSTJZSA-N 0 3 408.546 3.156 50 0 HGAAHN COc1ccccc1CN1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000004599922 557571190 /nfs/dbraw/zinc/57/11/90/557571190.db2.gz VUBAPHQFDYEUCD-UHFFFAOYSA-N 0 3 407.558 3.252 50 0 HGAAHN CN(C)Cc1ccc([C@H]2CC[C@H](c3ccc(CN(C)C)[nH]3)N2C(=O)C(F)(F)F)[nH]1 ZINC000006378963 557700564 /nfs/dbraw/zinc/70/05/64/557700564.db2.gz VTXHMPQMXJZLNG-QZTJIDSGSA-N 0 3 411.472 3.433 50 0 HGAAHN O=C1CCCN1c1ccc(S(=O)(=O)NCC2(N3CCCCC3)CCCCC2)cc1 ZINC000008745724 557805013 /nfs/dbraw/zinc/80/50/13/557805013.db2.gz VRRGMVLEQVXQEW-UHFFFAOYSA-N 0 3 419.591 3.281 50 0 HGAAHN CN(Cc1ccccc1)C1(CNC(=O)CSc2ncccn2)Cc2ccccc2C1 ZINC000019743074 558263552 /nfs/dbraw/zinc/26/35/52/558263552.db2.gz NUNHZDOFXIUPDO-UHFFFAOYSA-N 0 3 418.566 3.355 50 0 HGAAHN Cc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccccc2C)CC3)c(C)c1 ZINC000011815088 558278997 /nfs/dbraw/zinc/27/89/97/558278997.db2.gz MURMDZKBIYTIAG-UHFFFAOYSA-N 0 3 417.557 3.234 50 0 HGAAHN O=C(NCCc1nnc2n1CCN(Cc1cc3ccccc3s1)CC2)c1ccoc1 ZINC000019771793 558280322 /nfs/dbraw/zinc/28/03/22/558280322.db2.gz IXXWUZQCFISKME-UHFFFAOYSA-N 0 3 421.526 3.117 50 0 HGAAHN COCCCN(C(=O)c1ccc(-c2cccs2)nc1N(C)C)C1CCN(C)CC1 ZINC000011872759 558290731 /nfs/dbraw/zinc/29/07/31/558290731.db2.gz KDBLGPJQUZFVLQ-UHFFFAOYSA-N 0 3 416.591 3.449 50 0 HGAAHN NS(=O)(=O)c1ccc(CCNCc2ccccc2OCc2ccc(F)cc2)cc1 ZINC000019860437 558297709 /nfs/dbraw/zinc/29/77/09/558297709.db2.gz FSGNEBCHSHLZSZ-UHFFFAOYSA-N 0 3 414.502 3.384 50 0 HGAAHN O=C(NC[C@@H]1CCC2(CCN(Cc3ccc(OCCO)cc3)CC2)O1)c1ccccc1 ZINC000011970499 558304674 /nfs/dbraw/zinc/30/46/74/558304674.db2.gz NBMZMQXMFFIKDZ-QHCPKHFHSA-N 0 3 424.541 3.001 50 0 HGAAHN COc1ccc(/C=C/CN2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)cc1 ZINC000012049449 558313503 /nfs/dbraw/zinc/31/35/03/558313503.db2.gz RLCBFPICNDFKLA-PHXNAMCJSA-N 0 3 410.518 3.217 50 0 HGAAHN CCn1cc(CNCc2ccc(OC[C@@H](O)CN(C)Cc3ccccc3)cc2)cn1 ZINC000012226463 558357099 /nfs/dbraw/zinc/35/70/99/558357099.db2.gz VMBBAXPOLHGQDV-QHCPKHFHSA-N 0 3 408.546 3.065 50 0 HGAAHN Cc1nccn1CCCNCc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21 ZINC000012316870 558380309 /nfs/dbraw/zinc/38/03/09/558380309.db2.gz KOMKZIGZOXCTCY-UHFFFAOYSA-N 0 3 408.550 3.344 50 0 HGAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H](C)Cn2cncn2)c(F)c1 ZINC000012431626 558406280 /nfs/dbraw/zinc/40/62/80/558406280.db2.gz XPPFNTRQPDYWGI-INIZCTEOSA-N 0 3 406.465 3.457 50 0 HGAAHN COc1ccccc1-n1cc(C(=O)N[C@H]2CCCN(C3Cc4ccccc4C3)C2)cn1 ZINC000012439135 558410579 /nfs/dbraw/zinc/41/05/79/558410579.db2.gz WVPMMJRBOAYFQN-NRFANRHFSA-N 0 3 416.525 3.243 50 0 HGAAHN Cc1nc(CCNCc2cn(C)nc2-c2ccc3c(c2)OCCO3)nc2c1CCCC2 ZINC000020781903 558412833 /nfs/dbraw/zinc/41/28/33/558412833.db2.gz CMZCWFXCBOIQSY-UHFFFAOYSA-N 0 3 419.529 3.168 50 0 HGAAHN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CNC1CCN(c2ccccc2)CC1 ZINC000020821114 558416827 /nfs/dbraw/zinc/41/68/27/558416827.db2.gz YDAMUOHQJMNNKT-UHFFFAOYSA-N 0 3 411.937 3.448 50 0 HGAAHN CCOC(=O)c1c(C)c(C)sc1NC(=O)CNC[C@@H](c1ccccc1)N(C)C ZINC000022029730 558459011 /nfs/dbraw/zinc/45/90/11/558459011.db2.gz RSTCGKXBBFMXMS-KRWDZBQOSA-N 0 3 403.548 3.373 50 0 HGAAHN CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000013009297 558502799 /nfs/dbraw/zinc/50/27/99/558502799.db2.gz WHNUOFULFYUECP-LBPRGKRZSA-N 0 3 401.276 3.192 50 0 HGAAHN COc1cccc(C(=O)[C@@H]2CCCN(Cc3cn(CC(N)=O)c4ccccc34)C2)c1 ZINC000013596359 558547147 /nfs/dbraw/zinc/54/71/47/558547147.db2.gz KZFSKBBILKNKIG-GOSISDBHSA-N 0 3 405.498 3.230 50 0 HGAAHN COc1ccc(-c2nn(-c3ccccc3F)cc2CNCCN2CCOCC2)cc1 ZINC000023360202 558551784 /nfs/dbraw/zinc/55/17/84/558551784.db2.gz MOPXEJUOYBUKGP-UHFFFAOYSA-N 0 3 410.493 3.109 50 0 HGAAHN COc1cccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)c1 ZINC000023382145 558555401 /nfs/dbraw/zinc/55/54/01/558555401.db2.gz OUCCBZZXZNBTKX-PXNSSMCTSA-N 0 3 420.469 3.140 50 0 HGAAHN Cc1cccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)c1 ZINC000023382129 558555482 /nfs/dbraw/zinc/55/54/82/558555482.db2.gz SNZBZXDODVTAOT-XLIONFOSSA-N 0 3 404.470 3.440 50 0 HGAAHN COC(=O)c1sc(NC(=O)CCN(C)Cc2cccs2)c(C(=O)OC)c1C ZINC000014197341 558634016 /nfs/dbraw/zinc/63/40/16/558634016.db2.gz HUKJGCUTRMRFBV-UHFFFAOYSA-N 0 3 410.517 3.152 50 0 HGAAHN Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H](NCc1ccc(F)cc1)C2 ZINC000014535038 558657804 /nfs/dbraw/zinc/65/78/04/558657804.db2.gz OGNPFZKYVIDXEQ-OAQYLSRUSA-N 0 3 418.516 3.405 50 0 HGAAHN Cc1ccc(F)cc1CN[C@@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1 ZINC000014536054 558658224 /nfs/dbraw/zinc/65/82/24/558658224.db2.gz AOWAEPKRSLLAFH-GOSISDBHSA-N 0 3 410.493 3.380 50 0 HGAAHN CCN1CCN(c2ccc(NC(=O)CNC(=O)c3ccc(C)c(C)c3)c(C)c2)CC1 ZINC000026908601 558666813 /nfs/dbraw/zinc/66/68/13/558666813.db2.gz HRPCFHDZMGGYDQ-UHFFFAOYSA-N 0 3 408.546 3.122 50 0 HGAAHN O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC1CCN(Cc2ccccc2)CC1 ZINC000027064398 558669295 /nfs/dbraw/zinc/66/92/95/558669295.db2.gz ZHHMPBLJYLSYER-UHFFFAOYSA-N 0 3 400.906 3.435 50 0 HGAAHN Cc1ccc(Cc2cnc(NC(=O)NC[C@@H](C)CN3CCN(C)CC3)s2)cc1 ZINC000072274559 558699757 /nfs/dbraw/zinc/69/97/57/558699757.db2.gz DQVNGNMPENKOCZ-QGZVFWFLSA-N 0 3 401.580 3.047 50 0 HGAAHN CC(C)(CNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)N1CCCCC1 ZINC000016224462 558779539 /nfs/dbraw/zinc/77/95/39/558779539.db2.gz MGRWYGSBISEEFP-UHFFFAOYSA-N 0 3 416.591 3.108 50 0 HGAAHN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000016606572 558796596 /nfs/dbraw/zinc/79/65/96/558796596.db2.gz JIKUIGLOLMTYJV-NRFANRHFSA-N 0 3 421.541 3.446 50 0 HGAAHN O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Br)cc1 ZINC000018223082 558834316 /nfs/dbraw/zinc/83/43/16/558834316.db2.gz DYUKMAHIKYBHGF-GOSISDBHSA-N 0 3 412.287 3.395 50 0 HGAAHN CCCc1nnc(C(=O)Nc2cccc(C(=O)NCCN3CCCC[C@H]3C)c2)s1 ZINC000033022779 558838191 /nfs/dbraw/zinc/83/81/91/558838191.db2.gz TVUOHGVCFQOKMF-OAHLLOKOSA-N 0 3 415.563 3.347 50 0 HGAAHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 ZINC000067975611 558862547 /nfs/dbraw/zinc/86/25/47/558862547.db2.gz IKWYCGCLKLZZPR-NRFANRHFSA-N 0 3 410.562 3.296 50 0 HGAAHN CCC(C)(C)C(=O)N1CCC2(CC1)Nc1ccccc1N(CCN1CCCC1)C2=O ZINC000055131504 558873542 /nfs/dbraw/zinc/87/35/42/558873542.db2.gz COWSHAGUPYLTSI-UHFFFAOYSA-N 0 3 412.578 3.338 50 0 HGAAHN O=C(CN(C[C@@H]1CCOC1)C1CC1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000058147597 558902308 /nfs/dbraw/zinc/90/23/08/558902308.db2.gz CXIZJYGEFJRNDW-LAUBAEHRSA-N 0 3 405.970 3.094 50 0 HGAAHN Cc1cc(OCC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)no1 ZINC000058172433 558908243 /nfs/dbraw/zinc/90/82/43/558908243.db2.gz KNBHNKXYWQTLNQ-UHFFFAOYSA-N 0 3 406.486 3.323 50 0 HGAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1 ZINC000072117295 558927215 /nfs/dbraw/zinc/92/72/15/558927215.db2.gz GGTXZDBBYDTYCO-UHFFFAOYSA-N 0 3 413.953 3.320 50 0 HGAAHN COCCn1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O ZINC000072401723 558936605 /nfs/dbraw/zinc/93/66/05/558936605.db2.gz UMGMEZFFVZFCFZ-UHFFFAOYSA-N 0 3 419.525 3.042 50 0 HGAAHN COc1cccc(-c2noc(CNC(=O)C3CCN(Cc4ccccc4)CC3)n2)c1 ZINC000067613826 558989304 /nfs/dbraw/zinc/98/93/04/558989304.db2.gz JZYSSOYTHDWPGW-UHFFFAOYSA-N 0 3 406.486 3.274 50 0 HGAAHN CNC(=O)[C@H]1CCCC[C@@H]1NCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000097165607 558998530 /nfs/dbraw/zinc/99/85/30/558998530.db2.gz PAXTVTCSQVBMRE-ROUUACIJSA-N 0 3 411.550 3.003 50 0 HGAAHN CNC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000097165609 558998577 /nfs/dbraw/zinc/99/85/77/558998577.db2.gz PAXTVTCSQVBMRE-MSOLQXFVSA-N 0 3 411.550 3.003 50 0 HGAAHN CCCCc1ncc(CN2CCN(Cc3ccccc3OCC)[C@H](CCO)C2)[nH]1 ZINC000077370130 559002431 /nfs/dbraw/zinc/00/24/31/559002431.db2.gz FVCXRNAFLUGWCE-OAQYLSRUSA-N 0 3 400.567 3.220 50 0 HGAAHN O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1ccc3ncccc3c1)CC2 ZINC000095503383 559082715 /nfs/dbraw/zinc/08/27/15/559082715.db2.gz FPQHWPTZACIPLD-UHFFFAOYSA-N 0 3 401.514 3.244 50 0 HGAAHN O=C(C1CC1)N1CCc2nc[nH]c2C12CCN(Cc1ccc3ncccc3c1)CC2 ZINC000095503383 559082717 /nfs/dbraw/zinc/08/27/17/559082717.db2.gz FPQHWPTZACIPLD-UHFFFAOYSA-N 0 3 401.514 3.244 50 0 HGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@H]3C2=O)cc1 ZINC000100722326 559138512 /nfs/dbraw/zinc/13/85/12/559138512.db2.gz ZWEYECKGSIUVIR-QHAWAJNXSA-N 0 3 401.422 3.141 50 0 HGAAHN Cc1noc(C)c1CN1CCc2c(C(=O)N3CCC[C@@H](N(C)C)C3)csc2C1 ZINC000426506569 559274587 /nfs/dbraw/zinc/27/45/87/559274587.db2.gz GTNWLTUFHHXCOO-MRXNPFEDSA-N 0 3 402.564 3.077 50 0 HGAAHN CCCN1CCC(NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)CC1 ZINC000051134705 560811701 /nfs/dbraw/zinc/81/17/01/560811701.db2.gz PBZGCJJVZYHUOZ-UHFFFAOYSA-N 0 3 400.491 3.369 50 0 HGAAHN O=C(c1ccccc1)N1C[C@H](CNCc2cc(F)cc3cccnc32)N2CC[C@H]1C2 ZINC000108367026 568418671 /nfs/dbraw/zinc/41/86/71/568418671.db2.gz UHSOGWXCDGWBTE-VXKWHMMOSA-N 0 3 404.489 3.062 50 0 HGAAHN CCCCN(CC)CCNC(=O)c1ccc(C[S@@](=O)c2ccc(OC)cc2)o1 ZINC000006895626 568463302 /nfs/dbraw/zinc/46/33/02/568463302.db2.gz UGJYXBNEQATXKI-NDEPHWFRSA-N 0 3 406.548 3.448 50 0 HGAAHN Cc1cc(=O)c(C(=O)NCCCN2CCCC[C@@H]2C)nn1-c1ccc(Cl)cc1 ZINC000007240726 568476836 /nfs/dbraw/zinc/47/68/36/568476836.db2.gz WRJHDYFWPYOREP-HNNXBMFYSA-N 0 3 402.926 3.189 50 0 HGAAHN CCOC(=O)C1C(CN2CC[C@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214277 568594673 /nfs/dbraw/zinc/59/46/73/568594673.db2.gz WCLXLKQTPFXVDL-PGRDOPGGSA-N 0 3 423.488 3.486 50 0 HGAAHN CN(CC(=O)Nc1ccccc1Cl)C(=O)CN[C@H]1CCCC[C@H]1C(F)(F)F ZINC000095941234 568662172 /nfs/dbraw/zinc/66/21/72/568662172.db2.gz SSZRIIYEEQRPCW-OCCSQVGLSA-N 0 3 405.848 3.448 50 0 HGAAHN C[C@@H](NCc1ccccc1-n1ccnc1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013571 568685436 /nfs/dbraw/zinc/68/54/36/568685436.db2.gz CZBNFNZDZMBRRF-XXBNENTESA-N 0 3 420.513 3.388 50 0 HGAAHN Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000096357119 568738516 /nfs/dbraw/zinc/73/85/16/568738516.db2.gz PMMYLTHCZYKFLS-UHFFFAOYSA-N 0 3 402.564 3.128 50 0 HGAAHN CCOC(=O)C1=C(CN[C@@H](C)CCc2ccccc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000085993823 568745064 /nfs/dbraw/zinc/74/50/64/568745064.db2.gz SLDFDPJKNPNUES-HTAPYJJXSA-N 0 3 407.514 3.469 50 0 HGAAHN CCOC(=O)C1C(CN[C@@H](C)CCc2ccccc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000085993823 568745065 /nfs/dbraw/zinc/74/50/65/568745065.db2.gz SLDFDPJKNPNUES-HTAPYJJXSA-N 0 3 407.514 3.469 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21 ZINC000021938250 568762891 /nfs/dbraw/zinc/76/28/91/568762891.db2.gz LJOSADWNJDCBPI-QHCPKHFHSA-N 0 3 418.541 3.392 50 0 HGAAHN CCN1CCC(NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000057200908 568824933 /nfs/dbraw/zinc/82/49/33/568824933.db2.gz IWVDXHPSKNZAGG-OAHLLOKOSA-N 0 3 409.372 3.059 50 0 HGAAHN COc1ccc(-c2cc(C(=O)NCCCN3CCc4ccccc4C3)[nH]n2)c(OC)c1 ZINC000057477413 568839549 /nfs/dbraw/zinc/83/95/49/568839549.db2.gz LKCHEDNJOQDNRE-UHFFFAOYSA-N 0 3 420.513 3.272 50 0 HGAAHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000230223581 568855993 /nfs/dbraw/zinc/85/59/93/568855993.db2.gz PIMGUNZFOKZYQU-OAGGEKHMSA-N 0 3 422.367 3.039 50 0 HGAAHN O=C(COc1ccc(-c2ncccn2)cc1CN1CCCCCC1)NC[C@@H]1CCCO1 ZINC000299768300 568873962 /nfs/dbraw/zinc/87/39/62/568873962.db2.gz JSCGMXKFXNTMSD-NRFANRHFSA-N 0 3 424.545 3.194 50 0 HGAAHN CCCCOc1ccccc1C(=O)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670436570 568874261 /nfs/dbraw/zinc/87/42/61/568874261.db2.gz DJIZPFOKTIFPGW-REXMIWGRSA-N 0 3 419.569 3.163 50 0 HGAAHN O=C(CC[NH+]1CCC(C(=O)Nc2ccccc2[O-])CC1)Nc1ccc(F)c(F)c1 ZINC000012762798 568946430 /nfs/dbraw/zinc/94/64/30/568946430.db2.gz OZWZHDFXQHQVNX-UHFFFAOYSA-N 0 3 403.429 3.350 50 0 HGAAHN CCN(CCNC(=O)C(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1)C1CC1 ZINC000084774749 568959301 /nfs/dbraw/zinc/95/93/01/568959301.db2.gz GSVUDIWXBCHNOF-UHFFFAOYSA-N 0 3 411.550 3.017 50 0 HGAAHN Cc1ccccc1CN1CCN(Cc2cn(C)nc2-c2ccccc2)C[C@H]1CCO ZINC000104365623 569008375 /nfs/dbraw/zinc/00/83/75/569008375.db2.gz TUGMIXCVICOGBQ-XMMPIXPASA-N 0 3 404.558 3.464 50 0 HGAAHN COc1ccc(CN2CCN(C3CSCCSC3)C[C@H]2CCO)c(C)c1C ZINC000104522192 569008806 /nfs/dbraw/zinc/00/88/06/569008806.db2.gz JNJLZAUXPSWJCE-LJQANCHMSA-N 0 3 410.649 3.029 50 0 HGAAHN CCc1ccc([C@@H](CNC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)N(C)C)cc1 ZINC000012909414 569021726 /nfs/dbraw/zinc/02/17/26/569021726.db2.gz VBSVXWMWHDGVOV-ISKFKSNPSA-N 0 3 409.574 3.351 50 0 HGAAHN C[C@@H]1CCCCN1CCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000035398326 569035123 /nfs/dbraw/zinc/03/51/23/569035123.db2.gz XOFBJYSSXRMEMY-LJQANCHMSA-N 0 3 407.562 3.351 50 0 HGAAHN O=C(NCCN1CCCCC1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000035398445 569035153 /nfs/dbraw/zinc/03/51/53/569035153.db2.gz OQKMXKXEGQNAOU-UHFFFAOYSA-N 0 3 411.525 3.101 50 0 HGAAHN CCOc1ccc(C(F)(F)F)cc1NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000089267825 569041063 /nfs/dbraw/zinc/04/10/63/569041063.db2.gz UWLOYHGHUVUCDJ-UHFFFAOYSA-N 0 3 402.461 3.252 50 0 HGAAHN Cc1ccc2oc(=O)c3cnn(CC(=O)N(CCN(C)C)Cc4ccccc4)c3c2c1 ZINC000006737838 569106395 /nfs/dbraw/zinc/10/63/95/569106395.db2.gz LDBDGZTUWIOQNG-UHFFFAOYSA-N 0 3 418.497 3.042 50 0 HGAAHN CCCN(CCC)C(=O)c1cc(NC(=O)c2cccc(C)c2)cnc1N1CCNCC1 ZINC000065025373 569156331 /nfs/dbraw/zinc/15/63/31/569156331.db2.gz CZIMHYIFBBFSBY-UHFFFAOYSA-N 0 3 423.561 3.314 50 0 HGAAHN CCCn1c2ccccc2c2cnn(CC(=O)NCCN3[C@H](C)CCC[C@@H]3C)c(=O)c21 ZINC000006900168 569176235 /nfs/dbraw/zinc/17/62/35/569176235.db2.gz YCQCXYRWHJBFNP-HDICACEKSA-N 0 3 423.561 3.140 50 0 HGAAHN CCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C)cc1)CN(Cc1ccccc1)CC2 ZINC000065153507 569187550 /nfs/dbraw/zinc/18/75/50/569187550.db2.gz OUIBPKKEFBZWML-UHFFFAOYSA-N 0 3 416.525 3.311 50 0 HGAAHN CCC(=O)N1CCc2sc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2C1 ZINC000065200995 569193768 /nfs/dbraw/zinc/19/37/68/569193768.db2.gz JVGZWFXPEYSIJQ-UHFFFAOYSA-N 0 3 411.571 3.437 50 0 HGAAHN COc1ccc(CNC(=O)c2ccnc(N3CCN[C@@H](c4ccccc4)C3)c2)cc1 ZINC000065255978 569208137 /nfs/dbraw/zinc/20/81/37/569208137.db2.gz USZIFDNNDNBLFY-JOCHJYFZSA-N 0 3 402.498 3.171 50 0 HGAAHN CC(C)(C)OC(=O)N1CCC(CCN2CCC[C@@H]2C(=O)NCc2ccco2)CC1 ZINC000170591333 569240748 /nfs/dbraw/zinc/24/07/48/569240748.db2.gz LQZHUWDNKMASHT-LJQANCHMSA-N 0 3 405.539 3.397 50 0 HGAAHN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@@H](c1ccccc1)C(C)C ZINC000010026411 569252926 /nfs/dbraw/zinc/25/29/26/569252926.db2.gz OMNRNQHZVNRRMD-OAQYLSRUSA-N 0 3 403.548 3.171 50 0 HGAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000007777217 569308580 /nfs/dbraw/zinc/30/85/80/569308580.db2.gz URPVHEJYQWAWGM-FQEVSTJZSA-N 0 3 415.559 3.034 50 0 HGAAHN Cc1ccc(S(=O)(=O)c2c(N)n(CCCN(C)C)c3nc4ccccc4nc32)cc1 ZINC000002217905 569311603 /nfs/dbraw/zinc/31/16/03/569311603.db2.gz QDFPDDBDDZUXIA-UHFFFAOYSA-N 0 3 423.542 3.260 50 0 HGAAHN Cn1ccnc1[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000055044129 569376371 /nfs/dbraw/zinc/37/63/71/569376371.db2.gz MYBIUEVTKKGSLP-JOCHJYFZSA-N 0 3 403.530 3.473 50 0 HGAAHN Cc1cc(C)n(Cc2ccc(C(=O)N3CC[C@H](OCCN4CCCCC4)C3)cc2)n1 ZINC000079105995 569427724 /nfs/dbraw/zinc/42/77/24/569427724.db2.gz YJVDDTNHBJQETO-QHCPKHFHSA-N 0 3 410.562 3.265 50 0 HGAAHN O=C(COc1ccc(N2CCCC2=O)cc1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000040012829 571138296 /nfs/dbraw/zinc/13/82/96/571138296.db2.gz XXOKUQFLRVDKGJ-QFIPXVFZSA-N 0 3 407.514 3.146 50 0 HGAAHN CN1CCC(N(Cc2ccccc2Cl)C(=O)Cn2c(=O)oc3ccccc32)CC1 ZINC000009688538 571280130 /nfs/dbraw/zinc/28/01/30/571280130.db2.gz ANLGFSCGAGKPJT-UHFFFAOYSA-N 0 3 413.905 3.371 50 0 HGAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000009824136 571286453 /nfs/dbraw/zinc/28/64/53/571286453.db2.gz RAAVOIBPMVIKAG-FQEVSTJZSA-N 0 3 424.504 3.390 50 0 HGAAHN O=C1[C@H]2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000002183635 132249144 /nfs/dbraw/zinc/24/91/44/132249144.db2.gz HVAZFJRSXVFBPC-LJQANCHMSA-N 0 3 404.942 3.059 50 0 HGAAHN Cc1c(CN2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)cnn1C ZINC000012074936 132353530 /nfs/dbraw/zinc/35/35/30/132353530.db2.gz YSDISTYGPSMMDA-UHFFFAOYSA-N 0 3 409.578 3.070 50 0 HGAAHN CC(=O)Nc1nc2ccc(CC(=O)NCCCN(C)Cc3ccccc3)cc2s1 ZINC000032959580 519753155 /nfs/dbraw/zinc/75/31/55/519753155.db2.gz VJIVQDWBWFFGSA-UHFFFAOYSA-N 0 3 410.543 3.436 50 0 HGAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2cnc3sccn3c2=O)cc1 ZINC000032908712 521891902 /nfs/dbraw/zinc/89/19/02/521891902.db2.gz UOBFHHODBPCLRV-UHFFFAOYSA-N 0 3 418.522 3.415 50 0 HGAAHN CC[C@@H](CNC(=O)COc1ccc(N2CCCC2=O)cc1)N1CCc2ccccc2C1 ZINC000032446977 522531122 /nfs/dbraw/zinc/53/11/22/522531122.db2.gz RYFKJFPKRQPHLX-NRFANRHFSA-N 0 3 421.541 3.145 50 0 HGAAHN COc1cc(OC)c(NC(=O)C2=C(C)C(=O)OC23CCN(C(C)C)CC3)cc1Cl ZINC000020581637 522798999 /nfs/dbraw/zinc/79/89/99/522798999.db2.gz BTCWYBXJUNFDJA-UHFFFAOYSA-N 0 3 422.909 3.412 50 0 biogenic HGAAHN CN1CCC2(CC1)C[C@H](NC(=O)c1ccc3c(c1)NC(=O)CS3)c1ccccc1O2 ZINC000032676324 523785755 /nfs/dbraw/zinc/78/57/55/523785755.db2.gz KYFCYFAEHROHPZ-SFHVURJKSA-N 0 3 423.538 3.449 50 0 HGAAHN CNC(=O)[C@@H]1C[C@@H](NCc2cccc(C(F)(F)F)c2)CN1C1Cc2ccccc2C1 ZINC000032590174 524088667 /nfs/dbraw/zinc/08/86/67/524088667.db2.gz PABMATGIYXSUIM-CTNGQTDRSA-N 0 3 417.475 3.151 50 0 HGAAHN O=C(NCc1ccccc1CN1CCCC1=O)C1CCN(Cc2ccccc2)CC1 ZINC000044853762 526744094 /nfs/dbraw/zinc/74/40/94/526744094.db2.gz HCOPMCROFBZTEX-UHFFFAOYSA-N 0 3 405.542 3.337 50 0 HGAAHN COc1cc(OC)cc(C(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c1 ZINC000000652114 557039046 /nfs/dbraw/zinc/03/90/46/557039046.db2.gz RWHSCCVBLQIGOS-UHFFFAOYSA-N 0 3 423.557 3.126 50 0 HGAAHN Cc1ccccc1OC[C@@H](O)Cn1c2ccccc2n(CCN2CCCCC2)c1=N ZINC000001273571 557253143 /nfs/dbraw/zinc/25/31/43/557253143.db2.gz JSWWJFBOMZWQSQ-FQEVSTJZSA-N 0 3 408.546 3.156 50 0 HGAAHN CN(C)CCNC(=O)[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)N(C(=O)C2CC2)C1 ZINC000034710127 557389996 /nfs/dbraw/zinc/38/99/96/557389996.db2.gz SUPQUTHCNXNBFZ-FUHWJXTLSA-N 0 3 411.468 3.073 50 0 HGAAHN Cc1cc(C)cc(N2C[C@@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)c1 ZINC000034917975 557483113 /nfs/dbraw/zinc/48/31/13/557483113.db2.gz IGFNBPIFEAIGFZ-NRFANRHFSA-N 0 3 405.542 3.437 50 0 HGAAHN COc1ccc(CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000005675809 557668155 /nfs/dbraw/zinc/66/81/55/557668155.db2.gz JIWOBGZPCHTGKU-UHFFFAOYSA-N 0 3 407.558 3.252 50 0 HGAAHN O=C(Cc1cc(F)ccc1F)NC[C@@H]1CCC2(CCN(Cc3ccccn3)CC2)O1 ZINC000011785614 558275900 /nfs/dbraw/zinc/27/59/00/558275900.db2.gz GENQHMRHUAAHMP-FQEVSTJZSA-N 0 3 415.484 3.232 50 0 HGAAHN Cn1ccc(C(=O)NC[C@H]2CCC3(CCN(Cc4ccc(Cl)cc4)CC3)O2)n1 ZINC000011814238 558278445 /nfs/dbraw/zinc/27/84/45/558278445.db2.gz SITKMRNIQRCOCK-GOSISDBHSA-N 0 3 402.926 3.017 50 0 HGAAHN NC(=O)[C@H]1CCCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000011878940 558293319 /nfs/dbraw/zinc/29/33/19/558293319.db2.gz QYMDKKFNSBISMK-IBGZPJMESA-N 0 3 418.497 3.024 50 0 HGAAHN CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccccc1)CC2 ZINC000011910766 558296563 /nfs/dbraw/zinc/29/65/63/558296563.db2.gz ZPINOFVFIKJHCG-LJQANCHMSA-N 0 3 407.518 3.447 50 0 HGAAHN COc1ccc(CNCc2ccccc2F)cc1OC[C@@H](O)CN1CCCCC1 ZINC000011934018 558298260 /nfs/dbraw/zinc/29/82/60/558298260.db2.gz SFYDCLJQDWDMSW-FQEVSTJZSA-N 0 3 402.510 3.350 50 0 HGAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2nc3ccccc3n2C)CC1 ZINC000011936158 558300266 /nfs/dbraw/zinc/30/02/66/558300266.db2.gz XGVZGZBZICWGMO-HXUWFJFHSA-N 0 3 411.594 3.166 50 0 HGAAHN OCCN1CCN(C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000019891694 558303262 /nfs/dbraw/zinc/30/32/62/558303262.db2.gz IWNJWRRJZAETQO-QGZVFWFLSA-N 0 3 422.356 3.072 50 0 HGAAHN O=C(NCCc1nnc2n1CCN(CCCc1ccccc1)CC2)C1CCCCC1 ZINC000011997426 558307253 /nfs/dbraw/zinc/30/72/53/558307253.db2.gz ZXTZTUTXDHKSIY-UHFFFAOYSA-N 0 3 409.578 3.008 50 0 HGAAHN COc1ccc(/C=C/CN2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)cc1 ZINC000012049442 558313596 /nfs/dbraw/zinc/31/35/96/558313596.db2.gz RLCBFPICNDFKLA-LSTKMXGYSA-N 0 3 410.518 3.217 50 0 HGAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(Cc3ccco3)CC2)c(Cl)c1 ZINC000012092222 558324538 /nfs/dbraw/zinc/32/45/38/558324538.db2.gz IVCKMHBILWBCLV-UHFFFAOYSA-N 0 3 405.926 3.268 50 0 HGAAHN Cc1ccc(CN2CCC3(C[C@H]3C(=O)NCCc3nc4ccccc4n3C)CC2)o1 ZINC000012241492 558360472 /nfs/dbraw/zinc/36/04/72/558360472.db2.gz QLGUUMMOBRBBTR-IBGZPJMESA-N 0 3 406.530 3.436 50 0 HGAAHN CCN1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(OC)c2)C1=O ZINC000020503694 558381281 /nfs/dbraw/zinc/38/12/81/558381281.db2.gz WIQCTYVOLAHKEM-RMDTYCCRSA-N 0 3 405.498 3.297 50 0 HGAAHN CCN1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2OC)C1=O ZINC000020503996 558381314 /nfs/dbraw/zinc/38/13/14/558381314.db2.gz QGBBVLJFUAZDFP-BJMRFWQKSA-N 0 3 405.498 3.297 50 0 HGAAHN CCCCN1C(=O)C(CC(=O)Nc2ccc3c(c2)OCO3)n2c3ccccc3nc21 ZINC000020717714 558401841 /nfs/dbraw/zinc/40/18/41/558401841.db2.gz PQOKRJADCFIRBM-KRWDZBQOSA-N 0 3 406.442 3.482 50 0 HGAAHN COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)CCCc2cccs2)CC1 ZINC000012573601 558429918 /nfs/dbraw/zinc/42/99/18/558429918.db2.gz ZTFKWGDZHMNZTK-FQEVSTJZSA-N 0 3 408.608 3.437 50 0 HGAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)n1 ZINC000021795053 558449429 /nfs/dbraw/zinc/44/94/29/558449429.db2.gz CVZXZYSEKMCKAN-UHFFFAOYSA-N 0 3 400.914 3.393 50 0 HGAAHN Cc1nonc1C(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000012718483 558455874 /nfs/dbraw/zinc/45/58/74/558455874.db2.gz IOWSJOFNYYIUSY-UHFFFAOYSA-N 0 3 410.440 3.424 50 0 HGAAHN COc1ccc(-c2noc(CCC(=O)NC[C@H](c3ccc(OC)cc3)N(C)C)n2)cc1 ZINC000022621367 558503175 /nfs/dbraw/zinc/50/31/75/558503175.db2.gz OWIYHRIVXBDEHF-HXUWFJFHSA-N 0 3 424.501 3.106 50 0 HGAAHN Cn1cc(CN2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000022851656 558516816 /nfs/dbraw/zinc/51/68/16/558516816.db2.gz CBAVPJWUJZODOZ-FQEVSTJZSA-N 0 3 407.484 3.226 50 0 HGAAHN Cc1ccc(-n2cccn2)c(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)c1 ZINC000023129267 558536929 /nfs/dbraw/zinc/53/69/29/558536929.db2.gz AOXVSVKJVOCOGS-DEOSSOPVSA-N 0 3 404.558 3.292 50 0 HGAAHN CCCCn1c(CN2CC[C@H](N(CC)CC)C2)cnc1S(=O)(=O)CC1CCC1 ZINC000023374595 558553913 /nfs/dbraw/zinc/55/39/13/558553913.db2.gz QHPKQQRYIMQRJY-IBGZPJMESA-N 0 3 410.628 3.173 50 0 HGAAHN CCc1c(C(=O)NCCc2ccc(F)cc2)c(=O)cc(C)n1CCN1CCCCC1 ZINC000014962369 558684517 /nfs/dbraw/zinc/68/45/17/558684517.db2.gz XUKSCLVYXSZFJX-UHFFFAOYSA-N 0 3 413.537 3.317 50 0 HGAAHN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000072296024 558748886 /nfs/dbraw/zinc/74/88/86/558748886.db2.gz CSHCHLRAVWKDSV-WIYYLYMNSA-N 0 3 402.583 3.124 50 0 HGAAHN COc1ccccc1CN1CCC(C(=O)NCCc2ccc(OC)c(OC)c2)CC1 ZINC000022241671 558779132 /nfs/dbraw/zinc/77/91/32/558779132.db2.gz BUZBYLIIHYOHSI-UHFFFAOYSA-N 0 3 412.530 3.283 50 0 HGAAHN Cn1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)cc1=O ZINC000058006805 558894591 /nfs/dbraw/zinc/89/45/91/558894591.db2.gz FUCKDHACFBMCQD-UHFFFAOYSA-N 0 3 408.329 3.430 50 0 HGAAHN CN(C)CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021809835 558953118 /nfs/dbraw/zinc/95/31/18/558953118.db2.gz DALDEPSXSVTCDB-JOCHJYFZSA-N 0 3 416.591 3.318 50 0 HGAAHN CCCN1CCN(CCCNC(=O)c2sc3ncccc3c2-n2cccc2)CC1 ZINC000033059863 558953987 /nfs/dbraw/zinc/95/39/87/558953987.db2.gz VKKZWMJDXXDROI-UHFFFAOYSA-N 0 3 411.575 3.235 50 0 HGAAHN CN(C)CCOc1cccc2c1c(NC(=O)[C@H]1CCCO1)nn2-c1ccc(F)cc1 ZINC000072479492 558984026 /nfs/dbraw/zinc/98/40/26/558984026.db2.gz GDDGIFYCFLLFEC-LJQANCHMSA-N 0 3 412.465 3.223 50 0 HGAAHN CCOc1cc(/C=C\C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)ccc1OC(F)F ZINC000096817132 558986998 /nfs/dbraw/zinc/98/69/98/558986998.db2.gz XOONOSBGFTWWMK-CNRGFGOASA-N 0 3 424.488 3.413 50 0 HGAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1 ZINC000067613434 558989126 /nfs/dbraw/zinc/98/91/26/558989126.db2.gz FJPXWUHZDMQPCB-UHFFFAOYSA-N 0 3 403.889 3.140 50 0 HGAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 ZINC000067621362 558989742 /nfs/dbraw/zinc/98/97/42/558989742.db2.gz RUOXTRYTDAIQNX-UHFFFAOYSA-N 0 3 418.545 3.148 50 0 HGAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)n1 ZINC000067621715 558989749 /nfs/dbraw/zinc/98/97/49/558989749.db2.gz GHVKLQKDFBCWPO-UHFFFAOYSA-N 0 3 416.476 3.408 50 0 HGAAHN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000022456932 558995123 /nfs/dbraw/zinc/99/51/23/558995123.db2.gz FXYPTAKKGKQTFF-VEMNPONZSA-N 0 3 416.606 3.222 50 0 biogenic HGAAHN CN(C)Cc1cccc(C(=O)N[C@@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)c1 ZINC000097108898 558995156 /nfs/dbraw/zinc/99/51/56/558995156.db2.gz FVOCOFRAZXWDQQ-QGZVFWFLSA-N 0 3 403.408 3.405 50 0 HGAAHN O=C(CN1CCN(Cc2cccc(Cl)c2)C1=O)N1CCN(C2CCCCC2)CC1 ZINC000097136819 558996424 /nfs/dbraw/zinc/99/64/24/558996424.db2.gz UEJONIOAHYBXHX-UHFFFAOYSA-N 0 3 418.969 3.055 50 0 HGAAHN COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000023127739 559016161 /nfs/dbraw/zinc/01/61/61/559016161.db2.gz WSYCNCNKXRWBFK-UHFFFAOYSA-N 0 3 408.589 3.131 50 0 HGAAHN Cc1nnc(C2CCN(CC(=O)N[C@H](c3cccs3)c3ccc(F)cc3)CC2)[nH]1 ZINC000078742909 560540752 /nfs/dbraw/zinc/54/07/52/560540752.db2.gz LRZMYHMTRXPIDS-FQEVSTJZSA-N 0 3 413.522 3.399 50 0 HGAAHN COc1ccc2c(C)c(CC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1 ZINC000005321458 560568267 /nfs/dbraw/zinc/56/82/67/560568267.db2.gz YGXCNHMZBOCUOQ-UHFFFAOYSA-N 0 3 420.509 3.433 50 0 HGAAHN COc1ccccc1[C@H]1c2ccc(O)cc2Oc2ncn(CCCN(C)C)c(=N)c21 ZINC000005348786 560571070 /nfs/dbraw/zinc/57/10/70/560571070.db2.gz NRBALVWYGYRCKN-FQEVSTJZSA-N 0 3 406.486 3.314 50 0 HGAAHN COc1cc(CN(Cc2cc(=O)n3ccccc3n2)CC(C)C)cc(OC)c1OC ZINC000045974058 568422789 /nfs/dbraw/zinc/42/27/89/568422789.db2.gz GKKNGCHIMCAOGH-UHFFFAOYSA-N 0 3 411.502 3.379 50 0 HGAAHN C[C@H](CCN1CCN(c2ccccc2)CC1)NC(=O)Nc1cccnc1N1CCCC1 ZINC000048276389 568435571 /nfs/dbraw/zinc/43/55/71/568435571.db2.gz HKYZAQJUSIKNFQ-HXUWFJFHSA-N 0 3 422.577 3.404 50 0 HGAAHN COC(=O)C1CCN(CCCNC(=O)C2(Sc3ccccc3)CCCC2)CC1 ZINC000095397998 568604571 /nfs/dbraw/zinc/60/45/71/568604571.db2.gz GMLYYBGLSFZXNU-UHFFFAOYSA-N 0 3 404.576 3.483 50 0 HGAAHN CN(Cc1ccccc1)C[C@@H](O)CN1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000095408259 568606365 /nfs/dbraw/zinc/60/63/65/568606365.db2.gz QMAJSKZMIOQYGY-HSZRJFAPSA-N 0 3 417.553 3.091 50 0 HGAAHN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(CN(C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000095460782 568620481 /nfs/dbraw/zinc/62/04/81/568620481.db2.gz RTIZAPRRXLLGSQ-LEWJYISDSA-N 0 3 416.566 3.208 50 0 HGAAHN C[C@H]1CCCCN1CCNC(=O)c1ccc(CN2C(=O)CSc3ncccc32)cc1 ZINC000020934594 568652231 /nfs/dbraw/zinc/65/22/31/568652231.db2.gz WVNZSYRVVSVTNR-KRWDZBQOSA-N 0 3 424.570 3.325 50 0 HGAAHN O=C(NCCCN1CCN(C2CCCCC2)CC1)c1cccc2c1SCCC2=O ZINC000021103318 568666685 /nfs/dbraw/zinc/66/66/85/568666685.db2.gz FIZIZOMIVJTQLR-UHFFFAOYSA-N 0 3 415.603 3.435 50 0 HGAAHN Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)cc1 ZINC000096099730 568690724 /nfs/dbraw/zinc/69/07/24/568690724.db2.gz VZHLSWBFNZQAMU-IBGZPJMESA-N 0 3 416.543 3.007 50 0 HGAAHN O=S(=O)(c1ccc(-c2cccc(Cl)c2)cc1)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000096099733 568690835 /nfs/dbraw/zinc/69/08/35/568690835.db2.gz RXSUKFQLJKHRLA-HXUWFJFHSA-N 0 3 420.962 3.227 50 0 HGAAHN CN(Cc1ccon1)Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000012612824 568871896 /nfs/dbraw/zinc/87/18/96/568871896.db2.gz KUBNZQAZINIPSB-QHCPKHFHSA-N 0 3 407.514 3.105 50 0 HGAAHN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000003290520 568873630 /nfs/dbraw/zinc/87/36/30/568873630.db2.gz JTVNYAMWDNPQQZ-ICSRJNTNSA-N 0 3 403.473 3.138 50 0 HGAAHN COCCNCc1cc2ccc(F)cc2nc1N1CCN(c2cccc(OC)c2)CC1 ZINC000299770503 568874079 /nfs/dbraw/zinc/87/40/79/568874079.db2.gz RPCPARRRWTUYJR-UHFFFAOYSA-N 0 3 424.520 3.445 50 0 HGAAHN COc1ccc([C@@H](CNC(=O)NCc2ccc(NC(=O)C(C)C)cc2)N(C)C)cc1 ZINC000030987176 568907641 /nfs/dbraw/zinc/90/76/41/568907641.db2.gz VBSIEPMACPNTSG-OAQYLSRUSA-N 0 3 412.534 3.392 50 0 HGAAHN Cc1ccc(-c2cc3n(n2)[C@H](NC2CCN(Cc4ccccc4)CC2)CNC3=O)cc1 ZINC000263615068 568910026 /nfs/dbraw/zinc/91/00/26/568910026.db2.gz AKJFDLRXBKDOID-DEOSSOPVSA-N 0 3 415.541 3.355 50 0 HGAAHN CC(C)[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000012755525 568942834 /nfs/dbraw/zinc/94/28/34/568942834.db2.gz HNDJPUZMIIXMAE-UHFFFAOYSA-N 0 3 419.522 3.229 50 0 HGAAHN O=C(NCCN1CCCCCC1)c1ccc(CN2C(=O)CSc3ncccc32)cc1 ZINC000015682062 568968491 /nfs/dbraw/zinc/96/84/91/568968491.db2.gz CJSOWGPMZLREFU-UHFFFAOYSA-N 0 3 424.570 3.326 50 0 HGAAHN Cc1cc2cc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)CN(C4)CC5)ccc2o1 ZINC000670466916 568972955 /nfs/dbraw/zinc/97/29/55/568972955.db2.gz BSZDWPFGKHEEID-JKJRPBHFSA-N 0 3 401.510 3.039 50 0 HGAAHN O[C@H](COCCOc1ccc(Br)cc1)CN1CCc2ccccc2C1 ZINC000004305291 568977056 /nfs/dbraw/zinc/97/70/56/568977056.db2.gz NNJFKJJMJUZTET-IBGZPJMESA-N 0 3 406.320 3.264 50 0 HGAAHN C[C@@H]1CSc2ccc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)cc2NC1=O ZINC000015730759 568981385 /nfs/dbraw/zinc/98/13/85/568981385.db2.gz UKKZXFQQCAWCMX-OAHLLOKOSA-N 0 3 423.604 3.006 50 0 HGAAHN O=C(NCCN1CCCCC1)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1 ZINC000035398582 569035228 /nfs/dbraw/zinc/03/52/28/569035228.db2.gz BPCNJWOVBCFJGY-UHFFFAOYSA-N 0 3 411.525 3.101 50 0 HGAAHN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCCN1CCC[C@@H](C)C1 ZINC000007005180 569051727 /nfs/dbraw/zinc/05/17/27/569051727.db2.gz WJPLHJXPELWNIX-OAHLLOKOSA-N 0 3 407.536 3.059 50 0 HGAAHN Cc1noc(C)c1CN1CCc2c(C(=O)N(C)C[C@H]3CCCCN3C)csc2C1 ZINC000426432065 569072917 /nfs/dbraw/zinc/07/29/17/569072917.db2.gz VFCBDXGLZQGZBX-QGZVFWFLSA-N 0 3 416.591 3.468 50 0 HGAAHN Cc1nc2cc(C(=O)NCCN3CCCC[C@@H]3C)ccc2n(Cc2ccccc2)c1=O ZINC000064859413 569109421 /nfs/dbraw/zinc/10/94/21/569109421.db2.gz MLFPSCLCADDHRP-SFHVURJKSA-N 0 3 418.541 3.357 50 0 HGAAHN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000019369856 569124500 /nfs/dbraw/zinc/12/45/00/569124500.db2.gz WRMKBSBJQCLVBI-VGUVQKNXSA-N 0 3 424.585 3.089 50 0 biogenic HGAAHN O=C(Cc1nnc(-c2ccc3ncccc3c2)o1)N1CCN(C2CCCCC2)CC1 ZINC000065214691 569197516 /nfs/dbraw/zinc/19/75/16/569197516.db2.gz XQHPATYGTPHAHM-UHFFFAOYSA-N 0 3 405.502 3.304 50 0 HGAAHN O=C(Cn1nc(C(F)F)c2c1CCC2)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 ZINC000036613903 569209413 /nfs/dbraw/zinc/20/94/13/569209413.db2.gz BULNQCPWQKIXLO-UHFFFAOYSA-N 0 3 418.532 3.278 50 0 HGAAHN CN(C)C[C@H](CNC(=O)Nc1cc2c(cc1Cl)OCCO2)[C@@H](O)c1ccccc1 ZINC000065479325 569231623 /nfs/dbraw/zinc/23/16/23/569231623.db2.gz BPDDWYHHXDCHAE-YWZLYKJASA-N 0 3 419.909 3.144 50 0 HGAAHN C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(CC2CCC3(CC2)OCCO3)CC1 ZINC000170612232 569246464 /nfs/dbraw/zinc/24/64/64/569246464.db2.gz OWXMCFDETWFBGF-SFHVURJKSA-N 0 3 412.534 3.349 50 0 HGAAHN CC(C)(Oc1ccc(F)cc1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000170613590 569246958 /nfs/dbraw/zinc/24/69/58/569246958.db2.gz FGRKZRPEVAULRU-OAQYLSRUSA-N 0 3 400.494 3.390 50 0 HGAAHN C[C@H](SC1=N[C@H](c2c[nH]c3ccccc32)NC(=N)N1)C(=O)N1CCc2ccccc21 ZINC000013579105 569256306 /nfs/dbraw/zinc/25/63/06/569256306.db2.gz MNGDBVFBOPWMRL-ORAYPTAESA-N 0 3 418.526 3.151 50 0 HGAAHN CS[C@@H]1CN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)C[C@H]1N(C)C ZINC000089637007 569261424 /nfs/dbraw/zinc/26/14/24/569261424.db2.gz JBAUFOGDFHFJDL-QZTJIDSGSA-N 0 3 405.589 3.077 50 0 HGAAHN COc1cc(C(C)=O)ccc1OCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000252587219 569294865 /nfs/dbraw/zinc/29/48/65/569294865.db2.gz WJPHAQKMPWMYMB-DYESRHJHSA-N 0 3 410.514 3.303 50 0 HGAAHN Cc1ccc(S(=O)(=O)N(C[C@H](O)CN(C)C)c2cc(Cl)ccc2Cl)cc1 ZINC000002202325 569295618 /nfs/dbraw/zinc/29/56/18/569295618.db2.gz QSWBEPXPPKTGDS-OAHLLOKOSA-N 0 3 417.358 3.420 50 0 HGAAHN CC(C)N1CCN([C@@H]2CCOC3(CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)C2)CC1 ZINC000581819686 569320810 /nfs/dbraw/zinc/32/08/10/569320810.db2.gz CATAXIACOWCJRH-JOCHJYFZSA-N 0 3 424.589 3.348 50 0 HGAAHN CC(C)N1CCN([C@H]2CCOC3(CCN(C(=O)c4cccc5[nH]ccc54)CC3)C2)CC1 ZINC000581820099 569320893 /nfs/dbraw/zinc/32/08/93/569320893.db2.gz QWZNYXPYKQPKJP-FQEVSTJZSA-N 0 3 424.589 3.348 50 0 HGAAHN CC(C)N1CCN([C@@H]2CCOC3(CCN(C(=O)c4cc5ccccc5[nH]4)CC3)C2)CC1 ZINC000581819833 569320965 /nfs/dbraw/zinc/32/09/65/569320965.db2.gz NKSGDNNSSBLOIX-OAQYLSRUSA-N 0 3 424.589 3.348 50 0 HGAAHN CCN1CCCC[C@H]1CNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000253424168 569368130 /nfs/dbraw/zinc/36/81/30/569368130.db2.gz BJPFRDAMCPEPAV-HNNXBMFYSA-N 0 3 422.327 3.173 50 0 HGAAHN 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 ZINC000012660016 569402634 /nfs/dbraw/zinc/40/26/34/569402634.db2.gz SYTZVGPWDLPTPO-GXNVDWLQSA-N 0 3 413.558 3.325 50 0 biogenic HGAAHN CCC(CC)(C(=O)N1CCC(C(=O)NCCN(C)C)CC1)c1ccc(Cl)cc1 ZINC000078733096 569420143 /nfs/dbraw/zinc/42/01/43/569420143.db2.gz BKLZCTNIRKCYSA-UHFFFAOYSA-N 0 3 407.986 3.314 50 0 HGAAHN COc1cc(OC)cc(C(=O)N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000079026015 569424892 /nfs/dbraw/zinc/42/48/92/569424892.db2.gz WLFWSHBEPLDWJJ-QHCPKHFHSA-N 0 3 412.530 3.221 50 0 HGAAHN CCOC(=O)C1C(CN2CCCCCC2)=NC(=O)N[C@@H]1c1ccccc1OCC ZINC000067286819 571064863 /nfs/dbraw/zinc/06/48/63/571064863.db2.gz HMGYCUSVVGLUCD-HXUWFJFHSA-N 0 3 401.507 3.132 50 0 HGAAHN Cc1cc(C(=O)CCC(=O)NCc2ccc(N3CCCN(C)CC3)nc2)c(C)s1 ZINC000070037572 571254746 /nfs/dbraw/zinc/25/47/46/571254746.db2.gz KMORQZHQCPKUJX-UHFFFAOYSA-N 0 3 414.575 3.181 50 0 HGAAHN C[C@@]12C[C@@H](c3ccccc3O1)C(S(=O)(=O)c1ccc(Br)cc1)C(=O)N2 ZINC000009407625 571255502 /nfs/dbraw/zinc/25/55/02/571255502.db2.gz FEAIIMRPTFULDF-ZVZYQTTQSA-N 0 3 422.300 3.004 50 0 HGAAHN O=C(NCc1cccs1)C(=O)NC[C@@H](c1cccc2ccccc21)N1CCCC1 ZINC000010334025 571300682 /nfs/dbraw/zinc/30/06/82/571300682.db2.gz FTJCINLBOKTOTD-NRFANRHFSA-N 0 3 407.539 3.471 50 0 HGAAHN COc1ccc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC000004707008 132284462 /nfs/dbraw/zinc/28/44/62/132284462.db2.gz HJKIVJJHBYFQHP-UHFFFAOYSA-N 0 3 411.521 3.395 50 0 HGAAHN O=C(N[C@@H]1CCCN(CCCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000012307876 132358301 /nfs/dbraw/zinc/35/83/01/132358301.db2.gz YFJDDEGSIGHFJK-HSZRJFAPSA-N 0 3 407.558 3.350 50 0 HGAAHN C[C@@H](CCn1cccn1)N1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000012439662 132360151 /nfs/dbraw/zinc/36/01/51/132360151.db2.gz UCUJVUFHPFGBOS-IBGZPJMESA-N 0 3 402.546 3.430 50 0 HGAAHN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000032399032 519798321 /nfs/dbraw/zinc/79/83/21/519798321.db2.gz LQSSUHLMADYJJS-JOCHJYFZSA-N 0 3 411.521 3.145 50 0 HGAAHN CCN(CC)[C@@H](CNC(=O)NCCOc1ccc(OC)cc1)c1cccc(OC)c1 ZINC000032802478 520834991 /nfs/dbraw/zinc/83/49/91/520834991.db2.gz INAAGOHLXQKPIN-QFIPXVFZSA-N 0 3 415.534 3.465 50 0 HGAAHN CCOC(=O)N1CCN([C@H]2CCCN(CC3=Cc4cc(Cl)ccc4OC3)C2)CC1 ZINC000020540301 520962332 /nfs/dbraw/zinc/96/23/32/520962332.db2.gz WITDILJSJTVVLI-FQEVSTJZSA-N 0 3 419.953 3.354 50 0 HGAAHN COCCCN1C(=O)C(CC(=O)Nc2cc(C)ccc2OC)n2c3ccccc3nc21 ZINC000032581141 523288766 /nfs/dbraw/zinc/28/87/66/523288766.db2.gz FWCOXKSNZWWYRI-LJQANCHMSA-N 0 3 422.485 3.306 50 0 HGAAHN CCN1CCC[C@@H]1CNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000006782558 535559405 /nfs/dbraw/zinc/55/94/05/535559405.db2.gz XIROBNIRYHIUSE-LJQANCHMSA-N 0 3 405.546 3.304 50 0 HGAAHN COc1ccc2nc(C)cc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)c2c1 ZINC000006510455 537048097 /nfs/dbraw/zinc/04/80/97/537048097.db2.gz OOKTUNYXLPGFGA-UHFFFAOYSA-N 0 3 415.490 3.202 50 0 HGAAHN CN(C)CCNC(=O)[C@H]1CC[C@@H](c2cccc(C(F)(F)F)c2)N(C(=O)C2CC2)C1 ZINC000034710129 557390012 /nfs/dbraw/zinc/39/00/12/557390012.db2.gz SUPQUTHCNXNBFZ-WMZOPIPTSA-N 0 3 411.468 3.073 50 0 HGAAHN CC(=O)Oc1c(C)cc(OC[C@H](O)CNCCOc2ccccc2C)c(C)c1C ZINC000006504800 557705962 /nfs/dbraw/zinc/70/59/62/557705962.db2.gz MQBHPOWESALHTB-HXUWFJFHSA-N 0 3 401.503 3.254 50 0 HGAAHN O=C(NCCN1CCCCC1)c1ccccc1OC1CCN(Cc2ccccn2)CC1 ZINC000011665068 558268538 /nfs/dbraw/zinc/26/85/38/558268538.db2.gz UHIXUAFDLRRWMV-UHFFFAOYSA-N 0 3 422.573 3.341 50 0 HGAAHN COc1ccc(CN(C)Cc2ccncc2C)cc1OC[C@@H](O)CN1CCCCC1 ZINC000011665250 558268746 /nfs/dbraw/zinc/26/87/46/558268746.db2.gz OALNVGJPNXJWGU-QFIPXVFZSA-N 0 3 413.562 3.256 50 0 HGAAHN COc1ccc(CN2CCC3(CC[C@@H](CNC(=O)c4ccccc4)O3)CC2)cc1O ZINC000011783971 558275313 /nfs/dbraw/zinc/27/53/13/558275313.db2.gz PPRXQYBOTFAXTE-FQEVSTJZSA-N 0 3 410.514 3.344 50 0 HGAAHN CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccccc1)CC2 ZINC000011910767 558296664 /nfs/dbraw/zinc/29/66/64/558296664.db2.gz ZPINOFVFIKJHCG-IBGZPJMESA-N 0 3 407.518 3.447 50 0 HGAAHN O=C(NC[C@H]1CCC2(CCN(Cc3cc4ccccc4o3)CC2)O1)C1CCOCC1 ZINC000011964020 558304000 /nfs/dbraw/zinc/30/40/00/558304000.db2.gz ANUJYHMFEHXXIC-HXUWFJFHSA-N 0 3 412.530 3.489 50 0 HGAAHN COc1cc(CN2CCC(N3CCN(c4ccccc4)CC3)CC2)cc(OC)c1O ZINC000020064772 558330281 /nfs/dbraw/zinc/33/02/81/558330281.db2.gz GIJUQPBOQFXUQK-UHFFFAOYSA-N 0 3 411.546 3.196 50 0 HGAAHN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccc4nsnc4c3)C2)CC1 ZINC000020119085 558336795 /nfs/dbraw/zinc/33/67/95/558336795.db2.gz QNWVDPVAHZYNDK-LJQANCHMSA-N 0 3 423.586 3.487 50 0 HGAAHN CCn1cc(CNCc2ccc(OC[C@H](O)CN(C)Cc3ccccc3)cc2)cn1 ZINC000012226472 558357077 /nfs/dbraw/zinc/35/70/77/558357077.db2.gz VMBBAXPOLHGQDV-HSZRJFAPSA-N 0 3 408.546 3.065 50 0 HGAAHN O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000012297369 558367446 /nfs/dbraw/zinc/36/74/46/558367446.db2.gz GWXJFQRUOAOVGP-IBGZPJMESA-N 0 3 418.497 3.494 50 0 HGAAHN CCOc1cc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)ccc1OC ZINC000012597167 558438178 /nfs/dbraw/zinc/43/81/78/558438178.db2.gz MKJAOLBREUBGKW-HXUWFJFHSA-N 0 3 404.551 3.381 50 0 HGAAHN CCOc1cc(CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)ccc1OC ZINC000012597165 558438221 /nfs/dbraw/zinc/43/82/21/558438221.db2.gz MKJAOLBREUBGKW-FQEVSTJZSA-N 0 3 404.551 3.381 50 0 HGAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CCCn1cncn1 ZINC000012714390 558454295 /nfs/dbraw/zinc/45/42/95/558454295.db2.gz BSYXLSHJMCTQDD-HXUWFJFHSA-N 0 3 401.530 3.001 50 0 HGAAHN OCC[C@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CCN1CCc1ccccc1 ZINC000022932835 558485898 /nfs/dbraw/zinc/48/58/98/558485898.db2.gz JWKRBUIXPMHKTO-QHCPKHFHSA-N 0 3 418.541 3.380 50 0 HGAAHN Cn1c(CCN2CCN(C)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000022930745 558524225 /nfs/dbraw/zinc/52/42/25/558524225.db2.gz XXRUHPVVABVLIJ-UHFFFAOYSA-N 0 3 411.937 3.269 50 0 HGAAHN CN(Cc1ccccc1CN1CCCC1)C(=O)[C@H]1CCC(=O)N(Cc2ccccn2)C1 ZINC000012448101 558592659 /nfs/dbraw/zinc/59/26/59/558592659.db2.gz NJOTWNXTGFCRNO-QFIPXVFZSA-N 0 3 420.557 3.075 50 0 HGAAHN O=C1NC2(CCCC2)C(=O)N1CCCNCc1ccccc1OCc1ccccn1 ZINC000025311825 558637512 /nfs/dbraw/zinc/63/75/12/558637512.db2.gz NBFPUPNJPYWEJN-UHFFFAOYSA-N 0 3 408.502 3.005 50 0 HGAAHN Cc1cc(=O)c(C(=O)NCC2(N(C)C)CCCCCC2)nn1-c1ccccc1F ZINC000025443693 558641216 /nfs/dbraw/zinc/64/12/16/558641216.db2.gz XMKOPFHRHFHKAX-UHFFFAOYSA-N 0 3 400.498 3.064 50 0 HGAAHN COc1cc(C(C)=O)ccc1OCC(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000025534956 558642994 /nfs/dbraw/zinc/64/29/94/558642994.db2.gz KIDJPEQIOOBKOY-JOCHJYFZSA-N 0 3 424.541 3.476 50 0 HGAAHN CC(C)CN1C(=O)N(C)C(=O)C12CCN(Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000014531313 558656045 /nfs/dbraw/zinc/65/60/45/558656045.db2.gz HEEQBLZODMVMFH-UHFFFAOYSA-N 0 3 413.440 3.470 50 0 HGAAHN CCc1nc(C(=O)N2CC[C@H](N3CCCC3)C2)nn1-c1c(Cl)cccc1Cl ZINC000069982357 558665572 /nfs/dbraw/zinc/66/55/72/558665572.db2.gz SPLUCSBYTLLQBN-ZDUSSCGKSA-N 0 3 408.333 3.447 50 0 HGAAHN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](NCc1cc(F)cc(F)c1)CC2 ZINC000014740928 558666896 /nfs/dbraw/zinc/66/68/96/558666896.db2.gz PYKQRSOSOOYDNN-KRWDZBQOSA-N 0 3 414.456 3.211 50 0 HGAAHN CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](N1CC=C(c3ccccc3)CC1)C2 ZINC000014745308 558668732 /nfs/dbraw/zinc/66/87/32/558668732.db2.gz IWFRDAWXWLNPNV-NRFANRHFSA-N 0 3 420.557 3.022 50 0 HGAAHN CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccccc1)CC2 ZINC000014746966 558669357 /nfs/dbraw/zinc/66/93/57/558669357.db2.gz CTHLKOPMHBDUNP-UHFFFAOYSA-N 0 3 406.530 3.333 50 0 HGAAHN CCCCc1ncc(CN2CCC3(CC2)C(=O)N(CCc2ccccc2)C(=O)N3C)[nH]1 ZINC000014750993 558670916 /nfs/dbraw/zinc/67/09/16/558670916.db2.gz MMYDEMVRVUUHPL-UHFFFAOYSA-N 0 3 423.561 3.224 50 0 HGAAHN O=C(Cc1c(F)cccc1F)NC[C@H]1CCC2(CCN(Cc3cccnc3)CC2)O1 ZINC000014884383 558677260 /nfs/dbraw/zinc/67/72/60/558677260.db2.gz LVHZKKHDSPHFSH-GOSISDBHSA-N 0 3 415.484 3.232 50 0 HGAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cccs2)CC1 ZINC000014973645 558688484 /nfs/dbraw/zinc/68/84/84/558688484.db2.gz HERAFSBCURYSBU-UHFFFAOYSA-N 0 3 404.532 3.176 50 0 HGAAHN CC(C)C(=O)NCCc1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000014992636 558695026 /nfs/dbraw/zinc/69/50/26/558695026.db2.gz SGVNGIVGLROXGB-UHFFFAOYSA-N 0 3 417.557 3.318 50 0 HGAAHN Cc1nnc([C@H](C)NC(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)[n-]1 ZINC000015073485 558714279 /nfs/dbraw/zinc/71/42/79/558714279.db2.gz QJZAKVKFNGNIQQ-KRWDZBQOSA-N 0 3 403.530 3.002 50 0 HGAAHN Cc1nnc([C@H](C)NC(=O)C2([N@@H+](C)CCc3ccccc3)Cc3ccccc3C2)[n-]1 ZINC000015073485 558714281 /nfs/dbraw/zinc/71/42/81/558714281.db2.gz QJZAKVKFNGNIQQ-KRWDZBQOSA-N 0 3 403.530 3.002 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000029562904 558716774 /nfs/dbraw/zinc/71/67/74/558716774.db2.gz ZWWWNLBHSRKUOG-UHFFFAOYSA-N 0 3 423.538 3.276 50 0 HGAAHN CCS[C@@H]1CC[C@@H](N(C)CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000072304993 558757086 /nfs/dbraw/zinc/75/70/86/558757086.db2.gz HHPIENICULYOPB-WOJBJXKFSA-N 0 3 403.592 3.031 50 0 HGAAHN CCCC(=O)OC[C@@H](O)CN(Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000036095780 558797660 /nfs/dbraw/zinc/79/76/60/558797660.db2.gz YWZVMCXBNCBSLJ-FQEVSTJZSA-N 0 3 401.503 3.410 50 0 HGAAHN Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)CNCN2CCCCCC2)[C@@H]3CCC1 ZINC000019332249 558868722 /nfs/dbraw/zinc/86/87/22/558868722.db2.gz KTBVROFFDADDER-GBXCKJPGSA-N 0 3 410.606 3.427 50 0 HGAAHN COc1cc(NC(=O)CC2C(=O)Nc3c(-c4ccccc4)cnn32)cc(OC)c1OC ZINC000071287838 558896998 /nfs/dbraw/zinc/89/69/98/558896998.db2.gz QGWUMQOVOVEBTB-INIZCTEOSA-N 0 3 422.441 3.098 50 0 HGAAHN CSc1nsc(SCC(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000004720665 558923856 /nfs/dbraw/zinc/92/38/56/558923856.db2.gz PGIJDDCQKMIQKA-UHFFFAOYSA-N 0 3 424.661 3.465 50 0 HGAAHN CN(C)Cc1ccccc1CNC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000058406324 558924464 /nfs/dbraw/zinc/92/44/64/558924464.db2.gz UZLHYIDGIXIQGQ-INIZCTEOSA-N 0 3 402.489 3.352 50 0 HGAAHN Cc1cc(N2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)nc(N)n1 ZINC000095520273 559085161 /nfs/dbraw/zinc/08/51/61/559085161.db2.gz YMNGOVQRPOCXES-UHFFFAOYSA-N 0 3 404.474 3.410 50 0 HGAAHN COc1ccc(C(=O)N[C@@H](C)c2nc(C)c[nH]2)cc1OC1CCN(C(C)C)CC1 ZINC000095525428 559085931 /nfs/dbraw/zinc/08/59/31/559085931.db2.gz BNXMSMDGFGFJQM-INIZCTEOSA-N 0 3 400.523 3.469 50 0 HGAAHN O=S(=O)(NCC1CCN([C@@H]2CCSC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000225573947 559189283 /nfs/dbraw/zinc/18/92/83/559189283.db2.gz KPDAXHPJXSDGOO-OAHLLOKOSA-N 0 3 408.511 3.201 50 0 HGAAHN Cc1cnc2ccccc2c1NC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000408519075 559213737 /nfs/dbraw/zinc/21/37/37/559213737.db2.gz WWXYVICLEYFOKJ-HXUWFJFHSA-N 0 3 404.514 3.244 50 0 HGAAHN O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CCCN(c2ncccn2)CC1 ZINC000061721956 560538017 /nfs/dbraw/zinc/53/80/17/560538017.db2.gz JNAKPEFQAFTWNI-LJQANCHMSA-N 0 3 401.514 3.158 50 0 HGAAHN COC(=O)c1sccc1NC(=O)CSc1ccccc1NC(=O)CNC(C)C ZINC000005633257 560635097 /nfs/dbraw/zinc/63/50/97/560635097.db2.gz ATAVQOUBPUNZFU-UHFFFAOYSA-N 0 3 421.544 3.202 50 0 HGAAHN CCN1CCN(Cc2ccc(NC(=O)CSCc3csc(C)n3)cc2)CC1 ZINC000046939340 560879592 /nfs/dbraw/zinc/87/95/92/560879592.db2.gz NBRSOKYWOSQSOI-UHFFFAOYSA-N 0 3 404.605 3.461 50 0 HGAAHN CC(C)CCNC(=O)C1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000048302794 568437814 /nfs/dbraw/zinc/43/78/14/568437814.db2.gz OKUBLIRUCSFRJG-NRFANRHFSA-N 0 3 417.569 3.439 50 0 HGAAHN CCOC(=O)c1c2c(sc1NC(=O)c1cc(C)nn1C)C(C)(C)NC(C)(C)C2 ZINC000012286769 568458675 /nfs/dbraw/zinc/45/86/75/568458675.db2.gz SYQDAEWGUBGFMR-UHFFFAOYSA-N 0 3 404.536 3.378 50 0 HGAAHN O=S(=O)(NC1CCN(C[C@H](O)Cc2ccc3ccccc3c2)CC1)c1ccccc1 ZINC000225396248 568633627 /nfs/dbraw/zinc/63/36/27/568633627.db2.gz HBNXUQFUILQMSD-HSZRJFAPSA-N 0 3 424.566 3.186 50 0 HGAAHN CCCCn1c(SCCCN2CCN(C)CC2)nnc1-c1ccc(OC)cc1 ZINC000225566812 568651863 /nfs/dbraw/zinc/65/18/63/568651863.db2.gz QSVPKMYREBMNIG-UHFFFAOYSA-N 0 3 403.596 3.483 50 0 HGAAHN C[C@@H](NCc1ccccc1-n1ccnc1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013573 568685344 /nfs/dbraw/zinc/68/53/44/568685344.db2.gz CZBNFNZDZMBRRF-AUSIDOKSSA-N 0 3 420.513 3.388 50 0 HGAAHN Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cc1 ZINC000096099731 568690694 /nfs/dbraw/zinc/69/06/94/568690694.db2.gz VZHLSWBFNZQAMU-LJQANCHMSA-N 0 3 416.543 3.007 50 0 HGAAHN CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000025536103 568774588 /nfs/dbraw/zinc/77/45/88/568774588.db2.gz DFSVNQGRLZNUQZ-IRLDBZIGSA-N 0 3 411.546 3.233 50 0 HGAAHN Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)N(C)C3CCN(C)CC3)cc2)cc1 ZINC000003229765 568864703 /nfs/dbraw/zinc/86/47/03/568864703.db2.gz KDJBZXVOYBNJSH-UHFFFAOYSA-N 0 3 409.530 3.203 50 0 HGAAHN Cc1ccoc1C(=O)N1CCC2(C[C@H]2C(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000299771893 568874405 /nfs/dbraw/zinc/87/44/05/568874405.db2.gz XCVGVGQAXDYHMU-FQEVSTJZSA-N 0 3 413.562 3.307 50 0 HGAAHN Cc1ccc2c(c1)cc(CNCCn1cncn1)c(=O)n2Cc1ccccc1Cl ZINC000299798050 568876458 /nfs/dbraw/zinc/87/64/58/568876458.db2.gz QQTMAVHVTRKNJP-UHFFFAOYSA-N 0 3 407.905 3.393 50 0 HGAAHN O=c1c2cc(NC(=S)NCCN3CCCCCC3)ccc2nc2n1CCCCC2 ZINC000003646037 568922217 /nfs/dbraw/zinc/92/22/17/568922217.db2.gz OUYRFCVSAIRWJT-UHFFFAOYSA-N 0 3 413.591 3.285 50 0 HGAAHN O=C(Nc1ccccc1OC(F)F)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000084535857 568950449 /nfs/dbraw/zinc/95/04/49/568950449.db2.gz RFSJONJVHKYTDY-DLBZAZTESA-N 0 3 405.445 3.293 50 0 HGAAHN C[C@H]1CN(CCC(=O)NC[C@H](c2cccnc2)N2CCCCC2)Cc2ccccc2O1 ZINC000011842026 568987190 /nfs/dbraw/zinc/98/71/90/568987190.db2.gz FGSJMNRARDTAIL-NZQKXSOJSA-N 0 3 422.573 3.398 50 0 HGAAHN C[C@H]1CCCCN1CCNC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035454050 569037906 /nfs/dbraw/zinc/03/79/06/569037906.db2.gz JHXQAULVEPFVOL-SFHVURJKSA-N 0 3 410.562 3.401 50 0 HGAAHN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCCN1CCC[C@H](C)C1 ZINC000007005178 569051771 /nfs/dbraw/zinc/05/17/71/569051771.db2.gz WJPLHJXPELWNIX-HNNXBMFYSA-N 0 3 407.536 3.059 50 0 HGAAHN CCc1ccc(CN2CCc3c(C(=O)NC[C@@H]4CCCCN4C)csc3C2)nc1 ZINC000426440211 569073016 /nfs/dbraw/zinc/07/30/16/569073016.db2.gz COSWIGQYBGTZST-IBGZPJMESA-N 0 3 412.603 3.478 50 0 HGAAHN Cc1c([O-])ccc2c(C)c(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)oc12 ZINC000006658913 569083635 /nfs/dbraw/zinc/08/36/35/569083635.db2.gz SFVAFVWAQCHVTK-UHFFFAOYSA-N 0 3 420.509 3.439 50 0 HGAAHN Cc1ccc(CN(CCN2CCOCC2)C[C@H](O)COCc2ccccc2)c(C)c1 ZINC000036098852 569090826 /nfs/dbraw/zinc/09/08/26/569090826.db2.gz FFQCSGFPJKCLQQ-VWLOTQADSA-N 0 3 412.574 3.015 50 0 HGAAHN Cc1nn([C@@H](C)C(=O)NCCN2CCCC[C@@H]2C)c(=O)c2c3ccccc3sc21 ZINC000006799190 569126236 /nfs/dbraw/zinc/12/62/36/569126236.db2.gz PAAARZPLPHHPHR-HOCLYGCPSA-N 0 3 412.559 3.471 50 0 HGAAHN Cc1ccc(-c2nnc(N3CCC(C(=O)NCCN4CCCC[C@@H]4C)CC3)o2)cc1 ZINC000065229623 569200505 /nfs/dbraw/zinc/20/05/05/569200505.db2.gz RVTDJHZMJBGEOD-SFHVURJKSA-N 0 3 411.550 3.252 50 0 HGAAHN COc1ccc(OC[C@@H](O)CNCCOc2ccccc2OC)c(C(C)(C)C)c1 ZINC000007015393 569200890 /nfs/dbraw/zinc/20/08/90/569200890.db2.gz AVSREIAJBVOXTD-KRWDZBQOSA-N 0 3 403.519 3.410 50 0 HGAAHN COc1ccccc1CNC(=O)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065255884 569208124 /nfs/dbraw/zinc/20/81/24/569208124.db2.gz SVBKEKIGUQTQQK-OAQYLSRUSA-N 0 3 402.498 3.171 50 0 HGAAHN O=C(NCc1cc(F)cc(F)c1)c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1 ZINC000065256401 569208394 /nfs/dbraw/zinc/20/83/94/569208394.db2.gz WWDZVCKTHRTTPK-OAQYLSRUSA-N 0 3 408.452 3.441 50 0 HGAAHN O=C(NCc1cc(F)cc(F)c1)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065256383 569208398 /nfs/dbraw/zinc/20/83/98/569208398.db2.gz DGYRGFHKIWZELR-OAQYLSRUSA-N 0 3 408.452 3.441 50 0 HGAAHN O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000065529604 569233888 /nfs/dbraw/zinc/23/38/88/569233888.db2.gz GVHGNIFAAQTNGQ-RBUKOAKNSA-N 0 3 414.500 3.365 50 0 HGAAHN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@H](c1ccccc1)C(C)C ZINC000010026415 569252869 /nfs/dbraw/zinc/25/28/69/569252869.db2.gz OMNRNQHZVNRRMD-NRFANRHFSA-N 0 3 403.548 3.171 50 0 HGAAHN Cc1cccc(NC(=O)CSC2=N[C@H](c3c[nH]c4ccccc43)NC(=N)N2)c1C ZINC000013579091 569256335 /nfs/dbraw/zinc/25/63/35/569256335.db2.gz LNAYSNNCRYWYLD-LJQANCHMSA-N 0 3 406.515 3.429 50 0 HGAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000007777216 569308601 /nfs/dbraw/zinc/30/86/01/569308601.db2.gz URPVHEJYQWAWGM-HXUWFJFHSA-N 0 3 415.559 3.034 50 0 HGAAHN CN(C)CCn1ncc(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)c1-c1ccccc1 ZINC000253430828 569368889 /nfs/dbraw/zinc/36/88/89/569368889.db2.gz GABYWKLUUDKTCU-JOCHJYFZSA-N 0 3 420.513 3.031 50 0 HGAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)CCCn2cnc3ccccc3c2=O)C1 ZINC000670473488 571101995 /nfs/dbraw/zinc/10/19/95/571101995.db2.gz BHDRXTPLOKKFIC-HXUWFJFHSA-N 0 3 418.541 3.091 50 0 HGAAHN Cc1cc(CN2CCC(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)on1 ZINC000245180737 571215444 /nfs/dbraw/zinc/21/54/44/571215444.db2.gz ZIRRPJOMGOQULW-UHFFFAOYSA-N 0 3 409.456 3.183 50 0 HGAAHN O=S(=O)(NCC1CCN(c2ccncc2)CC1)c1ccccc1Br ZINC000070922271 571281967 /nfs/dbraw/zinc/28/19/67/571281967.db2.gz BSWWMLIPSQADLJ-UHFFFAOYSA-N 0 3 410.337 3.039 50 0 HGAAHN O=C(CC[C@H]1CCCN(Cc2cccc(O)c2)C1)N1CCN(c2ccccn2)CC1 ZINC000012111668 132354149 /nfs/dbraw/zinc/35/41/49/132354149.db2.gz OGQHAUQVJOVCJG-HXUWFJFHSA-N 0 3 408.546 3.128 50 0 HGAAHN O=S(=O)([N-]c1ccc(N2CCC([NH2+]C3CCOCC3)CC2)cc1)c1ccccc1 ZINC000012150140 132355201 /nfs/dbraw/zinc/35/52/01/132355201.db2.gz BGVWBZPLWWRHKH-UHFFFAOYSA-N 0 3 415.559 3.225 50 0 HGAAHN CCN(CC)[C@H](CNC(=O)NCCOc1ccc(OC)cc1)c1cccc(OC)c1 ZINC000032802480 520863985 /nfs/dbraw/zinc/86/39/85/520863985.db2.gz INAAGOHLXQKPIN-JOCHJYFZSA-N 0 3 415.534 3.465 50 0 HGAAHN COc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccccc1F ZINC000020028300 522450830 /nfs/dbraw/zinc/45/08/30/522450830.db2.gz MZGMRPPQNLSDMK-UHFFFAOYSA-N 0 3 408.901 3.489 50 0 HGAAHN Cc1cccn2c(CN3CC[C@@H](c4ccc(F)cc4)C3)c(C(=O)N3CCOCC3)nc12 ZINC000020539495 525464496 /nfs/dbraw/zinc/46/44/96/525464496.db2.gz OXOKFEBQEJEQEY-LJQANCHMSA-N 0 3 422.504 3.244 50 0 HGAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000032779890 526578982 /nfs/dbraw/zinc/57/89/82/526578982.db2.gz BUKYQWMKLBWKAX-LJQANCHMSA-N 0 3 413.953 3.300 50 0 HGAAHN O=C(NCc1ccccc1Cl)C(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC000043941009 526745225 /nfs/dbraw/zinc/74/52/25/526745225.db2.gz YWELOIYYXIISAM-UHFFFAOYSA-N 0 3 405.951 3.046 50 0 HGAAHN CCN1CCC[C@H]1CNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000006782561 535599969 /nfs/dbraw/zinc/59/99/69/535599969.db2.gz XIROBNIRYHIUSE-IBGZPJMESA-N 0 3 405.546 3.304 50 0 HGAAHN Cc1cc([C@@H]2C[C@@H](C(=O)NCCN(C)C)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000034715482 557429065 /nfs/dbraw/zinc/42/90/65/557429065.db2.gz AJUCGIIGBBADAM-NHCUHLMSSA-N 0 3 411.521 3.058 50 0 HGAAHN CCN1CCC[C@@H]1CNc1nc2ccc(C(=O)c3ccccc3)cc2n2cnnc12 ZINC000006901587 557729431 /nfs/dbraw/zinc/72/94/31/557729431.db2.gz RAIQMLXIGJSBSR-GOSISDBHSA-N 0 3 400.486 3.405 50 0 HGAAHN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000022912939 558258471 /nfs/dbraw/zinc/25/84/71/558258471.db2.gz BUTOPUCPVGTAQO-JOCHJYFZSA-N 0 3 407.558 3.417 50 0 HGAAHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)/C=C/c3cccnc3)C2)cc1OC ZINC000011662282 558266181 /nfs/dbraw/zinc/26/61/81/558266181.db2.gz WJYQKAGEEKHMHC-FKVRIVCVSA-N 0 3 409.530 3.278 50 0 HGAAHN O=C(NCc1ccccn1)c1ccc(OC2CCN(CCCn3cccn3)CC2)cc1 ZINC000011667562 558269522 /nfs/dbraw/zinc/26/95/22/558269522.db2.gz IWPPACHSZIDJGZ-UHFFFAOYSA-N 0 3 419.529 3.142 50 0 HGAAHN COCCNC(=O)c1ccc(OC2CCN([C@@H](C)CSC)CC2)c(Cl)c1 ZINC000011700637 558270604 /nfs/dbraw/zinc/27/06/04/558270604.db2.gz LVDUXXAULPIEOP-AWEZNQCLSA-N 0 3 400.972 3.311 50 0 HGAAHN COc1ccc(CN(C)Cc2ccc(C)o2)cc1OC[C@H](O)CN1CCCCC1 ZINC000011763025 558273649 /nfs/dbraw/zinc/27/36/49/558273649.db2.gz LYUHHTWOWFGBMW-HXUWFJFHSA-N 0 3 402.535 3.454 50 0 HGAAHN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C2CCN(C(C)=O)CC2)C1 ZINC000011817523 558281001 /nfs/dbraw/zinc/28/10/01/558281001.db2.gz LOGBHXDZHUPWOZ-QFIPXVFZSA-N 0 3 408.489 3.164 50 0 HGAAHN CN(C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)C1CCN(C)CC1 ZINC000011818256 558281587 /nfs/dbraw/zinc/28/15/87/558281587.db2.gz LSJVNPJPIWQOGJ-UHFFFAOYSA-N 0 3 422.573 3.291 50 0 HGAAHN CCOC(=O)[C@]1(CCOC)CCCN(Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000011820123 558283407 /nfs/dbraw/zinc/28/34/07/558283407.db2.gz RDKCCYUWUVEIKL-QFIPXVFZSA-N 0 3 401.507 3.267 50 0 HGAAHN COc1cccc(CN2CCC[C@@]3(CCN(Cc4cccc(C)n4)C3)C2=O)c1OC ZINC000011822105 558285422 /nfs/dbraw/zinc/28/54/22/558285422.db2.gz KVGTYLXUCQBRJA-DEOSSOPVSA-N 0 3 409.530 3.422 50 0 HGAAHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(F)c(F)c1 ZINC000019819063 558289115 /nfs/dbraw/zinc/28/91/15/558289115.db2.gz ODUOKNBNOKSUAT-HNNXBMFYSA-N 0 3 400.381 3.403 50 0 HGAAHN CCN(CCN(C)C)C(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 ZINC000011868199 558289941 /nfs/dbraw/zinc/28/99/41/558289941.db2.gz TZXLTZQKJPFBQC-UHFFFAOYSA-N 0 3 422.508 3.370 50 0 HGAAHN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](N(C)CCc2ccccc2)C1 ZINC000011878645 558293044 /nfs/dbraw/zinc/29/30/44/558293044.db2.gz ZYMIMCMUMXGBNB-HXUWFJFHSA-N 0 3 402.560 3.331 50 0 HGAAHN OCC[C@@H]1CN(C2CCN(c3ccccc3F)CC2)CCN1Cc1cccs1 ZINC000019840775 558294063 /nfs/dbraw/zinc/29/40/63/558294063.db2.gz OWXCSGTYRWWHSB-LJQANCHMSA-N 0 3 403.567 3.425 50 0 HGAAHN COC(=O)c1ccc(CN2CC[C@H]3[C@H](CCCN3C(=O)CCc3cccnc3)C2)cc1 ZINC000011912681 558297186 /nfs/dbraw/zinc/29/71/86/558297186.db2.gz LHXMRIHPXOOKMM-PKTZIBPZSA-N 0 3 421.541 3.314 50 0 HGAAHN C[C@H](CCN1CCc2nnc(CNC(=O)c3ccccc3)n2CC1)c1ccccc1 ZINC000011999318 558307897 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COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(C(N)=O)CC2)c(F)c1 ZINC000012057606 558316665 /nfs/dbraw/zinc/31/66/65/558316665.db2.gz LPCGJAFZGBKXRK-UHFFFAOYSA-N 0 3 408.477 3.384 50 0 HGAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ccccc2C)CC1 ZINC000012073423 558318406 /nfs/dbraw/zinc/31/84/06/558318406.db2.gz ALSHSCVYKGRULL-UHFFFAOYSA-N 0 3 412.530 3.423 50 0 HGAAHN O=C(NCCCc1ccccc1)[C@H]1CC12CCN(Cc1ccc(OCCO)cc1)CC2 ZINC000012245116 558361403 /nfs/dbraw/zinc/36/14/03/558361403.db2.gz TYHYOUBMHTUKLK-XMMPIXPASA-N 0 3 422.569 3.409 50 0 HGAAHN Cn1ccnc1CN(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012298492 558368545 /nfs/dbraw/zinc/36/85/45/558368545.db2.gz LPAALVAXGJTZQG-OAQYLSRUSA-N 0 3 400.542 3.452 50 0 HGAAHN CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)CCCN1CCCCC1=O ZINC000012314793 558378286 /nfs/dbraw/zinc/37/82/86/558378286.db2.gz NNMQIZLOZWWZEC-UHFFFAOYSA-N 0 3 417.569 3.331 50 0 HGAAHN O=C(NCCn1ccnc1)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012317098 558380506 /nfs/dbraw/zinc/38/05/06/558380506.db2.gz 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O=C(NCCN1CCCCC1)[C@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1 ZINC000035455149 569037863 /nfs/dbraw/zinc/03/78/63/569037863.db2.gz MYYAPQYFJWSEEQ-IBGZPJMESA-N 0 3 411.525 3.101 50 0 HGAAHN COc1ccccc1CN(Cc1nc(C(=O)NCCN(C)C)co1)Cc1ccccc1 ZINC000036053773 569083909 /nfs/dbraw/zinc/08/39/09/569083909.db2.gz JCLLBGTUSPRIBM-UHFFFAOYSA-N 0 3 422.529 3.177 50 0 HGAAHN Cc1nc2cc(C(=O)NCC3CCN(Cc4ccccc4F)CC3)ccc2n(C)c1=O ZINC000064859013 569109290 /nfs/dbraw/zinc/10/92/90/569109290.db2.gz DPJRJIOTCQWVLD-UHFFFAOYSA-N 0 3 422.504 3.023 50 0 HGAAHN Cc1ccc(C(=O)N2[C@H](C(=O)NCCN(C)C)CS[C@@H]2C2CCCCC2)cc1 ZINC000006838349 569149621 /nfs/dbraw/zinc/14/96/21/569149621.db2.gz URVPKNCRRFHEBR-SIKLNZKXSA-N 0 3 403.592 3.137 50 0 HGAAHN C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000036395393 569168769 /nfs/dbraw/zinc/16/87/69/569168769.db2.gz YFRVCXMULMTCAR-YOSAUDMPSA-N 0 3 407.558 3.300 50 0 HGAAHN COc1ccc(CNC(=O)c2cccc(N3CCN[C@@H](c4ccccc4)C3)n2)cc1 ZINC000065256312 569208425 /nfs/dbraw/zinc/20/84/25/569208425.db2.gz KCOOXLBXJYTJGE-JOCHJYFZSA-N 0 3 402.498 3.171 50 0 HGAAHN CN(C)CCNC(=O)C1CCN(c2nc3ccc(-c4ccccc4)nc3s2)CC1 ZINC000065272089 569215527 /nfs/dbraw/zinc/21/55/27/569215527.db2.gz RDHCVIFYUJBIMY-UHFFFAOYSA-N 0 3 409.559 3.253 50 0 HGAAHN CCN(CC)c1ccc(S(N)(=O)=O)cc1NC(=O)CN(C)C1CCCCCCC1 ZINC000170616836 569247574 /nfs/dbraw/zinc/24/75/74/569247574.db2.gz APEUGZZJFOHRHD-UHFFFAOYSA-N 0 3 424.611 3.163 50 0 HGAAHN COc1ccccc1-c1nc(NCCN(C)C)nc2nn(Cc3ccccc3)c(N)c21 ZINC000037358864 569277489 /nfs/dbraw/zinc/27/74/89/569277489.db2.gz ABUDONCOZGQOEI-UHFFFAOYSA-N 0 3 417.517 3.106 50 0 HGAAHN Cn1nc(C(=O)Nc2cccc(OCCN3CCCCC3)c2)c2ccccc2c1=O ZINC000524733466 569291762 /nfs/dbraw/zinc/29/17/62/569291762.db2.gz TWMNTOKPJGCQCR-UHFFFAOYSA-N 0 3 406.486 3.051 50 0 HGAAHN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CCN([C@@H]2CCSC2)CC1 ZINC000252550537 569294123 /nfs/dbraw/zinc/29/41/23/569294123.db2.gz SQSSCLUVOQEHNC-QGZVFWFLSA-N 0 3 422.538 3.342 50 0 HGAAHN CCN(CC)CCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 ZINC000002289804 569365100 /nfs/dbraw/zinc/36/51/00/569365100.db2.gz PJOGXJQQEPCXNN-UHFFFAOYSA-N 0 3 423.542 3.341 50 0 HGAAHN Cc1cc(C)n(Cc2ccc(C(=O)N3CC[C@@H](OCCN4CCCCC4)C3)cc2)n1 ZINC000079106000 569427755 /nfs/dbraw/zinc/42/77/55/569427755.db2.gz YJVDDTNHBJQETO-HSZRJFAPSA-N 0 3 410.562 3.265 50 0 HGAAHN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N(C)C1CCN(C)CC1)OC(C)(C)CC3 ZINC000008879182 571131153 /nfs/dbraw/zinc/13/11/53/571131153.db2.gz AUYSUPQGZKXKRE-UHFFFAOYSA-N 0 3 412.530 3.300 50 0 biogenic HGAAHN COc1ccc([C@H]2CCCCCN2C[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000040051359 571145317 /nfs/dbraw/zinc/14/53/17/571145317.db2.gz DHLQMQQQQLGETD-PGRDOPGGSA-N 0 3 408.498 3.269 50 0 HGAAHN O=C(Cc1cccc2cccnc21)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000040087048 571157575 /nfs/dbraw/zinc/15/75/75/571157575.db2.gz GVPPRIGROHLRCI-UHFFFAOYSA-N 0 3 402.542 3.101 50 0 HGAAHN CN(C)C[C@H](CNC(=O)Nc1cccc(N2CCCCC2=O)c1)[C@@H](O)c1ccccc1 ZINC000040104957 571165757 /nfs/dbraw/zinc/16/57/57/571165757.db2.gz GWZYOBTUZIUZIP-CVDCTZTESA-N 0 3 424.545 3.236 50 0 HGAAHN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](C(C)C)N[C@]23c2cc(C)ccc2NC3=O)c1 ZINC000009042710 571215200 /nfs/dbraw/zinc/21/52/00/571215200.db2.gz GDXJQZFJTRLPIA-RGZWJVDOSA-N 0 3 423.513 3.432 50 0 HGAAHN Cc1c(C(=O)N2CCCC2)nnn1-c1cccc2c1CCN(Cc1ccccc1)C2 ZINC000069893853 571248582 /nfs/dbraw/zinc/24/85/82/571248582.db2.gz DNNUAARRLKGXES-UHFFFAOYSA-N 0 3 401.514 3.370 50 0 HGAAHN CN(CCCNC(=O)c1ccc2c(c1)N(C)C(=O)[C@H]1CCCCN21)Cc1ccccc1 ZINC000009528819 132340627 /nfs/dbraw/zinc/34/06/27/132340627.db2.gz RBUMMOVOJSWFBL-JOCHJYFZSA-N 0 3 420.557 3.274 50 0 HGAAHN CCN1CCN(c2ccc(NC(=O)COc3ccc(C(C)=O)cc3OC)cc2)CC1 ZINC000011944341 132352467 /nfs/dbraw/zinc/35/24/67/132352467.db2.gz AVZYMGKPTAYDSH-UHFFFAOYSA-N 0 3 411.502 3.057 50 0 HGAAHN CC1CCN([C@@H](CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)c2cccs2)CC1 ZINC000029754322 132496281 /nfs/dbraw/zinc/49/62/81/132496281.db2.gz FZIWYLRRDCLRKB-MOPGFXCFSA-N 0 3 413.591 3.344 50 0 HGAAHN CCCSc1nn(CCCN(C)C)c2nc3sc4c(c3c(=O)n12)CCCC4 ZINC000040284141 520569996 /nfs/dbraw/zinc/56/99/96/520569996.db2.gz XKINUNDJXDVNPF-UHFFFAOYSA-N 0 3 405.593 3.438 50 0 HGAAHN CCOC(=O)N1CCN([C@@H]2CCCN(CC3=Cc4cc(Cl)ccc4OC3)C2)CC1 ZINC000020540299 520959889 /nfs/dbraw/zinc/95/98/89/520959889.db2.gz WITDILJSJTVVLI-HXUWFJFHSA-N 0 3 419.953 3.354 50 0 HGAAHN CN(C)CCN(CCc1ccccc1)C(=O)CCNC(=O)c1ccc(Cl)cc1 ZINC000032931705 521748293 /nfs/dbraw/zinc/74/82/93/521748293.db2.gz BUQAPDYRYMOVCB-UHFFFAOYSA-N 0 3 401.938 3.093 50 0 HGAAHN Cc1cc(C)cc(OC[C@@H](O)CN2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 ZINC000045822013 524449911 /nfs/dbraw/zinc/44/99/11/524449911.db2.gz RPHPMMQMCWUPMM-NRFANRHFSA-N 0 3 400.494 3.077 50 0 HGAAHN COc1cccc(CN2CCC[C@@H](NCc3ccc(Sc4nncn4C)o3)C2)c1 ZINC000020599931 525938127 /nfs/dbraw/zinc/93/81/27/525938127.db2.gz CAJBHNQDWFOTCO-QGZVFWFLSA-N 0 3 413.547 3.322 50 0 HGAAHN COc1c(C)cc([C@@H]2CCc3nc(C(=O)NCCN4CCCCC4)cn3C2)cc1C ZINC000034899233 557480730 /nfs/dbraw/zinc/48/07/30/557480730.db2.gz UJDNOGIBFXNLKS-LJQANCHMSA-N 0 3 410.562 3.454 50 0 HGAAHN CN(C(=O)CC[C@H]1CCCN(Cc2nc3ccccc3n2C)C1)C1CCN(C)CC1 ZINC000011663658 558267271 /nfs/dbraw/zinc/26/72/71/558267271.db2.gz KMNOZNATIIRNRB-LJQANCHMSA-N 0 3 411.594 3.118 50 0 HGAAHN CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CNCCc1cscn1 ZINC000019787214 558281611 /nfs/dbraw/zinc/28/16/11/558281611.db2.gz AXAISPAUTTUWGD-UHFFFAOYSA-N 0 3 405.527 3.395 50 0 HGAAHN CCOC(=O)[C@@]1(CCOC)CCCN(Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000011820122 558283295 /nfs/dbraw/zinc/28/32/95/558283295.db2.gz RDKCCYUWUVEIKL-JOCHJYFZSA-N 0 3 401.507 3.267 50 0 HGAAHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(C(C)=O)cc1 ZINC000019819030 558289129 /nfs/dbraw/zinc/28/91/29/558289129.db2.gz AUGJUXPWYDSVRN-IBGZPJMESA-N 0 3 406.438 3.328 50 0 HGAAHN CN(C(=O)CC[C@H]1CCCN(C(=O)Cc2ccccc2Cl)C1)C1CCN(C)CC1 ZINC000011878315 558292768 /nfs/dbraw/zinc/29/27/68/558292768.db2.gz GXMLOFYFWYEXOJ-GOSISDBHSA-N 0 3 419.997 3.454 50 0 HGAAHN COc1cc(CNCCN2CCOCC2)ccc1OCc1ccc(F)cc1Cl ZINC000019872258 558299659 /nfs/dbraw/zinc/29/96/59/558299659.db2.gz KPBPPCIACHDPCH-UHFFFAOYSA-N 0 3 408.901 3.489 50 0 HGAAHN COCCNC(=O)c1cccc(OC2CCN([C@@H](C)COc3ccccc3)CC2)c1 ZINC000012050657 558313792 /nfs/dbraw/zinc/31/37/92/558313792.db2.gz ZNXSZVFPCBIELQ-IBGZPJMESA-N 0 3 412.530 3.374 50 0 HGAAHN Cc1ccc(C(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)cc1N1CCNC1=O ZINC000012050358 558313826 /nfs/dbraw/zinc/31/38/26/558313826.db2.gz VCBRDUDKKNSQMY-JOCHJYFZSA-N 0 3 420.557 3.304 50 0 HGAAHN CC1(C)C[C@H](N2C(=O)CC[C@@H]2CCNCc2cc3c(cc2Cl)OCO3)CCO1 ZINC000012052125 558314283 /nfs/dbraw/zinc/31/42/83/558314283.db2.gz SFIHXFZBAUZLMB-HZPDHXFCSA-N 0 3 408.926 3.497 50 0 HGAAHN CC1(C)C[C@H](N2C(=O)CC[C@H]2CCNCc2cc3c(cc2Cl)OCO3)CCO1 ZINC000012052130 558314618 /nfs/dbraw/zinc/31/46/18/558314618.db2.gz SFIHXFZBAUZLMB-JKSUJKDBSA-N 0 3 408.926 3.497 50 0 HGAAHN COc1ccc(CN2CCC3(CC[C@H](CNC(=O)C(C)C)O3)CC2)c(OC)c1C ZINC000012190378 558347448 /nfs/dbraw/zinc/34/74/48/558347448.db2.gz FYVMQVRIQZGDQP-LJQANCHMSA-N 0 3 404.551 3.298 50 0 HGAAHN O=C(NC[C@H]1CCC2(CCN(Cc3cc4ccccc4[nH]c3=O)CC2)O1)c1ccco1 ZINC000012200231 558351048 /nfs/dbraw/zinc/35/10/48/558351048.db2.gz ZLOIREJYOHGBGO-LJQANCHMSA-N 0 3 421.497 3.065 50 0 HGAAHN Cc1ccc(-n2cc(CN3CCN(CCC(N)=O)CC3)c(-c3cccc(C)c3)n2)cc1 ZINC000020255105 558351896 /nfs/dbraw/zinc/35/18/96/558351896.db2.gz CONRJFQPTVTQNB-UHFFFAOYSA-N 0 3 417.557 3.149 50 0 HGAAHN CC(C)CCn1c(CN2CCC(N3CCCC3)CC2)cnc1S(=O)(=O)C(C)C ZINC000020455238 558368845 /nfs/dbraw/zinc/36/88/45/558368845.db2.gz RJUIZJUOOHLUOW-UHFFFAOYSA-N 0 3 410.628 3.172 50 0 HGAAHN Cn1cc(CNCCSc2nnnn2C)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012430796 558405519 /nfs/dbraw/zinc/40/55/19/558405519.db2.gz ZKDMCXHNVZJPPD-UHFFFAOYSA-N 0 3 421.530 3.285 50 0 HGAAHN C[C@@H]1CN(C(=O)c2nc3sccn3c2CNCCCc2ccccc2)C[C@H](C)O1 ZINC000012432491 558406738 /nfs/dbraw/zinc/40/67/38/558406738.db2.gz BDEYBYVDWWDABU-CALCHBBNSA-N 0 3 412.559 3.368 50 0 HGAAHN Cc1ccc(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)c(C)c1 ZINC000020781146 558412742 /nfs/dbraw/zinc/41/27/42/558412742.db2.gz NLFUIPXCIHJCQI-UHFFFAOYSA-N 0 3 407.493 3.022 50 0 HGAAHN CN(C(=O)CCN1Cc2ccccc2C1=O)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000012596551 558437957 /nfs/dbraw/zinc/43/79/57/558437957.db2.gz PWCFBMZKSNMTAQ-JOCHJYFZSA-N 0 3 405.542 3.198 50 0 HGAAHN Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N(C)C)cc1 ZINC000021807543 558450742 /nfs/dbraw/zinc/45/07/42/558450742.db2.gz RBZJLJGCAVNTJA-IBGZPJMESA-N 0 3 407.470 3.454 50 0 HGAAHN CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)CCN2C(C)=O)c1cccc(OC)c1 ZINC000022700854 558505536 /nfs/dbraw/zinc/50/55/36/558505536.db2.gz RSMZFTJNUHIIIV-QHCPKHFHSA-N 0 3 409.530 3.417 50 0 HGAAHN COc1cccc2ccc(CN3CCN(CCc4ccccc4)[C@@H](CCO)C3)nc21 ZINC000023373286 558553608 /nfs/dbraw/zinc/55/36/08/558553608.db2.gz WUINPJBDPAYTCV-QHCPKHFHSA-N 0 3 405.542 3.355 50 0 HGAAHN Cc1ccccc1NC(=O)CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382167 558555567 /nfs/dbraw/zinc/55/55/67/558555567.db2.gz MQOUATBBLQJXPC-JXFKEZNVSA-N 0 3 404.470 3.440 50 0 HGAAHN CCN1CCC2(CC1)OCCN2C(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000013730095 558586120 /nfs/dbraw/zinc/58/61/20/558586120.db2.gz GTUGITYQUQSYPW-UHFFFAOYSA-N 0 3 420.307 3.389 50 0 HGAAHN COc1ccc([C@@H](CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)N(C)C)cc1 ZINC000014201488 558636776 /nfs/dbraw/zinc/63/67/76/558636776.db2.gz UBFIMBZCQKENJE-HSZRJFAPSA-N 0 3 406.530 3.459 50 0 HGAAHN CC(C)[C@@H](CNC(=O)COc1ccc2c(c1)CCC(=O)N2)N1CCc2ccccc2C1 ZINC000025919240 558652349 /nfs/dbraw/zinc/65/23/49/558652349.db2.gz XIQBCAATYUFTMC-HSZRJFAPSA-N 0 3 421.541 3.149 50 0 HGAAHN C[C@@H](Oc1ccccc1)C(=O)NC[C@H]1CCC2(CCN(Cc3ccncc3)CC2)O1 ZINC000014883625 558676983 /nfs/dbraw/zinc/67/69/83/558676983.db2.gz PYJZJMHPBPNGNU-DENIHFKCSA-N 0 3 409.530 3.179 50 0 HGAAHN CC(C)c1c(C(=O)N2CC[C@@H](N(C)C)C2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000014959839 558683585 /nfs/dbraw/zinc/68/35/85/558683585.db2.gz GXNWQVVOACIULY-MRXNPFEDSA-N 0 3 422.508 3.368 50 0 HGAAHN CCCn1c2ccccc2n(CC(=O)NC2CCN(CCc3ccccc3)CC2)c1=O ZINC000027931918 558684811 /nfs/dbraw/zinc/68/48/11/558684811.db2.gz CWPATIFJJFHBCY-UHFFFAOYSA-N 0 3 420.557 3.036 50 0 HGAAHN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)[C@H]2CCCCCN2C)CC1 ZINC000014971123 558687242 /nfs/dbraw/zinc/68/72/42/558687242.db2.gz APANZZFAZYPOBH-OAQYLSRUSA-N 0 3 416.562 3.284 50 0 HGAAHN O=C(CC[C@@]1(Cc2ccco2)CCC(=O)N1)NC1CCN(Cc2ccccc2)CC1 ZINC000014986984 558693154 /nfs/dbraw/zinc/69/31/54/558693154.db2.gz MDBZSTXKRGJWMB-DEOSSOPVSA-N 0 3 409.530 3.032 50 0 HGAAHN Cc1cc(C(=O)NCc2nnc3n2CCN(CC[C@H](C)c2ccccc2)CC3)c(C)o1 ZINC000014996571 558696236 /nfs/dbraw/zinc/69/62/36/558696236.db2.gz YPZMMPVIDCURJA-KRWDZBQOSA-N 0 3 421.545 3.470 50 0 HGAAHN COc1cc(C[C@H]2CC(CNCCc3cccs3)=NO2)c(OC)c2c1OCO2 ZINC000015085837 558720311 /nfs/dbraw/zinc/72/03/11/558720311.db2.gz OSCOFMREDIAOKV-HNNXBMFYSA-N 0 3 404.488 3.014 50 0 HGAAHN CC(C)Cn1cnc(S(=O)(=O)[N-]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000072307531 558767560 /nfs/dbraw/zinc/76/75/60/558767560.db2.gz FOYDUBNRNJKUTJ-UHFFFAOYSA-N 0 3 404.580 3.250 50 0 HGAAHN CN(C)[C@@H](CNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccccc1 ZINC000016229425 558780136 /nfs/dbraw/zinc/78/01/36/558780136.db2.gz RWJILXURNBFVJT-SFHVURJKSA-N 0 3 424.570 3.146 50 0 HGAAHN COCCCNC(=O)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000004586063 558781481 /nfs/dbraw/zinc/78/14/81/558781481.db2.gz XJLSCCBQLWSXJU-UHFFFAOYSA-N 0 3 421.545 3.028 50 0 HGAAHN O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCN(Cc2ccccc2)CC1 ZINC000016607366 558796593 /nfs/dbraw/zinc/79/65/93/558796593.db2.gz UFOURFNQNOFESL-UHFFFAOYSA-N 0 3 407.514 3.010 50 0 HGAAHN C[C@@H]1CCCCN1CCNC(=O)CCCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000032995314 558809707 /nfs/dbraw/zinc/80/97/07/558809707.db2.gz URDTWCJCPQVZPL-MRXNPFEDSA-N 0 3 415.563 3.104 50 0 HGAAHN COc1ccc2c(c1)C=C(CN1CCN(CCCc3ccccc3)[C@H](CCO)C1)CO2 ZINC000039460890 558821481 /nfs/dbraw/zinc/82/14/81/558821481.db2.gz VMVGWGCBOBCOLS-XMMPIXPASA-N 0 3 422.569 3.472 50 0 HGAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Cn1nnc(-c2ccccc2Cl)n1 ZINC000004594307 558832034 /nfs/dbraw/zinc/83/20/34/558832034.db2.gz SSDCVOWMGCLSRS-XLIONFOSSA-N 0 3 422.920 3.136 50 0 HGAAHN COC(=O)c1ccc(CN2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)cc1 ZINC000019229305 558853497 /nfs/dbraw/zinc/85/34/97/558853497.db2.gz VKPJUOMFHQUOIV-QFIPXVFZSA-N 0 3 423.557 3.268 50 0 HGAAHN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCCN3CCCCC3)C2)s1 ZINC000033078446 558867914 /nfs/dbraw/zinc/86/79/14/558867914.db2.gz PUWOSWFBMUBDGU-INIZCTEOSA-N 0 3 401.580 3.072 50 0 HGAAHN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCCN3CCCCCC3)C2)s1 ZINC000033078421 558867953 /nfs/dbraw/zinc/86/79/53/558867953.db2.gz YQLGSSCPUFOVQY-QGZVFWFLSA-N 0 3 415.607 3.462 50 0 HGAAHN Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)[C@@]21N=C(Nc2ccccc2)NC(=N)N1 ZINC000019326871 558868000 /nfs/dbraw/zinc/86/80/00/558868000.db2.gz GJBCCQHRICACIC-FATZIPQQSA-N 0 3 402.502 3.166 50 0 HGAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000057997476 558893798 /nfs/dbraw/zinc/89/37/98/558893798.db2.gz LUOXQBIVETZRHH-IBGZPJMESA-N 0 3 423.542 3.312 50 0 HGAAHN C[C@@H]1CCCN1Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21 ZINC000071712024 558907222 /nfs/dbraw/zinc/90/72/22/558907222.db2.gz OFBQXGIJXWATCH-LJQANCHMSA-N 0 3 409.578 3.409 50 0 HGAAHN CN1CCC[C@H](NC(=O)NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)C1 ZINC000058268286 558915767 /nfs/dbraw/zinc/91/57/67/558915767.db2.gz ZWUITWIVFYVLLD-QFIPXVFZSA-N 0 3 420.557 3.369 50 0 HGAAHN Cc1noc(C)c1CSCC(=O)N(C)C1CCN(CCc2ccncc2)CC1 ZINC000058367555 558922464 /nfs/dbraw/zinc/92/24/64/558922464.db2.gz CRXXBGDCBMLDIK-UHFFFAOYSA-N 0 3 402.564 3.085 50 0 HGAAHN O=C(NCCCN1CCc2ccccc2C1)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000058420991 558925788 /nfs/dbraw/zinc/92/57/88/558925788.db2.gz AJCXIVMPVNOVMF-LJQANCHMSA-N 0 3 410.537 3.400 50 0 HGAAHN CCN1CCN(CCNC(=O)c2sc3ncccc3c2-n2c(C)ccc2C)CC1 ZINC000033059975 558954203 /nfs/dbraw/zinc/95/42/03/558954203.db2.gz DIPWDKNDAILTMD-UHFFFAOYSA-N 0 3 411.575 3.071 50 0 HGAAHN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NCCN(C)C)c1 ZINC000064816945 558966260 /nfs/dbraw/zinc/96/62/60/558966260.db2.gz ALEMRKGXOMIKNI-UHFFFAOYSA-N 0 3 413.547 3.134 50 0 HGAAHN CCOc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1F ZINC000023127658 559016020 /nfs/dbraw/zinc/01/60/20/559016020.db2.gz NXMQEIAORLGSKR-UHFFFAOYSA-N 0 3 406.523 3.415 50 0 HGAAHN COc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)c(F)c1 ZINC000082097416 559037501 /nfs/dbraw/zinc/03/75/01/559037501.db2.gz PNGUXZGKWLUHEG-JOCHJYFZSA-N 0 3 400.498 3.005 50 0 HGAAHN COc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)c(F)c1 ZINC000082097416 559037503 /nfs/dbraw/zinc/03/75/03/559037503.db2.gz PNGUXZGKWLUHEG-JOCHJYFZSA-N 0 3 400.498 3.005 50 0 HGAAHN CN(C)[C@H](CNC(=O)c1ccc(Cn2nnc3ccccc32)cc1)Cc1ccccc1 ZINC000011603652 559113208 /nfs/dbraw/zinc/11/32/08/559113208.db2.gz RRBTVUPDKDIOOS-QFIPXVFZSA-N 0 3 413.525 3.382 50 0 HGAAHN C[C@H]1CCCCN1CCNC(=O)c1cccn2c(=O)c3c(nc12)sc1c3CCCC1 ZINC000004971770 559220889 /nfs/dbraw/zinc/22/08/89/559220889.db2.gz LGBHFEWGYZPGRO-HNNXBMFYSA-N 0 3 424.570 3.392 50 0 HGAAHN O=C(Nc1ccccc1OCCN1CCCCC1)[C@H]1CCCN(c2ncccn2)C1 ZINC000409413824 559250745 /nfs/dbraw/zinc/25/07/45/559250745.db2.gz FBAUDGPCYMYVOX-IBGZPJMESA-N 0 3 409.534 3.196 50 0 HGAAHN Brc1cc(CNCc2ccccc2CN2CCOCC2)cc2c1OCO2 ZINC000017318169 560708796 /nfs/dbraw/zinc/70/87/96/560708796.db2.gz ZHELQCFLLIIQPC-UHFFFAOYSA-N 0 3 419.319 3.300 50 0 HGAAHN COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@H](C)C2)cc1Br ZINC000010544044 560770406 /nfs/dbraw/zinc/77/04/06/560770406.db2.gz LTJBWQVGFSIDCC-OKILXGFUSA-N 0 3 419.385 3.104 50 0 HGAAHN O=C(CN1CCC[C@H]1CN1CCC[C@H]1CO)Nc1ccc(Cl)cc1C(F)(F)F ZINC000106924555 560894375 /nfs/dbraw/zinc/89/43/75/560894375.db2.gz XTVBQGINVZTBSJ-GJZGRUSLSA-N 0 3 419.875 3.218 50 0 HGAAHN CN(C)CCNC(=O)c1cccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000046079987 568427978 /nfs/dbraw/zinc/42/79/78/568427978.db2.gz IGJHKTFUAILGKX-UHFFFAOYSA-N 0 3 414.937 3.464 50 0 HGAAHN CN1CCCN(c2ccc(CNC(=O)c3csc(-c4cccs4)n3)cn2)CC1 ZINC000048234136 568432493 /nfs/dbraw/zinc/43/24/93/568432493.db2.gz JRVNNEINCZODMO-UHFFFAOYSA-N 0 3 413.572 3.339 50 0 HGAAHN COc1cc(C(C)=O)ccc1OCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000225326977 568629805 /nfs/dbraw/zinc/62/98/05/568629805.db2.gz WJPHAQKMPWMYMB-LAUBAEHRSA-N 0 3 410.514 3.303 50 0 HGAAHN CN(CC(=O)Nc1ccccc1Cl)C(=O)CN[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000095941231 568661972 /nfs/dbraw/zinc/66/19/72/568661972.db2.gz SSZRIIYEEQRPCW-GXTWGEPZSA-N 0 3 405.848 3.448 50 0 HGAAHN CN(CC(=O)Nc1ccccc1Cl)C(=O)CN[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000095941233 568661980 /nfs/dbraw/zinc/66/19/80/568661980.db2.gz SSZRIIYEEQRPCW-TZMCWYRMSA-N 0 3 405.848 3.448 50 0 HGAAHN O=C(NCCN1CCCCC1)[C@H]1CCc2sc(C(=O)N3CCCCC3)cc2C1 ZINC000096398385 568747190 /nfs/dbraw/zinc/74/71/90/568747190.db2.gz QMQAYRPHIKEUDM-KRWDZBQOSA-N 0 3 403.592 3.081 50 0 HGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)[C@H]1CCCCN21 ZINC000021938246 568762876 /nfs/dbraw/zinc/76/28/76/568762876.db2.gz LJOSADWNJDCBPI-HSZRJFAPSA-N 0 3 418.541 3.392 50 0 HGAAHN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000003290522 568873641 /nfs/dbraw/zinc/87/36/41/568873641.db2.gz JTVNYAMWDNPQQZ-AZUAARDMSA-N 0 3 403.473 3.138 50 0 HGAAHN Cc1cccc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)c1 ZINC000299767176 568873925 /nfs/dbraw/zinc/87/39/25/568873925.db2.gz GXGMKYXIQQRVCS-QHCPKHFHSA-N 0 3 412.505 3.405 50 0 HGAAHN COc1cc(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)ccc1OC(C)C ZINC000058115472 568887934 /nfs/dbraw/zinc/88/79/34/568887934.db2.gz SEENIZLRWGXWIU-UHFFFAOYSA-N 0 3 413.474 3.204 50 0 HGAAHN CCN(CC)[C@@H](CNC(=O)CCNC(=O)c1ccsc1)c1cccc(OC)c1 ZINC000012751282 568940733 /nfs/dbraw/zinc/94/07/33/568940733.db2.gz KWMUWGXWPMYYHO-IBGZPJMESA-N 0 3 403.548 3.076 50 0 HGAAHN Cc1c(O)ccc2c(CN3CCC(C(=O)NCc4ccccc4)CC3)cc(=O)oc12 ZINC000015543597 568947673 /nfs/dbraw/zinc/94/76/73/568947673.db2.gz MNFYFBAFTIEIML-UHFFFAOYSA-N 0 3 406.482 3.335 50 0 HGAAHN Cc1cc2c(cc1S(=O)(=O)NCCCN1CCC(C)CC1)[nH]c1c2C(=O)CCC1 ZINC000015733810 568983333 /nfs/dbraw/zinc/98/33/33/568983333.db2.gz FQEXCXFPSUNGFM-UHFFFAOYSA-N 0 3 417.575 3.396 50 0 HGAAHN COc1ccc2c(c1)C[C@H](C(=O)NCCN1CCC(Cc3ccccc3)CC1)CO2 ZINC000015786279 569007334 /nfs/dbraw/zinc/00/73/34/569007334.db2.gz QJBYOMPHUPGNNH-QFIPXVFZSA-N 0 3 408.542 3.317 50 0 HGAAHN Cc1cccc(-c2cnc(N3CCC(C(=O)NCCN4CCCCC4)CC3)nc2)c1 ZINC000035455211 569037854 /nfs/dbraw/zinc/03/78/54/569037854.db2.gz LQDFUKDZPLOJSU-UHFFFAOYSA-N 0 3 407.562 3.271 50 0 HGAAHN O=C(Nc1ccccc1OC(F)F)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000229849842 569040794 /nfs/dbraw/zinc/04/07/94/569040794.db2.gz RFSJONJVHKYTDY-IAGOWNOFSA-N 0 3 405.445 3.293 50 0 HGAAHN CN(C)[C@H](CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 ZINC000016599003 569060448 /nfs/dbraw/zinc/06/04/48/569060448.db2.gz HIWFJRKLLVHKOM-QGZVFWFLSA-N 0 3 424.570 3.215 50 0 HGAAHN COc1ccc(CCNCC(=O)Nc2c3c(nc4ccccc42)N(C)CC3)cc1OC ZINC000002129512 569060493 /nfs/dbraw/zinc/06/04/93/569060493.db2.gz GSXIMDBYUXTGNM-UHFFFAOYSA-N 0 3 420.513 3.015 50 0 biogenic HGAAHN Cc1cc(=O)oc2cc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)ccc12 ZINC000006659844 569084003 /nfs/dbraw/zinc/08/40/03/569084003.db2.gz JVASHISITAJAHB-UHFFFAOYSA-N 0 3 406.482 3.261 50 0 biogenic HGAAHN COc1ccc(CN(C[C@@H](O)COCc2ccccc2)C[C@@H]2CCCO2)cc1OC ZINC000169679476 569126749 /nfs/dbraw/zinc/12/67/49/569126749.db2.gz ATUKVMYQOHLSII-YADHBBJMSA-N 0 3 415.530 3.263 50 0 HGAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCc4ccc(C)o4)c(C)c32)CC1 ZINC000064957336 569134619 /nfs/dbraw/zinc/13/46/19/569134619.db2.gz SBQRBTYCGQSOJI-UHFFFAOYSA-N 0 3 413.547 3.363 50 0 HGAAHN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NCc1ccccc1CN(C)C ZINC000006882023 569168184 /nfs/dbraw/zinc/16/81/84/569168184.db2.gz CIBUWTWXHXCEIA-NRFANRHFSA-N 0 3 413.587 3.225 50 0 HGAAHN O=C(NCc1cc(F)cc(F)c1)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065256382 569208433 /nfs/dbraw/zinc/20/84/33/569208433.db2.gz DGYRGFHKIWZELR-NRFANRHFSA-N 0 3 408.452 3.441 50 0 HGAAHN CN(C)CCNC(=O)C1CCN(c2nc3ccc(-c4cccs4)nc3s2)CC1 ZINC000065272212 569215707 /nfs/dbraw/zinc/21/57/07/569215707.db2.gz QTDLOQPDSHLRFQ-UHFFFAOYSA-N 0 3 415.588 3.314 50 0 HGAAHN N=C1NC(SCC(=O)Nc2cccc(Cl)c2)=N[C@H](c2c[nH]c3ccccc32)N1 ZINC000013579218 569256508 /nfs/dbraw/zinc/25/65/08/569256508.db2.gz NLZRGGFTFMXGJE-QGZVFWFLSA-N 0 3 412.906 3.466 50 0 HGAAHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000089937329 569269136 /nfs/dbraw/zinc/26/91/36/569269136.db2.gz XBHQIULKOZHLCJ-CVDCTZTESA-N 0 3 421.541 3.219 50 0 HGAAHN COc1ccc([C@H](CNCc2c(C)nc3sc(C)cn23)N2CCOCC2)cc1 ZINC000237353219 569281832 /nfs/dbraw/zinc/28/18/32/569281832.db2.gz KRJXQUHROWXNCV-FQEVSTJZSA-N 0 3 400.548 3.184 50 0 HGAAHN CC(C)N1CCN([C@H]2CCOC3(CCN(C(=O)NC4CCCCC4)CC3)C2)CC1 ZINC000581819828 569320901 /nfs/dbraw/zinc/32/09/01/569320901.db2.gz NFYRNQOTKMGPPE-NRFANRHFSA-N 0 3 406.615 3.068 50 0 HGAAHN CCCc1nc2c3cc4c(nc3sc2c(=O)n1CCN(C)C)CC(C)(C)OC4 ZINC000002418263 569397633 /nfs/dbraw/zinc/39/76/33/569397633.db2.gz LJFIYBOGEPNKBE-UHFFFAOYSA-N 0 3 400.548 3.372 50 0 HGAAHN CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccccc1)CC2 ZINC000014542140 569402814 /nfs/dbraw/zinc/40/28/14/569402814.db2.gz IQFNVMUMVPHNSL-UHFFFAOYSA-N 0 3 403.526 3.473 50 0 HGAAHN C[C@H]1C[C@@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)CCN1Cc1ccccc1 ZINC000079025247 569424726 /nfs/dbraw/zinc/42/47/26/569424726.db2.gz NORMPTKZHRTKHA-ICSRJNTNSA-N 0 3 406.530 3.101 50 0 HGAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000008748398 571111655 /nfs/dbraw/zinc/11/16/55/571111655.db2.gz DUTGNIFFJWTTDD-QFIPXVFZSA-N 0 3 411.509 3.484 50 0 HGAAHN O=C(CN1CCC(CCc2ccc(O)cc2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000040050462 571143978 /nfs/dbraw/zinc/14/39/78/571143978.db2.gz POKNJVITGNFJOY-DEOSSOPVSA-N 0 3 421.585 3.428 50 0 HGAAHN CCN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](C)c1cccc(OC)c1 ZINC000040122946 571178817 /nfs/dbraw/zinc/17/88/17/571178817.db2.gz IGDQLVGRQXJKLH-GOSISDBHSA-N 0 3 418.559 3.299 50 0 HGAAHN Cc1cccc(CN2CCC(NC(=O)CCCn3nnc(-c4ccccc4)n3)CC2)c1 ZINC000070037232 571254736 /nfs/dbraw/zinc/25/47/36/571254736.db2.gz XIDBBGSSFUFWID-UHFFFAOYSA-N 0 3 418.545 3.210 50 0 HGAAHN Cc1oc2c(c1C(=O)NCC1CCN(Cc3ccc(C)cc3)CC1)C1=NCCN1C=N2 ZINC000100696542 571317789 /nfs/dbraw/zinc/31/77/89/571317789.db2.gz RTZIILMWUSWSGO-UHFFFAOYSA-N 0 3 419.529 3.274 50 0 HGAAHN