smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCNC(=O)CN1c2ccccc2N(C(=O)NCc2ccccc2)CC1=O ZINC000009588353 132341331 /nfs/dbraw/zinc/34/13/31/132341331.db2.gz QIRUJBOZZAFZHR-UHFFFAOYSA-N 0 3 409.490 1.427 50 0 HDAAHN CCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C[C@@H]2CCCN2CC)cc1 ZINC000045966772 520892398 /nfs/dbraw/zinc/89/23/98/520892398.db2.gz MMULUXNCMKFDLO-FQEVSTJZSA-N 0 3 416.566 1.834 50 0 HDAAHN CCN1CCC[C@@H]1CN(CC(=O)N1CCNCC1)S(=O)(=O)c1ccc(C)cc1C ZINC000045974504 521633503 /nfs/dbraw/zinc/63/35/03/521633503.db2.gz NUUVWUZQODAZTF-LJQANCHMSA-N 0 3 422.595 1.210 50 0 HDAAHN CCN1CCC[C@H]1CN(CC(=O)N1CCNCC1)S(=O)(=O)c1cc(C)ccc1C ZINC000045974502 521653480 /nfs/dbraw/zinc/65/34/80/521653480.db2.gz DZHSXBUURHGDIE-IBGZPJMESA-N 0 3 422.595 1.210 50 0 HDAAHN CN(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1 ZINC000001268915 557253328 /nfs/dbraw/zinc/25/33/28/557253328.db2.gz GXRMLSFBABTQSE-UHFFFAOYSA-N 0 3 421.299 1.620 50 0 HDAAHN COc1cc(CNCCN2CCOCC2)ccc1Oc1nnnn1-c1ccccc1 ZINC000019872514 558299832 /nfs/dbraw/zinc/29/98/32/558299832.db2.gz DZUUPZMDNZQMMM-UHFFFAOYSA-N 0 3 410.478 1.885 50 0 HDAAHN COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CN(C)Cc2nc(C)c[nH]2)c1 ZINC000020149065 558340079 /nfs/dbraw/zinc/34/00/79/558340079.db2.gz YQALIZOLSPXAGU-LJQANCHMSA-N 0 3 418.538 1.555 50 0 HDAAHN O=C(NC[C@H]1CCC2(CCN(Cc3cccc(OCCO)c3)CC2)O1)[C@@H]1CCCO1 ZINC000012182973 558343836 /nfs/dbraw/zinc/34/38/36/558343836.db2.gz LVPWTIMEPDYLOD-RTWAWAEBSA-N 0 3 418.534 1.867 50 0 HDAAHN CCN1CCN(C[C@@H](O)COc2cccc(CNCCn3nc(C)cc3C)c2)CC1 ZINC000020783804 558413542 /nfs/dbraw/zinc/41/35/42/558413542.db2.gz NQHPBQLKBHFGRF-JOCHJYFZSA-N 0 3 415.582 1.667 50 0 HDAAHN COCC(=O)N1CCC(Oc2ccc(C(=O)NC[C@@H]3CCCN(C)C3)cc2)CC1 ZINC000020863258 558417823 /nfs/dbraw/zinc/41/78/23/558417823.db2.gz DYVLHQFAZUZEES-KRWDZBQOSA-N 0 3 403.523 1.774 50 0 HDAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCn1cnnn1 ZINC000012709873 558451888 /nfs/dbraw/zinc/45/18/88/558451888.db2.gz GTWZSGLUITYHEI-LJQANCHMSA-N 0 3 400.527 1.875 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000013625309 558550964 /nfs/dbraw/zinc/55/09/64/558550964.db2.gz VRCLJQBGOBULPA-GHTZIAJQSA-N 0 3 420.513 1.991 50 0 HDAAHN COc1ccc([C@H](CNC(=O)c2cnc3n(c2=O)CCS3)N2CCCC2)cc1 ZINC000014254203 558651040 /nfs/dbraw/zinc/65/10/40/558651040.db2.gz TZLDMMBVZKRJRU-KRWDZBQOSA-N 0 3 400.504 1.925 50 0 HDAAHN COc1cccc(CN2CCC3(CC2)C(=O)N(CC(N)=O)C(=O)N3CCC(C)C)c1 ZINC000014542816 558660648 /nfs/dbraw/zinc/66/06/48/558660648.db2.gz GYKRSMITUVFWGE-UHFFFAOYSA-N 0 3 416.522 1.825 50 0 HDAAHN CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(C/C=C/c1ccccc1OC)CC2 ZINC000014731353 558665517 /nfs/dbraw/zinc/66/55/17/558665517.db2.gz LVLDHAYTIXPSIT-SOFGYWHQSA-N 0 3 400.479 1.312 50 0 HDAAHN CC(C)CN1C[C@H](OCc2ccccn2)CN(C(=O)C2CCN(C)CC2)CC1=O ZINC000014745583 558668967 /nfs/dbraw/zinc/66/89/67/558668967.db2.gz BTHCKUHCIKIFGZ-FQEVSTJZSA-N 0 3 402.539 1.635 50 0 HDAAHN Cn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@@H](NCc1ccccc1F)C2 ZINC000014751561 558670812 /nfs/dbraw/zinc/67/08/12/558670812.db2.gz SOLLFEDBVSAOCI-QGZVFWFLSA-N 0 3 415.513 1.268 50 0 HDAAHN COc1ccccc1CN[C@H]1C[C@H]2C(=O)N[C@@H](COCc3ccccc3)C(=O)N2C1 ZINC000014755452 558671714 /nfs/dbraw/zinc/67/17/14/558671714.db2.gz VBXZLIBUDPMSAF-UFYCRDLUSA-N 0 3 409.486 1.470 50 0 HDAAHN COc1cccc(CNCC2(O)CCCCC2)c1OC[C@@H](O)CN1CCOCC1 ZINC000015063555 558706154 /nfs/dbraw/zinc/70/61/54/558706154.db2.gz NCFFMAPQVMFNRF-IBGZPJMESA-N 0 3 408.539 1.552 50 0 HDAAHN COc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CCN2CCCC[C@@H]2C)cc1 ZINC000035422049 558791724 /nfs/dbraw/zinc/79/17/24/558791724.db2.gz AIGSOMFPTKTKBQ-IBGZPJMESA-N 0 3 416.566 1.834 50 0 HDAAHN Cc1ccnc(N2CCC(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)CC2)n1 ZINC000035454480 558792062 /nfs/dbraw/zinc/79/20/62/558792062.db2.gz LAGLNJDXDUYXRN-UHFFFAOYSA-N 0 3 414.554 1.334 50 0 HDAAHN Cc1cc(C)c(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)cc1C ZINC000038488312 558811571 /nfs/dbraw/zinc/81/15/71/558811571.db2.gz WVQPQBSLHHQNMT-UHFFFAOYSA-N 0 3 419.551 1.937 50 0 HDAAHN Cc1nnc(C(=O)Nc2ccc(C(=O)NCCCN3CCN(C)CC3)cc2)s1 ZINC000033011026 558830404 /nfs/dbraw/zinc/83/04/04/558830404.db2.gz GIAXYKGRZOTVLQ-UHFFFAOYSA-N 0 3 402.524 1.466 50 0 HDAAHN CN1CCCN(c2ccc(CNC(=O)Nc3ccc(-n4cncn4)nc3)cn2)CC1 ZINC000058145956 558901838 /nfs/dbraw/zinc/90/18/38/558901838.db2.gz VCJHMSKCXKPHGN-UHFFFAOYSA-N 0 3 407.482 1.521 50 0 HDAAHN O=C([C@H]1CCCN(C2CCN(S(=O)(=O)c3cccnc3)CC2)C1)N1CCCC1 ZINC000071746530 558908375 /nfs/dbraw/zinc/90/83/75/558908375.db2.gz HYLGUISYNLKTMI-KRWDZBQOSA-N 0 3 406.552 1.569 50 0 HDAAHN CCN1CCC[C@@H]1CN(CC(=O)N(C)C)C(=O)c1nn(CC)c(=O)c2ccccc21 ZINC000058223628 558913237 /nfs/dbraw/zinc/91/32/37/558913237.db2.gz ATMSMPATCNXWDQ-MRXNPFEDSA-N 0 3 413.522 1.431 50 0 HDAAHN Cc1cccc(-c2nnc3ccc(N4CCC(C(=O)NCCN(C)C)CC4)nn32)c1 ZINC000033260215 558926098 /nfs/dbraw/zinc/92/60/98/558926098.db2.gz YMJLGNMATSOUGF-UHFFFAOYSA-N 0 3 407.522 1.994 50 0 HDAAHN COCCN1CCN(Cc2ccc(OC)c(OC[C@@H](O)CN3CCCCC3)c2)CC1 ZINC000019608549 558946563 /nfs/dbraw/zinc/94/65/63/558946563.db2.gz IPZZZGWZCCWGFV-NRFANRHFSA-N 0 3 421.582 1.685 50 0 HDAAHN CCN1CCN(CCNC(=O)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)CC1 ZINC000033060170 558954365 /nfs/dbraw/zinc/95/43/65/558954365.db2.gz XIHKFGXESWUPNH-UHFFFAOYSA-N 0 3 418.523 1.166 50 0 HDAAHN CCN1CCN(CCN2CC3(CCN(C(=O)c4ccc(O)cc4)CC3)OC2=O)CC1 ZINC000072430652 558979397 /nfs/dbraw/zinc/97/93/97/558979397.db2.gz SEVAXEATNDVNCR-UHFFFAOYSA-N 0 3 416.522 1.457 50 0 HDAAHN C[C@@H](N)C(=O)N1CCc2ccc(S(=O)(=O)NCCOc3ccccc3)cc2C1 ZINC000077342514 559001940 /nfs/dbraw/zinc/00/19/40/559001940.db2.gz CEGGWADBCSTKJE-OAHLLOKOSA-N 0 3 403.504 1.276 50 0 HDAAHN CCN1CCN(CCN2CC3(CCN(C(=O)c4ccc(C)nc4)CC3)OC2=O)CC1 ZINC000077355322 559002240 /nfs/dbraw/zinc/00/22/40/559002240.db2.gz ZEKOZOKBQVAPQO-UHFFFAOYSA-N 0 3 415.538 1.455 50 0 HDAAHN COCCn1c(=O)[nH]c2cc(C(=O)NCCN3[C@H](C)CCC[C@@H]3C)ccc2c1=O ZINC000004791788 559065627 /nfs/dbraw/zinc/06/56/27/559065627.db2.gz YTQNMJFWDBQOMQ-GASCZTMLSA-N 0 3 402.495 1.329 50 0 HDAAHN CN1CCN([C@H]2CCN(C(=O)c3nc4ccccn4c3F)C[C@H]2CCCO)CC1 ZINC000095369180 559080185 /nfs/dbraw/zinc/08/01/85/559080185.db2.gz FKWOPOYHTOUXRY-SJORKVTESA-N 0 3 403.502 1.324 50 0 HDAAHN COCC(=O)N1CC[C@]2(O)CCN(Cc3[nH]c4ccc(OC)cc4c3C)C[C@@H]2C1 ZINC000095390058 559080886 /nfs/dbraw/zinc/08/08/86/559080886.db2.gz KTOCZKDIDFIZAO-OPAMFIHVSA-N 0 3 401.507 1.917 50 0 HDAAHN CCCOc1ccc(N2C(=O)C[C@@H](NCCCN3CCN(CC)CC3)C2=O)cc1 ZINC000095483231 559081307 /nfs/dbraw/zinc/08/13/07/559081307.db2.gz BFXDZCXFQCKRLC-HXUWFJFHSA-N 0 3 402.539 1.725 50 0 HDAAHN COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](N)C1CCCCC1)CC2 ZINC000095511547 559084103 /nfs/dbraw/zinc/08/41/03/559084103.db2.gz GXUGWWKRTSPOPC-SFHVURJKSA-N 0 3 403.527 1.166 50 0 HDAAHN O[C@H](COc1cccc(CN2CCC(c3ncon3)CC2)c1)CN1CCOCC1 ZINC000095517007 559084580 /nfs/dbraw/zinc/08/45/80/559084580.db2.gz HOGKCDDZEDEESY-IBGZPJMESA-N 0 3 402.495 1.521 50 0 HDAAHN CCN1CCN(C[C@@H](O)COc2cccc(CN3CCC4(CCO4)CC3)c2)CC1 ZINC000095519617 559084930 /nfs/dbraw/zinc/08/49/30/559084930.db2.gz WVVFJVRGIBQPPI-OAQYLSRUSA-N 0 3 403.567 1.819 50 0 HDAAHN CN1CCN(C[C@H](O)COc2ccc(CN3CCOC4(CCCC4)C3)cc2)CC1 ZINC000095531295 559087118 /nfs/dbraw/zinc/08/71/18/559087118.db2.gz SLQBYVLFFUHLGV-NRFANRHFSA-N 0 3 403.567 1.819 50 0 HDAAHN Cc1nc(CN2CCN(C(=O)c3cn(CCN4CCCCC4)nn3)CC2)cs1 ZINC000011839579 559261453 /nfs/dbraw/zinc/26/14/53/559261453.db2.gz NNNQGOXVNOPUSF-UHFFFAOYSA-N 0 3 403.556 1.487 50 0 HDAAHN COc1ccc(NC(=O)c2nnc(CCC(=O)NCCN3CCCC3)s2)cc1 ZINC000033061858 568510998 /nfs/dbraw/zinc/51/09/98/568510998.db2.gz RRVJIPOKRZGTCA-UHFFFAOYSA-N 0 3 403.508 1.944 50 0 HDAAHN Cn1c(=O)c2c(n(C)c1=O)NCN(CC1CCN(Cc3ccccc3F)CC1)C2 ZINC000020320191 568598866 /nfs/dbraw/zinc/59/88/66/568598866.db2.gz JUNXZNITBPRMSG-UHFFFAOYSA-N 0 3 401.486 1.320 50 0 HDAAHN CCN1CCN(CCNC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000020996372 568656991 /nfs/dbraw/zinc/65/69/91/568656991.db2.gz NWBHPUUUIMZWCE-MRXNPFEDSA-N 0 3 402.568 1.661 50 0 HDAAHN OCCN(CCO)C[C@@H](O)COc1ccc(Br)cc1Br ZINC000012420358 568720349 /nfs/dbraw/zinc/72/03/49/568720349.db2.gz FECCRTHMBZEZFO-LLVKDONJSA-N 0 3 413.106 1.238 50 0 HDAAHN CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(C)CC1 ZINC000025436190 568768949 /nfs/dbraw/zinc/76/89/49/568768949.db2.gz OBFBQSIBXVTULZ-UHFFFAOYSA-N 0 3 408.568 1.826 50 0 HDAAHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000055407053 568774379 /nfs/dbraw/zinc/77/43/79/568774379.db2.gz WCEHUMBHGZCJFN-DLBZAZTESA-N 0 3 408.568 1.719 50 0 HDAAHN COc1ccc(S(=O)(=O)NCCC(=O)NC2CCN(C3CC3)CC2)cc1OC ZINC000029092377 568819129 /nfs/dbraw/zinc/81/91/29/568819129.db2.gz GQCYIZOMORENQX-UHFFFAOYSA-N 0 3 411.524 1.115 50 0 HDAAHN CS(=O)(=O)N1CCN(C(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000057165427 568824750 /nfs/dbraw/zinc/82/47/50/568824750.db2.gz VIUXWRHPLWHYHM-UHFFFAOYSA-N 0 3 413.543 1.812 50 0 HDAAHN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)C[C@@H](C)O1 ZINC000003170997 568859484 /nfs/dbraw/zinc/85/94/84/568859484.db2.gz XDBPWDGWNAPYKQ-HZPDHXFCSA-N 0 3 409.552 1.651 50 0 HDAAHN Cc1ccccc1[C@@]1(CC(=O)N2CCN(C)[C@@H](C)C2)CC(=O)N(CCN(C)C)C1=O ZINC000299758740 568873148 /nfs/dbraw/zinc/87/31/48/568873148.db2.gz OYBPZDYXTUJALO-FDDCHVKYSA-N 0 3 414.550 1.106 50 0 HDAAHN O=C(NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1ccc(F)c(F)c1 ZINC000299778768 568874704 /nfs/dbraw/zinc/87/47/04/568874704.db2.gz QOVQKJABTNPBRT-QGZVFWFLSA-N 0 3 407.461 1.939 50 0 HDAAHN O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccccc1[O-] ZINC000299778816 568874829 /nfs/dbraw/zinc/87/48/29/568874829.db2.gz OOIKQUHRJYUJHT-GOSISDBHSA-N 0 3 401.507 1.471 50 0 HDAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccc2c(c1)OCC(=O)N2 ZINC000670448942 568921843 /nfs/dbraw/zinc/92/18/43/568921843.db2.gz QBRKEQJCRCTBCH-NZAVSEOKSA-N 0 3 418.497 1.315 50 0 HDAAHN COc1ccc(OC[C@H](O)CN(CCO)C[C@H](O)Cn2ccc3ccccc32)cc1 ZINC000004248029 568953468 /nfs/dbraw/zinc/95/34/68/568953468.db2.gz RDLCNKMHHWWUDK-VQTJNVASSA-N 0 3 414.502 1.745 50 0 HDAAHN CCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1 ZINC000004316543 568962377 /nfs/dbraw/zinc/96/23/77/568962377.db2.gz ACXFRZMKGWSJBT-UHFFFAOYSA-N 0 3 424.549 1.978 50 0 HDAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1cn(-c2ccccc2)nn1 ZINC000670467202 568973046 /nfs/dbraw/zinc/97/30/46/568973046.db2.gz LHAOJERQCWLALQ-NBTXJNEHSA-N 0 3 414.513 1.565 50 0 HDAAHN Cn1cnc2cc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)CN(C4)CC5)ccc21 ZINC000670470032 568984661 /nfs/dbraw/zinc/98/46/61/568984661.db2.gz HLNAMISISNMZRQ-NBTXJNEHSA-N 0 3 401.514 1.871 50 0 HDAAHN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CSC3=NCCN3)cc2)C1 ZINC000012821306 569005614 /nfs/dbraw/zinc/00/56/14/569005614.db2.gz YHZSBDKXBJBIJH-ZIAGYGMSSA-N 0 3 410.565 1.984 50 0 HDAAHN CCc1ccc(CN2CCc3c(C(=O)NC[C@H]4CNCCO4)csc3C2)nc1 ZINC000426445192 569073071 /nfs/dbraw/zinc/07/30/71/569073071.db2.gz YSQLOLCFCBSMMR-QGZVFWFLSA-N 0 3 400.548 1.982 50 0 HDAAHN C[C@@H]1CCCCN1CCNC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O ZINC000006798602 569126537 /nfs/dbraw/zinc/12/65/37/569126537.db2.gz VGBCORLKNCGADY-CQSZACIVSA-N 0 3 400.508 1.610 50 0 HDAAHN COC(=O)c1ccc([C@H](c2c(N)n(CC(C)C)c(=O)[nH]c2=O)N2CCCC2)cc1 ZINC000006880690 569167616 /nfs/dbraw/zinc/16/76/16/569167616.db2.gz PFCXWHDDZZRXJF-QGZVFWFLSA-N 0 3 400.479 1.747 50 0 HDAAHN COc1cccc(Cn2c3cc(C(=O)NCCN(C)C)ccc3n3nccc3c2=O)c1 ZINC000065270937 569213443 /nfs/dbraw/zinc/21/34/43/569213443.db2.gz CZBHMHDVCOHUAV-UHFFFAOYSA-N 0 3 419.485 1.998 50 0 HDAAHN COc1ccc(Cn2c3cc(C(=O)NCCN(C)C)ccc3n3nccc3c2=O)cc1 ZINC000065270988 569213566 /nfs/dbraw/zinc/21/35/66/569213566.db2.gz LZUISCZLGOTSDT-UHFFFAOYSA-N 0 3 419.485 1.998 50 0 HDAAHN O=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000089834874 569266725 /nfs/dbraw/zinc/26/67/25/569266725.db2.gz ZGLWIVNOBGHCMG-RBUKOAKNSA-N 0 3 406.486 1.396 50 0 HDAAHN CS[C@@H]1CN(S(=O)(=O)CCC(=O)OCc2ccccc2)C[C@H]1N1CCCC1 ZINC000253370554 569364682 /nfs/dbraw/zinc/36/46/82/569364682.db2.gz SKHGGXJYVIMRPW-QZTJIDSGSA-N 0 3 412.577 1.961 50 0 HDAAHN C/C=C/Cn1c(=O)c2c(nc3n2[C@@H](C)C(C)=NN3CCN2CCCCC2)n(C)c1=O ZINC000008706260 569390108 /nfs/dbraw/zinc/39/01/08/569390108.db2.gz QHJIMPXUBKMLHR-JFDDCEBESA-N 0 3 413.526 1.716 50 0 HDAAHN CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@@H]1c1ccc(F)c(F)c1 ZINC000067286121 571064514 /nfs/dbraw/zinc/06/45/14/571064514.db2.gz QHEJDAMIQQGUJP-GOSISDBHSA-N 0 3 408.449 1.773 50 0 HDAAHN O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000009385574 571254090 /nfs/dbraw/zinc/25/40/90/571254090.db2.gz FQSMHTCTNCFRCE-HXUWFJFHSA-N 0 3 420.513 1.934 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)Cn1nc(C)n2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000009727926 571282664 /nfs/dbraw/zinc/28/26/64/571282664.db2.gz VWTXLLUPKHDCNB-KRWDZBQOSA-N 0 3 424.505 1.476 50 0 HDAAHN COc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1S(=O)(=O)NC1CC1 ZINC000008122671 132327451 /nfs/dbraw/zinc/32/74/51/132327451.db2.gz OUPYKWZIMUKLSJ-UHFFFAOYSA-N 0 3 416.503 1.493 50 0 HDAAHN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C(C)S(=O)(=O)C[C@@H]1CCCO1 ZINC000032926811 520353365 /nfs/dbraw/zinc/35/33/65/520353365.db2.gz XBMISSOIRHMKPZ-OLZOCXBDSA-N 0 3 418.462 1.734 50 0 HDAAHN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCCN(C)C)CC2)c1C ZINC000045973881 521377109 /nfs/dbraw/zinc/37/71/09/521377109.db2.gz OTZFKMHMXJBKSZ-UHFFFAOYSA-N 0 3 406.527 1.728 50 0 HDAAHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1ccc(C)cc1 ZINC000009419403 535502181 /nfs/dbraw/zinc/50/21/81/535502181.db2.gz QKHUJAWVAXBQMN-VQTJNVASSA-N 0 3 421.501 1.918 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000004177132 557525159 /nfs/dbraw/zinc/52/51/59/557525159.db2.gz UCQRUUKDYOFXLL-QGZVFWFLSA-N 0 3 402.470 1.263 50 0 HDAAHN O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000004591404 557570293 /nfs/dbraw/zinc/57/02/93/557570293.db2.gz DJDKKUDJIHZURQ-UHFFFAOYSA-N 0 3 406.486 1.861 50 0 HDAAHN NS(=O)(=O)c1ccc(CCN[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000004679915 557580339 /nfs/dbraw/zinc/58/03/39/557580339.db2.gz PQMKEUWLXYVFCS-INIZCTEOSA-N 0 3 407.879 1.452 50 0 HDAAHN OCC(CO)(CO)NC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000005616498 557665468 /nfs/dbraw/zinc/66/54/68/557665468.db2.gz GETQKLUOZMYHGE-AWEZNQCLSA-N 0 3 413.301 1.768 50 0 HDAAHN COc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1ccc(F)cc1 ZINC000008471576 557791948 /nfs/dbraw/zinc/79/19/48/557791948.db2.gz QSZNCZANZOWAGG-UHFFFAOYSA-N 0 3 415.425 1.898 50 0 HDAAHN COc1cccc(CNCCc2cccnc2)c1OC[C@@H](O)CN1CCOCC1 ZINC000011821266 558284521 /nfs/dbraw/zinc/28/45/21/558284521.db2.gz ABHQXNWHOWEZGU-FQEVSTJZSA-N 0 3 401.507 1.494 50 0 HDAAHN CCOC(=O)C[C@H]1COCCN1C(=O)c1ccc(OC2CCN(C)CC2)c(OC)c1 ZINC000012027450 558310403 /nfs/dbraw/zinc/31/04/03/558310403.db2.gz JNHPQGJZRVPEMW-KRWDZBQOSA-N 0 3 420.506 1.962 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1 ZINC000012201444 558351477 /nfs/dbraw/zinc/35/14/77/558351477.db2.gz UXHSYZXZQRRUII-INIZCTEOSA-N 0 3 409.552 1.704 50 0 HDAAHN Cc1ccc(CN2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)s1 ZINC000020453342 558367470 /nfs/dbraw/zinc/36/74/70/558367470.db2.gz ZXMQXNQFFZQYHK-UHFFFAOYSA-N 0 3 403.552 1.792 50 0 HDAAHN CCN1CCN(Cc2ccc(OC[C@H](O)CN3CCN(CC)CC3)c(OC)c2)CC1 ZINC000020995301 558426653 /nfs/dbraw/zinc/42/66/53/558426653.db2.gz NYWIWSCXULIQGV-OAQYLSRUSA-N 0 3 420.598 1.210 50 0 HDAAHN COCC1CCN(Cc2ccc(OC)c(OC[C@H](O)CN3CCN(C)CC3)c2)CC1 ZINC000022926247 558523254 /nfs/dbraw/zinc/52/32/54/558523254.db2.gz HSTCEPYDGGAIEK-OAQYLSRUSA-N 0 3 421.582 1.541 50 0 HDAAHN Cc1cc(=O)c(C(=O)N2CCN(CCN3CCCC3)CC2)nn1-c1ccccc1F ZINC000023257244 558546356 /nfs/dbraw/zinc/54/63/56/558546356.db2.gz BILHNYJPFMWFGP-UHFFFAOYSA-N 0 3 413.497 1.534 50 0 HDAAHN Cc1nc2ccc(S(=O)(=O)NCC(=O)NCCN3CCCC[C@H]3C)cc2s1 ZINC000004435633 558559250 /nfs/dbraw/zinc/55/92/50/558559250.db2.gz UIIZPYOEMZQREE-CYBMUJFWSA-N 0 3 410.565 1.874 50 0 HDAAHN CN(C)C1(CNC(=O)[C@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)CCCCC1 ZINC000014157416 558625923 /nfs/dbraw/zinc/62/59/23/558625923.db2.gz QTMZIOSSLONQKO-QGZVFWFLSA-N 0 3 418.563 1.981 50 0 HDAAHN COc1ccc([C@@H](CNC(=O)c2cnc3n(c2=O)CCS3)N2CCCC2)cc1 ZINC000014254200 558651023 /nfs/dbraw/zinc/65/10/23/558651023.db2.gz TZLDMMBVZKRJRU-QGZVFWFLSA-N 0 3 400.504 1.925 50 0 HDAAHN O=C1N[C@@H](COCc2ccccc2)C(=O)N2C[C@@H](NCc3ccc(F)c(F)c3)C[C@@H]12 ZINC000014748680 558669915 /nfs/dbraw/zinc/66/99/15/558669915.db2.gz MPZKFNFZFFHKRT-VDGAXYAQSA-N 0 3 415.440 1.739 50 0 HDAAHN COc1cccc(C(=O)N(CCC(=O)N2CCNCC2)CCN2CCCC[C@H]2C)c1 ZINC000035422022 558791711 /nfs/dbraw/zinc/79/17/11/558791711.db2.gz FRJHCIFVQOKSIF-LJQANCHMSA-N 0 3 416.566 1.834 50 0 HDAAHN CS(=O)(=O)Nc1cc(C(=O)NCc2ccccc2F)ccc1N1CCNCC1 ZINC000033034389 558858458 /nfs/dbraw/zinc/85/84/58/558858458.db2.gz UCECVZHZYCKDCW-UHFFFAOYSA-N 0 3 406.483 1.537 50 0 HDAAHN CCN1CCN(CCN2CC3(CCN(C(=O)c4ccccn4)CC3)OC2=O)CC1 ZINC000077320882 559001330 /nfs/dbraw/zinc/00/13/30/559001330.db2.gz VOYGLUGJCBGENO-UHFFFAOYSA-N 0 3 401.511 1.146 50 0 HDAAHN COCCN1CCC(CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000023127352 559015765 /nfs/dbraw/zinc/01/57/65/559015765.db2.gz KQCVIGQQAJPVGO-UHFFFAOYSA-N 0 3 403.401 1.998 50 0 HDAAHN Cc1ccc(N(CC(=O)NCCN(C)Cc2ccccc2)S(=O)(=O)N(C)C)cc1 ZINC000033269469 559032264 /nfs/dbraw/zinc/03/22/64/559032264.db2.gz HIRPACQDJCMUJV-UHFFFAOYSA-N 0 3 418.563 1.856 50 0 HDAAHN CCS(=O)(=O)N1CCC(N2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082137300 559040335 /nfs/dbraw/zinc/04/03/35/559040335.db2.gz YJKGAAGPGXZEDH-IBGZPJMESA-N 0 3 407.580 1.871 50 0 HDAAHN CCN1CCN(CCNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)CC1 ZINC000021019297 568658112 /nfs/dbraw/zinc/65/81/12/568658112.db2.gz QJVSDILGYFTLBW-UHFFFAOYSA-N 0 3 404.536 1.597 50 0 HDAAHN CN(C)CCN(Cc1ccco1)C(=O)CN(C)c1nnc(N2CCCC2=O)s1 ZINC000021026153 568658714 /nfs/dbraw/zinc/65/87/14/568658714.db2.gz MXOAEBMDYSEFFR-UHFFFAOYSA-N 0 3 406.512 1.285 50 0 HDAAHN CCCc1cc(=O)n2nc(N3CCC(C(=O)NCCN4CCCC4)CC3)sc2n1 ZINC000021166069 568674912 /nfs/dbraw/zinc/67/49/12/568674912.db2.gz AUWUGNQXVPOPIJ-UHFFFAOYSA-N 0 3 418.567 1.532 50 0 HDAAHN CN1CCN(CCCNC(=O)c2cccn2-c2nnc(N3CCCCC3)s2)CC1 ZINC000021535447 568711907 /nfs/dbraw/zinc/71/19/07/568711907.db2.gz OALXJESYTPLVCY-UHFFFAOYSA-N 0 3 417.583 1.686 50 0 HDAAHN CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CCN(C)CC1 ZINC000003242585 568847998 /nfs/dbraw/zinc/84/79/98/568847998.db2.gz FAIKZDCJHVYDHW-UHFFFAOYSA-N 0 3 415.943 1.527 50 0 HDAAHN CN(C)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000003248981 568867556 /nfs/dbraw/zinc/86/75/56/568867556.db2.gz PUWCYKGUKJSAMB-UHFFFAOYSA-N 0 3 410.323 1.306 50 0 HDAAHN COc1ccc(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)c(OC)n1 ZINC000670457996 568943311 /nfs/dbraw/zinc/94/33/11/568943311.db2.gz KFBRSMDGIIQPAJ-VRVFXRSRSA-N 0 3 408.502 1.396 50 0 HDAAHN COc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1C ZINC000015671234 568961664 /nfs/dbraw/zinc/96/16/64/568961664.db2.gz UHNLFDNGESJARN-UHFFFAOYSA-N 0 3 405.524 1.679 50 0 HDAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1cc(-c2ccccn2)n[nH]1 ZINC000670465076 568968626 /nfs/dbraw/zinc/96/86/26/568968626.db2.gz YOJMRBSYEKLOBQ-NZAVSEOKSA-N 0 3 414.513 1.769 50 0 HDAAHN CN1CCC(N2CCN(Cc3cnn(-c4ccccc4F)c3)C[C@H]2CCO)CC1 ZINC000104405284 569008506 /nfs/dbraw/zinc/00/85/06/569008506.db2.gz FHWOMFKNLHCRNF-HXUWFJFHSA-N 0 3 401.530 1.974 50 0 HDAAHN COc1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CCN(C)C)c2=O)cc1 ZINC000000638470 569032901 /nfs/dbraw/zinc/03/29/01/569032901.db2.gz ULDQCKLGQJGCHD-UHFFFAOYSA-N 0 3 413.474 1.799 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)c1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)no1 ZINC000035512973 569043249 /nfs/dbraw/zinc/04/32/49/569043249.db2.gz AAKWFPIDDFXPFG-AWEZNQCLSA-N 0 3 407.496 1.201 50 0 HDAAHN COc1ccc(-c2cc(C(=O)N[C@@H](C(=O)NCCN(C)C)C(C)C)no2)c(OC)c1 ZINC000035992488 569074800 /nfs/dbraw/zinc/07/48/00/569074800.db2.gz KHGIMWOEYKSNJQ-LJQANCHMSA-N 0 3 418.494 1.791 50 0 HDAAHN CCN1CCN(CCCNC(=O)[C@H](C)n2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000064776043 569093666 /nfs/dbraw/zinc/09/36/66/569093666.db2.gz FCEQDLMRVFUESH-KRWDZBQOSA-N 0 3 424.549 1.593 50 0 HDAAHN CC[C@H](C(=O)NCCCN1CCN(C)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787495 569094216 /nfs/dbraw/zinc/09/42/16/569094216.db2.gz SZVCVXXCSUQHSQ-LJQANCHMSA-N 0 3 424.549 1.593 50 0 HDAAHN C[C@H]1CCCCN1CCNC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1 ZINC000065226806 569200039 /nfs/dbraw/zinc/20/00/39/569200039.db2.gz PAVSSHQIIYBMRX-SFHVURJKSA-N 0 3 416.570 1.520 50 0 HDAAHN COc1ccc(-c2nccn3cc(C(=O)NCCCN4CCN(C)CC4)nc23)cc1 ZINC000065274446 569215153 /nfs/dbraw/zinc/21/51/53/569215153.db2.gz BJBSNPLOWWERPR-UHFFFAOYSA-N 0 3 408.506 1.772 50 0 HDAAHN O=C(CN1c2ccc(F)cc2C(=O)N2CCC[C@H]2C1=O)NCCN1CCCCC1 ZINC000065306878 569220741 /nfs/dbraw/zinc/22/07/41/569220741.db2.gz WHAAMSNXTXJSGH-SFHVURJKSA-N 0 3 402.470 1.379 50 0 HDAAHN Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCCN1CCN(C2CCCCC2)CC1 ZINC000065321291 569224206 /nfs/dbraw/zinc/22/42/06/569224206.db2.gz XZORZNCNDXXQHI-UHFFFAOYSA-N 0 3 415.538 1.905 50 0 HDAAHN COc1ccc(CN2CCSCC2)cc1OC[C@@H](O)CN1CCCN(C)CC1 ZINC000019791073 569429924 /nfs/dbraw/zinc/42/99/24/569429924.db2.gz FPBFAJQAPUPFIT-IBGZPJMESA-N 0 3 409.596 1.621 50 0 HDAAHN CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000067287714 571065558 /nfs/dbraw/zinc/06/55/58/571065558.db2.gz NDHXXHHFCLBJHO-HXUWFJFHSA-N 0 3 416.522 1.894 50 0 HDAAHN O=C(NCc1ccccc1CN1CCCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000010282021 571299280 /nfs/dbraw/zinc/29/92/80/571299280.db2.gz DGPXYKMARFCXRB-UHFFFAOYSA-N 0 3 414.531 1.786 50 0 HDAAHN CN1c2ccccc2[C@]2(C1=O)[C@@H](C(=O)N1CCC3(CC1)OCCO3)C[C@H]1CCCN12 ZINC000057992322 571315446 /nfs/dbraw/zinc/31/54/46/571315446.db2.gz CTDCUICZZISEFT-JTUHZDRVSA-N 0 3 411.502 1.708 50 0 HDAAHN Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)NCCN(C)C)cc12 ZINC000004879510 132291206 /nfs/dbraw/zinc/29/12/06/132291206.db2.gz POSGEWUKBZICGB-UHFFFAOYSA-N 0 3 413.522 1.776 50 0 HDAAHN O=C(C[C@H]1C(=O)NCCN1CCc1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000012055560 132353316 /nfs/dbraw/zinc/35/33/16/132353316.db2.gz DRZLYVPCPNXVMF-NRFANRHFSA-N 0 3 407.518 1.163 50 0 HDAAHN CC(C)c1ccc(S(=O)(=O)N(CCN2CCCC2)CC(=O)N2CCNCC2)cc1 ZINC000045974182 519838469 /nfs/dbraw/zinc/83/84/69/519838469.db2.gz FYPQWQWIPIARNL-UHFFFAOYSA-N 0 3 422.595 1.328 50 0 HDAAHN CCN1CCN(CCNC(=O)CC2CCN(C(=O)c3ccc(C)cc3)CC2)CC1 ZINC000032974206 521682046 /nfs/dbraw/zinc/68/20/46/521682046.db2.gz PCMUDJQNUOBEQN-UHFFFAOYSA-N 0 3 400.567 1.991 50 0 HDAAHN COc1cccc(C2=NO[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@H]3C(=O)N(CCN(C)C)C(=O)[C@H]32)c1OC ZINC000248010190 525858637 /nfs/dbraw/zinc/85/86/37/525858637.db2.gz PDGGZHFADDVANG-KDTMQJHFSA-N 0 3 413.474 1.235 50 0 HDAAHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1ccc(C)cc1 ZINC000009419401 535501929 /nfs/dbraw/zinc/50/19/29/535501929.db2.gz QKHUJAWVAXBQMN-PMACEKPBSA-N 0 3 421.501 1.918 50 0 HDAAHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1ccccc1 ZINC000009049226 535502717 /nfs/dbraw/zinc/50/27/17/535502717.db2.gz PPHWWJCJQDCCCJ-OALUTQOASA-N 0 3 407.474 1.610 50 0 HDAAHN CCN1CCN(C(=O)c2[nH]nc3c2CN(C(=O)Cc2cccc(Cl)c2)CC3)CC1 ZINC000034797224 557472362 /nfs/dbraw/zinc/47/23/62/557472362.db2.gz RDIRYOVPUWRPTP-UHFFFAOYSA-N 0 3 415.925 1.968 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN([C@@H]2CC(=O)N(Cc3cccs3)C2=O)CC1 ZINC000004196858 557527979 /nfs/dbraw/zinc/52/79/79/557527979.db2.gz ASOIDEQDJQHLPF-MRXNPFEDSA-N 0 3 404.536 1.181 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2=O)CC1 ZINC000004721121 557586480 /nfs/dbraw/zinc/58/64/80/557586480.db2.gz DRZLHMKYKHGEMZ-GOSISDBHSA-N 0 3 416.497 1.259 50 0 HDAAHN COc1ccccc1N1C(=O)C[C@@H](N2CCC(C(N)=O)(N3CCCCC3)CC2)C1=O ZINC000019809563 558286392 /nfs/dbraw/zinc/28/63/92/558286392.db2.gz DZKHHEZFBBZFNF-QGZVFWFLSA-N 0 3 414.506 1.133 50 0 HDAAHN COC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1ccccc1 ZINC000019818005 558288237 /nfs/dbraw/zinc/28/82/37/558288237.db2.gz NSAZRCMDPIAHQB-WOJBJXKFSA-N 0 3 406.486 1.821 50 0 HDAAHN COc1ccc(Cn2c3cc4c(cc3cc(CNC[C@H](O)CO)c2=O)CCC4)cc1 ZINC000012126162 558331352 /nfs/dbraw/zinc/33/13/52/558331352.db2.gz WRLXKDCOWZXXDM-NRFANRHFSA-N 0 3 408.498 1.990 50 0 HDAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)CN4CCOC4=O)C3)C2)c1OC ZINC000012303189 558372901 /nfs/dbraw/zinc/37/29/01/558372901.db2.gz RYOBVQAPIGONQB-QFIPXVFZSA-N 0 3 417.506 1.971 50 0 HDAAHN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCN1CCN(C)CC1 ZINC000020819530 558416765 /nfs/dbraw/zinc/41/67/65/558416765.db2.gz JZKGOTHQFGIJLE-UHFFFAOYSA-N 0 3 422.595 1.537 50 0 HDAAHN CCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(CCN1CCCCC1)c(=O)n2C ZINC000012516094 558424310 /nfs/dbraw/zinc/42/43/10/558424310.db2.gz VRUFTRVYQMACEP-UHFFFAOYSA-N 0 3 413.526 1.595 50 0 HDAAHN CN(Cc1ccc2nonc2c1)Cc1cccc(OC[C@@H](O)CN2CCOCC2)c1 ZINC000012578758 558431814 /nfs/dbraw/zinc/43/18/14/558431814.db2.gz QGDWUCLWYLAJDX-IBGZPJMESA-N 0 3 412.490 1.927 50 0 HDAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@@H]1CNC(=O)C1 ZINC000012583584 558433442 /nfs/dbraw/zinc/43/34/42/558433442.db2.gz KMLNZFGWCBNSDC-IBGZPJMESA-N 0 3 403.523 1.518 50 0 HDAAHN O=C(N[C@@H](CCn1cncn1)c1ccccc1)c1cn(CCN2CCCCC2)nn1 ZINC000012588251 558434834 /nfs/dbraw/zinc/43/48/34/558434834.db2.gz KFWOWLHXKBXGFR-IBGZPJMESA-N 0 3 408.510 1.917 50 0 HDAAHN COc1ccc(CN2C[C@H](C(=O)NC3CC3)C[C@H](CN3CCOCC3)C2)cc1OC ZINC000014733021 558665937 /nfs/dbraw/zinc/66/59/37/558665937.db2.gz OBPMJMYCBCCIHN-RTBURBONSA-N 0 3 417.550 1.753 50 0 HDAAHN Cn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@H](NCc1ccc(F)cc1)C2 ZINC000014747805 558669735 /nfs/dbraw/zinc/66/97/35/558669735.db2.gz OEWYYMWYIODYHO-SFHVURJKSA-N 0 3 415.513 1.268 50 0 HDAAHN CCN1CCN(C(=O)c2ccc(N3CCC(NCc4nonc4C)CC3)cc2)CC1 ZINC000014984124 558692598 /nfs/dbraw/zinc/69/25/98/558692598.db2.gz CRRPWYIWVYTBJU-UHFFFAOYSA-N 0 3 412.538 1.914 50 0 HDAAHN CC(C)CN1CCCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000072278474 558704756 /nfs/dbraw/zinc/70/47/56/558704756.db2.gz FCZYJTRLADRHTN-UHFFFAOYSA-N 0 3 414.597 1.556 50 0 HDAAHN COc1ccc(CN2CCC[C@@H](n3cc(C(=O)NCCCO)nn3)C2)c(C)c1C ZINC000015070773 558712521 /nfs/dbraw/zinc/71/25/21/558712521.db2.gz ZCHOCPANCFSHGK-GOSISDBHSA-N 0 3 401.511 1.853 50 0 HDAAHN CCOC(=O)c1csc(CCNC(=O)c2cn(CCN3CCCCC3)nn2)n1 ZINC000015078971 558718182 /nfs/dbraw/zinc/71/81/82/558718182.db2.gz OSJVKUXJTAUFIB-UHFFFAOYSA-N 0 3 406.512 1.370 50 0 HDAAHN COC(=O)C1=C(N)Oc2cc(C)n(CCN(C)C)c(=O)c2[C@@H]1c1ccccc1F ZINC000004570641 558742835 /nfs/dbraw/zinc/74/28/35/558742835.db2.gz HLHACDMDERCYAH-INIZCTEOSA-N 0 3 401.438 1.725 50 0 HDAAHN CCN(CC)CCSc1ncc(C(=O)OC)cc1S(=O)(=O)N1CCOCC1 ZINC000072301759 558752101 /nfs/dbraw/zinc/75/21/01/558752101.db2.gz WSIKLXFAWDGUKA-UHFFFAOYSA-N 0 3 417.553 1.323 50 0 HDAAHN O=C(c1cccc([O-])c1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071746574 558908360 /nfs/dbraw/zinc/90/83/60/558908360.db2.gz OTULCGOWLGQGKL-SFHVURJKSA-N 0 3 401.507 1.568 50 0 HDAAHN O=C(c1cccc([O-])c1)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071746574 558908364 /nfs/dbraw/zinc/90/83/64/558908364.db2.gz OTULCGOWLGQGKL-SFHVURJKSA-N 0 3 401.507 1.568 50 0 HDAAHN Cc1ccc(C)c(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c1 ZINC000065362966 558973890 /nfs/dbraw/zinc/97/38/90/558973890.db2.gz WHMUCNPBVLIMKV-UHFFFAOYSA-N 0 3 405.524 1.629 50 0 HDAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)Cn3c4ccccc4n(C)c(=O)c3=O)C2)cc1 ZINC000021943823 558979629 /nfs/dbraw/zinc/97/96/29/558979629.db2.gz CJPXPKYKTYNQDZ-IBGZPJMESA-N 0 3 420.513 1.647 50 0 HDAAHN CC[C@H](CN(C)Cc1ccccc1)NC(=O)Cn1c2ccccc2n(C)c(=O)c1=O ZINC000021943851 558979646 /nfs/dbraw/zinc/97/96/46/558979646.db2.gz OBEPYEKMHKQJNS-GOSISDBHSA-N 0 3 408.502 1.727 50 0 HDAAHN CN(C)S(=O)(=O)N1CCC(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000072437293 558980774 /nfs/dbraw/zinc/98/07/74/558980774.db2.gz FDEDAFLTAWCAMK-UHFFFAOYSA-N 0 3 408.568 1.069 50 0 HDAAHN CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000067601948 558987673 /nfs/dbraw/zinc/98/76/73/558987673.db2.gz PVTMBTQHKYOSTH-GOSISDBHSA-N 0 3 423.579 1.838 50 0 HDAAHN Cc1nn(CC(=O)NCCN(C)C)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033267296 558989712 /nfs/dbraw/zinc/98/97/12/558989712.db2.gz VOARPNDRBCLEBH-UHFFFAOYSA-N 0 3 419.489 1.359 50 0 HDAAHN CC(C)c1cccc(S(=O)(=O)N2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000097163879 558998251 /nfs/dbraw/zinc/99/82/51/558998251.db2.gz AUHMLMDJRGTZRL-KRWDZBQOSA-N 0 3 400.566 1.740 50 0 HDAAHN Cc1ccc(CN(C)C(=O)[C@@H]2[C@H]3C(=O)N(CCN4CCCCC4)C[C@@]34C=C[C@@H]2O4)o1 ZINC000077405991 559003841 /nfs/dbraw/zinc/00/38/41/559003841.db2.gz MHYVVOYREOYGKL-MXBUBSDBSA-N 0 3 413.518 1.814 50 0 HDAAHN C[C@H](C(=O)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1)N1CCCC1 ZINC000095519631 559084835 /nfs/dbraw/zinc/08/48/35/559084835.db2.gz QSWIMBWSRLYZGW-LJQANCHMSA-N 0 3 401.555 1.989 50 0 HDAAHN COc1cccc(CN2CC3(CC2=O)CCN(C(=O)C[C@H]2CNCCO2)CC3)c1 ZINC000095524158 559085729 /nfs/dbraw/zinc/08/57/29/559085729.db2.gz FMUADUWERPMIAV-IBGZPJMESA-N 0 3 401.507 1.415 50 0 HDAAHN COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CN1CCCCCC1)CC2 ZINC000095526844 559086181 /nfs/dbraw/zinc/08/61/81/559086181.db2.gz VHCRAAAPJGFKKS-UHFFFAOYSA-N 0 3 403.527 1.135 50 0 HDAAHN CC(C)N1CCN([C@H]2CCOC3(CCN(S(=O)(=O)c4cccnc4)CC3)C2)CC1 ZINC000575317734 560855625 /nfs/dbraw/zinc/85/56/25/560855625.db2.gz ZMCHOPYASYYTNK-IBGZPJMESA-N 0 3 422.595 1.810 50 0 HDAAHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CN(S(=O)(=O)c3ccccc3)[C@H]3CCN2C3)n1 ZINC000108367095 568418654 /nfs/dbraw/zinc/41/86/54/568418654.db2.gz GGJVPUBVCFHIAD-DLBZAZTESA-N 0 3 402.520 1.333 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)C[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000223243298 568542473 /nfs/dbraw/zinc/54/24/73/568542473.db2.gz BFTNKUBUTTYVDD-QFBILLFUSA-N 0 3 411.506 1.621 50 0 HDAAHN CCOC(=O)C1=C(CN2CCN(CC)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530933 568626771 /nfs/dbraw/zinc/62/67/71/568626771.db2.gz MVXTWFUNIQUEJZ-LJQANCHMSA-N 0 3 402.495 1.504 50 0 HDAAHN CCOC(=O)C1C(CN2CCN(CC)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530933 568626774 /nfs/dbraw/zinc/62/67/74/568626774.db2.gz MVXTWFUNIQUEJZ-LJQANCHMSA-N 0 3 402.495 1.504 50 0 HDAAHN CCN1CCN(CCCNC(=O)[C@H]2CCCN(c3ncnc4onc(C)c43)C2)CC1 ZINC000020945135 568653191 /nfs/dbraw/zinc/65/31/91/568653191.db2.gz UEKZJXBKKLNIDO-KRWDZBQOSA-N 0 3 415.542 1.286 50 0 HDAAHN CCN1CCN(CCCNC(=O)[C@@H](NS(=O)(=O)c2cccs2)C(C)C)CC1 ZINC000021052307 568660904 /nfs/dbraw/zinc/66/09/04/568660904.db2.gz ZLJSUDSJNUAIHB-KRWDZBQOSA-N 0 3 416.613 1.195 50 0 HDAAHN O=C(Cc1cccc(F)c1)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 ZINC000299763299 568873521 /nfs/dbraw/zinc/87/35/21/568873521.db2.gz YXSTWZQCEKVWFT-HXUWFJFHSA-N 0 3 403.498 1.729 50 0 HDAAHN O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCn2cnnc2)CC1 ZINC000299764412 568873591 /nfs/dbraw/zinc/87/35/91/568873591.db2.gz VTAHPZYSHLRCCS-LJQANCHMSA-N 0 3 403.458 1.188 50 0 HDAAHN O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCc2ncc[nH]2)CC1 ZINC000299791837 568876066 /nfs/dbraw/zinc/87/60/66/568876066.db2.gz GBHZADALCSPKJM-IBGZPJMESA-N 0 3 402.470 1.862 50 0 HDAAHN CC(C)c1cc(C(=O)NC[C@@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)no1 ZINC000299799065 568876425 /nfs/dbraw/zinc/87/64/25/568876425.db2.gz XAXZUJBRDVJJAY-QGZVFWFLSA-N 0 3 404.511 1.772 50 0 HDAAHN Cc1nncn1CCN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299799797 568876549 /nfs/dbraw/zinc/87/65/49/568876549.db2.gz SOPJDSCBIHTBQY-FQEVSTJZSA-N 0 3 417.485 1.496 50 0 HDAAHN COc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1C ZINC000015671237 568961822 /nfs/dbraw/zinc/96/18/22/568961822.db2.gz IBALOSSFILBPEB-UHFFFAOYSA-N 0 3 419.551 1.987 50 0 HDAAHN Cc1cccc(=O)n1CCC(=O)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670468740 568977294 /nfs/dbraw/zinc/97/72/94/568977294.db2.gz SOJQVTDGYNCCML-PAHOBDAQSA-N 0 3 406.530 1.231 50 0 HDAAHN Cc1cccc(=O)n1CCC(=O)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670468739 568977326 /nfs/dbraw/zinc/97/73/26/568977326.db2.gz SOJQVTDGYNCCML-JWLIYLPMSA-N 0 3 406.530 1.231 50 0 HDAAHN CN(C)CCNC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000015722481 568977697 /nfs/dbraw/zinc/97/76/97/568977697.db2.gz SJYHYKPERDFGNS-UHFFFAOYSA-N 0 3 406.552 1.884 50 0 HDAAHN Cc1oc(-c2ccc(C(=O)NCCN(C)C)cc2)nc1CN1CCC(C(N)=O)CC1 ZINC000015775000 568999175 /nfs/dbraw/zinc/99/91/75/568999175.db2.gz DBICEQPNSAPPFJ-UHFFFAOYSA-N 0 3 413.522 1.639 50 0 HDAAHN Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000017012905 569005125 /nfs/dbraw/zinc/00/51/25/569005125.db2.gz SNNLQHRWUMKUCU-UHFFFAOYSA-N 0 3 416.551 1.048 50 0 HDAAHN CCN1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000015862688 569015947 /nfs/dbraw/zinc/01/59/47/569015947.db2.gz MXPOOYKTZNKVKM-LJQANCHMSA-N 0 3 422.595 1.292 50 0 HDAAHN CC(C(=O)NCc1ccccc1CN1CCOCC1)S(=O)(=O)C1CCOCC1 ZINC000089478895 569061022 /nfs/dbraw/zinc/06/10/22/569061022.db2.gz MWBFXLLFPTUUBF-INIZCTEOSA-N 0 3 410.536 1.117 50 0 HDAAHN COc1ccc(OC)c(-c2cc(C(=O)N[C@@H](C(=O)NCCN(C)C)C(C)C)no2)c1 ZINC000036016072 569076637 /nfs/dbraw/zinc/07/66/37/569076637.db2.gz WRSBGEHAEMYMRD-LJQANCHMSA-N 0 3 418.494 1.791 50 0 HDAAHN O=C(NCCCN1CCOCC1)c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1 ZINC000065256242 569208191 /nfs/dbraw/zinc/20/81/91/569208191.db2.gz KBFLVSACVSGYRX-OAQYLSRUSA-N 0 3 409.534 1.685 50 0 HDAAHN Cc1scc2nc(C(=O)NCCCN3CCN(C)CC3)nc(N3CCOCC3)c12 ZINC000065283326 569216512 /nfs/dbraw/zinc/21/65/12/569216512.db2.gz SEMQDRJFTOBTDX-UHFFFAOYSA-N 0 3 418.567 1.204 50 0 HDAAHN CN(C)CCN1CCN(c2nc3nn(C)c(N)c3c(-c3ccc(F)cc3F)n2)CC1 ZINC000037361000 569283529 /nfs/dbraw/zinc/28/35/29/569283529.db2.gz HDXKCNLQSPUXRV-UHFFFAOYSA-N 0 3 416.480 1.574 50 0 HDAAHN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CNCCCN1CCOCC1 ZINC000007737457 569304880 /nfs/dbraw/zinc/30/48/80/569304880.db2.gz UFFBCLWKUDDIPK-UHFFFAOYSA-N 0 3 402.520 1.764 50 0 HDAAHN CCOCC(=O)N1CCC2(CC1)C[C@@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581820102 569320977 /nfs/dbraw/zinc/32/09/77/569320977.db2.gz REUKZFSMQOCLKO-IBGZPJMESA-N 0 3 402.539 1.780 50 0 HDAAHN CN(C)C[C@H](O)COc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000079066725 569426600 /nfs/dbraw/zinc/42/66/00/569426600.db2.gz LJVBCERZVHTEPW-UNMCSNQZSA-N 0 3 413.518 1.827 50 0 HDAAHN Cc1c(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)cnc2ccnn21 ZINC000670474320 571111052 /nfs/dbraw/zinc/11/10/52/571111052.db2.gz MOJDHSAUVKOGOJ-QKTWPWEVSA-N 0 3 402.502 1.335 50 0 HDAAHN C[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008791937 571120202 /nfs/dbraw/zinc/12/02/02/571120202.db2.gz JEZQKGIJXMVCTQ-AWEZNQCLSA-N 0 3 415.925 1.774 50 0 biogenic HDAAHN CN1CCN(CCCNC(=O)CNC(=O)COc2ccccc2)[C@H](c2ccccc2)C1 ZINC000069925901 571249998 /nfs/dbraw/zinc/24/99/98/571249998.db2.gz ZYXFCDHRZHRPOS-QFIPXVFZSA-N 0 3 424.545 1.677 50 0 HDAAHN COC(=O)c1sccc1NC(=O)CN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000071328484 571292635 /nfs/dbraw/zinc/29/26/35/571292635.db2.gz OTRQIFRBWYZXIY-UHFFFAOYSA-N 0 3 408.524 1.279 50 0 HDAAHN CCOC(=O)CN(C)Cc1ccc(OC)c(OC[C@H](O)CN2CCCN(C)CC2)c1 ZINC000020541578 520744746 /nfs/dbraw/zinc/74/47/46/520744746.db2.gz FENLIYWRHUCVMO-LJQANCHMSA-N 0 3 423.554 1.067 50 0 HDAAHN CCN1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(OC)cc1 ZINC000045966813 521653611 /nfs/dbraw/zinc/65/36/11/521653611.db2.gz OWBWOUXLBDTOJZ-IBGZPJMESA-N 0 3 402.539 1.444 50 0 HDAAHN CCc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CCN2CCCC2)cc1 ZINC000045944084 524010701 /nfs/dbraw/zinc/01/07/01/524010701.db2.gz JYONKWNUMZFULX-UHFFFAOYSA-N 0 3 422.595 1.157 50 0 HDAAHN Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CCN2CCCCC2)cc1 ZINC000045945303 525510961 /nfs/dbraw/zinc/51/09/61/525510961.db2.gz HLXRYAYASGMTGF-UHFFFAOYSA-N 0 3 422.595 1.294 50 0 HDAAHN CC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(C4CCCC4)CC3)co2)CC1 ZINC000034677824 557365553 /nfs/dbraw/zinc/36/55/53/557365553.db2.gz UOASZJOGMCUAMU-IBGZPJMESA-N 0 3 419.570 1.264 50 0 HDAAHN COc1cc(CNCCOc2ccccc2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000012076766 558320094 /nfs/dbraw/zinc/32/00/94/558320094.db2.gz VBMYEWAETJRGPP-HXUWFJFHSA-N 0 3 416.518 1.936 50 0 HDAAHN COc1ccc(Cn2c3cc4c(cc3cc(CNC[C@@H](O)CO)c2=O)CCC4)cc1 ZINC000012126153 558331335 /nfs/dbraw/zinc/33/13/35/558331335.db2.gz WRLXKDCOWZXXDM-OAQYLSRUSA-N 0 3 408.498 1.990 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CCC2=NNC(=O)CC2)CC1 ZINC000012304307 558373661 /nfs/dbraw/zinc/37/36/61/558373661.db2.gz XCCCKENXULKAMZ-IBGZPJMESA-N 0 3 419.570 1.652 50 0 HDAAHN O=C(N[C@H](CCn1cncn1)c1ccccc1)c1cn(CCN2CCCCC2)nn1 ZINC000012588255 558434856 /nfs/dbraw/zinc/43/48/56/558434856.db2.gz KFWOWLHXKBXGFR-LJQANCHMSA-N 0 3 408.510 1.917 50 0 HDAAHN Cc1nn(-c2ccccc2)c2c1nc(CCC(=O)NCCN1CCCC1)c(=O)n2C ZINC000021640906 558444561 /nfs/dbraw/zinc/44/45/61/558444561.db2.gz HUDLQGGURQNAHX-UHFFFAOYSA-N 0 3 408.506 1.572 50 0 HDAAHN CNS(=O)(=O)c1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1OC ZINC000012790598 558465165 /nfs/dbraw/zinc/46/51/65/558465165.db2.gz SUOVYHKSHLCPHF-UHFFFAOYSA-N 0 3 417.531 1.998 50 0 HDAAHN CCc1ncc(CN2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)cn1 ZINC000023360140 558551751 /nfs/dbraw/zinc/55/17/51/558551751.db2.gz MAWJZAMIAUNWDQ-DHIUTWEWSA-N 0 3 409.578 1.835 50 0 HDAAHN CS(=O)(=O)NC1CCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000014238581 558642596 /nfs/dbraw/zinc/64/25/96/558642596.db2.gz VRDKONZMZOFEPL-UHFFFAOYSA-N 0 3 408.524 1.156 50 0 HDAAHN CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](NCc1ccccc1OC)C2 ZINC000014539297 558659177 /nfs/dbraw/zinc/65/91/77/558659177.db2.gz JBPPNQFIJJLEKD-SFHVURJKSA-N 0 3 411.550 1.946 50 0 HDAAHN C[C@H]1C[C@H](C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1 ZINC000015377592 558736404 /nfs/dbraw/zinc/73/64/04/558736404.db2.gz RHGAIMFZYQHLAW-GJZGRUSLSA-N 0 3 415.506 1.776 50 0 HDAAHN CCN(CC)[C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H](N(CC)CC)C3=O)cc2)C1=O ZINC000017166611 558824592 /nfs/dbraw/zinc/82/45/92/558824592.db2.gz DCSAANTUNCFNMM-HDICACEKSA-N 0 3 414.506 1.634 50 0 HDAAHN CCOc1ccc(N2C(=O)C[C@@H](NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000018250489 558834707 /nfs/dbraw/zinc/83/47/07/558834707.db2.gz BOVSQYFIDHBSEV-GOSISDBHSA-N 0 3 417.487 1.197 50 0 HDAAHN CCc1nnc(C(=O)Nc2cccc(C(=O)NCCN3CCN(CC)CC3)c2)s1 ZINC000033022467 558837577 /nfs/dbraw/zinc/83/75/77/558837577.db2.gz KLELJRHMBKCRFK-UHFFFAOYSA-N 0 3 416.551 1.720 50 0 HDAAHN CC1CCN(S(=O)(=O)c2ccc3ncc(C(=O)NCC[NH+](C)C)c([O-])c3c2)CC1 ZINC000004660450 558873518 /nfs/dbraw/zinc/87/35/18/558873518.db2.gz RTPSKHLGSYWEGY-UHFFFAOYSA-N 0 3 420.535 1.240 50 0 HDAAHN O=C(C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1)c1ccco1 ZINC000071755390 558909525 /nfs/dbraw/zinc/90/95/25/558909525.db2.gz XXDIDSHXUCUPPO-INIZCTEOSA-N 0 3 403.479 1.024 50 0 HDAAHN C[C@@H]1Sc2ccc(C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)cc2NC1=O ZINC000058264408 558915349 /nfs/dbraw/zinc/91/53/49/558915349.db2.gz FXOBBRDJNYDYRA-XJKSGUPXSA-N 0 3 404.536 1.792 50 0 HDAAHN CN1CCN(CCCNC(=O)CCc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033061675 558955340 /nfs/dbraw/zinc/95/53/40/558955340.db2.gz ZSAVNLFFZUREFL-UHFFFAOYSA-N 0 3 416.551 1.477 50 0 HDAAHN O=C(CCc1nc(CS(=O)(=O)c2ccccc2)no1)NCCN1CCCCCC1 ZINC000033062702 558956265 /nfs/dbraw/zinc/95/62/65/558956265.db2.gz NUBWRXLYFFBQCQ-UHFFFAOYSA-N 0 3 420.535 1.968 50 0 HDAAHN COc1cccc(C(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)c1 ZINC000072441253 558981453 /nfs/dbraw/zinc/98/14/53/558981453.db2.gz MAEFFCRMWTVGPM-UHFFFAOYSA-N 0 3 410.522 1.508 50 0 HDAAHN Cc1nc(NCCNS(=O)(=O)c2ccc(F)c(F)c2)cc(N2CCOCC2)n1 ZINC000067603983 558988158 /nfs/dbraw/zinc/98/81/58/558988158.db2.gz CSVDXWMCNCLDBF-UHFFFAOYSA-N 0 3 413.450 1.290 50 0 HDAAHN CC1CCN(CCNC(=O)CCc2nc(CS(=O)(=O)c3ccccc3)no2)CC1 ZINC000033268366 558991772 /nfs/dbraw/zinc/99/17/72/558991772.db2.gz IYLFJQGMZWYTJF-UHFFFAOYSA-N 0 3 420.535 1.824 50 0 HDAAHN Cc1ccc(S(=O)(=O)N2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 ZINC000097097514 558992399 /nfs/dbraw/zinc/99/23/99/558992399.db2.gz HQVKJVGPODOFQT-CQSZACIVSA-N 0 3 406.957 1.578 50 0 HDAAHN CCOCCC(=O)N1CCc2cc(S(=O)(=O)NC[C@H]3CCCN(C)C3)ccc2C1 ZINC000077459638 559006240 /nfs/dbraw/zinc/00/62/40/559006240.db2.gz NLYKEFCMCBCNFN-QGZVFWFLSA-N 0 3 423.579 1.618 50 0 HDAAHN COCCN(C)CCN1CC2(CCN(C(=O)c3cccc4ccnn43)CC2)OC1=O ZINC000077565648 559009295 /nfs/dbraw/zinc/00/92/95/559009295.db2.gz JTWKVDRLDSFVAP-UHFFFAOYSA-N 0 3 415.494 1.340 50 0 HDAAHN CCCCN1CCN([C@H](C(=O)NC2CCN(C)CC2)c2ccccc2)C(=O)C1=O ZINC000077566408 559009311 /nfs/dbraw/zinc/00/93/11/559009311.db2.gz DGDKZQZXOJPGNK-IBGZPJMESA-N 0 3 400.523 1.409 50 0 HDAAHN COCC(=O)N1CCc2nc[nH]c2C12CCN(Cc1cc(O)ccc1OC)CC2 ZINC000095500850 559082255 /nfs/dbraw/zinc/08/22/55/559082255.db2.gz RSONYTUUYQSLCR-UHFFFAOYSA-N 0 3 400.479 1.646 50 0 HDAAHN COc1ccc(CN(C)Cc2ccco2)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000095511372 559084093 /nfs/dbraw/zinc/08/40/93/559084093.db2.gz PUSHVXZXOUGPRR-IBGZPJMESA-N 0 3 403.523 1.907 50 0 HDAAHN COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CN1CCCC[C@@H]1C)CC2 ZINC000095528092 559086289 /nfs/dbraw/zinc/08/62/89/559086289.db2.gz VPZPZHARTXQHIG-INIZCTEOSA-N 0 3 403.527 1.133 50 0 HDAAHN COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)CN1CCCC[C@@H]1C)CC2 ZINC000095528092 559086291 /nfs/dbraw/zinc/08/62/91/559086291.db2.gz VPZPZHARTXQHIG-INIZCTEOSA-N 0 3 403.527 1.133 50 0 HDAAHN COc1ccc(C2=NO[C@@H]3[C@@H]4C[C@H]([C@H]23)[C@H]2C(=O)N(CCN(C)C)C(=O)[C@@H]42)c(OC)c1 ZINC000005245225 560550346 /nfs/dbraw/zinc/55/03/46/560550346.db2.gz PQYPHYAIJQRYTB-QCTDFANMSA-N 0 3 413.474 1.235 50 0 HDAAHN CCc1cc(CC)n(-c2nc3c(c(=O)n(CCN4CCCCC4)c(=O)n3C)n2C)n1 ZINC000012232141 568454034 /nfs/dbraw/zinc/45/40/34/568454034.db2.gz AJZBZQXNRDIBRU-UHFFFAOYSA-N 0 3 413.526 1.230 50 0 HDAAHN CCOC(=O)C1C(CN2CCN(C)CC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214429 568594713 /nfs/dbraw/zinc/59/47/13/568594713.db2.gz AUYXVKBTMCFMTG-HXUWFJFHSA-N 0 3 416.522 1.892 50 0 HDAAHN CCCN1CCN(CCCNC(=O)CCn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000020724416 568640536 /nfs/dbraw/zinc/64/05/36/568640536.db2.gz ACWDQFVXMVGEOA-UHFFFAOYSA-N 0 3 411.550 1.834 50 0 HDAAHN NS(=O)(=O)c1ccc(C(=O)NCC2(N3CCCCC3)CCOCC2)c(Cl)c1 ZINC000225505179 568644435 /nfs/dbraw/zinc/64/44/35/568644435.db2.gz SUBHUSCEQMIXHK-UHFFFAOYSA-N 0 3 415.943 1.752 50 0 HDAAHN CCN(CC)C(=O)Cc1ccc(NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)cc1 ZINC000225854464 568680966 /nfs/dbraw/zinc/68/09/66/568680966.db2.gz QBJLZCUAHOFCTP-UHFFFAOYSA-N 0 3 414.510 1.433 50 0 HDAAHN COc1cccc(-c2cc(C(=O)N3CCC[C@H](C(=O)NCCN(C)C)C3)no2)c1 ZINC000096210408 568704478 /nfs/dbraw/zinc/70/44/78/568704478.db2.gz OUEBZIKXLJIECL-INIZCTEOSA-N 0 3 400.479 1.880 50 0 HDAAHN O=C(Cc1ccccc1F)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 ZINC000299782244 568875112 /nfs/dbraw/zinc/87/51/12/568875112.db2.gz SIHUVXIFLUOYND-LJQANCHMSA-N 0 3 403.498 1.729 50 0 HDAAHN CCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)CC1 ZINC000004316526 568962393 /nfs/dbraw/zinc/96/23/93/568962393.db2.gz VECOMTYMVVIMTB-UHFFFAOYSA-N 0 3 414.485 1.533 50 0 HDAAHN CN1CCN(CCCNC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000035505259 569040830 /nfs/dbraw/zinc/04/08/30/569040830.db2.gz OBOXBMNDRCLRJA-INIZCTEOSA-N 0 3 402.568 1.661 50 0 HDAAHN CSCC[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)NCCN(C)C ZINC000006559551 569065754 /nfs/dbraw/zinc/06/57/54/569065754.db2.gz VQYRXJOAGGNRBY-AWEZNQCLSA-N 0 3 411.952 1.557 50 0 HDAAHN CCN1CCN(CCNC(=O)c2ccnc(N3CCN[C@H](c4ccccc4)C3)c2)CC1 ZINC000065256388 569208400 /nfs/dbraw/zinc/20/84/00/569208400.db2.gz FVKRYIGDUSTYDH-QFIPXVFZSA-N 0 3 422.577 1.600 50 0 HDAAHN CCN1CCN(CCNC(=O)c2ccnc(N3CCN[C@@H](c4ccccc4)C3)c2)CC1 ZINC000065256389 569208409 /nfs/dbraw/zinc/20/84/09/569208409.db2.gz FVKRYIGDUSTYDH-JOCHJYFZSA-N 0 3 422.577 1.600 50 0 HDAAHN COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccccc2CN(C)C)c1 ZINC000036624953 569212698 /nfs/dbraw/zinc/21/26/98/569212698.db2.gz AQESKMYBZBVJEQ-UHFFFAOYSA-N 0 3 419.547 1.911 50 0 HDAAHN C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C1CC1 ZINC000170599437 569242734 /nfs/dbraw/zinc/24/27/34/569242734.db2.gz JPLUKDLANUMZGK-FQEVSTJZSA-N 0 3 406.486 1.717 50 0 HDAAHN C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C1CC1 ZINC000170599437 569242735 /nfs/dbraw/zinc/24/27/35/569242735.db2.gz JPLUKDLANUMZGK-FQEVSTJZSA-N 0 3 406.486 1.717 50 0 HDAAHN CCC(CC)(CNCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C(=O)OC ZINC000089943042 569269388 /nfs/dbraw/zinc/26/93/88/569269388.db2.gz HHINJMQPEDAUBN-INIZCTEOSA-N 0 3 402.557 1.514 50 0 HDAAHN CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@H]1c1ccccc1OCC ZINC000067286865 571065226 /nfs/dbraw/zinc/06/52/26/571065226.db2.gz POROYHBWZCOTHH-FQEVSTJZSA-N 0 3 416.522 1.894 50 0 HDAAHN CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@H]1c1ccccc1OC ZINC000067287614 571065811 /nfs/dbraw/zinc/06/58/11/571065811.db2.gz OUMJKOBRTSQGDE-IBGZPJMESA-N 0 3 402.495 1.504 50 0 HDAAHN O=C(CNC(=O)c1cnc2ccccc2c1O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000040105407 571166187 /nfs/dbraw/zinc/16/61/87/571166187.db2.gz PDYWGCQCHXYFEE-QGZVFWFLSA-N 0 3 404.470 1.649 50 0 HDAAHN CCN1CCN(Cc2ccc(CNC(=O)c3nc4nc(C)cc(C)n4n3)cc2)CC1 ZINC000040115255 571173056 /nfs/dbraw/zinc/17/30/56/571173056.db2.gz WGRRCTCFYIFCBP-UHFFFAOYSA-N 0 3 407.522 1.809 50 0 HDAAHN O=C(Cc1ccc(Cl)cc1)NCC(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008996462 571208853 /nfs/dbraw/zinc/20/88/53/571208853.db2.gz FBQFZSKDBOQGLT-UHFFFAOYSA-N 0 3 401.898 1.385 50 0 HDAAHN C[C@H](NC(=O)c1cccc(Cl)c1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008996981 571209130 /nfs/dbraw/zinc/20/91/30/571209130.db2.gz QTNJIPMMQJMMSU-ZDUSSCGKSA-N 0 3 401.898 1.845 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)Cn1nc(C)n2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000009727922 571282661 /nfs/dbraw/zinc/28/26/61/571282661.db2.gz VWTXLLUPKHDCNB-QGZVFWFLSA-N 0 3 424.505 1.476 50 0 HDAAHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1ccccc1 ZINC000009049225 132335288 /nfs/dbraw/zinc/33/52/88/132335288.db2.gz PPHWWJCJQDCCCJ-MOPGFXCFSA-N 0 3 407.474 1.610 50 0 HDAAHN CCN1CCN(CCCNC(=O)c2ccc3c(c2)[nH]c(=O)n(C(C)C)c3=O)CC1 ZINC000043044685 521681299 /nfs/dbraw/zinc/68/12/99/521681299.db2.gz DDQOLJOJXIFKJM-UHFFFAOYSA-N 0 3 401.511 1.028 50 0 HDAAHN Cc1cc(CN2CCC(CNC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c(C)o1 ZINC000043972785 524675122 /nfs/dbraw/zinc/67/51/22/524675122.db2.gz YLRJETNMVNYHMK-UHFFFAOYSA-N 0 3 411.568 1.896 50 0 HDAAHN Cc1ccc(S(=O)(=O)N(CCCN2CCCC2)CC(=O)N2CCNCC2)c(C)c1 ZINC000045974727 525510491 /nfs/dbraw/zinc/51/04/91/525510491.db2.gz AOLJRXSICQOICW-UHFFFAOYSA-N 0 3 422.595 1.212 50 0 HDAAHN O=C(NCCN1CCCCCC1)c1nc(Cn2nc(-c3ccccc3)ccc2=O)no1 ZINC000040455235 526310396 /nfs/dbraw/zinc/31/03/96/526310396.db2.gz WGPBBWCBOFUVHZ-UHFFFAOYSA-N 0 3 422.489 1.947 50 0 HDAAHN O=C(CCN(CCCN1CCCCC1)S(=O)(=O)c1ccccc1)N1CCNCC1 ZINC000045945100 526474184 /nfs/dbraw/zinc/47/41/84/526474184.db2.gz WYUQCKJGDCCUHH-UHFFFAOYSA-N 0 3 422.595 1.375 50 0 HDAAHN O=C(CCNS(=O)(=O)c1cccnc1)NC1CCN(Cc2ccccc2)CC1 ZINC000032655474 526513128 /nfs/dbraw/zinc/51/31/28/526513128.db2.gz WSJNIPUVDWYAMS-UHFFFAOYSA-N 0 3 402.520 1.531 50 0 HDAAHN NS(=O)(=O)c1ccc(CCN[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000004682439 557580819 /nfs/dbraw/zinc/58/08/19/557580819.db2.gz FFUITZZYGCXRLQ-MRXNPFEDSA-N 0 3 407.879 1.452 50 0 HDAAHN COc1cccc(CN(C)CCn2ccnc2C)c1OC[C@H](O)CN1CCOCC1 ZINC000020205085 558346393 /nfs/dbraw/zinc/34/63/93/558346393.db2.gz HXGUCSMZFIEMRG-HXUWFJFHSA-N 0 3 418.538 1.404 50 0 HDAAHN COc1ccc(CN(CCO)CCO)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012297607 558367657 /nfs/dbraw/zinc/36/76/57/558367657.db2.gz IWEAHIKPGUDYLC-NRFANRHFSA-N 0 3 418.534 1.354 50 0 HDAAHN COC(=O)C1CCN(C[C@@H](O)COc2cccc(CNCc3cccnc3)c2)CC1 ZINC000012318727 558381482 /nfs/dbraw/zinc/38/14/82/558381482.db2.gz ASLJZVXOYKQVGJ-OAQYLSRUSA-N 0 3 413.518 1.996 50 0 HDAAHN COCCC(=O)N1CCC(Oc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000012582368 558432918 /nfs/dbraw/zinc/43/29/18/558432918.db2.gz IRTBMVLGUAWDPI-UHFFFAOYSA-N 0 3 403.523 1.919 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccn1 ZINC000013729042 558585615 /nfs/dbraw/zinc/58/56/15/558585615.db2.gz YPHHPHYYQNAXCD-QGZVFWFLSA-N 0 3 409.490 1.551 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccn1 ZINC000013729045 558585687 /nfs/dbraw/zinc/58/56/87/558585687.db2.gz YPHHPHYYQNAXCD-KRWDZBQOSA-N 0 3 409.490 1.551 50 0 HDAAHN CC(C)N(CCNCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)C(C)C ZINC000025539829 558643374 /nfs/dbraw/zinc/64/33/74/558643374.db2.gz HSMLGLFAFYJIHJ-UHFFFAOYSA-N 0 3 415.538 1.069 50 0 HDAAHN CC(C)[C@H]1NC(=O)[C@H]2CN(Cc3ccc(CN4CCCCC4)s3)CCN2C1=O ZINC000014536371 558658243 /nfs/dbraw/zinc/65/82/43/558658243.db2.gz VXBGHEIRBMEGPO-RTBURBONSA-N 0 3 404.580 1.901 50 0 HDAAHN Cn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@@H](NCc1cccc(F)c1)C2 ZINC000014733508 558666186 /nfs/dbraw/zinc/66/61/86/558666186.db2.gz LFGVQLNHYSVYAK-GOSISDBHSA-N 0 3 415.513 1.268 50 0 HDAAHN COc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CCN2CCCC2)cc1OC ZINC000035421507 558791156 /nfs/dbraw/zinc/79/11/56/558791156.db2.gz FVDZZZATJFMQDH-UHFFFAOYSA-N 0 3 418.538 1.064 50 0 HDAAHN Cc1cccc(CNC(=O)c2ccc(N3CCNCC3)c(NS(C)(=O)=O)c2)c1 ZINC000033034361 558858550 /nfs/dbraw/zinc/85/85/50/558858550.db2.gz OZCXOIWPOYCIKO-UHFFFAOYSA-N 0 3 402.520 1.706 50 0 HDAAHN CN(C)Cc1ccccc1CNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000058085751 558898213 /nfs/dbraw/zinc/89/82/13/558898213.db2.gz AMENKASECAZXNE-UHFFFAOYSA-N 0 3 415.559 1.909 50 0 HDAAHN COCCN1CCN(Cc2ccc(OC)c(OC[C@H](O)CN3CCCCC3)c2)CC1 ZINC000019608551 558946806 /nfs/dbraw/zinc/94/68/06/558946806.db2.gz IPZZZGWZCCWGFV-OAQYLSRUSA-N 0 3 421.582 1.685 50 0 HDAAHN CCn1c2ccccc2n(CC(=O)NCCCN2CCc3ccccc3C2)c(=O)c1=O ZINC000033068495 558962907 /nfs/dbraw/zinc/96/29/07/558962907.db2.gz KUJYOMUJTMANRO-UHFFFAOYSA-N 0 3 420.513 1.748 50 0 HDAAHN CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC1 ZINC000065362026 558972552 /nfs/dbraw/zinc/97/25/52/558972552.db2.gz RYJGPDQXOLUHHK-UHFFFAOYSA-N 0 3 423.579 1.838 50 0 HDAAHN O=C1N(CCc2ccccc2)CCC[C@@]1(O)CN1CCCN(c2ncccn2)CC1 ZINC000067804807 558993174 /nfs/dbraw/zinc/99/31/74/558993174.db2.gz GWPTUYJGIZHFKC-HSZRJFAPSA-N 0 3 409.534 1.585 50 0 HDAAHN CC(C)S(=O)(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082156945 559041498 /nfs/dbraw/zinc/04/14/98/559041498.db2.gz XDPSQNITVNIMLX-QGZVFWFLSA-N 0 3 408.568 1.612 50 0 HDAAHN CN1CCCC[C@H]1C(=O)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1 ZINC000091907765 559074555 /nfs/dbraw/zinc/07/45/55/559074555.db2.gz QDLYADVCJCTMQK-IBGZPJMESA-N 0 3 401.555 1.989 50 0 HDAAHN CN1CCN([C@H]2CCN(C(=O)c3nc4cc(F)ccc4[nH]3)C[C@H]2CCCO)CC1 ZINC000095385404 559080638 /nfs/dbraw/zinc/08/06/38/559080638.db2.gz CQMHLASGDDLFLP-BEFAXECRSA-N 0 3 403.502 1.553 50 0 HDAAHN CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000095496673 559081543 /nfs/dbraw/zinc/08/15/43/559081543.db2.gz DPMODWAXWBONKV-MRXNPFEDSA-N 0 3 402.470 1.089 50 0 HDAAHN CN1CCN(C[C@H](O)COc2ccc(CN3CC(N4CCCCC4)C3)cc2)CC1 ZINC000095521978 559085474 /nfs/dbraw/zinc/08/54/74/559085474.db2.gz VPEQCTFMMPIUPR-QFIPXVFZSA-N 0 3 402.583 1.344 50 0 HDAAHN CCc1cc(N2CCC(N[C@H](C)c3nc(C)no3)CC2)nc(N2CCOCC2)n1 ZINC000095531639 559087059 /nfs/dbraw/zinc/08/70/59/559087059.db2.gz SNVGMDRULSKQCP-CQSZACIVSA-N 0 3 401.515 1.887 50 0 HDAAHN COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccn3nnnc3c2)CC1 ZINC000096166253 559100984 /nfs/dbraw/zinc/10/09/84/559100984.db2.gz DANZXFYZSOCGAP-SFHVURJKSA-N 0 3 402.499 1.104 50 0 HDAAHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C ZINC000011998468 559270395 /nfs/dbraw/zinc/27/03/95/559270395.db2.gz UVCKXOZWTZBBGO-AWEZNQCLSA-N 0 3 417.553 1.070 50 0 HDAAHN CCN1CCC[C@H]1CN[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000103416378 560842051 /nfs/dbraw/zinc/84/20/51/560842051.db2.gz QNVUULNMKWCSKY-AEFFLSMTSA-N 0 3 408.568 1.872 50 0 HDAAHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000109047782 568421004 /nfs/dbraw/zinc/42/10/04/568421004.db2.gz WCEHUMBHGZCJFN-SJORKVTESA-N 0 3 408.568 1.719 50 0 HDAAHN CN1CCCN(c2ccc(CNC(=O)CCn3nnc4ccccc4c3=O)cn2)CC1 ZINC000048236112 568432974 /nfs/dbraw/zinc/43/29/74/568432974.db2.gz QHTDYBARFXNBJV-UHFFFAOYSA-N 0 3 421.505 1.035 50 0 HDAAHN CN1CCN(CCCNC(=O)CCCOc2cc(=O)n(C)c3ccccc23)CC1 ZINC000020280395 568596648 /nfs/dbraw/zinc/59/66/48/568596648.db2.gz UUJJCPWCBFKVDJ-UHFFFAOYSA-N 0 3 400.523 1.451 50 0 HDAAHN CN(C[C@H](O)CN1CCc2ccccc2CC1)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000095446576 568611941 /nfs/dbraw/zinc/61/19/41/568611941.db2.gz YHQJLKRKLSLEFQ-FQEVSTJZSA-N 0 3 416.543 1.624 50 0 HDAAHN CCN(CC)CCOC(=O)c1ccc(NC(C)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000020763972 568643039 /nfs/dbraw/zinc/64/30/39/568643039.db2.gz ZAJLJQFHDKAFCJ-UHFFFAOYSA-N 0 3 416.478 1.922 50 0 HDAAHN Cc1noc2ncn(CC(=O)NCC3CCN(Cc4ccc(F)cc4)CC3)c(=O)c12 ZINC000020941853 568652995 /nfs/dbraw/zinc/65/29/95/568652995.db2.gz LXZROWAZGWLOQN-UHFFFAOYSA-N 0 3 413.453 1.860 50 0 HDAAHN COCCN1CC[C@H](N2CCCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)C1=O ZINC000097078214 568767632 /nfs/dbraw/zinc/76/76/32/568767632.db2.gz OSJYJXBVLRMKOL-KRWDZBQOSA-N 0 3 417.535 1.533 50 0 HDAAHN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)C[C@H](C)O1 ZINC000003170998 568859513 /nfs/dbraw/zinc/85/95/13/568859513.db2.gz XDBPWDGWNAPYKQ-HOTGVXAUSA-N 0 3 409.552 1.651 50 0 HDAAHN O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCc2cn[nH]c2)CC1 ZINC000299779775 568874963 /nfs/dbraw/zinc/87/49/63/568874963.db2.gz SRPKURONECTVIO-HXUWFJFHSA-N 0 3 402.470 1.862 50 0 HDAAHN O=C(Cc1ccccc1F)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 ZINC000299782220 568875252 /nfs/dbraw/zinc/87/52/52/568875252.db2.gz SIHUVXIFLUOYND-IBGZPJMESA-N 0 3 403.498 1.729 50 0 HDAAHN Cc1cccc2nc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)CN(C4)CC5)cn21 ZINC000670450900 568926700 /nfs/dbraw/zinc/92/67/00/568926700.db2.gz CKDGKHHJTRHQAJ-IGSLEHJCSA-N 0 3 401.514 1.940 50 0 HDAAHN CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](CN3CCCCC3)[C@H]1[C@@H]2O ZINC000004083171 568939327 /nfs/dbraw/zinc/93/93/27/568939327.db2.gz VHWHLUAIVKKCCK-YFYCBITGSA-N 0 3 409.523 1.350 50 0 biogenic HDAAHN CC(C)[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000004084011 568939467 /nfs/dbraw/zinc/93/94/67/568939467.db2.gz KHXXCMYWWWENOE-GJYPPUQNSA-N 0 3 402.539 1.590 50 0 biogenic HDAAHN COc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c(C)c1C ZINC000015671241 568961865 /nfs/dbraw/zinc/96/18/65/568961865.db2.gz MBAQKHYXXHNZFT-UHFFFAOYSA-N 0 3 419.551 1.987 50 0 HDAAHN Cn1nc2c(c1C(=O)N[C@H]1C3CN4CC1(c1ccccc1)CN(C3)CC4)CCCC2 ZINC000670465159 568968745 /nfs/dbraw/zinc/96/87/45/568968745.db2.gz YNGGXARKFGJKBE-NZAVSEOKSA-N 0 3 405.546 1.596 50 0 HDAAHN COc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000012813901 568987844 /nfs/dbraw/zinc/98/78/44/568987844.db2.gz WOBGNQOLUXPJAV-UHFFFAOYSA-N 0 3 407.536 1.836 50 0 HDAAHN CCN1CCC[C@H]1CN(CC(=O)N1CCNCC1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000015864135 569016354 /nfs/dbraw/zinc/01/63/54/569016354.db2.gz MXAVENLRLIPHRM-FQEVSTJZSA-N 0 3 415.538 1.003 50 0 HDAAHN COc1cc(CNC(=O)C(C)S(=O)(=O)C2CCOCC2)ccc1OC(F)F ZINC000089478750 569061042 /nfs/dbraw/zinc/06/10/42/569061042.db2.gz ANCXJBPZTPCNIL-LLVKDONJSA-N 0 3 407.435 1.895 50 0 HDAAHN CCn1c2c(C(=O)NCCN(C)C)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064835911 569104517 /nfs/dbraw/zinc/10/45/17/569104517.db2.gz IXDQPANMPHUKDH-UHFFFAOYSA-N 0 3 422.533 1.366 50 0 HDAAHN CC1CCN(CCNC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)CC1 ZINC000064966888 569137615 /nfs/dbraw/zinc/13/76/15/569137615.db2.gz XDHFJIQMAODCDX-UHFFFAOYSA-N 0 3 405.886 1.046 50 0 HDAAHN CCS(=O)(=O)Nc1cnc(N2CCNCC2)c(C(=O)NCc2ccccc2)c1 ZINC000065025150 569156174 /nfs/dbraw/zinc/15/61/74/569156174.db2.gz AVCHMXALUDDMPN-UHFFFAOYSA-N 0 3 403.508 1.183 50 0 HDAAHN CN(C)S(=O)(=O)c1ccc(-c2nnc(C(=O)NCCCN3CCCCC3)o2)cc1 ZINC000065114000 569180893 /nfs/dbraw/zinc/18/08/93/569180893.db2.gz IBSPCIVHCMJIHF-UHFFFAOYSA-N 0 3 421.523 1.593 50 0 HDAAHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000170645330 569292013 /nfs/dbraw/zinc/29/20/13/569292013.db2.gz BDEAKUSBFYUAKV-QGZVFWFLSA-N 0 3 404.536 1.657 50 0 HDAAHN C[C@H](NCC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)c1ccccc1 ZINC000013040353 569408022 /nfs/dbraw/zinc/40/80/22/569408022.db2.gz HDGROSRDZIUFLA-HNNXBMFYSA-N 0 3 407.474 1.481 50 0 HDAAHN COc1ccc(CN2CCSCC2)cc1OC[C@H](O)CN1CCCN(C)CC1 ZINC000019791074 569429807 /nfs/dbraw/zinc/42/98/07/569429807.db2.gz FPBFAJQAPUPFIT-LJQANCHMSA-N 0 3 409.596 1.621 50 0 HDAAHN CCOC(=O)C1C(CN2CCN(C)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067285885 571064642 /nfs/dbraw/zinc/06/46/42/571064642.db2.gz JXMFDZIVRYBXDE-LJQANCHMSA-N 0 3 418.494 1.122 50 0 HDAAHN CCOc1ccc([C@H]2NC(=O)N=C(CN3CCCN(C)CC3)C2C(=O)OC)cc1 ZINC000067287211 571064920 /nfs/dbraw/zinc/06/49/20/571064920.db2.gz YGDKMQAADCQHSH-LJQANCHMSA-N 0 3 402.495 1.504 50 0 HDAAHN CCOc1ccccc1[C@@H]1NC(=O)NC(CN2CCCN(C)CC2)=C1C(=O)OC ZINC000067287913 571065839 /nfs/dbraw/zinc/06/58/39/571065839.db2.gz YGTHEMCWVYKOLB-IBGZPJMESA-N 0 3 402.495 1.504 50 0 HDAAHN Cc1c(C)n2c(nc3c2c(=O)n(C)c(=O)n3C)n1CCN1CCc2ccccc2C1 ZINC000008725400 571108182 /nfs/dbraw/zinc/10/81/82/571108182.db2.gz GZTWXTXWZNAFNB-UHFFFAOYSA-N 0 3 406.490 1.362 50 0 HDAAHN O=C(CCNC(=O)c1cccc(Cl)c1)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008913986 571150244 /nfs/dbraw/zinc/15/02/44/571150244.db2.gz UCROZUWVORGLRN-UHFFFAOYSA-N 0 3 401.898 1.847 50 0 HDAAHN CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008996696 571208729 /nfs/dbraw/zinc/20/87/29/571208729.db2.gz MEFPCADWLCGDLH-HNNXBMFYSA-N 0 3 417.535 1.518 50 0 HDAAHN CC1=NN(CCN2CCCCC2)c2nc3c(c(=O)n(CCC(C)C)c(=O)n3C)n2C1 ZINC000009059979 571217193 /nfs/dbraw/zinc/21/71/93/571217193.db2.gz CJSGTKVZXYEOSA-UHFFFAOYSA-N 0 3 415.542 1.625 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)CC1 ZINC000012586192 1075833640 /nfs/dbraw/zinc/83/36/40/1075833640.db2.gz LEHVBJSOPUVJQC-KRWDZBQOSA-N 0 3 404.555 1.500 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)c1nc(Cn2nc(-c3ccccc3)ccc2=O)no1 ZINC000040455194 521639016 /nfs/dbraw/zinc/63/90/16/521639016.db2.gz RMSJNADOPYVDHI-MRXNPFEDSA-N 0 3 408.462 1.556 50 0 HDAAHN C[NH+](C)[C@H]1CCN(CCN2CC3(CCN(C(=O)c4cccc([O-])c4)CC3)OC2=O)C1 ZINC000072470132 522104661 /nfs/dbraw/zinc/10/46/61/522104661.db2.gz DZFJBJWLMNBPDV-SFHVURJKSA-N 0 3 416.522 1.455 50 0 HDAAHN CC(C(=O)NC1CCCCC1)S(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000032929546 524167351 /nfs/dbraw/zinc/16/73/51/524167351.db2.gz ZFTOYQKKBRIOSS-AWEZNQCLSA-N 0 3 416.565 1.689 50 0 HDAAHN Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NC3CCN(Cc4ccccc4)CC3)n2)n1 ZINC000040267945 524477655 /nfs/dbraw/zinc/47/76/55/524477655.db2.gz ANJWYAGQHFLSRP-UHFFFAOYSA-N 0 3 420.517 1.827 50 0 HDAAHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1ccccc1 ZINC000009049238 535501874 /nfs/dbraw/zinc/50/18/74/535501874.db2.gz PPHWWJCJQDCCCJ-RBUKOAKNSA-N 0 3 407.474 1.610 50 0 HDAAHN Cn1ccc(CC(=O)N2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)c1 ZINC000019732527 558259742 /nfs/dbraw/zinc/25/97/42/558259742.db2.gz WTNGNFJHMKENES-DHIUTWEWSA-N 0 3 410.562 1.390 50 0 HDAAHN Cc1nnc(SCCNC(=O)C[C@@H]2C(=O)NCCN2CCCc2ccccc2)[nH]1 ZINC000011997024 558307182 /nfs/dbraw/zinc/30/71/82/558307182.db2.gz YEYPUTJHAMPJMH-QGZVFWFLSA-N 0 3 416.551 1.145 50 0 HDAAHN CCOC(=O)C[C@@H]1COCCN1C(=O)c1ccc(OC2CCN(C)CC2)c(OC)c1 ZINC000012027447 558310365 /nfs/dbraw/zinc/31/03/65/558310365.db2.gz JNHPQGJZRVPEMW-QGZVFWFLSA-N 0 3 420.506 1.962 50 0 HDAAHN COc1cccc([C@@]2(CC(=O)N(C)CC(C)C)CC(=O)N(CCN(C)C)C2=O)c1 ZINC000012037020 558312150 /nfs/dbraw/zinc/31/21/50/558312150.db2.gz VJQLVCGRNCEDEG-JOCHJYFZSA-N 0 3 403.523 1.758 50 0 HDAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1(C(N)=O)CC1 ZINC000012073006 558318207 /nfs/dbraw/zinc/31/82/07/558318207.db2.gz YCGJXKHJNYVKTH-QGZVFWFLSA-N 0 3 404.530 1.693 50 0 HDAAHN CCN1CCN(C[C@H](O)COc2cccc(CNCCn3nc(C)cc3C)c2)CC1 ZINC000020783807 558413580 /nfs/dbraw/zinc/41/35/80/558413580.db2.gz NQHPBQLKBHFGRF-QFIPXVFZSA-N 0 3 415.582 1.667 50 0 HDAAHN Cc1cccn2c(CNCCN3CCCC[C@@H]3CO)c(C(=O)N3CCOCC3)nc12 ZINC000020996361 558426752 /nfs/dbraw/zinc/42/67/52/558426752.db2.gz ZIHPTDVTNZTCHZ-GOSISDBHSA-N 0 3 415.538 1.052 50 0 HDAAHN COc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC1CCN(C(C)C)CC1 ZINC000012835947 558478089 /nfs/dbraw/zinc/47/80/89/558478089.db2.gz PSXHEZPNHRAKAG-INIZCTEOSA-N 0 3 410.536 1.864 50 0 HDAAHN COc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC1CCN(C(C)C)CC1 ZINC000012835945 558478202 /nfs/dbraw/zinc/47/82/02/558478202.db2.gz PSXHEZPNHRAKAG-MRXNPFEDSA-N 0 3 410.536 1.864 50 0 HDAAHN CN1CCC2(CC1)NC(=O)N(CN1CCN(Cc3ccc(Cl)s3)CC1)C2=O ZINC000023257529 558546554 /nfs/dbraw/zinc/54/65/54/558546554.db2.gz SDKQCUVHSMKLRQ-UHFFFAOYSA-N 0 3 411.959 1.493 50 0 HDAAHN COc1cccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)c1 ZINC000014741734 558667159 /nfs/dbraw/zinc/66/71/59/558667159.db2.gz OQQSUHMHGANRKR-JBACZVJFSA-N 0 3 409.486 1.470 50 0 HDAAHN COc1ccc(CN2C(=O)N(CC(C)C)C3(CCN(CCC(N)=O)CC3)C2=O)cc1 ZINC000014742279 558667432 /nfs/dbraw/zinc/66/74/32/558667432.db2.gz OYEOPDUTVYKZHV-UHFFFAOYSA-N 0 3 416.522 1.825 50 0 HDAAHN O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1F)N1CCN(C2CCCC2)CC1 ZINC000015075733 558715975 /nfs/dbraw/zinc/71/59/75/558715975.db2.gz GWTGJKRHQYNKPM-FQEVSTJZSA-N 0 3 402.514 1.603 50 0 HDAAHN COc1cc(CNCc2cnn(C)c2C)ccc1OC[C@H](O)CN1CCSCC1 ZINC000015076452 558716524 /nfs/dbraw/zinc/71/65/24/558716524.db2.gz WRNGPSPCQBMGGN-LJQANCHMSA-N 0 3 420.579 1.815 50 0 HDAAHN CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)cnc21 ZINC000029562932 558716813 /nfs/dbraw/zinc/71/68/13/558716813.db2.gz WUVINIPSJZRAFA-UHFFFAOYSA-N 0 3 421.501 1.889 50 0 HDAAHN CCN1CCN(CCNC(=O)CCC(=O)N2C[C@@H]3CCCN3c3ccccc32)CC1 ZINC000022937388 558724993 /nfs/dbraw/zinc/72/49/93/558724993.db2.gz SGEUSVJUOWXPSW-IBGZPJMESA-N 0 3 413.566 1.536 50 0 HDAAHN Cc1sc2ncn(CC(=O)NCCCC(=O)NCCN3CCCC3)c(=O)c2c1C ZINC000004563068 558732865 /nfs/dbraw/zinc/73/28/65/558732865.db2.gz SCZOQCSEPKAMJW-UHFFFAOYSA-N 0 3 419.551 1.183 50 0 HDAAHN C[C@@H]1C[C@H](C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1 ZINC000015377591 558736457 /nfs/dbraw/zinc/73/64/57/558736457.db2.gz RHGAIMFZYQHLAW-GASCZTMLSA-N 0 3 415.506 1.776 50 0 HDAAHN O=C(COCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCCN1CCCC1 ZINC000032987741 558807631 /nfs/dbraw/zinc/80/76/31/558807631.db2.gz WRBQPOLKUPEISF-UHFFFAOYSA-N 0 3 407.471 1.658 50 0 HDAAHN CCc1nnc(C(=O)Nc2cccc(C(=O)NCCCN3CCN(C)CC3)c2)s1 ZINC000033022444 558837516 /nfs/dbraw/zinc/83/75/16/558837516.db2.gz CRCAXMWBFKIRDZ-UHFFFAOYSA-N 0 3 416.551 1.720 50 0 HDAAHN CN1CC2(CCN(C[C@]3(O)CCCN(CCc4ccccc4)C3=O)CC2)OC1=O ZINC000067967955 558862260 /nfs/dbraw/zinc/86/22/60/558862260.db2.gz NDTWZOKXCJAIIQ-JOCHJYFZSA-N 0 3 401.507 1.499 50 0 HDAAHN COc1ccc(CN(C)Cc2ccccn2)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000019334501 558869399 /nfs/dbraw/zinc/86/93/99/558869399.db2.gz KNPWXGFGVNLJMI-NRFANRHFSA-N 0 3 414.550 1.709 50 0 HDAAHN CN(C)CCn1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)n1 ZINC000058151337 558902512 /nfs/dbraw/zinc/90/25/12/558902512.db2.gz VLPQLXZLBUVNDK-UHFFFAOYSA-N 0 3 403.464 1.004 50 0 HDAAHN CN[C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)N(C)Cc3nccs3)cc2C1 ZINC000077407633 559004226 /nfs/dbraw/zinc/00/42/26/559004226.db2.gz OPEPTADMPUDXNX-ZDUSSCGKSA-N 0 3 408.549 1.456 50 0 HDAAHN CCN1CCN(CCCN2CC3(CCN(C(=O)c4ccccn4)CC3)OC2=O)CC1 ZINC000077454099 559005693 /nfs/dbraw/zinc/00/56/93/559005693.db2.gz FUXQBLGTQHONNO-UHFFFAOYSA-N 0 3 415.538 1.536 50 0 HDAAHN CN(C)CC(=O)N1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000095527486 559086217 /nfs/dbraw/zinc/08/62/17/559086217.db2.gz KJXSJVWMRNOHCU-OAQYLSRUSA-N 0 3 400.567 1.958 50 0 HDAAHN Cc1ccc(C)c(Cn2c3c(nc2N2CCN(CC(C)C)CC2)n(C)c(=O)[nH]c3=O)c1 ZINC000005147921 559252757 /nfs/dbraw/zinc/25/27/57/559252757.db2.gz BHUXNXAXVNKBFW-UHFFFAOYSA-N 0 3 424.549 1.866 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000137288873 559279721 /nfs/dbraw/zinc/27/97/21/559279721.db2.gz VRCLJQBGOBULPA-RXVVDRJESA-N 0 3 420.513 1.991 50 0 HDAAHN CN1CCN(CCCN[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000101814126 560802395 /nfs/dbraw/zinc/80/23/95/560802395.db2.gz LSXVCRJOJJOTST-MRXNPFEDSA-N 0 3 409.328 1.308 50 0 HDAAHN CCCS(=O)(=O)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000575317026 560855466 /nfs/dbraw/zinc/85/54/66/560855466.db2.gz NYVQLERRJDIYJY-LJQANCHMSA-N 0 3 422.595 1.957 50 0 HDAAHN CCN1CCN(CCCNC(=O)CCC(=O)N2C[C@@H](C)Oc3ccccc32)CC1 ZINC000020466254 568610369 /nfs/dbraw/zinc/61/03/69/568610369.db2.gz NIQLNGUNPCYTRL-GOSISDBHSA-N 0 3 402.539 1.725 50 0 HDAAHN CCN1CCN(CCNC(=O)CCCc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000225385405 568633286 /nfs/dbraw/zinc/63/32/86/568633286.db2.gz HULBPIBCVPPMPA-UHFFFAOYSA-N 0 3 401.511 1.822 50 0 HDAAHN CCN1CCN(CCNC(=O)c2cccc(NC(=O)C3=CSCCO3)c2)CC1 ZINC000021019506 568658149 /nfs/dbraw/zinc/65/81/49/568658149.db2.gz PHANGOGSJJHHRB-UHFFFAOYSA-N 0 3 404.536 1.597 50 0 HDAAHN C[C@@H]1CN(CCC2CCN(C(=O)CNc3ccccc3C(N)=O)CC2)C[C@H](C)O1 ZINC000225707003 568666351 /nfs/dbraw/zinc/66/63/51/568666351.db2.gz SPTAYWSBOHWRCM-CALCHBBNSA-N 0 3 402.539 1.935 50 0 HDAAHN Cc1nn(C)c2ncc(CNC[C@@H]3CN(C(=O)c4ccccc4)[C@H]4CCN3C4)cc12 ZINC000095981125 568675312 /nfs/dbraw/zinc/67/53/12/568675312.db2.gz FKWPJFJARHSLQU-VQTJNVASSA-N 0 3 404.518 1.965 50 0 HDAAHN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)C[C@H](C)O1 ZINC000003170996 568859491 /nfs/dbraw/zinc/85/94/91/568859491.db2.gz XDBPWDGWNAPYKQ-IYBDPMFKSA-N 0 3 409.552 1.651 50 0 HDAAHN Cc1cc(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)ccc1[O-] ZINC000299780664 568875013 /nfs/dbraw/zinc/87/50/13/568875013.db2.gz AXXHNAIILKTHAT-HXUWFJFHSA-N 0 3 415.534 1.780 50 0 HDAAHN O=C(Cc1ccc2c(c1)OCO2)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670437229 568878320 /nfs/dbraw/zinc/87/83/20/568878320.db2.gz WSALSOSEVPPJSF-IMBKEICKSA-N 0 3 405.498 1.642 50 0 HDAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccccc1-n1cnnc1 ZINC000670441528 568895205 /nfs/dbraw/zinc/89/52/05/568895205.db2.gz XKMSRQRJIPYTHB-IGSLEHJCSA-N 0 3 414.513 1.565 50 0 HDAAHN CCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(C)c2)CC1 ZINC000004316498 568962182 /nfs/dbraw/zinc/96/21/82/568962182.db2.gz VBUGEDBNLOWUAT-UHFFFAOYSA-N 0 3 410.522 1.702 50 0 HDAAHN Cn1c(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCCCC1 ZINC000085878922 569009779 /nfs/dbraw/zinc/00/97/79/569009779.db2.gz RGBWMJSTQLDADF-MSOLQXFVSA-N 0 3 424.545 1.858 50 0 biogenic HDAAHN CC1CCN(c2nn3c(nc(=O)cc3C(=O)NCCN3CCCCCC3)s2)CC1 ZINC000064836387 569104656 /nfs/dbraw/zinc/10/46/56/569104656.db2.gz PWSPYJBOCYEGAE-UHFFFAOYSA-N 0 3 418.567 1.993 50 0 HDAAHN COc1ccc(-c2nn(CC(=O)NCCN3CCCC3)c(=O)c3noc(C)c32)cc1 ZINC000064842126 569106933 /nfs/dbraw/zinc/10/69/33/569106933.db2.gz ORNPEAMSPWUXBR-UHFFFAOYSA-N 0 3 411.462 1.581 50 0 HDAAHN CN(CCCNC(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O)Cc1ccccc1 ZINC000064950296 569129296 /nfs/dbraw/zinc/12/92/96/569129296.db2.gz XYVWOQVZMUGXNR-UHFFFAOYSA-N 0 3 400.504 1.551 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1 ZINC000065117640 569180574 /nfs/dbraw/zinc/18/05/74/569180574.db2.gz LUWFNGDDTQRYGU-AWEZNQCLSA-N 0 3 422.507 1.309 50 0 HDAAHN CC1CCN(CCNC(=O)CN2c3cc(F)ccc3C(=O)N3CCC[C@H]3C2=O)CC1 ZINC000065307026 569220922 /nfs/dbraw/zinc/22/09/22/569220922.db2.gz JHIDKXSSPDTUKR-SFHVURJKSA-N 0 3 416.497 1.625 50 0 HDAAHN Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000007451864 569239523 /nfs/dbraw/zinc/23/95/23/569239523.db2.gz IDQJCDMYJZGTOA-UHFFFAOYSA-N 0 3 424.505 1.228 50 0 HDAAHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000497355535 569282005 /nfs/dbraw/zinc/28/20/05/569282005.db2.gz YEPOPTXBSHXYQE-WFASDCNBSA-N 0 3 407.533 1.773 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000252571274 569294465 /nfs/dbraw/zinc/29/44/65/569294465.db2.gz XQZGFVDQBHBXOC-HZPDHXFCSA-N 0 3 416.478 1.421 50 0 HDAAHN COCCOCC(=O)N1CCC2(CC1)C[C@@H](N1CCN(CC(C)C)CC1)CCO2 ZINC000581819754 569320778 /nfs/dbraw/zinc/32/07/78/569320778.db2.gz IIBXFHXECMMHQK-FQEVSTJZSA-N 0 3 411.587 1.463 50 0 HDAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1CN(c2cc(-n3cccn3)ncn2)C1 ZINC000253473616 569381488 /nfs/dbraw/zinc/38/14/88/569381488.db2.gz WTFUZQTXLMYSHV-UHFFFAOYSA-N 0 3 417.517 1.879 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000253535037 569382796 /nfs/dbraw/zinc/38/27/96/569382796.db2.gz FDYKSRFLVHUALH-PKOBYXMFSA-N 0 3 416.522 1.743 50 0 HDAAHN CCN1CCN(C[C@@H](O)COc2cccc(CNCCN3CCCCC3=O)c2)CC1 ZINC000019744806 569429447 /nfs/dbraw/zinc/42/94/47/569429447.db2.gz WYPISUMKDNEBMU-OAQYLSRUSA-N 0 3 418.582 1.166 50 0 HDAAHN CC1=NN(CCN(C)Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000010108932 571295149 /nfs/dbraw/zinc/29/51/49/571295149.db2.gz WVQWXAFHYGFDFL-HNNXBMFYSA-N 0 3 409.494 1.323 50 0 HDAAHN CN(C)[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1cn(C)c2ccccc12 ZINC000077171668 571311832 /nfs/dbraw/zinc/31/18/32/571311832.db2.gz BYVUBOAFOTWJDB-IBGZPJMESA-N 0 3 406.552 1.569 50 0 HDAAHN Cc1cc(C)c(C(=O)N2CCC(CC(=O)NCCCN3CCN(C)CC3)CC2)[nH]1 ZINC000033024354 571315851 /nfs/dbraw/zinc/31/58/51/571315851.db2.gz NTWRAIGEPLSRSJ-UHFFFAOYSA-N 0 3 403.571 1.628 50 0 HDAAHN O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)N1CCN(c2ccncc2)CC1 ZINC000008122705 132327643 /nfs/dbraw/zinc/32/76/43/132327643.db2.gz WCESUTVHMOVSCS-UHFFFAOYSA-N 0 3 407.474 1.287 50 0 HDAAHN CCc1ccc(S(=O)(=O)N(CCN(CC)CC)CC(=O)N2CCNCC2)cc1 ZINC000045974280 524011120 /nfs/dbraw/zinc/01/11/20/524011120.db2.gz KUPPTCWVFRUVLX-UHFFFAOYSA-N 0 3 410.584 1.013 50 0 HDAAHN CC(C(=O)NC1CCCCC1)S(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000032929547 526033334 /nfs/dbraw/zinc/03/33/34/526033334.db2.gz ZFTOYQKKBRIOSS-CQSZACIVSA-N 0 3 416.565 1.689 50 0 HDAAHN C[C@H]1CCCCN1CCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(F)c1 ZINC000045966915 526249687 /nfs/dbraw/zinc/24/96/87/526249687.db2.gz PTEQJJBOAFDMDM-SFHVURJKSA-N 0 3 404.530 1.964 50 0 HDAAHN O=C(NC1CCN(Cc2ccccc2)CC1)N1CCN(C(=O)N2CCOCC2)CC1 ZINC000032779433 527531328 /nfs/dbraw/zinc/53/13/28/527531328.db2.gz SWDPHJUULNYEMR-UHFFFAOYSA-N 0 3 415.538 1.430 50 0 HDAAHN Cn1c2nc(N3CCNCC3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000000796262 557083108 /nfs/dbraw/zinc/08/31/08/557083108.db2.gz RFOQPGZBMDFBEQ-UHFFFAOYSA-N 0 3 404.474 1.045 50 0 HDAAHN NS(=O)(=O)c1ccc(CCN[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000006182961 557693275 /nfs/dbraw/zinc/69/32/75/557693275.db2.gz NFCPJMVIXFKRKY-QGZVFWFLSA-N 0 3 421.906 1.447 50 0 HDAAHN O=C(COc1ccc(Cl)cc1)NCC(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008743512 557804163 /nfs/dbraw/zinc/80/41/63/557804163.db2.gz OCDHXIHZEBGABM-UHFFFAOYSA-N 0 3 417.897 1.222 50 0 HDAAHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)cc1OC ZINC000011878448 558292797 /nfs/dbraw/zinc/29/27/97/558292797.db2.gz WESKFXJXCWZGBR-GOSISDBHSA-N 0 3 403.523 1.792 50 0 HDAAHN COc1cc(C)c(CN2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)cc1C ZINC000019837671 558293094 /nfs/dbraw/zinc/29/30/94/558293094.db2.gz UVDNRIVPKJUSNX-QGZVFWFLSA-N 0 3 413.522 1.615 50 0 HDAAHN COc1cccc(CNCCCc2cccnc2)c1OC[C@@H](O)CN1CCOCC1 ZINC000012307827 558376386 /nfs/dbraw/zinc/37/63/86/558376386.db2.gz JHAOXNJAJADDAX-NRFANRHFSA-N 0 3 415.534 1.885 50 0 HDAAHN O=C([C@H]1CCC(=O)N(CCc2ccccn2)C1)N1CCC(N2CCSCC2)CC1 ZINC000012320038 558382092 /nfs/dbraw/zinc/38/20/92/558382092.db2.gz NHSWPGVLVFNPQD-SFHVURJKSA-N 0 3 416.591 1.903 50 0 HDAAHN CC1CCN(Cc2nnnn2CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000012433053 558407106 /nfs/dbraw/zinc/40/71/06/558407106.db2.gz XDOANZAJIGBPGJ-FQEVSTJZSA-N 0 3 411.554 1.686 50 0 HDAAHN CN(C)CCNCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000022873064 558518063 /nfs/dbraw/zinc/51/80/63/558518063.db2.gz DRFFOLWIOWTKJF-UHFFFAOYSA-N 0 3 402.948 1.604 50 0 HDAAHN Cc1nc2ccc(S(=O)(=O)NCC(=O)NCCN3CCCC[C@@H]3C)cc2s1 ZINC000004435623 558559293 /nfs/dbraw/zinc/55/92/93/558559293.db2.gz UIIZPYOEMZQREE-ZDUSSCGKSA-N 0 3 410.565 1.874 50 0 HDAAHN NC(=O)c1cc(NC(=O)CN2CCCN(Cc3ccccc3)CC2)cc(C(N)=O)c1 ZINC000022934555 558653399 /nfs/dbraw/zinc/65/33/99/558653399.db2.gz GHXOEPXJHCGDRE-UHFFFAOYSA-N 0 3 409.490 1.031 50 0 HDAAHN O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2ccc(O)cc2)C1 ZINC000014743936 558668006 /nfs/dbraw/zinc/66/80/06/558668006.db2.gz HUYKNIOMAKLSMQ-KCZVDYSFSA-N 0 3 417.550 1.458 50 0 HDAAHN CN1CCN(CCCNC(=O)c2ccc(CN3c4ccnn4CCC3=O)cc2)CC1 ZINC000022937085 558675287 /nfs/dbraw/zinc/67/52/87/558675287.db2.gz VHJNPWYFSNMFHB-UHFFFAOYSA-N 0 3 410.522 1.187 50 0 HDAAHN Cc1nn(-c2ccc(C)cc2)c2c1nc(CCC(=O)NCCN1CCCC1)c(=O)n2C ZINC000015779891 558753126 /nfs/dbraw/zinc/75/31/26/558753126.db2.gz FNMAVJUZLACCOX-UHFFFAOYSA-N 0 3 422.533 1.881 50 0 HDAAHN CCN1CCN(CCCNC(=O)[C@@H]2CCCN(C(=O)c3[nH]c(C)c(C)c3C)C2)CC1 ZINC000035482197 558792940 /nfs/dbraw/zinc/79/29/40/558792940.db2.gz OGBADUOMAVKDGN-HXUWFJFHSA-N 0 3 417.598 1.936 50 0 HDAAHN CCN1CCN(C2CCN(c3nc4nonc4nc3N3CCSCC3)CC2)CC1 ZINC000019337188 558870345 /nfs/dbraw/zinc/87/03/45/558870345.db2.gz HBUGOTAWNXENNJ-UHFFFAOYSA-N 0 3 418.571 1.172 50 0 HDAAHN CC[C@@H](CN(C)Cc1ccccc1)NC(=O)Cn1c2ccccc2n(C)c(=O)c1=O ZINC000021943848 558979555 /nfs/dbraw/zinc/97/95/55/558979555.db2.gz OBEPYEKMHKQJNS-SFHVURJKSA-N 0 3 408.502 1.727 50 0 HDAAHN O=C(COc1cccc(-n2cnnn2)c1)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000072474247 558983700 /nfs/dbraw/zinc/98/37/00/558983700.db2.gz WBKIPCUMGIRADK-LJQANCHMSA-N 0 3 406.490 1.864 50 0 HDAAHN CCCCN1CCN([C@@H](C(=O)N2CCCN(CC)CC2)c2ccccc2)C(=O)C1=O ZINC000077393318 559003658 /nfs/dbraw/zinc/00/36/58/559003658.db2.gz NNBIBWFGFWXFBS-HXUWFJFHSA-N 0 3 414.550 1.753 50 0 HDAAHN COCCN(C)CCN1CC2(CCN(C(=O)Cc3c(C)noc3C)CC2)OC1=O ZINC000077470423 559006490 /nfs/dbraw/zinc/00/64/90/559006490.db2.gz SEDBCXIGYAOCOL-UHFFFAOYSA-N 0 3 408.499 1.226 50 0 HDAAHN COc1ccc2cc(C(=O)N3C[C@H](CO)[C@H](CN4CCC(O)CC4)C3)n(C)c2c1 ZINC000091694755 559073124 /nfs/dbraw/zinc/07/31/24/559073124.db2.gz VZWYOJTXRLZMIW-IAGOWNOFSA-N 0 3 401.507 1.324 50 0 HDAAHN O=C(NCc1nnn[n-]1)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091755865 559073518 /nfs/dbraw/zinc/07/35/18/559073518.db2.gz WMUKPSGTVBXYOG-SFHVURJKSA-N 0 3 409.538 1.160 50 0 HDAAHN O=C(NCc1nnn[n-]1)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091755865 559073520 /nfs/dbraw/zinc/07/35/20/559073520.db2.gz WMUKPSGTVBXYOG-SFHVURJKSA-N 0 3 409.538 1.160 50 0 HDAAHN O=C(NCc1nn[n-]n1)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091755865 559073522 /nfs/dbraw/zinc/07/35/22/559073522.db2.gz WMUKPSGTVBXYOG-SFHVURJKSA-N 0 3 409.538 1.160 50 0 HDAAHN O=C(NCc1nn[n-]n1)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091755865 559073524 /nfs/dbraw/zinc/07/35/24/559073524.db2.gz WMUKPSGTVBXYOG-SFHVURJKSA-N 0 3 409.538 1.160 50 0 HDAAHN Cc1ccc([C@@H]2CN(C(=O)c3c[nH]nc3-n3cnnn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095522209 559085464 /nfs/dbraw/zinc/08/54/64/559085464.db2.gz WFCRAUNOOABOPS-IPMKNSEASA-N 0 3 404.478 1.396 50 0 HDAAHN COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](N)C1CCCCC1)CC2 ZINC000095526908 559086163 /nfs/dbraw/zinc/08/61/63/559086163.db2.gz GXUGWWKRTSPOPC-GOSISDBHSA-N 0 3 403.527 1.166 50 0 HDAAHN Cc1nnc(CNC(=O)[C@H]2[C@@H]3CN(Cc4cnc(-c5ccccc5C)nc4)C[C@@H]32)[nH]1 ZINC000102831629 559153113 /nfs/dbraw/zinc/15/31/13/559153113.db2.gz MTAKMNRVPYAORA-RUYXUALKSA-N 0 3 403.490 1.873 50 0 HDAAHN Cc1ccccc1S(=O)(=O)N(CCN1CCCC[C@H]1C)CC(=O)N1CCNCC1 ZINC000105856426 560877848 /nfs/dbraw/zinc/87/78/48/560877848.db2.gz IQJPNGHQNPHHIF-LJQANCHMSA-N 0 3 422.595 1.292 50 0 HDAAHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CN(S(=O)(=O)c3ccccc3)[C@H]3CCN2C3)n1 ZINC000108367099 568418661 /nfs/dbraw/zinc/41/86/61/568418661.db2.gz GGJVPUBVCFHIAD-IRXDYDNUSA-N 0 3 402.520 1.333 50 0 HDAAHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000109047785 568420921 /nfs/dbraw/zinc/42/09/21/568420921.db2.gz WCEHUMBHGZCJFN-IRXDYDNUSA-N 0 3 408.568 1.719 50 0 HDAAHN O=C(Nc1cccc(-n2cnnc2)c1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000049550472 568451940 /nfs/dbraw/zinc/45/19/40/568451940.db2.gz SJCFARYEMXRQQT-UHFFFAOYSA-N 0 3 404.474 1.987 50 0 HDAAHN Cn1c(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)nc2n(C)c1=O ZINC000024556054 568512650 /nfs/dbraw/zinc/51/26/50/568512650.db2.gz KSGPPPSYSNMGKV-SFHVURJKSA-N 0 3 407.474 1.199 50 0 HDAAHN CCOC(=O)C1C(CN2CCN(C)CC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214433 568594784 /nfs/dbraw/zinc/59/47/84/568594784.db2.gz AUYXVKBTMCFMTG-FQEVSTJZSA-N 0 3 416.522 1.892 50 0 HDAAHN CCn1c(=O)cc(SCC(=O)NCCCN2CCN(C)CC2)c2ccccc21 ZINC000020285084 568596880 /nfs/dbraw/zinc/59/68/80/568596880.db2.gz MHUWGTIHNLXKIF-UHFFFAOYSA-N 0 3 402.564 1.867 50 0 HDAAHN CC1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCN3CCCCC3)C2)CC1 ZINC000020389255 568603905 /nfs/dbraw/zinc/60/39/05/568603905.db2.gz RTYXKAGODPRMDG-GOSISDBHSA-N 0 3 400.589 1.277 50 0 HDAAHN CN1CCN(CCCNC(=O)CCCn2c3ccccc3n3cccc3c2=O)CC1 ZINC000020489778 568614224 /nfs/dbraw/zinc/61/42/24/568614224.db2.gz AHQQZQURWJZWBY-UHFFFAOYSA-N 0 3 409.534 1.788 50 0 HDAAHN C[C@H](C(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1)n1nnnc1C(C)(C)C ZINC000095993005 568678046 /nfs/dbraw/zinc/67/80/46/568678046.db2.gz PHBJJIZLVQYXDD-ZBFHGGJFSA-N 0 3 413.526 1.868 50 0 HDAAHN C[C@@H](C(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1)n1nnnc1C(C)(C)C ZINC000095993004 568678148 /nfs/dbraw/zinc/67/81/48/568678148.db2.gz PHBJJIZLVQYXDD-HOCLYGCPSA-N 0 3 413.526 1.868 50 0 HDAAHN CCOC(=O)C1=C(CNCCN2CCOCC2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000096299609 568722640 /nfs/dbraw/zinc/72/26/40/568722640.db2.gz SVNFNMQDMIJRCH-FQEVSTJZSA-N 0 3 416.522 1.396 50 0 HDAAHN CCN1CCN(c2nc(N3CCN(C4CCCCC4)CC3)nc3c2cnn3C)CC1 ZINC000021930125 568761577 /nfs/dbraw/zinc/76/15/77/568761577.db2.gz XOZCBXYFYROCKO-UHFFFAOYSA-N 0 3 412.586 1.960 50 0 HDAAHN O=C([C@@H]1CCC(=O)N1S(=O)(=O)c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000021940481 568763110 /nfs/dbraw/zinc/76/31/10/568763110.db2.gz XWJRWVGASSLKAM-IBGZPJMESA-N 0 3 419.547 1.843 50 0 HDAAHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000055407051 568774359 /nfs/dbraw/zinc/77/43/59/568774359.db2.gz WCEHUMBHGZCJFN-IAGOWNOFSA-N 0 3 408.568 1.719 50 0 HDAAHN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)C3CCN(C)CC3)c2)C[C@@H](C)O1 ZINC000003216007 568846881 /nfs/dbraw/zinc/84/68/81/568846881.db2.gz MMHFWSFOBJBQJU-HZPDHXFCSA-N 0 3 409.552 1.651 50 0 HDAAHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccc(C(=O)NCc3cccnc3)cc2)CC1 ZINC000299758513 568872877 /nfs/dbraw/zinc/87/28/77/568872877.db2.gz LZUQDVGPOTWQDK-NRFANRHFSA-N 0 3 407.518 1.930 50 0 HDAAHN O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCc2cn[nH]c2)CC1 ZINC000299779761 568874991 /nfs/dbraw/zinc/87/49/91/568874991.db2.gz SRPKURONECTVIO-FQEVSTJZSA-N 0 3 402.470 1.862 50 0 HDAAHN O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccc([O-])cc1 ZINC000299791536 568875865 /nfs/dbraw/zinc/87/58/65/568875865.db2.gz GOPAOQOGDLWTLZ-FQEVSTJZSA-N 0 3 401.507 1.471 50 0 HDAAHN Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCN4CCCC4)C3)ccc21 ZINC000015784491 568922562 /nfs/dbraw/zinc/92/25/62/568922562.db2.gz VWLMZEHMTXPECR-SFHVURJKSA-N 0 3 418.563 1.791 50 0 HDAAHN CC(C)C[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2)CC1 ZINC000004082604 568939355 /nfs/dbraw/zinc/93/93/55/568939355.db2.gz DUXKKYVONSOZKS-KSSFIOAISA-N 0 3 406.502 1.881 50 0 biogenic HDAAHN O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670462975 568953303 /nfs/dbraw/zinc/95/33/03/568953303.db2.gz UWQDVROMTFPFPT-XAHYOPIXSA-N 0 3 418.497 1.278 50 0 HDAAHN Cn1cnc2cc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)CN(C4)CC5)ccc21 ZINC000670470031 568984697 /nfs/dbraw/zinc/98/46/97/568984697.db2.gz HLNAMISISNMZRQ-IGSLEHJCSA-N 0 3 401.514 1.871 50 0 HDAAHN CN(C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1)C1CCN(C)CC1 ZINC000241897322 569055003 /nfs/dbraw/zinc/05/50/03/569055003.db2.gz TXRNBNBHXZNNLE-HKUYNNGSSA-N 0 3 408.568 1.240 50 0 HDAAHN CC(C)C(=O)N1CCn2nc(CNC3CCN(C(=O)[C@@H]4CCCO4)CC3)cc2C1 ZINC000426510213 569073228 /nfs/dbraw/zinc/07/32/28/569073228.db2.gz LZKRCBTVSQZFLP-IBGZPJMESA-N 0 3 403.527 1.141 50 0 HDAAHN CC(C)C(=O)N1CCn2nc(CNC3CCN(C(=O)[C@H]4CCCO4)CC3)cc2C1 ZINC000426510216 569073299 /nfs/dbraw/zinc/07/32/99/569073299.db2.gz LZKRCBTVSQZFLP-LJQANCHMSA-N 0 3 403.527 1.141 50 0 HDAAHN CN(C)CCNC(=O)[C@@H]1CCCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)C1 ZINC000064928783 569123698 /nfs/dbraw/zinc/12/36/98/569123698.db2.gz QNTLPJAMUWYLHL-OAHLLOKOSA-N 0 3 403.914 1.780 50 0 HDAAHN CCCNc1cc(N2CCC[C@H](CCC(=O)NCCN3CCN(C)CC3)C2)ncn1 ZINC000065244910 569204997 /nfs/dbraw/zinc/20/49/97/569204997.db2.gz XSRNRCMSPONCBV-LJQANCHMSA-N 0 3 417.602 1.659 50 0 HDAAHN CN1CCN(CCNC(=O)c2cccc(N3CCN[C@H](c4ccccc4)C3)n2)CC1 ZINC000065256359 569208442 /nfs/dbraw/zinc/20/84/42/569208442.db2.gz WCSDFYPXZWGBNT-NRFANRHFSA-N 0 3 408.550 1.210 50 0 HDAAHN Cn1nccc1C(=O)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581819848 569321017 /nfs/dbraw/zinc/32/10/17/569321017.db2.gz OONZXVWEQSQHBY-LJQANCHMSA-N 0 3 424.549 1.791 50 0 HDAAHN CCS(=O)(=O)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581820214 569321154 /nfs/dbraw/zinc/32/11/54/569321154.db2.gz YJZQCZKBZGRXQD-GOSISDBHSA-N 0 3 408.568 1.567 50 0 HDAAHN CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@H]1c1ccc(F)c(F)c1 ZINC000067286124 571064577 /nfs/dbraw/zinc/06/45/77/571064577.db2.gz QHEJDAMIQQGUJP-SFHVURJKSA-N 0 3 408.449 1.773 50 0 HDAAHN O=C(CCNC(=O)c1ccc(Cl)cc1)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000009060026 571217149 /nfs/dbraw/zinc/21/71/49/571217149.db2.gz REHBZGUNJJANAS-UHFFFAOYSA-N 0 3 401.898 1.847 50 0 HDAAHN COc1ccc(-c2cc3c(=O)n(CC(=O)NCCN4CCCC[C@H]4C)ncn3n2)cc1 ZINC000009727394 571282531 /nfs/dbraw/zinc/28/25/31/571282531.db2.gz QQAZPTAMPNYWFK-MRXNPFEDSA-N 0 3 424.505 1.557 50 0 HDAAHN Cn1c2ncn(CCN(CCc3ccccc3)Cc3cccnc3)c2c(=O)n(C)c1=O ZINC000429285172 1075820671 /nfs/dbraw/zinc/82/06/71/1075820671.db2.gz NQRWCIHSTXVXDO-UHFFFAOYSA-N 0 3 418.501 1.574 50 0 HDAAHN Cc1ccnc(CC(=O)N2CCOC3(CCN(C(=O)[C@@H]4CCCN4C)CC3)C2)c1 ZINC000823783369 1076219083 /nfs/dbraw/zinc/21/90/83/1076219083.db2.gz BTKRKZZIFMNRIT-IBGZPJMESA-N 0 3 400.523 1.247 50 0 HDAAHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1ccccc1 ZINC000009302999 132338176 /nfs/dbraw/zinc/33/81/76/132338176.db2.gz SSORFDQKYNLYPR-SJORKVTESA-N 0 3 408.462 1.005 50 0 HDAAHN CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCCCC[NH+]3CCCC3)c2)n1 ZINC000041784211 523739014 /nfs/dbraw/zinc/73/90/14/523739014.db2.gz QFCPMGBNZSPGRS-UHFFFAOYSA-N 0 3 411.506 1.930 50 0 HDAAHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1ccccc1 ZINC000010385662 535502862 /nfs/dbraw/zinc/50/28/62/535502862.db2.gz SSORFDQKYNLYPR-DLBZAZTESA-N 0 3 408.462 1.005 50 0 HDAAHN O[C@H](CNCc1ccco1)COc1ccc(OC[C@@H](O)CNCc2ccco2)cc1 ZINC000004200641 557528329 /nfs/dbraw/zinc/52/83/29/557528329.db2.gz DEKFRJPLJRRDIF-HDICACEKSA-N 0 3 416.474 1.932 50 0 HDAAHN CCn1cc(CNCc2ccc(OC[C@@H](O)CN3CCSCC3)c(OC)c2)cn1 ZINC000011813447 558277981 /nfs/dbraw/zinc/27/79/81/558277981.db2.gz RHIFZISYZWLNNB-IBGZPJMESA-N 0 3 420.579 1.990 50 0 HDAAHN COC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1ccccc1 ZINC000019818008 558288090 /nfs/dbraw/zinc/28/80/90/558288090.db2.gz NSAZRCMDPIAHQB-VQTJNVASSA-N 0 3 406.486 1.821 50 0 HDAAHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](N(CCO)Cc1ccccc1)C2 ZINC000020534346 558385532 /nfs/dbraw/zinc/38/55/32/558385532.db2.gz MEICPYANCPTQDU-GOSISDBHSA-N 0 3 414.575 1.961 50 0 HDAAHN COc1cc(C(=O)NCCN2CCCC[C@@H]2CO)ccc1OC1CCN(C)CC1 ZINC000012439225 558410832 /nfs/dbraw/zinc/41/08/32/558410832.db2.gz XLFKKGHMTCMRBW-GOSISDBHSA-N 0 3 405.539 1.745 50 0 HDAAHN O=C(C[C@H]1C(=O)NCCN1CCCc1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000012712170 558453353 /nfs/dbraw/zinc/45/33/53/558453353.db2.gz NKCFIJCSZTWVME-QFIPXVFZSA-N 0 3 421.545 1.554 50 0 HDAAHN CCN(CC)[C@@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000022758710 558508209 /nfs/dbraw/zinc/50/82/09/558508209.db2.gz MGBKJNWGSHQWML-SFHVURJKSA-N 0 3 409.490 1.445 50 0 HDAAHN COc1ccc(CN2CCC(CCO)CC2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000023375372 558554903 /nfs/dbraw/zinc/55/49/03/558554903.db2.gz NEMIYFIDGWWJDF-OAQYLSRUSA-N 0 3 421.582 1.277 50 0 HDAAHN COc1cc(CN2CCN(CC3CC3)CC2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000023375489 558554958 /nfs/dbraw/zinc/55/49/58/558554958.db2.gz JOVGEHZTQFGLRZ-NRFANRHFSA-N 0 3 419.566 1.295 50 0 HDAAHN Cc1nn(C)cc1CN1CCC2(CC1)C(=O)N(CCCc1ccncc1)C(=O)N2C ZINC000014536431 558658195 /nfs/dbraw/zinc/65/81/95/558658195.db2.gz UDYFDESCKPEQOC-UHFFFAOYSA-N 0 3 410.522 1.985 50 0 HDAAHN Cc1c(CN2CCC3(CC2)C(=O)N(CCN(C)C)C(=O)N3CCC(C)C)cnn1C ZINC000014540367 558659624 /nfs/dbraw/zinc/65/96/24/558659624.db2.gz CQMHCGQYPKQSLX-UHFFFAOYSA-N 0 3 418.586 1.935 50 0 HDAAHN COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN([C@@H](C)COC)CC2 ZINC000014542250 558660365 /nfs/dbraw/zinc/66/03/65/558660365.db2.gz DPUVMTRPEIOFEW-KRWDZBQOSA-N 0 3 419.522 1.975 50 0 HDAAHN COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN([C@@H](C)COC)CC2 ZINC000014751857 558671133 /nfs/dbraw/zinc/67/11/33/558671133.db2.gz HNQLIGKXWOHCHE-KRWDZBQOSA-N 0 3 415.534 1.934 50 0 HDAAHN COc1cccc(C(=O)N(CCC(=O)N2CCNCC2)CCN2CCCC[C@@H]2C)c1 ZINC000035422023 558791746 /nfs/dbraw/zinc/79/17/46/558791746.db2.gz FRJHCIFVQOKSIF-IBGZPJMESA-N 0 3 416.566 1.834 50 0 HDAAHN COc1cccc(C(=O)N(CCC(=O)N2CCNCC2)CCN2CCCCC2)c1 ZINC000035422051 558791767 /nfs/dbraw/zinc/79/17/67/558791767.db2.gz AKUWRUHXNAQJNZ-UHFFFAOYSA-N 0 3 402.539 1.445 50 0 HDAAHN COc1ccc(CN2CCC(OC)CC2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000019226145 558852868 /nfs/dbraw/zinc/85/28/68/558852868.db2.gz DCZKHBJIEBLRJJ-IBGZPJMESA-N 0 3 407.555 1.293 50 0 HDAAHN CN1CCCN(c2ccc(CNC(=O)CCc3nc(-c4ccccn4)no3)cn2)CC1 ZINC000058101175 558898853 /nfs/dbraw/zinc/89/88/53/558898853.db2.gz YJSIQZWHPABONE-UHFFFAOYSA-N 0 3 421.505 1.918 50 0 HDAAHN CCNc1cc(N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)nc(C)n1 ZINC000065364849 558976010 /nfs/dbraw/zinc/97/60/10/558976010.db2.gz OVEYWVRLKLBERR-UHFFFAOYSA-N 0 3 421.523 1.745 50 0 HDAAHN Cc1ccc(CN2CC[C@H](CNC(=O)Cn3c4ccccc4n(C)c(=O)c3=O)C2)cc1 ZINC000021943826 558979576 /nfs/dbraw/zinc/97/95/76/558979576.db2.gz CJPXPKYKTYNQDZ-LJQANCHMSA-N 0 3 420.513 1.647 50 0 HDAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000067612691 558988916 /nfs/dbraw/zinc/98/89/16/558988916.db2.gz PXVODVIQWTVRDC-UHFFFAOYSA-N 0 3 408.550 1.818 50 0 HDAAHN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000067629574 558990216 /nfs/dbraw/zinc/99/02/16/558990216.db2.gz HCFUJVFCAMMVAG-MRXNPFEDSA-N 0 3 424.567 1.617 50 0 HDAAHN CS[C@H]1CN(S(=O)(=O)CCC(=O)OCc2ccccc2)C[C@@H]1N1CCCC1 ZINC000097097545 558992404 /nfs/dbraw/zinc/99/24/04/558992404.db2.gz SKHGGXJYVIMRPW-ROUUACIJSA-N 0 3 412.577 1.961 50 0 HDAAHN COCCN(C)CCN1CC2(CCN(C(=O)c3ncc(F)cc3F)CC2)OC1=O ZINC000077470017 559006345 /nfs/dbraw/zinc/00/63/45/559006345.db2.gz NFGLYZQRNYCNHU-UHFFFAOYSA-N 0 3 412.437 1.365 50 0 HDAAHN CCCS(=O)(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082138444 559040484 /nfs/dbraw/zinc/04/04/84/559040484.db2.gz GRPMUKXJAUDSQI-QGZVFWFLSA-N 0 3 408.568 1.614 50 0 HDAAHN CN(C)C(=O)CN1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000095501437 559082452 /nfs/dbraw/zinc/08/24/52/559082452.db2.gz FYJFNSUGGABDNW-OAQYLSRUSA-N 0 3 400.567 1.958 50 0 HDAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000095521512 559085366 /nfs/dbraw/zinc/08/53/66/559085366.db2.gz ILCGOZPWZLTWBN-UHFFFAOYSA-N 0 3 403.932 1.434 50 0 HDAAHN CN1CCN(C[C@@H](O)COc2ccc(CN3CCOC4(CCCC4)C3)cc2)CC1 ZINC000095531296 559087076 /nfs/dbraw/zinc/08/70/76/559087076.db2.gz SLQBYVLFFUHLGV-OAQYLSRUSA-N 0 3 403.567 1.819 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN([C@@H]2CC(=O)N(c3cccc(F)c3)C2=O)CC1 ZINC000100152874 559130904 /nfs/dbraw/zinc/13/09/04/559130904.db2.gz QZIKMTSBJFAIGO-QGZVFWFLSA-N 0 3 402.470 1.263 50 0 HDAAHN COc1cccc(C2=NO[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@H]3C(=O)N(CCN(C)C)C(=O)[C@@H]32)c1OC ZINC000248010196 559259197 /nfs/dbraw/zinc/25/91/97/559259197.db2.gz PDGGZHFADDVANG-ZFUMWYBOSA-N 0 3 413.474 1.235 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000137288801 559279687 /nfs/dbraw/zinc/27/96/87/559279687.db2.gz VRCLJQBGOBULPA-NQIIRXRSSA-N 0 3 420.513 1.991 50 0 HDAAHN Cn1cnc(C(=O)N2CCC3(CC2)C[C@H](N2CCN(c4ccccn4)CC2)CCO3)c1 ZINC000575316634 560855477 /nfs/dbraw/zinc/85/54/77/560855477.db2.gz BJJFABXJNVBBPX-LJQANCHMSA-N 0 3 424.549 1.791 50 0 HDAAHN Cc1cc(C)n2nc(C(=O)NCCCN3CCN(C)C[C@H]3c3ccccc3)nc2n1 ZINC000109025641 568420822 /nfs/dbraw/zinc/42/08/22/568420822.db2.gz YFXLRJKPBPDTGJ-IBGZPJMESA-N 0 3 407.522 1.850 50 0 HDAAHN O[C@H](COc1ccccc1CNCCN1CCC(O)CC1)CN1CCSCC1 ZINC000020999164 568453882 /nfs/dbraw/zinc/45/38/82/568453882.db2.gz HMNJTSRVCNLZLB-FQEVSTJZSA-N 0 3 409.596 1.021 50 0 HDAAHN COc1ccc(NC(=O)c2nnc(COCC(=O)NCCN3CCCC3)s2)cc1 ZINC000032987407 568510510 /nfs/dbraw/zinc/51/05/10/568510510.db2.gz FUHMOHJDODBZRJ-UHFFFAOYSA-N 0 3 419.507 1.528 50 0 HDAAHN CCN(CC)CCNC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(CC)CC1 ZINC000020287886 568597220 /nfs/dbraw/zinc/59/72/20/568597220.db2.gz OAHJPOATIDDZAC-PKOBYXMFSA-N 0 3 423.627 1.389 50 0 HDAAHN CCN1CCN(CCCNC(=O)CN2C(=O)CSc3nc(C)cc(C)c32)CC1 ZINC000020415205 568605907 /nfs/dbraw/zinc/60/59/07/568605907.db2.gz CTRHDVMFUDMITF-UHFFFAOYSA-N 0 3 405.568 1.281 50 0 HDAAHN Cc1c(C(=O)NCCCN2CCN(C)CC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000020489110 568614131 /nfs/dbraw/zinc/61/41/31/568614131.db2.gz FJRNWILVZCMBFT-UHFFFAOYSA-N 0 3 417.579 1.860 50 0 HDAAHN CCN1CCN(CCCNC(=O)CCn2c(=O)c3cccn3c3cccnc32)CC1 ZINC000020512742 568621855 /nfs/dbraw/zinc/62/18/55/568621855.db2.gz QBTCJTRAQFBSTK-UHFFFAOYSA-N 0 3 410.522 1.183 50 0 HDAAHN COc1ccc(S(=O)(=O)N2CCC(NC(=O)NCCN3CCCCC3)CC2)cc1 ZINC000020869285 568647186 /nfs/dbraw/zinc/64/71/86/568647186.db2.gz VBEXUEBRZZVASI-UHFFFAOYSA-N 0 3 424.567 1.633 50 0 HDAAHN CN1CCN(CCCNC(=O)c2cccn2-c2nnc(N3CCCC3)s2)CC1 ZINC000020980793 568654570 /nfs/dbraw/zinc/65/45/70/568654570.db2.gz KYHRICNZQPSUCA-UHFFFAOYSA-N 0 3 403.556 1.296 50 0 HDAAHN C[C@@H]1[C@@H](NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CCCN1C ZINC000096010240 568683717 /nfs/dbraw/zinc/68/37/17/568683717.db2.gz NFXLZIZQVZTWTK-DOMZBBRYSA-N 0 3 418.357 1.716 50 0 HDAAHN Cn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCCN1CCN(C)CC1 ZINC000021529836 568710371 /nfs/dbraw/zinc/71/03/71/568710371.db2.gz WOJWYMWRQHHWTF-UHFFFAOYSA-N 0 3 415.513 1.812 50 0 HDAAHN CCN1CCN(CCCNC(=O)c2cccn2-c2nnc(N3CCCC3)s2)CC1 ZINC000021535237 568711816 /nfs/dbraw/zinc/71/18/16/568711816.db2.gz PEHGTKNJXBWBHO-UHFFFAOYSA-N 0 3 417.583 1.686 50 0 HDAAHN Cc1cc(C)c2c(-n3cccc3)nn(CC(=O)NCCCN3CCN(C)CC3)c2n1 ZINC000021539900 568713302 /nfs/dbraw/zinc/71/33/02/568713302.db2.gz FMMLAZSEDQDJDJ-UHFFFAOYSA-N 0 3 409.538 1.593 50 0 HDAAHN Cc1ccc(N2N=C(C(=O)NCCCN3CCc4ccccc4C3)NCC2=O)cc1 ZINC000025015251 568714351 /nfs/dbraw/zinc/71/43/51/568714351.db2.gz UMOSULYIOXTSCU-UHFFFAOYSA-N 0 3 405.502 1.809 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1 ZINC000001118576 568771121 /nfs/dbraw/zinc/77/11/21/568771121.db2.gz CQUTWFIMAOEGFZ-UHFFFAOYSA-N 0 3 401.536 1.987 50 0 HDAAHN O=C(Cc1cccc(F)c1)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 ZINC000299763296 568873610 /nfs/dbraw/zinc/87/36/10/568873610.db2.gz YXSTWZQCEKVWFT-FQEVSTJZSA-N 0 3 403.498 1.729 50 0 HDAAHN O=C(Cc1ccc(F)cc1)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 ZINC000299782011 568875174 /nfs/dbraw/zinc/87/51/74/568875174.db2.gz MDALSTHEYJCABF-FQEVSTJZSA-N 0 3 403.498 1.729 50 0 HDAAHN O=C(NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1cc(F)ccc1F ZINC000299786269 568875679 /nfs/dbraw/zinc/87/56/79/568875679.db2.gz SGNFTEUEDFFQRM-KRWDZBQOSA-N 0 3 407.461 1.939 50 0 HDAAHN Cc1ccc(Cn2c3c(nc2N2CCN(CCC(C)C)CC2)n(C)c(=O)[nH]c3=O)cc1 ZINC000004316505 568962056 /nfs/dbraw/zinc/96/20/56/568962056.db2.gz OATXGJXBLPCCOR-UHFFFAOYSA-N 0 3 424.549 1.948 50 0 HDAAHN O=S(=O)(c1ccc(N[C@H]2CCN(Cc3ccccc3)C2)nc1)N1CCOCC1 ZINC000007980981 568963663 /nfs/dbraw/zinc/96/36/63/568963663.db2.gz LRERYWOEMZXQBH-SFHVURJKSA-N 0 3 402.520 1.789 50 0 HDAAHN O=C(NCC1CCN([C@H]2CCOC2)CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000575415686 569025675 /nfs/dbraw/zinc/02/56/75/569025675.db2.gz ORSLVGYINIPCTE-IBGZPJMESA-N 0 3 414.506 1.369 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)c1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)no1 ZINC000035512971 569043239 /nfs/dbraw/zinc/04/32/39/569043239.db2.gz AAKWFPIDDFXPFG-CQSZACIVSA-N 0 3 407.496 1.201 50 0 HDAAHN COc1cc(CNC(=O)C(C)S(=O)(=O)C2CCOCC2)ccc1OC(F)F ZINC000089478748 569061005 /nfs/dbraw/zinc/06/10/05/569061005.db2.gz ANCXJBPZTPCNIL-NSHDSACASA-N 0 3 407.435 1.895 50 0 HDAAHN CSCC[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)NCCN(C)C ZINC000006559548 569065725 /nfs/dbraw/zinc/06/57/25/569065725.db2.gz VQYRXJOAGGNRBY-CQSZACIVSA-N 0 3 411.952 1.557 50 0 HDAAHN CN1CCN(CCNC(=O)c2cccnc2N2CCN[C@H](c3ccccc3)C2)CC1 ZINC000065255860 569208108 /nfs/dbraw/zinc/20/81/08/569208108.db2.gz JWJSYHFKNAYQAF-NRFANRHFSA-N 0 3 408.550 1.210 50 0 HDAAHN O=C(CCc1ccccc1Br)NCCCCN1CCN(CCO)CC1 ZINC000089813884 569266421 /nfs/dbraw/zinc/26/64/21/569266421.db2.gz OMZRJWCNCGCMNA-UHFFFAOYSA-N 0 3 412.372 1.888 50 0 HDAAHN Cn1c(CN2CCCCCC2)cc(=O)c(O)c1CN1CCN(C2CCOCC2)CC1 ZINC000079487930 569432262 /nfs/dbraw/zinc/43/22/62/569432262.db2.gz PWRJXTZNPWYFPM-UHFFFAOYSA-N 0 3 418.582 1.764 50 0 HDAAHN CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@@H]1c1ccccc1OCC ZINC000067286861 571065072 /nfs/dbraw/zinc/06/50/72/571065072.db2.gz POROYHBWZCOTHH-HXUWFJFHSA-N 0 3 416.522 1.894 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000245276783 571222259 /nfs/dbraw/zinc/22/22/59/571222259.db2.gz WBTQCHLHWMXQJH-LSDHHAIUSA-N 0 3 404.540 1.276 50 0 HDAAHN Cc1nn(CC(=O)NCCN2CCCC[C@@H]2C)c(=O)c2cc(-c3ccccc3)nn21 ZINC000009727635 571282588 /nfs/dbraw/zinc/28/25/88/571282588.db2.gz TZARAMUWKHDPGC-INIZCTEOSA-N 0 3 408.506 1.857 50 0 HDAAHN CCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C[C@H]2CCCN2CC)cc1 ZINC000045966770 520892165 /nfs/dbraw/zinc/89/21/65/520892165.db2.gz MMULUXNCMKFDLO-HXUWFJFHSA-N 0 3 416.566 1.834 50 0 HDAAHN Cc1ccccc1S(=O)(=O)N(CCCN1CCCCC1)CC(=O)N1CCNCC1 ZINC000045974721 525327633 /nfs/dbraw/zinc/32/76/33/525327633.db2.gz NYDHDHYNXCEMNJ-UHFFFAOYSA-N 0 3 422.595 1.294 50 0 HDAAHN COC(=O)c1ccc(N2C(=O)C[C@@H](NCCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000000842614 557098049 /nfs/dbraw/zinc/09/80/49/557098049.db2.gz YNHSAGSGYLYVJR-QGZVFWFLSA-N 0 3 412.442 1.955 50 0 HDAAHN OCC(CO)(CO)NC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000005616496 557665560 /nfs/dbraw/zinc/66/55/60/557665560.db2.gz GETQKLUOZMYHGE-CQSZACIVSA-N 0 3 413.301 1.768 50 0 HDAAHN COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CC[C@@H](N(C)C)C3)cc2)CC1 ZINC000011768527 558274086 /nfs/dbraw/zinc/27/40/86/558274086.db2.gz HAFDOZSZGXNQCU-GOSISDBHSA-N 0 3 403.523 1.869 50 0 HDAAHN CCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(CCN1CCCCC1)c(=O)n2C ZINC000012231988 558358112 /nfs/dbraw/zinc/35/81/12/558358112.db2.gz BZQMAIQTXOJNLU-UHFFFAOYSA-N 0 3 413.526 1.513 50 0 HDAAHN COc1cccc(CNCCCc2cccnc2)c1OC[C@H](O)CN1CCOCC1 ZINC000012307828 558376431 /nfs/dbraw/zinc/37/64/31/558376431.db2.gz JHAOXNJAJADDAX-OAQYLSRUSA-N 0 3 415.534 1.885 50 0 HDAAHN Cc1nn(-c2ccccc2)c2c1nc(CCC(=O)NCCN1CCCCC1)c(=O)n2C ZINC000021640918 558444467 /nfs/dbraw/zinc/44/44/67/558444467.db2.gz CKBWYWGYWZUZRD-UHFFFAOYSA-N 0 3 422.533 1.962 50 0 HDAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000021793869 558449218 /nfs/dbraw/zinc/44/92/18/558449218.db2.gz HMWVMVPWDAEMJH-UHFFFAOYSA-N 0 3 411.462 1.313 50 0 HDAAHN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1 ZINC000021794628 558449374 /nfs/dbraw/zinc/44/93/74/558449374.db2.gz ZYBBJOVMLXXDIR-UHFFFAOYSA-N 0 3 418.523 1.320 50 0 HDAAHN COCC1CCN(Cc2ccc(OC)c(OC[C@@H](O)CN3CCN(C)CC3)c2)CC1 ZINC000022926242 558523226 /nfs/dbraw/zinc/52/32/26/558523226.db2.gz HSTCEPYDGGAIEK-NRFANRHFSA-N 0 3 421.582 1.541 50 0 HDAAHN COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN([C@H](C)COC)CC2 ZINC000014541278 558660133 /nfs/dbraw/zinc/66/01/33/558660133.db2.gz JZQXAHDQGQIJTG-GOSISDBHSA-N 0 3 418.538 1.794 50 0 HDAAHN COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN([C@H](C)COC)CC2 ZINC000014747341 558669582 /nfs/dbraw/zinc/66/95/82/558669582.db2.gz NVOHJUZLNGHJKA-QGZVFWFLSA-N 0 3 404.511 1.752 50 0 HDAAHN CN(C(=O)CC[C@H]1CCCN(C(=O)CN2CCCCC2=O)C1)C1CCN(C)CC1 ZINC000015067299 558710088 /nfs/dbraw/zinc/71/00/88/558710088.db2.gz DRYMYFLRBMIFDA-GOSISDBHSA-N 0 3 406.571 1.570 50 0 HDAAHN COC(=O)C1=C(N)Oc2cc(C)n(CCN(C)C)c(=O)c2[C@@H]1c1cccc(OC)c1 ZINC000004570645 558742793 /nfs/dbraw/zinc/74/27/93/558742793.db2.gz SPEJXDZJJXWQLV-KRWDZBQOSA-N 0 3 413.474 1.595 50 0 HDAAHN C[C@H]1CCCCN1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(F)cc1 ZINC000035422035 558791754 /nfs/dbraw/zinc/79/17/54/558791754.db2.gz XHBBFESXQJUVGJ-SFHVURJKSA-N 0 3 404.530 1.964 50 0 HDAAHN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000036593856 558800117 /nfs/dbraw/zinc/80/01/17/558800117.db2.gz HAILDVPYZTWKRM-HXUWFJFHSA-N 0 3 406.486 1.908 50 0 HDAAHN COc1ccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)cc1 ZINC000038488310 558811589 /nfs/dbraw/zinc/81/15/89/558811589.db2.gz RCPCRJOWJYAPGU-UHFFFAOYSA-N 0 3 407.496 1.021 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN([C@H]2CC(=O)N(Cc3cccs3)C2=O)CC1 ZINC000018277082 558835342 /nfs/dbraw/zinc/83/53/42/558835342.db2.gz ASOIDEQDJQHLPF-INIZCTEOSA-N 0 3 404.536 1.181 50 0 HDAAHN CS(=O)(=O)Nc1cc(C(=O)NCc2cccc(F)c2)ccc1N1CCNCC1 ZINC000033034429 558858477 /nfs/dbraw/zinc/85/84/77/558858477.db2.gz DXONYKKRKVTOLE-UHFFFAOYSA-N 0 3 406.483 1.537 50 0 HDAAHN COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CN(C)Cc2nccs2)c1 ZINC000055099749 558872389 /nfs/dbraw/zinc/87/23/89/558872389.db2.gz XLBSXDNKCINBAF-SFHVURJKSA-N 0 3 421.563 1.980 50 0 HDAAHN Cc1nc2ccccc2c(=O)n1Cc1noc(C(=O)NCCN2CCCCCC2)n1 ZINC000033255823 558923543 /nfs/dbraw/zinc/92/35/43/558923543.db2.gz XOBUKUTVFYGSRB-UHFFFAOYSA-N 0 3 410.478 1.742 50 0 HDAAHN Cc1nc(CN2CCC3(CN(CCN4CCN(C(C)C)CC4)C(=O)O3)CC2)co1 ZINC000072410035 558977414 /nfs/dbraw/zinc/97/74/14/558977414.db2.gz LRAKIQURKCKKHW-UHFFFAOYSA-N 0 3 405.543 1.796 50 0 HDAAHN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000072436942 558980368 /nfs/dbraw/zinc/98/03/68/558980368.db2.gz ONPIGRLESFTCJX-LJQANCHMSA-N 0 3 408.568 1.069 50 0 HDAAHN COc1ccc(C(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)cc1 ZINC000072437634 558980970 /nfs/dbraw/zinc/98/09/70/558980970.db2.gz ZZDQJTFDZQGUJI-UHFFFAOYSA-N 0 3 410.522 1.508 50 0 HDAAHN Cc1nc(C)c(C(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)s1 ZINC000067603839 558988261 /nfs/dbraw/zinc/98/82/61/558988261.db2.gz LGRCUVCUEJRJFA-UHFFFAOYSA-N 0 3 402.524 1.657 50 0 HDAAHN CC(C)N1CCN(CCCN2CC3(CCN(c4ccnc(N)n4)CC3)OC2=O)CC1 ZINC000077428513 559005021 /nfs/dbraw/zinc/00/50/21/559005021.db2.gz FSIHISYSZFMSNO-UHFFFAOYSA-N 0 3 417.558 1.266 50 0 HDAAHN O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2CCCCC[C@H]2CO)[nH]c1=O ZINC000077541345 559008967 /nfs/dbraw/zinc/00/89/67/559008967.db2.gz PZCMPCSJKNUYGC-KRWDZBQOSA-N 0 3 413.474 1.771 50 0 HDAAHN C[C@H](N)C(=O)N1CCc2ccc(S(=O)(=O)NCCOc3ccccc3)cc2C1 ZINC000077566319 559009348 /nfs/dbraw/zinc/00/93/48/559009348.db2.gz CEGGWADBCSTKJE-HNNXBMFYSA-N 0 3 403.504 1.276 50 0 HDAAHN O=C(NCc1nnn[n-]1)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091755868 559073648 /nfs/dbraw/zinc/07/36/48/559073648.db2.gz WMUKPSGTVBXYOG-GOSISDBHSA-N 0 3 409.538 1.160 50 0 HDAAHN O=C(NCc1nnn[n-]1)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091755868 559073649 /nfs/dbraw/zinc/07/36/49/559073649.db2.gz WMUKPSGTVBXYOG-GOSISDBHSA-N 0 3 409.538 1.160 50 0 HDAAHN O=C(NCc1nn[n-]n1)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091755868 559073650 /nfs/dbraw/zinc/07/36/50/559073650.db2.gz WMUKPSGTVBXYOG-GOSISDBHSA-N 0 3 409.538 1.160 50 0 HDAAHN O=C(NCc1nn[n-]n1)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091755868 559073651 /nfs/dbraw/zinc/07/36/51/559073651.db2.gz WMUKPSGTVBXYOG-GOSISDBHSA-N 0 3 409.538 1.160 50 0 HDAAHN Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)c2ccc(F)cc2n1 ZINC000095386722 559080654 /nfs/dbraw/zinc/08/06/54/559080654.db2.gz RYUDQNKADYYXOC-IAGOWNOFSA-N 0 3 400.498 1.610 50 0 HDAAHN CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)Cc1c[nH]c(=O)[nH]c1=O ZINC000095497055 559081558 /nfs/dbraw/zinc/08/15/58/559081558.db2.gz FLEXGTLVWPKJAG-OAHLLOKOSA-N 0 3 402.470 1.158 50 0 HDAAHN COc1cccc(CN2CC3(CC2=O)CCN(C(=O)C[C@@H]2CNCCO2)CC3)c1 ZINC000095524157 559085826 /nfs/dbraw/zinc/08/58/26/559085826.db2.gz FMUADUWERPMIAV-LJQANCHMSA-N 0 3 401.507 1.415 50 0 HDAAHN CN(C(=O)CC[C@H]1CCCN(C(=O)CCc2ccnn2C)C1)C1CCN(C)CC1 ZINC000095526868 559086147 /nfs/dbraw/zinc/08/61/47/559086147.db2.gz JZDFSVSZDPEPRP-GOSISDBHSA-N 0 3 403.571 1.924 50 0 HDAAHN COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CN(C)C1CCCC1)CC2 ZINC000095529028 559086453 /nfs/dbraw/zinc/08/64/53/559086453.db2.gz YVSOALBFODXTOT-UHFFFAOYSA-N 0 3 403.527 1.133 50 0 HDAAHN COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccn3nnnc3c2)CC1 ZINC000096166254 559100941 /nfs/dbraw/zinc/10/09/41/559100941.db2.gz DANZXFYZSOCGAP-GOSISDBHSA-N 0 3 402.499 1.104 50 0 HDAAHN Cc1c(CN2CCC3(CC2)CCN(C(=O)Cc2cnc[nH]2)C[C@H]3CO)cnn1C ZINC000097495074 559118928 /nfs/dbraw/zinc/11/89/28/559118928.db2.gz FHYHITNZOHQTQC-SFHVURJKSA-N 0 3 400.527 1.117 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000100088886 559129692 /nfs/dbraw/zinc/12/96/92/559129692.db2.gz UCQRUUKDYOFXLL-KRWDZBQOSA-N 0 3 402.470 1.263 50 0 HDAAHN CCOC(=O)N1CCN(c2c(=O)c(=O)c2N2CCC(N3CCCCC3)CC2)CC1 ZINC000005068814 559240484 /nfs/dbraw/zinc/24/04/84/559240484.db2.gz AHKNNGYGTCIBNN-UHFFFAOYSA-N 0 3 404.511 1.016 50 0 aggregator HDAAHN CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000005149108 559253174 /nfs/dbraw/zinc/25/31/74/559253174.db2.gz WBTQCHLHWMXQJH-CABCVRRESA-N 0 3 404.540 1.276 50 0 HDAAHN CN(C)[C@@H](CNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)c1ccccc1 ZINC000011998158 559270070 /nfs/dbraw/zinc/27/00/70/559270070.db2.gz CIMJCOCBJIQNAX-SFHVURJKSA-N 0 3 401.488 1.786 50 0 HDAAHN CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2NCCCN2CCC[C@@H](C)C2)CC1 ZINC000101535757 560797059 /nfs/dbraw/zinc/79/70/59/560797059.db2.gz GMAPOBWEEUQDKA-OAHLLOKOSA-N 0 3 406.527 1.849 50 0 HDAAHN CN(C)C[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)[C@H](O)c1ccccc1 ZINC000048080999 568432030 /nfs/dbraw/zinc/43/20/30/568432030.db2.gz NDGSBEUPJQPSIZ-WIYYLYMNSA-N 0 3 413.522 1.951 50 0 HDAAHN C[C@H]1[C@@H](NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CCCN1C ZINC000096010241 568683634 /nfs/dbraw/zinc/68/36/34/568683634.db2.gz NFXLZIZQVZTWTK-WFASDCNBSA-N 0 3 418.357 1.716 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C ZINC000021926747 568761215 /nfs/dbraw/zinc/76/12/15/568761215.db2.gz COKRUHBSLYDVTM-HNNXBMFYSA-N 0 3 402.568 1.966 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C ZINC000021926741 568761247 /nfs/dbraw/zinc/76/12/47/568761247.db2.gz COKRUHBSLYDVTM-OAHLLOKOSA-N 0 3 402.568 1.966 50 0 HDAAHN O=C([C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000021940484 568763132 /nfs/dbraw/zinc/76/31/32/568763132.db2.gz XWJRWVGASSLKAM-LJQANCHMSA-N 0 3 419.547 1.843 50 0 HDAAHN O=C(NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1cc(F)ccc1F ZINC000299786278 568875641 /nfs/dbraw/zinc/87/56/41/568875641.db2.gz SGNFTEUEDFFQRM-QGZVFWFLSA-N 0 3 407.461 1.939 50 0 HDAAHN COc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000670463498 568956751 /nfs/dbraw/zinc/95/67/51/568956751.db2.gz UOODLGSIKKMXLR-MRXNPFEDSA-N 0 3 411.568 1.993 50 0 HDAAHN CCN(CC)CCNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000004272262 568957296 /nfs/dbraw/zinc/95/72/96/568957296.db2.gz QKILJVDSZHKYCM-UHFFFAOYSA-N 0 3 414.506 1.141 50 0 HDAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1cn(-c2ccccc2)nn1 ZINC000670467201 568973023 /nfs/dbraw/zinc/97/30/23/568973023.db2.gz LHAOJERQCWLALQ-IGSLEHJCSA-N 0 3 414.513 1.565 50 0 HDAAHN O=C(NCC1CCN([C@@H]2CCOC2)CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000575415687 569025632 /nfs/dbraw/zinc/02/56/32/569025632.db2.gz ORSLVGYINIPCTE-LJQANCHMSA-N 0 3 414.506 1.369 50 0 HDAAHN CC(C(=O)NCc1ccccc1CN1CCOCC1)S(=O)(=O)C1CCOCC1 ZINC000089478896 569061027 /nfs/dbraw/zinc/06/10/27/569061027.db2.gz MWBFXLLFPTUUBF-MRXNPFEDSA-N 0 3 410.536 1.117 50 0 HDAAHN Cc1noc(C)c1CN1CCc2c(C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)csc2C1 ZINC000426544386 569073399 /nfs/dbraw/zinc/07/33/99/569073399.db2.gz MWBIGBQKFCUMTL-ROUUACIJSA-N 0 3 404.536 1.658 50 0 HDAAHN O=C(CN1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O)N1CCOCC1 ZINC000426656976 569073712 /nfs/dbraw/zinc/07/37/12/569073712.db2.gz PYSHAEZWNFEYPC-OAQYLSRUSA-N 0 3 407.461 1.638 50 0 HDAAHN CN(C)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)NCCN1CCCCCC1 ZINC000064888991 569115780 /nfs/dbraw/zinc/11/57/80/569115780.db2.gz JMSNGNWTEARVGP-UHFFFAOYSA-N 0 3 421.567 1.669 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000006798641 569126599 /nfs/dbraw/zinc/12/65/99/569126599.db2.gz AFPGVYRIAKOOLS-OAHLLOKOSA-N 0 3 406.556 1.482 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)c1nnc(Cc2cc(OC)c(OC)c(OC)c2)o1 ZINC000006821587 569140693 /nfs/dbraw/zinc/14/06/93/569140693.db2.gz CSTQOAMSTZYDRY-AWEZNQCLSA-N 0 3 404.467 1.900 50 0 HDAAHN COc1ccc(S(=O)(=O)N2CCc3c2cccc3C(=O)NCCN(C)C)cc1 ZINC000065210204 569196130 /nfs/dbraw/zinc/19/61/30/569196130.db2.gz UVQISLXFTKVDMW-UHFFFAOYSA-N 0 3 403.504 1.738 50 0 HDAAHN CCN1CCN(CCNC(=O)c2nc3csc(C)c3c(N3CCCC3)n2)CC1 ZINC000065283233 569216538 /nfs/dbraw/zinc/21/65/38/569216538.db2.gz NSALXWPGLCTGID-UHFFFAOYSA-N 0 3 402.568 1.967 50 0 HDAAHN Cc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2CC(=O)NCCN1CCCCCC1 ZINC000065306822 569220792 /nfs/dbraw/zinc/22/07/92/569220792.db2.gz NTRXONQSUZUVEB-FQEVSTJZSA-N 0 3 412.534 1.938 50 0 HDAAHN O=C(Cn1c(=O)cnc2ccccc21)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000089834873 569266718 /nfs/dbraw/zinc/26/67/18/569266718.db2.gz ZGLWIVNOBGHCMG-OALUTQOASA-N 0 3 406.486 1.396 50 0 HDAAHN CN(C)C[C@@H](O)COc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000079066742 569426622 /nfs/dbraw/zinc/42/66/22/569426622.db2.gz LJVBCERZVHTEPW-IRLDBZIGSA-N 0 3 413.518 1.827 50 0 HDAAHN CCN1CCN(C[C@H](O)COc2cccc(CNCCN3CCCCC3=O)c2)CC1 ZINC000019744809 569429414 /nfs/dbraw/zinc/42/94/14/569429414.db2.gz WYPISUMKDNEBMU-NRFANRHFSA-N 0 3 418.582 1.166 50 0 HDAAHN COC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067287760 571065737 /nfs/dbraw/zinc/06/57/37/571065737.db2.gz QTWHPKCUSCGRHL-IBGZPJMESA-N 0 3 418.494 1.122 50 0 HDAAHN CCN1CCN(Cc2ccccc2CNC(=O)CCC(=O)N2CCOCC2)CC1 ZINC000040107972 571167800 /nfs/dbraw/zinc/16/78/00/571167800.db2.gz IUFXOOPPVHZRAL-UHFFFAOYSA-N 0 3 402.539 1.079 50 0 HDAAHN CC(=O)Nc1ncc(S(=O)(=O)[N-]CC2CC[NH+](C3CCSCC3)CC2)s1 ZINC000244998693 571211954 /nfs/dbraw/zinc/21/19/54/571211954.db2.gz KPRZZLPHNAGAQA-UHFFFAOYSA-N 0 3 418.610 1.987 50 0 HDAAHN Cn1c2nc3n(c2c(=O)n(CCN2CCCCC2)c1=O)CCCN3Cc1ccccc1 ZINC000009156884 571231937 /nfs/dbraw/zinc/23/19/37/571231937.db2.gz QYPLKXRIWJDZOT-UHFFFAOYSA-N 0 3 422.533 1.793 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)Cn1ncn2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000009727368 571282525 /nfs/dbraw/zinc/28/25/25/571282525.db2.gz UPGGNSMMMWOYFM-MRXNPFEDSA-N 0 3 410.478 1.167 50 0 HDAAHN O=C(NCCN1CCCC1)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000006936618 132321296 /nfs/dbraw/zinc/32/12/96/132321296.db2.gz PRNOMGJTXKMIOF-UHFFFAOYSA-N 0 3 411.554 1.981 50 0 HDAAHN O=C(CCN(CCN1CCCCC1)S(=O)(=O)c1cccs1)N1CCNCC1 ZINC000045945313 526473346 /nfs/dbraw/zinc/47/33/46/526473346.db2.gz DSEBGHVWNULZCA-UHFFFAOYSA-N 0 3 414.597 1.047 50 0 HDAAHN CC(C)CNC(=O)c1coc(CN2CCN(C[C@@H](O)CN3CCCCC3)CC2)n1 ZINC000034677039 557364135 /nfs/dbraw/zinc/36/41/35/557364135.db2.gz XLZIKGVDYIPUHB-SFHVURJKSA-N 0 3 407.559 1.025 50 0 HDAAHN COc1cccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)c1 ZINC000004177949 557525101 /nfs/dbraw/zinc/52/51/01/557525101.db2.gz VTQWDUXFSVNYKY-GOSISDBHSA-N 0 3 414.506 1.133 50 0 HDAAHN CC[NH+](CC)CCN1c2ccccc2[C@@]2(SC([N-]C(C)=O)=NN2C(C)=O)C1=O ZINC000004721744 557586465 /nfs/dbraw/zinc/58/64/65/557586465.db2.gz UIFCWBVUFXVVAH-LJQANCHMSA-N 0 3 403.508 1.530 50 0 HDAAHN CCOc1c(Br)cc(CNCCNC(=O)c2nonc2N)cc1OC ZINC000008253341 557778068 /nfs/dbraw/zinc/77/80/68/557778068.db2.gz JASPXGCPDZFGLQ-UHFFFAOYSA-N 0 3 414.260 1.341 50 0 HDAAHN O=C(Cc1ccc(Cl)cc1)NCCC(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008739116 557803443 /nfs/dbraw/zinc/80/34/43/557803443.db2.gz LSKPBPGZAYLGEW-UHFFFAOYSA-N 0 3 415.925 1.776 50 0 HDAAHN CCOc1ccc(C(=O)NCCC(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 ZINC000008740753 557803681 /nfs/dbraw/zinc/80/36/81/557803681.db2.gz KLPNPHJWCRBHGE-UHFFFAOYSA-N 0 3 411.506 1.592 50 0 HDAAHN CCN(CCN1CCCCC1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000011874240 558291981 /nfs/dbraw/zinc/29/19/81/558291981.db2.gz HFRNYAMVRKIDDL-LJQANCHMSA-N 0 3 406.571 1.572 50 0 HDAAHN Cc1nnc(SCCNC(=O)C[C@H]2C(=O)NCCN2CCCc2ccccc2)[nH]1 ZINC000011997022 558306956 /nfs/dbraw/zinc/30/69/56/558306956.db2.gz YEYPUTJHAMPJMH-KRWDZBQOSA-N 0 3 416.551 1.145 50 0 HDAAHN COC(=O)C1CCN(C[C@H](O)COc2cccc(CNCc3cccnc3)c2)CC1 ZINC000012318731 558381380 /nfs/dbraw/zinc/38/13/80/558381380.db2.gz ASLJZVXOYKQVGJ-NRFANRHFSA-N 0 3 413.518 1.996 50 0 HDAAHN COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000012713928 558454099 /nfs/dbraw/zinc/45/40/99/558454099.db2.gz OHPYIDFWUIFOPJ-OAQYLSRUSA-N 0 3 414.550 1.473 50 0 HDAAHN COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000012713924 558454161 /nfs/dbraw/zinc/45/41/61/558454161.db2.gz OHPYIDFWUIFOPJ-NRFANRHFSA-N 0 3 414.550 1.473 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000013625307 558551048 /nfs/dbraw/zinc/55/10/48/558551048.db2.gz VRCLJQBGOBULPA-WIYYLYMNSA-N 0 3 420.513 1.991 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccncc1 ZINC000013732129 558587154 /nfs/dbraw/zinc/58/71/54/558587154.db2.gz XYQJBRKQMCIRPW-QGZVFWFLSA-N 0 3 409.490 1.551 50 0 HDAAHN CCN1CCN(CCNC(=O)c2ccccc2NC(=O)C2=CSCCO2)CC1 ZINC000022937733 558726128 /nfs/dbraw/zinc/72/61/28/558726128.db2.gz DRZGPACTOGJGMY-UHFFFAOYSA-N 0 3 404.536 1.597 50 0 HDAAHN Cc1nc(N(C)C)cc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 ZINC000033318379 558766412 /nfs/dbraw/zinc/76/64/12/558766412.db2.gz UCGLYOFMSRYCAZ-UHFFFAOYSA-N 0 3 419.507 1.133 50 0 HDAAHN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCCN3CCCC3)C2)c1C ZINC000035482209 558792919 /nfs/dbraw/zinc/79/29/19/558792919.db2.gz VRLXTQWCDYYWHV-KRWDZBQOSA-N 0 3 418.538 1.872 50 0 HDAAHN COc1cccc(CN(C)CCc2cnn(C)c2)c1OC[C@@H](O)CN1CCOCC1 ZINC000039478305 558821679 /nfs/dbraw/zinc/82/16/79/558821679.db2.gz QTFZPCJCPQNWGG-FQEVSTJZSA-N 0 3 418.538 1.175 50 0 HDAAHN Cc1ccc(-n2cnnn2)cc1NC(=O)NCc1ccc(N2CCCN(C)CC2)nc1 ZINC000058168182 558907759 /nfs/dbraw/zinc/90/77/59/558907759.db2.gz OXMRVIRKBLJMJI-UHFFFAOYSA-N 0 3 421.509 1.829 50 0 HDAAHN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NC1CCN(C)CC1 ZINC000065362061 558972823 /nfs/dbraw/zinc/97/28/23/558972823.db2.gz OCHGUFOQCKUHTD-UHFFFAOYSA-N 0 3 409.552 1.940 50 0 HDAAHN O=C(Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O)NCCN1CCCC1 ZINC000021944379 558978423 /nfs/dbraw/zinc/97/84/23/558978423.db2.gz BPEKBKXXXRHLPH-UHFFFAOYSA-N 0 3 406.486 1.424 50 0 HDAAHN CCOc1ccc(C(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)cc1 ZINC000072437804 558981142 /nfs/dbraw/zinc/98/11/42/558981142.db2.gz HALAZFFNDYINEK-UHFFFAOYSA-N 0 3 424.549 1.898 50 0 HDAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(S(=O)(=O)c3cccs3)CC2)n1 ZINC000067621047 558989500 /nfs/dbraw/zinc/98/95/00/558989500.db2.gz KRWXYZWUSAGSQP-UHFFFAOYSA-N 0 3 422.580 1.109 50 0 HDAAHN CC(C)c1cccc(S(=O)(=O)N2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000097163878 558998365 /nfs/dbraw/zinc/99/83/65/558998365.db2.gz AUHMLMDJRGTZRL-QGZVFWFLSA-N 0 3 400.566 1.740 50 0 HDAAHN CN(C)S(=O)(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000077387043 559003399 /nfs/dbraw/zinc/00/33/99/559003399.db2.gz LNGUIYSGUZDROR-FQEVSTJZSA-N 0 3 422.595 1.676 50 0 HDAAHN COCCN(C)CCN1CC2(CCN(C(=O)C(=O)c3ccccc3)CC2)OC1=O ZINC000077470611 559006499 /nfs/dbraw/zinc/00/64/99/559006499.db2.gz SLLDLDROWJONGE-UHFFFAOYSA-N 0 3 403.479 1.261 50 0 HDAAHN CC(C)S(=O)(=O)N1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082137311 559040282 /nfs/dbraw/zinc/04/02/82/559040282.db2.gz GRAYLYZEMCQWKF-SFHVURJKSA-N 0 3 408.568 1.612 50 0 HDAAHN COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c1 ZINC000033318375 559055935 /nfs/dbraw/zinc/05/59/35/559055935.db2.gz VPUCFKISNAKWFE-UHFFFAOYSA-N 0 3 421.523 1.379 50 0 HDAAHN CN(C)C(=O)N1CC[C@]2(O)CCN(Cc3cccc(N4CCOCC4)c3)C[C@@H]2C1 ZINC000095388063 559080722 /nfs/dbraw/zinc/08/07/22/559080722.db2.gz JYGRSLCRMQVXKG-DENIHFKCSA-N 0 3 402.539 1.464 50 0 HDAAHN CCCCc1nc(CN2CCC3(CC2)c2[nH]cnc2CCN3C(=O)COC)c[nH]1 ZINC000095527720 559086223 /nfs/dbraw/zinc/08/62/23/559086223.db2.gz FPEWQOKGUAGKKZ-UHFFFAOYSA-N 0 3 400.527 1.998 50 0 HDAAHN CCCCc1ncc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)[nH]1 ZINC000095527720 559086225 /nfs/dbraw/zinc/08/62/25/559086225.db2.gz FPEWQOKGUAGKKZ-UHFFFAOYSA-N 0 3 400.527 1.998 50 0 HDAAHN CCOCCN1CCN(c2cc(N3CCN(CCOCC)[C@@H](C)C3)ncn2)C[C@@H]1C ZINC000221967184 568512796 /nfs/dbraw/zinc/51/27/96/568512796.db2.gz CGPBELXXEAEBJR-PMACEKPBSA-N 0 3 420.602 1.571 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)C[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000223243226 568542429 /nfs/dbraw/zinc/54/24/29/568542429.db2.gz BFTNKUBUTTYVDD-VQIMIIECSA-N 0 3 411.506 1.621 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000096231405 568707375 /nfs/dbraw/zinc/70/73/75/568707375.db2.gz FDYKSRFLVHUALH-MJGOQNOKSA-N 0 3 416.522 1.539 50 0 HDAAHN C[C@H]1CCCN(c2nn3c(ncc(C(=O)NCCN4CCCCC4)c3=O)s2)C1 ZINC000021537629 568712725 /nfs/dbraw/zinc/71/27/25/568712725.db2.gz ZNDSRNVNWHTQGN-AWEZNQCLSA-N 0 3 404.540 1.603 50 0 HDAAHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(NCC(=O)Nc2cccc(F)c2)CC1 ZINC000241231160 568731014 /nfs/dbraw/zinc/73/10/14/568731014.db2.gz KSPGBQFQWVGHAL-UHFFFAOYSA-N 0 3 409.487 1.547 50 0 HDAAHN CC1=C(C(=O)NCCN2CCOCC2)C2(CCN(Cc3ccccc3)CC2)OC1=O ZINC000021868332 568755855 /nfs/dbraw/zinc/75/58/55/568755855.db2.gz VAIQALWITCHJIO-UHFFFAOYSA-N 0 3 413.518 1.343 50 0 biogenic HDAAHN CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCN(C2CCCCC2)CC1 ZINC000021868628 568756068 /nfs/dbraw/zinc/75/60/68/568756068.db2.gz VTHWDXHXUBGUNY-UHFFFAOYSA-N 0 3 403.523 1.718 50 0 biogenic HDAAHN C[C@H](C1CC1)N(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 ZINC000031654072 568837364 /nfs/dbraw/zinc/83/73/64/568837364.db2.gz TUHSTPBPEUMTHD-OAHLLOKOSA-N 0 3 407.536 1.909 50 0 HDAAHN Cc1ccccc1[C@]1(CC(=O)N2CCN(C)[C@H](C)C2)CC(=O)N(CCN(C)C)C1=O ZINC000299758747 568873243 /nfs/dbraw/zinc/87/32/43/568873243.db2.gz OYBPZDYXTUJALO-JPYJTQIMSA-N 0 3 414.550 1.106 50 0 HDAAHN COc1ccc(C(=O)NC[C@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)cc1 ZINC000299763012 568873287 /nfs/dbraw/zinc/87/32/87/568873287.db2.gz XZBOJKORQNGPOO-FQEVSTJZSA-N 0 3 401.507 1.669 50 0 HDAAHN O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCn2cccn2)CC1 ZINC000299793574 568876091 /nfs/dbraw/zinc/87/60/91/568876091.db2.gz HWJZUFFETJSZBX-FQEVSTJZSA-N 0 3 402.470 1.793 50 0 HDAAHN O=C(NCCN1CCCC1)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004004231 568932872 /nfs/dbraw/zinc/93/28/72/568932872.db2.gz WVPJAFXNQKLHTA-UHFFFAOYSA-N 0 3 406.486 1.758 50 0 HDAAHN Cc1ccc(-n2nc(C(=O)N3CCN(C4CCCCC4)CC3)c(=O)n(C)c2=O)cc1 ZINC000015786452 569007575 /nfs/dbraw/zinc/00/75/75/569007575.db2.gz MIWLUXULZISPIS-UHFFFAOYSA-N 0 3 411.506 1.330 50 0 HDAAHN CN(C)CCNC(=S)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000006590802 569068725 /nfs/dbraw/zinc/06/87/25/569068725.db2.gz YRPVCXIKLLOESO-UHFFFAOYSA-N 0 3 406.961 1.209 50 0 HDAAHN C[C@H]1CCCN(c2nn3c(nc(=O)cc3C(=O)NCCN3CCCCCC3)s2)C1 ZINC000064836846 569104892 /nfs/dbraw/zinc/10/48/92/569104892.db2.gz QDULCTJAPOTBEW-HNNXBMFYSA-N 0 3 418.567 1.993 50 0 HDAAHN Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)NCCN1CCCCC1)c2=O ZINC000064970684 569138728 /nfs/dbraw/zinc/13/87/28/569138728.db2.gz WCODABMORPSPIS-UHFFFAOYSA-N 0 3 408.506 1.801 50 0 HDAAHN C[C@@H]1CCCCN1CCNC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1 ZINC000065226804 569200139 /nfs/dbraw/zinc/20/01/39/569200139.db2.gz PAVSSHQIIYBMRX-GOSISDBHSA-N 0 3 416.570 1.520 50 0 HDAAHN CCn1c2cc(C(=O)N3CCN(C4CCN(C)CC4)CC3)ccc2n2nccc2c1=O ZINC000065270817 569213419 /nfs/dbraw/zinc/21/34/19/569213419.db2.gz WORDIANNIWQBRA-UHFFFAOYSA-N 0 3 422.533 1.521 50 0 HDAAHN CN(C)S(=O)(=O)c1ccc(-c2noc(C(=O)NCCN3CCCCCC3)n2)cc1 ZINC000065319277 569222030 /nfs/dbraw/zinc/22/20/30/569222030.db2.gz XMWXDLUAUXVNTF-UHFFFAOYSA-N 0 3 421.523 1.593 50 0 HDAAHN CC(=O)N1CCN(Cc2ccc(NC(=O)[C@@H]3CCCN3C3CCOCC3)cc2)CC1 ZINC000170592316 569241090 /nfs/dbraw/zinc/24/10/90/569241090.db2.gz IUKIHJDWCQCRQR-QFIPXVFZSA-N 0 3 414.550 1.933 50 0 HDAAHN CCC(CC)(CNCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C(=O)OC ZINC000089943039 569269370 /nfs/dbraw/zinc/26/93/70/569269370.db2.gz HHINJMQPEDAUBN-MRXNPFEDSA-N 0 3 402.557 1.514 50 0 HDAAHN CCc1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H](N)C(C)C)CC2)cc1 ZINC000002129765 569286449 /nfs/dbraw/zinc/28/64/49/569286449.db2.gz WPYUQHPCBUGJFG-KXBFYZLASA-N 0 3 402.539 1.914 50 0 biogenic HDAAHN CCCN1CCN(CCCNC(=O)CN2c3ccccc3O[C@@H](CC)C2=O)CC1 ZINC000019359203 569420454 /nfs/dbraw/zinc/42/04/54/569420454.db2.gz SMUSYQLLDKQQOY-IBGZPJMESA-N 0 3 402.539 1.725 50 0 HDAAHN CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008996697 571208796 /nfs/dbraw/zinc/20/87/96/571208796.db2.gz MEFPCADWLCGDLH-OAHLLOKOSA-N 0 3 417.535 1.518 50 0 HDAAHN COc1ccc(CC(=O)N[C@H](C)C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 ZINC000008996282 571208905 /nfs/dbraw/zinc/20/89/05/571208905.db2.gz MBALDADSYRWHNH-OAHLLOKOSA-N 0 3 411.506 1.129 50 0 HDAAHN Cc1nn(CC(=O)NCCN2CCCCCC2)c(=O)c2cc(-c3ccccc3)nn21 ZINC000009727630 571282577 /nfs/dbraw/zinc/28/25/77/571282577.db2.gz MUWMZUYTRLKWNU-UHFFFAOYSA-N 0 3 408.506 1.859 50 0 HDAAHN Cn1c2nc3n(c2c(=O)n(CCN2CCCCC2)c1=O)CCCN3c1ccccc1 ZINC000005804369 132307949 /nfs/dbraw/zinc/30/79/49/132307949.db2.gz YARPALRZYBCCHJ-UHFFFAOYSA-N 0 3 408.506 1.924 50 0 HDAAHN O=C(C[C@@H]1C(=O)NCCN1CCc1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000012055563 132353371 /nfs/dbraw/zinc/35/33/71/132353371.db2.gz DRZLYVPCPNXVMF-OAQYLSRUSA-N 0 3 407.518 1.163 50 0 HDAAHN CCN(CC)[C@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H](N(CC)CC)C3=O)cc2)C1=O ZINC000000688210 557060073 /nfs/dbraw/zinc/06/00/73/557060073.db2.gz DCSAANTUNCFNMM-ROUUACIJSA-N 0 3 414.506 1.634 50 0 HDAAHN CC1CCN(c2nn3c(nc(=O)cc3C(=O)NCCCN3CCCCC3)s2)CC1 ZINC000035377853 557533573 /nfs/dbraw/zinc/53/35/73/557533573.db2.gz FAVMCJZTLFKADE-UHFFFAOYSA-N 0 3 418.567 1.993 50 0 HDAAHN O=C([C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1)N1CCN(CC2CCCC2)CC1 ZINC000019770638 558279398 /nfs/dbraw/zinc/27/93/98/558279398.db2.gz FDLZATUNHVNVQB-HXUWFJFHSA-N 0 3 418.582 1.572 50 0 HDAAHN COc1cccc(CNCCc2cccnc2)c1OC[C@H](O)CN1CCOCC1 ZINC000011821267 558284502 /nfs/dbraw/zinc/28/45/02/558284502.db2.gz ABHQXNWHOWEZGU-HXUWFJFHSA-N 0 3 401.507 1.494 50 0 HDAAHN COc1cc(CN2CCC(C(N)=O)CC2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000011951635 558302988 /nfs/dbraw/zinc/30/29/88/558302988.db2.gz LWHZROUNBNIXTM-GOSISDBHSA-N 0 3 423.579 1.181 50 0 HDAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1(C(N)=O)CC1 ZINC000012073009 558318247 /nfs/dbraw/zinc/31/82/47/558318247.db2.gz YCGJXKHJNYVKTH-KRWDZBQOSA-N 0 3 404.530 1.693 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@@]2(CC)CCC(=O)NC2=O)cc1 ZINC000012409050 558399568 /nfs/dbraw/zinc/39/95/68/558399568.db2.gz CGHVAHMREGLLNB-HTAPYJJXSA-N 0 3 414.506 1.310 50 0 HDAAHN O=C(C[C@@H]1C(=O)NCCN1CCCc1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000012712173 558453335 /nfs/dbraw/zinc/45/33/35/558453335.db2.gz NKCFIJCSZTWVME-JOCHJYFZSA-N 0 3 421.545 1.554 50 0 HDAAHN COCCN1C[C@@H](C(=O)N(CCc2ccccc2)CC2CCN(C)CC2)CC1=O ZINC000012713720 558454182 /nfs/dbraw/zinc/45/41/82/558454182.db2.gz JXSZQAKXMLWFKF-NRFANRHFSA-N 0 3 401.551 1.894 50 0 HDAAHN COc1ccc([C@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)N2CCCC2)cc1 ZINC000012792153 558466290 /nfs/dbraw/zinc/46/62/90/558466290.db2.gz MMFBEDWQOFWBNK-SFHVURJKSA-N 0 3 414.506 1.813 50 0 HDAAHN O[C@H]1CN(Cc2cccc(-n3cccn3)c2)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000022892389 558518895 /nfs/dbraw/zinc/51/88/95/558518895.db2.gz VDJKQHIHRAVHKB-VXKWHMMOSA-N 0 3 404.518 1.635 50 0 HDAAHN CN1CCN(CCCN[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000022972170 558528567 /nfs/dbraw/zinc/52/85/67/558528567.db2.gz LSXVCRJOJJOTST-INIZCTEOSA-N 0 3 409.328 1.308 50 0 HDAAHN CN(C)C1(CNC(=O)[C@@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)CCCCC1 ZINC000014157413 558625788 /nfs/dbraw/zinc/62/57/88/558625788.db2.gz QTMZIOSSLONQKO-KRWDZBQOSA-N 0 3 418.563 1.981 50 0 HDAAHN CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1cccc(O)c1)CC2 ZINC000014745652 558668922 /nfs/dbraw/zinc/66/89/22/558668922.db2.gz AJGQELZKBKTSAF-UHFFFAOYSA-N 0 3 402.495 1.522 50 0 HDAAHN COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN([C@H](C)COC)CC2 ZINC000014751859 558671072 /nfs/dbraw/zinc/67/10/72/558671072.db2.gz HNQLIGKXWOHCHE-QGZVFWFLSA-N 0 3 415.534 1.934 50 0 HDAAHN CCN1CCN(CCCNC(=O)c2c(C)oc3ncnc(N4CCOCC4)c32)CC1 ZINC000022937132 558678893 /nfs/dbraw/zinc/67/88/93/558678893.db2.gz STCQLZDNZOIDLZ-UHFFFAOYSA-N 0 3 416.526 1.125 50 0 HDAAHN CC(C)CC(=O)C(=O)N1CCC(N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000014968790 558686677 /nfs/dbraw/zinc/68/66/77/558686677.db2.gz LEONRDVYPGZXRS-IBGZPJMESA-N 0 3 407.555 1.600 50 0 HDAAHN CCN1CCN(CCNC(=O)CCC(=O)N2C[C@H]3CCCN3c3ccccc32)CC1 ZINC000022937389 558725010 /nfs/dbraw/zinc/72/50/10/558725010.db2.gz SGEUSVJUOWXPSW-LJQANCHMSA-N 0 3 413.566 1.536 50 0 HDAAHN NC(=O)CSc1nn2c(nc3c(c2=O)CN(CCc2ccccc2)CC3)s1 ZINC000015414140 558738733 /nfs/dbraw/zinc/73/87/33/558738733.db2.gz GQJFBSKFCBZSJY-UHFFFAOYSA-N 0 3 401.517 1.329 50 0 HDAAHN Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1 ZINC000015671298 558748529 /nfs/dbraw/zinc/74/85/29/558748529.db2.gz XBJINNSGPISJNH-UHFFFAOYSA-N 0 3 417.535 1.441 50 0 HDAAHN NS(=O)(=O)c1ccc(CCN[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000018250403 558834711 /nfs/dbraw/zinc/83/47/11/558834711.db2.gz FFUITZZYGCXRLQ-INIZCTEOSA-N 0 3 407.879 1.452 50 0 HDAAHN CCN1CCC[C@H]1CN(CC(=O)N(C)C)C(=O)c1nn(CC)c(=O)c2ccccc21 ZINC000058223626 558913177 /nfs/dbraw/zinc/91/31/77/558913177.db2.gz ATMSMPATCNXWDQ-INIZCTEOSA-N 0 3 413.522 1.431 50 0 HDAAHN Cn1c2ccccc2n(CCC(=O)NCc2ccc(N3CCCN(C)CC3)nc2)c1=O ZINC000058265343 558915530 /nfs/dbraw/zinc/91/55/30/558915530.db2.gz LLQGYJKIVCKMKS-UHFFFAOYSA-N 0 3 422.533 1.583 50 0 HDAAHN CCN1CCN(CCNC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000033254515 558918360 /nfs/dbraw/zinc/91/83/60/558918360.db2.gz IOTBIFZXGSMQFM-UHFFFAOYSA-N 0 3 422.595 1.231 50 0 HDAAHN CN1CCN(CCCNC(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 ZINC000033060249 558954358 /nfs/dbraw/zinc/95/43/58/558954358.db2.gz OZUXZHSIPJFSQR-UHFFFAOYSA-N 0 3 406.487 1.297 50 0 HDAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)n1 ZINC000072446910 558982672 /nfs/dbraw/zinc/98/26/72/558982672.db2.gz MEAJOFLBWLYRRP-UHFFFAOYSA-N 0 3 408.506 1.464 50 0 HDAAHN Cc1noc(C)c1S(=O)(=O)N1CCN(c2cc(N3CCCCC3)nc(C)n2)CC1 ZINC000067603742 558988188 /nfs/dbraw/zinc/98/81/88/558988188.db2.gz BGOIKEUVKKQISK-UHFFFAOYSA-N 0 3 420.539 1.891 50 0 HDAAHN COCCN(C)CCN1CC2(CCN(C(=O)c3cccnc3OC)CC2)OC1=O ZINC000077322618 559001465 /nfs/dbraw/zinc/00/14/65/559001465.db2.gz OHIHDBQWKWXRLJ-UHFFFAOYSA-N 0 3 406.483 1.095 50 0 HDAAHN CCN1CCN(CCCN2CC3(CCN(c4nccc(NC)n4)CC3)OC2=O)CC1 ZINC000077338032 559001700 /nfs/dbraw/zinc/00/17/00/559001700.db2.gz MBDLAVGNVSRTOK-UHFFFAOYSA-N 0 3 417.558 1.337 50 0 HDAAHN CSCCC(=O)N1CCC2(CN(CCN3CCN(C(C)C)CC3)C(=O)O2)CC1 ZINC000077356173 559002367 /nfs/dbraw/zinc/00/23/67/559002367.db2.gz QFJQXBSTCKMCPA-UHFFFAOYSA-N 0 3 412.600 1.579 50 0 HDAAHN Cc1cn2cc(CNC(=O)c3ccc(CN4CCC[C@@H]4CCO)[nH]c3=O)nc2s1 ZINC000077486821 559007064 /nfs/dbraw/zinc/00/70/64/559007064.db2.gz PRJANKYCWPUNHV-MRXNPFEDSA-N 0 3 415.519 1.669 50 0 HDAAHN Cc1cn2cc(CNC(=O)c3ccc(CN4CCC[C@H]4CCO)[nH]c3=O)nc2s1 ZINC000077486824 559007100 /nfs/dbraw/zinc/00/71/00/559007100.db2.gz PRJANKYCWPUNHV-INIZCTEOSA-N 0 3 415.519 1.669 50 0 HDAAHN CCN1CCN(CCCN2CC3(CCN(C(=O)[C@@H]4CC4(C)C)CC3)OC2=O)CC1 ZINC000077504937 559007565 /nfs/dbraw/zinc/00/75/65/559007565.db2.gz YDLHUNCBFYCZDA-SFHVURJKSA-N 0 3 406.571 1.874 50 0 HDAAHN CN1CCCC[C@@H]1C(=O)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1 ZINC000091907764 559074580 /nfs/dbraw/zinc/07/45/80/559074580.db2.gz QDLYADVCJCTMQK-LJQANCHMSA-N 0 3 401.555 1.989 50 0 HDAAHN CN(C)C(=O)CN1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000095501438 559082394 /nfs/dbraw/zinc/08/23/94/559082394.db2.gz FYJFNSUGGABDNW-NRFANRHFSA-N 0 3 400.567 1.958 50 0 HDAAHN COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)c3c[nH]c(=O)[n-]c3=O)C2)cc1 ZINC000095507680 559083342 /nfs/dbraw/zinc/08/33/42/559083342.db2.gz DVADSUCRSWUDDE-MRXNPFEDSA-N 0 3 400.479 1.099 50 0 HDAAHN COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)c3c[nH]c(=O)[n-]c3=O)C2)cc1 ZINC000095507680 559083343 /nfs/dbraw/zinc/08/33/43/559083343.db2.gz DVADSUCRSWUDDE-MRXNPFEDSA-N 0 3 400.479 1.099 50 0 HDAAHN Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc(=O)[nH]1 ZINC000095510583 559083769 /nfs/dbraw/zinc/08/37/69/559083769.db2.gz SRGKNDYKPHRZAJ-KRWDZBQOSA-N 0 3 402.539 1.868 50 0 HDAAHN Cc1ccc(Cn2c3c(nc2N2CCN(CC(C)C)CC2)n(C)c(=O)[nH]c3=O)cc1 ZINC000005147917 559252798 /nfs/dbraw/zinc/25/27/98/559252798.db2.gz HHVIOJBQIRXFNH-UHFFFAOYSA-N 0 3 410.522 1.558 50 0 HDAAHN CC(C)CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)CC1 ZINC000005147933 559252893 /nfs/dbraw/zinc/25/28/93/559252893.db2.gz MKLDXAZUQLYOQL-UHFFFAOYSA-N 0 3 424.549 1.834 50 0 HDAAHN Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(c1ccccc1)=NN3CCN1CCCCC1 ZINC000005148098 559252918 /nfs/dbraw/zinc/25/29/18/559252918.db2.gz HDMNCEOSELISLV-UHFFFAOYSA-N 0 3 421.505 1.144 50 0 HDAAHN CN(C)[C@H](CNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)c1ccccc1 ZINC000011998161 559270045 /nfs/dbraw/zinc/27/00/45/559270045.db2.gz CIMJCOCBJIQNAX-GOSISDBHSA-N 0 3 401.488 1.786 50 0 HDAAHN O=C(CN1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O)N1CCOCC1 ZINC000426555462 559274827 /nfs/dbraw/zinc/27/48/27/559274827.db2.gz INMBDLPIHWSTGH-NRFANRHFSA-N 0 3 407.461 1.638 50 0 HDAAHN COc1cccc(C2=NO[C@@H]3[C@@H]4C[C@H]([C@H]23)[C@H]2C(=O)N(CCN(C)C)C(=O)[C@@H]42)c1OC ZINC000005488411 560597667 /nfs/dbraw/zinc/59/76/67/560597667.db2.gz PDGGZHFADDVANG-DLJSNBOKSA-N 0 3 413.474 1.235 50 0 HDAAHN CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2NCCCN2CCCCCC2)CC1 ZINC000101535662 560797003 /nfs/dbraw/zinc/79/70/03/560797003.db2.gz WKWBHLNFGUONDQ-UHFFFAOYSA-N 0 3 406.527 1.993 50 0 HDAAHN CCOC(=O)[C@H]1CCCN(c2c(=O)c(=O)c2NCCCN2C[C@H](C)C[C@H](C)C2)C1 ZINC000101529890 560797048 /nfs/dbraw/zinc/79/70/48/560797048.db2.gz IPPKHPDKOSWXBU-BBWFWOEESA-N 0 3 405.539 1.842 50 0 HDAAHN CCOC(=O)[C@@H]1CCCN(c2c(=O)c(=O)c2NCCCN2C[C@H](C)C[C@H](C)C2)C1 ZINC000101529884 560797062 /nfs/dbraw/zinc/79/70/62/560797062.db2.gz IPPKHPDKOSWXBU-IXDOHACOSA-N 0 3 405.539 1.842 50 0 HDAAHN COc1cccc(-c2noc3c(O)n(-c4ccc5c(c4)OCCO5)c(O)c23)c1OC ZINC000102893671 560833094 /nfs/dbraw/zinc/83/30/94/560833094.db2.gz SHOCKRJNZFYLNQ-QFBILLFUSA-N 0 3 410.382 1.768 50 0 HDAAHN Cn1c2ncn(CCN3CCC(c4c[nH]c5ccccc54)CC3)c2c(=O)n(C)c1=O ZINC000000538412 560841983 /nfs/dbraw/zinc/84/19/83/560841983.db2.gz OJOSYHJYEWUYGU-UHFFFAOYSA-N 0 3 406.490 1.795 50 0 in-man HDAAHN COCCC(=O)N1CCC2(CC1)C[C@@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000575560106 560855593 /nfs/dbraw/zinc/85/55/93/560855593.db2.gz WPFWWDZHPCZFAM-IBGZPJMESA-N 0 3 402.539 1.780 50 0 HDAAHN O=C(Cn1c(=O)cnc2ccccc21)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000107542526 560896630 /nfs/dbraw/zinc/89/66/30/560896630.db2.gz ZGLWIVNOBGHCMG-MOPGFXCFSA-N 0 3 406.486 1.396 50 0 HDAAHN O[C@@H](COc1ccccc1CNCCN1CCC(O)CC1)CN1CCSCC1 ZINC000020999165 568453931 /nfs/dbraw/zinc/45/39/31/568453931.db2.gz HMNJTSRVCNLZLB-HXUWFJFHSA-N 0 3 409.596 1.021 50 0 HDAAHN CCN1CCN(CCCNC(=O)CCc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000020181786 568593033 /nfs/dbraw/zinc/59/30/33/568593033.db2.gz LVANAVCNMSVCLY-UHFFFAOYSA-N 0 3 401.511 1.822 50 0 HDAAHN Cc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1NC(=O)C1=CSCCO1 ZINC000021019762 568658178 /nfs/dbraw/zinc/65/81/78/568658178.db2.gz XAHVQLFQEFGJES-UHFFFAOYSA-N 0 3 418.563 1.906 50 0 HDAAHN O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCN2CCOCC2)CC1 ZINC000299775417 568874527 /nfs/dbraw/zinc/87/45/27/568874527.db2.gz JQFWYAUWGRMQBC-OAQYLSRUSA-N 0 3 421.513 1.229 50 0 HDAAHN Cc1nncn1CCN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299799798 568876644 /nfs/dbraw/zinc/87/66/44/568876644.db2.gz SOPJDSCBIHTBQY-HXUWFJFHSA-N 0 3 417.485 1.496 50 0 HDAAHN CCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2F)CC1 ZINC000004316515 568962324 /nfs/dbraw/zinc/96/23/24/568962324.db2.gz KEIBPXXRDRBMOT-UHFFFAOYSA-N 0 3 414.485 1.533 50 0 HDAAHN O=C(NCCN1CCCCC1)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1 ZINC000015777507 569001286 /nfs/dbraw/zinc/00/12/86/569001286.db2.gz ALZOFSQEQZHWNZ-UHFFFAOYSA-N 0 3 420.583 1.874 50 0 HDAAHN C[C@@H](C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1)n1nnnc1C(C)(C)C ZINC000222182032 569039758 /nfs/dbraw/zinc/03/97/58/569039758.db2.gz PHBJJIZLVQYXDD-GOEBONIOSA-N 0 3 413.526 1.868 50 0 HDAAHN O=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000229985588 569040742 /nfs/dbraw/zinc/04/07/42/569040742.db2.gz ZGLWIVNOBGHCMG-RTBURBONSA-N 0 3 406.486 1.396 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)[C@H](CCSC)n1c(=O)[nH]c2ccccc2c1=O ZINC000524734009 569214047 /nfs/dbraw/zinc/21/40/47/569214047.db2.gz MXBGCQWCSROUDG-PBHICJAKSA-N 0 3 404.536 1.997 50 0 HDAAHN C[C@@H](C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1)n1nnc(-c2ccccc2)n1 ZINC000170601433 569243133 /nfs/dbraw/zinc/24/31/33/569243133.db2.gz MQMPZNSQYGDVHE-MBSDFSHPSA-N 0 3 420.517 1.997 50 0 HDAAHN C[C@@H](C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1)n1nnc(-c2ccccc2)n1 ZINC000170601431 569243242 /nfs/dbraw/zinc/24/32/42/569243242.db2.gz MQMPZNSQYGDVHE-FDDCHVKYSA-N 0 3 420.517 1.997 50 0 HDAAHN O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(O[C@@H]4CCC[NH2+]C4)cc3)cc2c(=O)[nH]1 ZINC000253537650 569383004 /nfs/dbraw/zinc/38/30/04/569383004.db2.gz AAEZBEQEJUVXSE-CQSZACIVSA-N 0 3 416.459 1.973 50 0 HDAAHN CCN(CC)C[C@H](NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1ccccc1 ZINC000040069650 571150217 /nfs/dbraw/zinc/15/02/17/571150217.db2.gz VLAUGNODLRCSPT-SFHVURJKSA-N 0 3 409.490 1.445 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)[C@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000245276781 571222406 /nfs/dbraw/zinc/22/24/06/571222406.db2.gz WBTQCHLHWMXQJH-GJZGRUSLSA-N 0 3 404.540 1.276 50 0 HDAAHN CCc1ccc(-c2cc3c(=O)n(CC(=O)NC[C@H]4CCCN4CC)ncn3n2)cc1 ZINC000009727258 571282410 /nfs/dbraw/zinc/28/24/10/571282410.db2.gz FVVJZRJTWBCVOE-GOSISDBHSA-N 0 3 408.506 1.721 50 0 HDAAHN CCn1cc(C(=O)NCCCN(C)C)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 ZINC000004083065 132270898 /nfs/dbraw/zinc/27/08/98/132270898.db2.gz XODDLBVQHQTKSX-UHFFFAOYSA-N 0 3 417.529 1.594 50 0 HDAAHN CN1C(=O)COc2ccc(NC(=O)C(=O)NC3CCN(Cc4ccccc4)CC3)cc21 ZINC000044901337 523696000 /nfs/dbraw/zinc/69/60/00/523696000.db2.gz VFOZGYHNVYXLHJ-UHFFFAOYSA-N 0 3 422.485 1.761 50 0 HDAAHN COc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)cc1 ZINC000001246473 557251097 /nfs/dbraw/zinc/25/10/97/557251097.db2.gz KQHOZNLYLAZSEB-SFHVURJKSA-N 0 3 414.506 1.133 50 0 HDAAHN COc1cc(CNCCSc2nnnn2C)ccc1OCC(=O)NC(C)(C)C ZINC000006882441 557728624 /nfs/dbraw/zinc/72/86/24/557728624.db2.gz RRGUNDOPHAMEJB-UHFFFAOYSA-N 0 3 408.528 1.394 50 0 HDAAHN CCc1c(C(=O)NCCCN2CCOCC2)c(=O)cc(C)n1CCN1CCCCC1 ZINC000020119363 558336828 /nfs/dbraw/zinc/33/68/28/558336828.db2.gz VLFMACXGMZRMKQ-UHFFFAOYSA-N 0 3 418.582 1.657 50 0 HDAAHN Cc1cc(C)nc(CCNCc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)n1 ZINC000020138129 558337981 /nfs/dbraw/zinc/33/79/81/558337981.db2.gz PEHHXGUIFOSXSU-UHFFFAOYSA-N 0 3 408.506 1.854 50 0 HDAAHN COc1cc(CNCCn2nc(C)cc2C)ccc1OC[C@H](O)CN1CCOCC1 ZINC000020451251 558365688 /nfs/dbraw/zinc/36/56/88/558365688.db2.gz TUOYMOWYFNNKSD-HXUWFJFHSA-N 0 3 418.538 1.370 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CCC2=NNC(=O)CC2)CC1 ZINC000012304306 558373596 /nfs/dbraw/zinc/37/35/96/558373596.db2.gz XCCCKENXULKAMZ-LJQANCHMSA-N 0 3 419.570 1.652 50 0 HDAAHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](N(CCO)Cc1ccccc1)C2 ZINC000020534343 558385525 /nfs/dbraw/zinc/38/55/25/558385525.db2.gz MEICPYANCPTQDU-SFHVURJKSA-N 0 3 414.575 1.961 50 0 HDAAHN COc1ccc(CN(C)CCN2CCOCC2)cc1OC[C@H](O)CN1CCCCC1 ZINC000020916255 558422692 /nfs/dbraw/zinc/42/26/92/558422692.db2.gz CARHYAINAUSIRO-OAQYLSRUSA-N 0 3 421.582 1.685 50 0 HDAAHN Cc1cccn2c(CNCCN3CCCC[C@H]3CO)c(C(=O)N3CCOCC3)nc12 ZINC000020996363 558426747 /nfs/dbraw/zinc/42/67/47/558426747.db2.gz ZIHPTDVTNZTCHZ-SFHVURJKSA-N 0 3 415.538 1.052 50 0 HDAAHN COCCN1C[C@H](C(=O)N(CCc2ccccc2)CC2CCN(C)CC2)CC1=O ZINC000012713724 558454063 /nfs/dbraw/zinc/45/40/63/558454063.db2.gz JXSZQAKXMLWFKF-OAQYLSRUSA-N 0 3 401.551 1.894 50 0 HDAAHN NS(=O)(=O)c1ccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000022197575 558466327 /nfs/dbraw/zinc/46/63/27/558466327.db2.gz TWKVITUONQBAJI-UHFFFAOYSA-N 0 3 402.520 1.480 50 0 HDAAHN C[C@H](C1CCN(C(=O)Cn2nnnc2CN2CCCCCC2)CC1)N1CCOCC1 ZINC000023339139 558550404 /nfs/dbraw/zinc/55/04/04/558550404.db2.gz JHBUYDNUXXMFFH-GOSISDBHSA-N 0 3 419.574 1.008 50 0 HDAAHN CCN1CCN(CCCNC(=O)C2CCN(c3ncnc4onc(C)c43)CC2)CC1 ZINC000022937211 558723945 /nfs/dbraw/zinc/72/39/45/558723945.db2.gz RYIVGENVNADEJB-UHFFFAOYSA-N 0 3 415.542 1.286 50 0 HDAAHN CCCN1CCN(CCCNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1 ZINC000022938128 558726850 /nfs/dbraw/zinc/72/68/50/558726850.db2.gz XIRNPQIGEIKIDR-UHFFFAOYSA-N 0 3 422.595 1.637 50 0 HDAAHN C[C@@H]1CCCCN1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(F)cc1 ZINC000035422034 558791808 /nfs/dbraw/zinc/79/18/08/558791808.db2.gz XHBBFESXQJUVGJ-GOSISDBHSA-N 0 3 404.530 1.964 50 0 HDAAHN CN(C)CCn1ccc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)n1 ZINC000058168050 558907425 /nfs/dbraw/zinc/90/74/25/558907425.db2.gz NBPRYMWOICXCFY-JOCHJYFZSA-N 0 3 424.505 1.772 50 0 HDAAHN NS(=O)(=O)c1ccc(CCN[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000019597007 558946304 /nfs/dbraw/zinc/94/63/04/558946304.db2.gz PQMKEUWLXYVFCS-MRXNPFEDSA-N 0 3 407.879 1.452 50 0 HDAAHN CCN1CCN(CCNC(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 ZINC000033060262 558954619 /nfs/dbraw/zinc/95/46/19/558954619.db2.gz VDDAELLMXIHTJT-UHFFFAOYSA-N 0 3 406.487 1.297 50 0 HDAAHN CCn1c2ccccc2n(CC(=O)NCCCN(C)Cc2ccccc2)c(=O)c1=O ZINC000033068489 558962849 /nfs/dbraw/zinc/96/28/49/558962849.db2.gz OLYVDJNDKUJSST-UHFFFAOYSA-N 0 3 408.502 1.821 50 0 HDAAHN CC(=O)Nc1ccc(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1 ZINC000065364261 558975294 /nfs/dbraw/zinc/97/52/94/558975294.db2.gz UFRZZTHGTPJWMJ-UHFFFAOYSA-N 0 3 418.523 1.734 50 0 HDAAHN COc1ccc(Cl)cc1N([C@@H](C)C(=O)NC1CCN(C)CC1)S(C)(=O)=O ZINC000067612935 558989031 /nfs/dbraw/zinc/98/90/31/558989031.db2.gz NELHAVFMUIRRJY-LBPRGKRZSA-N 0 3 403.932 1.714 50 0 HDAAHN CCCCN1CCN([C@H](C(=O)N(C)C2CCN(C)CC2)c2ccccc2)C(=O)C1=O ZINC000077376243 559002633 /nfs/dbraw/zinc/00/26/33/559002633.db2.gz LKVWTTXVMDYOIG-FQEVSTJZSA-N 0 3 414.550 1.751 50 0 HDAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1nc3ncccn3n1)C2 ZINC000095356963 559079912 /nfs/dbraw/zinc/07/99/12/559079912.db2.gz YOAFKDMKLCDVKI-OPYAIIAOSA-N 0 3 400.527 1.464 50 0 HDAAHN COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CN1CCCC[C@H]1C)CC2 ZINC000095528091 559086335 /nfs/dbraw/zinc/08/63/35/559086335.db2.gz VPZPZHARTXQHIG-MRXNPFEDSA-N 0 3 403.527 1.133 50 0 HDAAHN COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)CN1CCCC[C@H]1C)CC2 ZINC000095528091 559086337 /nfs/dbraw/zinc/08/63/37/559086337.db2.gz VPZPZHARTXQHIG-MRXNPFEDSA-N 0 3 403.527 1.133 50 0 HDAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1cc(=O)n(C)c(=O)n1C ZINC000011698671 559189734 /nfs/dbraw/zinc/18/97/34/559189734.db2.gz SEHPXAVMBWGUIL-UHFFFAOYSA-N 0 3 416.497 1.250 50 0 HDAAHN Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)NCCN4CCCCCC4)C3)sc2n1 ZINC000005149140 559253208 /nfs/dbraw/zinc/25/32/08/559253208.db2.gz VOGBCOZHVLCTLO-MRXNPFEDSA-N 0 3 418.567 1.668 50 0 HDAAHN COc1cccc(-c2noc3c(O)n(-c4ccc5c(c4)OCCO5)c(O)c23)c1OC ZINC000101296119 560791030 /nfs/dbraw/zinc/79/10/30/560791030.db2.gz SHOCKRJNZFYLNQ-APWZRJJASA-N 0 3 410.382 1.768 50 0 HDAAHN CCN1CCN(CCCNC(=O)COc2cc(=O)n(CC)c3ccccc23)CC1 ZINC000020280335 568596701 /nfs/dbraw/zinc/59/67/01/568596701.db2.gz LQNCASVUMUAOJE-UHFFFAOYSA-N 0 3 400.523 1.544 50 0 HDAAHN CN1CCN(CCCNC(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)CC1 ZINC000020414915 568605977 /nfs/dbraw/zinc/60/59/77/568605977.db2.gz LUCATTWQBQAFBM-QGZVFWFLSA-N 0 3 417.583 1.299 50 0 HDAAHN CCN1CCN(CCNC(=O)c2cccn2-c2nnc(N3CCCC3)s2)CC1 ZINC000020980810 568654614 /nfs/dbraw/zinc/65/46/14/568654614.db2.gz IWBCXUQIVNRZCX-UHFFFAOYSA-N 0 3 403.556 1.296 50 0 HDAAHN CCN1CCN(CCCNC(=O)c2ccc3c(c2)N(C)C(=O)[C@H]2CCCCN32)CC1 ZINC000021938619 568762867 /nfs/dbraw/zinc/76/28/67/568762867.db2.gz QIZMWIHEUCNAEY-HXUWFJFHSA-N 0 3 413.566 1.779 50 0 HDAAHN O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCn2cncn2)CC1 ZINC000299792616 568876054 /nfs/dbraw/zinc/87/60/54/568876054.db2.gz FGSHAAOHOSCIAX-IBGZPJMESA-N 0 3 403.458 1.188 50 0 HDAAHN O=C(COc1ccccc1)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 ZINC000299793512 568876084 /nfs/dbraw/zinc/87/60/84/568876084.db2.gz HJSDFMNTGBUMKW-HXUWFJFHSA-N 0 3 401.507 1.426 50 0 HDAAHN O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670437230 568878274 /nfs/dbraw/zinc/87/82/74/568878274.db2.gz WSALSOSEVPPJSF-WHKWTHTOSA-N 0 3 405.498 1.642 50 0 HDAAHN COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)N(C)C)cc1 ZINC000003419808 568899733 /nfs/dbraw/zinc/89/97/33/568899733.db2.gz QAODNASOOKMGMA-IBGZPJMESA-N 0 3 405.520 1.978 50 0 HDAAHN Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCN4CCCC4)C3)ccc21 ZINC000015784488 568922582 /nfs/dbraw/zinc/92/25/82/568922582.db2.gz VWLMZEHMTXPECR-GOSISDBHSA-N 0 3 418.563 1.791 50 0 HDAAHN Cc1cc(C)n(CCCC(=O)N[C@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)n1 ZINC000670451860 568926760 /nfs/dbraw/zinc/92/67/60/568926760.db2.gz WNSGSOLQTKFRES-GWHCDVRWSA-N 0 3 407.562 1.964 50 0 HDAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccccc1-c1nc[nH]n1 ZINC000670456672 568937332 /nfs/dbraw/zinc/93/73/32/568937332.db2.gz VGNPRVRSWMYOQY-LBVATQBMSA-N 0 3 414.513 1.769 50 0 HDAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccccc1-c1nnc[nH]1 ZINC000670456672 568937335 /nfs/dbraw/zinc/93/73/35/568937335.db2.gz VGNPRVRSWMYOQY-LBVATQBMSA-N 0 3 414.513 1.769 50 0 HDAAHN Cc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H](N)CC(C)C)CC2)cc1 ZINC000004083974 568939471 /nfs/dbraw/zinc/93/94/71/568939471.db2.gz VKTKIEBEEYNUSW-PXNSSMCTSA-N 0 3 416.566 1.728 50 0 biogenic HDAAHN CCn1c(=O)c2ccccc2n(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1=O ZINC000015657934 568959343 /nfs/dbraw/zinc/95/93/43/568959343.db2.gz LXWYUBZWIZVPSJ-UHFFFAOYSA-N 0 3 420.513 1.964 50 0 HDAAHN Cn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCCN4CCCC4)CC3)ccc21 ZINC000015784240 569003463 /nfs/dbraw/zinc/00/34/63/569003463.db2.gz OFZRJYBMVQDENM-UHFFFAOYSA-N 0 3 418.563 1.791 50 0 HDAAHN CCn1c(=O)c(=O)n(CC(=O)NCCCN2CCc3ccccc3C2)c2cccnc21 ZINC000035449878 569037624 /nfs/dbraw/zinc/03/76/24/569037624.db2.gz JDFBTGLDYYUHPV-UHFFFAOYSA-N 0 3 421.501 1.143 50 0 HDAAHN Cc1ccccc1CN1CCN(CCCNC(=O)c2nc(-c3cncnc3)no2)CC1 ZINC000064459811 569063005 /nfs/dbraw/zinc/06/30/05/569063005.db2.gz VSRNEAXPMMJSIP-UHFFFAOYSA-N 0 3 421.505 1.773 50 0 HDAAHN O=C(CN1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O)N1CCOCC1 ZINC000426656973 569073745 /nfs/dbraw/zinc/07/37/45/569073745.db2.gz PYSHAEZWNFEYPC-NRFANRHFSA-N 0 3 407.461 1.638 50 0 HDAAHN CCN1CCN(CCNC(=O)[C@@H](C)n2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000064776044 569093658 /nfs/dbraw/zinc/09/36/58/569093658.db2.gz AGOPCXMBKPJHGR-MRXNPFEDSA-N 0 3 410.522 1.203 50 0 HDAAHN CCN1CCN(CCNC(=O)[C@H](C)n2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000064776045 569093741 /nfs/dbraw/zinc/09/37/41/569093741.db2.gz AGOPCXMBKPJHGR-INIZCTEOSA-N 0 3 410.522 1.203 50 0 HDAAHN O=C(NCCN1CCCCCC1)c1cc(=O)nc2sc(N3CCCCC3)nn21 ZINC000064836268 569104694 /nfs/dbraw/zinc/10/46/94/569104694.db2.gz BNNMEVPWLNSQMM-UHFFFAOYSA-N 0 3 404.540 1.747 50 0 HDAAHN CN(C)CCNC(=O)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)C1 ZINC000064928784 569123716 /nfs/dbraw/zinc/12/37/16/569123716.db2.gz QNTLPJAMUWYLHL-HNNXBMFYSA-N 0 3 403.914 1.780 50 0 HDAAHN C[C@H]1CCCCN1CCNC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O ZINC000006798603 569126553 /nfs/dbraw/zinc/12/65/53/569126553.db2.gz VGBCORLKNCGADY-AWEZNQCLSA-N 0 3 400.508 1.610 50 0 HDAAHN CCn1c2c(C(=O)N3CCN(c4ccccc4)CC3)cnn2c(=O)c2c1CCNC2 ZINC000064966168 569137345 /nfs/dbraw/zinc/13/73/45/569137345.db2.gz IRCCGDDWUWGMQD-UHFFFAOYSA-N 0 3 406.490 1.124 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)[C@H](CCSC)n1c(=O)[nH]c2ccccc2c1=O ZINC000524734010 569214034 /nfs/dbraw/zinc/21/40/34/569214034.db2.gz MXBGCQWCSROUDG-YOEHRIQHSA-N 0 3 404.536 1.997 50 0 HDAAHN O=C(CN1c2ccc(F)cc2C(=O)N2CCC[C@@H]2C1=O)NCCN1CCCCC1 ZINC000065306877 569220814 /nfs/dbraw/zinc/22/08/14/569220814.db2.gz WHAAMSNXTXJSGH-GOSISDBHSA-N 0 3 402.470 1.379 50 0 HDAAHN CC(C)Cn1c2c(nc1N1CCN(CCCc3ccccc3)CC1)n(C)c(=O)[nH]c2=O ZINC000007424123 569237962 /nfs/dbraw/zinc/23/79/62/569237962.db2.gz JOWAOUYHEWMWEY-UHFFFAOYSA-N 0 3 424.549 1.834 50 0 HDAAHN O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000170625392 569250063 /nfs/dbraw/zinc/25/00/63/569250063.db2.gz RFOCGFDKDOBFDE-IBGZPJMESA-N 0 3 410.474 1.871 50 0 HDAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)c4cnn(C)c4)CC3)C2)CC1 ZINC000581819689 569320831 /nfs/dbraw/zinc/32/08/31/569320831.db2.gz CBMBWWHLGHRZMV-HXUWFJFHSA-N 0 3 403.571 1.848 50 0 HDAAHN CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](CN3CCCCC3)[C@H]1[C@@H]2O ZINC000012877508 569404409 /nfs/dbraw/zinc/40/44/09/569404409.db2.gz VHWHLUAIVKKCCK-FVBXKQQTSA-N 0 3 409.523 1.350 50 0 biogenic HDAAHN COC1CCN(CCNC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CC1 ZINC000079026244 569424916 /nfs/dbraw/zinc/42/49/16/569424916.db2.gz ZIIFNSFHQDVTIC-LLVKDONJSA-N 0 3 418.357 1.856 50 0 HDAAHN Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCCN1CCN(c2ccccc2)CC1 ZINC000009421146 132339501 /nfs/dbraw/zinc/33/95/01/132339501.db2.gz OEGYFMUGPRIQHU-UHFFFAOYSA-N 0 3 421.505 1.197 50 0 HDAAHN Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCN3CCOCC3)C2)CC1 ZINC000012305534 132358313 /nfs/dbraw/zinc/35/83/13/132358313.db2.gz QKJHUDCEHICQFE-NRFANRHFSA-N 0 3 400.567 1.830 50 0 HDAAHN Cc1ccc(S(=O)(=O)N(CCCN2CCCC2)CCC(=O)N2CCNCC2)cc1 ZINC000045945167 525510405 /nfs/dbraw/zinc/51/04/05/525510405.db2.gz UZOKJDKJFGGFQM-UHFFFAOYSA-N 0 3 422.595 1.294 50 0 HDAAHN C[N@@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)[N-]C(=O)N(C(C)(C)C)C3=O)[C@H]2C1 ZINC000009111487 536427724 /nfs/dbraw/zinc/42/77/24/536427724.db2.gz GAPJEHCZNLQGOM-FOIQADDNSA-N 0 3 404.898 1.880 50 0 HDAAHN C[N@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)[N-]C(=O)N(C(C)(C)C)C3=O)[C@H]2C1 ZINC000009111487 536427726 /nfs/dbraw/zinc/42/77/26/536427726.db2.gz GAPJEHCZNLQGOM-FOIQADDNSA-N 0 3 404.898 1.880 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN([C@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 ZINC000001214814 557245185 /nfs/dbraw/zinc/24/51/85/557245185.db2.gz NDZYVJKKAZUJAO-IBGZPJMESA-N 0 3 412.534 1.162 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN([C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 ZINC000001246678 557251154 /nfs/dbraw/zinc/25/11/54/557251154.db2.gz MTXMMRNMKNDOQH-KRWDZBQOSA-N 0 3 418.925 1.778 50 0 HDAAHN C[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008744221 557804359 /nfs/dbraw/zinc/80/43/59/557804359.db2.gz YBJCGHBXEDJUGC-LBPRGKRZSA-N 0 3 403.433 1.470 50 0 HDAAHN COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CC[C@H](N(C)C)C3)cc2)CC1 ZINC000011768534 558274051 /nfs/dbraw/zinc/27/40/51/558274051.db2.gz HAFDOZSZGXNQCU-SFHVURJKSA-N 0 3 403.523 1.869 50 0 HDAAHN O=C(CCN1CCN(CCO)CC1)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000019912460 558306877 /nfs/dbraw/zinc/30/68/77/558306877.db2.gz OLQQCRIMGCTTHK-UHFFFAOYSA-N 0 3 402.539 1.688 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1 ZINC000012201431 558351514 /nfs/dbraw/zinc/35/15/14/558351514.db2.gz UXHSYZXZQRRUII-MRXNPFEDSA-N 0 3 409.552 1.704 50 0 HDAAHN CCCOc1ccc(N2C(=O)C[C@H](NCCCN3CCN(CC)CC3)C2=O)cc1 ZINC000023358740 558551509 /nfs/dbraw/zinc/55/15/09/558551509.db2.gz BFXDZCXFQCKRLC-FQEVSTJZSA-N 0 3 402.539 1.725 50 0 HDAAHN COc1cc(CNCc2cnn(C)c2C)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000015076450 558716665 /nfs/dbraw/zinc/71/66/65/558716665.db2.gz WRNGPSPCQBMGGN-IBGZPJMESA-N 0 3 420.579 1.815 50 0 HDAAHN COC(=O)C1=C(N)Oc2cc(C)n(CCN(C)C)c(=O)c2[C@H]1c1ccccc1F ZINC000004570644 558742825 /nfs/dbraw/zinc/74/28/25/558742825.db2.gz HLHACDMDERCYAH-MRXNPFEDSA-N 0 3 401.438 1.725 50 0 HDAAHN O=C(Cn1c2ccccc2c(=O)n(Cc2ccccc2)c1=O)NCCN1CCCCC1 ZINC000071283157 558765470 /nfs/dbraw/zinc/76/54/70/558765470.db2.gz ZUCDYWUSMYSBPP-UHFFFAOYSA-N 0 3 420.513 1.814 50 0 HDAAHN CCCN1CCN(CCCNC(=O)Cn2c3cc(C)c(C)cc3nc(C)c2=O)CC1 ZINC000022938556 558771022 /nfs/dbraw/zinc/77/10/22/558771022.db2.gz DLDJVTTYKFRMIL-UHFFFAOYSA-N 0 3 413.566 1.856 50 0 HDAAHN COc1ccc(NC(=O)c2nnc(CSCC(=O)NCCN(C)C)s2)cc1 ZINC000032986984 558806964 /nfs/dbraw/zinc/80/69/64/558806964.db2.gz ZRYJZKPOQIINEK-UHFFFAOYSA-N 0 3 409.537 1.710 50 0 HDAAHN COCC1CCN(Cc2cccc(OC)c2OC[C@@H](O)CN2CCOCC2)CC1 ZINC000039405474 558820908 /nfs/dbraw/zinc/82/09/08/558820908.db2.gz VGPRNHXVXZDKGH-FQEVSTJZSA-N 0 3 408.539 1.626 50 0 HDAAHN Cc1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)c(C)c1 ZINC000018250514 558834747 /nfs/dbraw/zinc/83/47/47/558834747.db2.gz DKAKYJMOZRSACW-LJQANCHMSA-N 0 3 412.534 1.741 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN([C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)CC1 ZINC000018286168 558835437 /nfs/dbraw/zinc/83/54/37/558835437.db2.gz OJNZTQNJZNCFET-QGZVFWFLSA-N 0 3 418.925 1.778 50 0 HDAAHN COc1ccc(C(=O)N(CCN2CCCCC2)CC(=O)N2CCNCC2)cc1OC ZINC000033032744 558857051 /nfs/dbraw/zinc/85/70/51/558857051.db2.gz KCDXPPYCTWRGMX-UHFFFAOYSA-N 0 3 418.538 1.064 50 0 HDAAHN Cn1ccnc1SCCNCc1cccc(OC[C@@H](O)CN2CCOCC2)c1 ZINC000019334388 558869363 /nfs/dbraw/zinc/86/93/63/558869363.db2.gz OFKFPQRPDNVRKI-SFHVURJKSA-N 0 3 406.552 1.374 50 0 HDAAHN CN(CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C1CC1 ZINC000058151555 558902541 /nfs/dbraw/zinc/90/25/41/558902541.db2.gz RQJWNGVQEDSIHY-UHFFFAOYSA-N 0 3 405.564 1.786 50 0 HDAAHN CN(C)CCn1ccc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)n1 ZINC000058168049 558907500 /nfs/dbraw/zinc/90/75/00/558907500.db2.gz NBPRYMWOICXCFY-QFIPXVFZSA-N 0 3 424.505 1.772 50 0 HDAAHN C[C@H]1Sc2ccc(C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)cc2NC1=O ZINC000058264407 558915329 /nfs/dbraw/zinc/91/53/29/558915329.db2.gz FXOBBRDJNYDYRA-CZUORRHYSA-N 0 3 404.536 1.792 50 0 HDAAHN COc1ccc(CC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1 ZINC000065364676 558975752 /nfs/dbraw/zinc/97/57/52/558975752.db2.gz UDNFLHKPQTZDFN-UHFFFAOYSA-N 0 3 411.506 1.522 50 0 HDAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1 ZINC000067613906 558989340 /nfs/dbraw/zinc/98/93/40/558989340.db2.gz UVXPOVKBZXLWGW-UHFFFAOYSA-N 0 3 403.433 1.862 50 0 HDAAHN Cc1cn2cc(CNC(=O)c3ccc(CN(C)C4CCOCC4)[nH]c3=O)nc2s1 ZINC000077287861 559000507 /nfs/dbraw/zinc/00/05/07/559000507.db2.gz WJWSQMHMXUGIJT-UHFFFAOYSA-N 0 3 415.519 1.933 50 0 HDAAHN CCOCCC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H]3CCCN(C)C3)ccc2C1 ZINC000077459636 559006190 /nfs/dbraw/zinc/00/61/90/559006190.db2.gz NLYKEFCMCBCNFN-KRWDZBQOSA-N 0 3 423.579 1.618 50 0 HDAAHN COCCN(C)CCN1CC2(CCN(C(=O)c3cnc4ccccn43)CC2)OC1=O ZINC000077470631 559006475 /nfs/dbraw/zinc/00/64/75/559006475.db2.gz AIBJPVLZBZMJBF-UHFFFAOYSA-N 0 3 415.494 1.340 50 0 HDAAHN CCCS(=O)(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082138443 559040455 /nfs/dbraw/zinc/04/04/55/559040455.db2.gz GRPMUKXJAUDSQI-KRWDZBQOSA-N 0 3 408.568 1.614 50 0 HDAAHN COCCn1c(=O)[nH]c2cc(C(=O)NCCN3[C@@H](C)CCC[C@@H]3C)ccc2c1=O ZINC000004791790 559065496 /nfs/dbraw/zinc/06/54/96/559065496.db2.gz YTQNMJFWDBQOMQ-GJZGRUSLSA-N 0 3 402.495 1.329 50 0 HDAAHN COCCn1c(=O)[nH]c2cc(C(=O)NCCCN(C)Cc3ccccc3)ccc2c1=O ZINC000004791347 559065610 /nfs/dbraw/zinc/06/56/10/559065610.db2.gz GAYXUELCVOATAE-UHFFFAOYSA-N 0 3 424.501 1.588 50 0 HDAAHN CCN1CCCC[C@@H]1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC ZINC000095524399 559085790 /nfs/dbraw/zinc/08/57/90/559085790.db2.gz NVHKNGJOJKBSAA-QGZVFWFLSA-N 0 3 403.527 1.133 50 0 HDAAHN CCN1CCCC[C@@H]1C(=O)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)COC ZINC000095524399 559085791 /nfs/dbraw/zinc/08/57/91/559085791.db2.gz NVHKNGJOJKBSAA-QGZVFWFLSA-N 0 3 403.527 1.133 50 0 HDAAHN Cn1c2nc(N3CCNCC3)n(Cc3ccc(Cl)c(Cl)c3)c2c(=O)[nH]c1=O ZINC000005147948 559252910 /nfs/dbraw/zinc/25/29/10/559252910.db2.gz BZANOUCNDKCZSN-UHFFFAOYSA-N 0 3 409.277 1.188 50 0 HDAAHN CC(C)CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)CC1 ZINC000005147932 559252923 /nfs/dbraw/zinc/25/29/23/559252923.db2.gz VVFAOQSHVPARNE-UHFFFAOYSA-N 0 3 410.522 1.444 50 0 HDAAHN Cc1cccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(C(C)(C)C(=O)NCCN(C)C)C3)c1 ZINC000085413591 560772057 /nfs/dbraw/zinc/77/20/57/560772057.db2.gz GBESRDOMCAJYDI-GOSISDBHSA-N 0 3 413.522 1.244 50 0 HDAAHN O=c1occ(CN2CCSCC2)c([O-])c1CN1CC[NH+](C2CCOCC2)CC1 ZINC000101410454 560794389 /nfs/dbraw/zinc/79/43/89/560794389.db2.gz IVCSWRJEXZZUOI-UHFFFAOYSA-N 0 3 409.552 1.191 50 0 HDAAHN CN1CCCN(c2ccc(CNC(=O)c3ccc(Cn4cncn4)cc3)cn2)CC1 ZINC000048235139 568432824 /nfs/dbraw/zinc/43/28/24/568432824.db2.gz MZRBZNSYKPKGOF-UHFFFAOYSA-N 0 3 405.506 1.793 50 0 HDAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)Nc1ccc(-n2cncn2)nc1 ZINC000048326185 568438985 /nfs/dbraw/zinc/43/89/85/568438985.db2.gz YGTIZDICLVRJGO-UHFFFAOYSA-N 0 3 420.521 1.992 50 0 HDAAHN CCN1CCN(CCCNC(=O)CCC(=O)N2C[C@H](C)Oc3ccccc32)CC1 ZINC000020466258 568610340 /nfs/dbraw/zinc/61/03/40/568610340.db2.gz NIQLNGUNPCYTRL-SFHVURJKSA-N 0 3 402.539 1.725 50 0 HDAAHN CN(C[C@@H](O)CN1CCc2ccccc2CC1)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000095446577 568611970 /nfs/dbraw/zinc/61/19/70/568611970.db2.gz YHQJLKRKLSLEFQ-HXUWFJFHSA-N 0 3 416.543 1.624 50 0 HDAAHN CCN1CCC(N(CC(=O)N(CCC(N)=O)c2ccccc2OC)C2CC2)CC1 ZINC000095446698 568611995 /nfs/dbraw/zinc/61/19/95/568611995.db2.gz ABPRYAIHAUSILI-UHFFFAOYSA-N 0 3 402.539 1.852 50 0 HDAAHN Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCN(C2CCOCC2)CC1 ZINC000095476756 568630374 /nfs/dbraw/zinc/63/03/74/568630374.db2.gz INIQCJGGMWEQHZ-UHFFFAOYSA-N 0 3 404.555 1.373 50 0 HDAAHN COC(=O)CC[C@H]1CN(Cc2cc3c(c(OC)c2)OCO3)CC[C@H]1N1CCOCC1 ZINC000020599740 568636038 /nfs/dbraw/zinc/63/60/38/568636038.db2.gz DZGVPUVVYCGGML-ZWKOTPCHSA-N 0 3 420.506 1.900 50 0 HDAAHN C[C@H]1CN(CCC2CCN(C(=O)CNc3ccccc3C(N)=O)CC2)C[C@H](C)O1 ZINC000225707025 568666333 /nfs/dbraw/zinc/66/63/33/568666333.db2.gz SPTAYWSBOHWRCM-IRXDYDNUSA-N 0 3 402.539 1.935 50 0 HDAAHN C[C@H]1[C@H](NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CCCN1C ZINC000096010239 568683749 /nfs/dbraw/zinc/68/37/49/568683749.db2.gz NFXLZIZQVZTWTK-SWLSCSKDSA-N 0 3 418.357 1.716 50 0 HDAAHN CCN1CCN(CCNC(=O)c2cccn2-c2nnc(N3CCCCC3)s2)CC1 ZINC000021535474 568711850 /nfs/dbraw/zinc/71/18/50/568711850.db2.gz XLXNLQKRYXYYCF-UHFFFAOYSA-N 0 3 417.583 1.686 50 0 HDAAHN Cc1cccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)NCCN3CCCC3)c2=O)c1 ZINC000096318108 568727169 /nfs/dbraw/zinc/72/71/69/568727169.db2.gz SSBNCIZSVLMDBG-UHFFFAOYSA-N 0 3 420.513 1.981 50 0 HDAAHN C[C@H](NC[C@@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000003211788 568862160 /nfs/dbraw/zinc/86/21/60/568862160.db2.gz DGUBEVHBQSTJMV-PKOBYXMFSA-N 0 3 420.531 1.798 50 0 HDAAHN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)C3CCN(C)CC3)c2)C[C@H](C)O1 ZINC000003216008 568862617 /nfs/dbraw/zinc/86/26/17/568862617.db2.gz MMHFWSFOBJBQJU-HOTGVXAUSA-N 0 3 409.552 1.651 50 0 HDAAHN O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCn2cncn2)CC1 ZINC000299792626 568876058 /nfs/dbraw/zinc/87/60/58/568876058.db2.gz FGSHAAOHOSCIAX-LJQANCHMSA-N 0 3 403.458 1.188 50 0 HDAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1cccc2c1OCCO2 ZINC000670438471 568883817 /nfs/dbraw/zinc/88/38/17/568883817.db2.gz SZVUBWTYMIPFGW-NZAVSEOKSA-N 0 3 405.498 1.755 50 0 HDAAHN CCN(CCn1cccn1)Cc1ccc(OC[C@H](O)CN2CCOCC2)c(OC)c1 ZINC000012717710 568918086 /nfs/dbraw/zinc/91/80/86/568918086.db2.gz ZZOXACJBEXDMGY-HXUWFJFHSA-N 0 3 418.538 1.486 50 0 HDAAHN O=C(CN1CCCCCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000008327841 568992395 /nfs/dbraw/zinc/99/23/95/568992395.db2.gz OYXQFYAVCVOGOH-UHFFFAOYSA-N 0 3 405.564 1.884 50 0 HDAAHN O=C1CCCC(=O)N1CCS(=O)(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000038584871 569002107 /nfs/dbraw/zinc/00/21/07/569002107.db2.gz RONKHBAKDIVPCY-UHFFFAOYSA-N 0 3 413.565 1.419 50 0 HDAAHN CCN1CCC[C@@H]1CN(CC(=O)N1CCNCC1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000015864134 569016323 /nfs/dbraw/zinc/01/63/23/569016323.db2.gz MXAVENLRLIPHRM-HXUWFJFHSA-N 0 3 415.538 1.003 50 0 HDAAHN CC(=O)[C@H]1CC(C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)=NN1c1ccccc1 ZINC000222088295 569039736 /nfs/dbraw/zinc/03/97/36/569039736.db2.gz NBHQTJUTXSMLBJ-HTAPYJJXSA-N 0 3 411.550 1.837 50 0 HDAAHN CC(=O)[C@H]1CC(C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)=NN1c1ccccc1 ZINC000241401119 569054754 /nfs/dbraw/zinc/05/47/54/569054754.db2.gz NBHQTJUTXSMLBJ-VGOFRKELSA-N 0 3 411.550 1.837 50 0 HDAAHN CCN1CCN(CCCNC(=O)[C@@H](C)n2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000064776042 569093693 /nfs/dbraw/zinc/09/36/93/569093693.db2.gz FCEQDLMRVFUESH-QGZVFWFLSA-N 0 3 424.549 1.593 50 0 HDAAHN CCCN1CCN(CCCNC(=O)Cn2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000064775919 569093754 /nfs/dbraw/zinc/09/37/54/569093754.db2.gz PLANRKWOLDCJFY-UHFFFAOYSA-N 0 3 424.549 1.422 50 0 HDAAHN CCn1c2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cnn2c(=O)c2c1CCNC2 ZINC000064966228 569137503 /nfs/dbraw/zinc/13/75/03/569137503.db2.gz JZEODKPZEFRYBX-UHFFFAOYSA-N 0 3 424.480 1.263 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@]2(CC)CCC(=O)NC2=O)cc1 ZINC000036352090 569147066 /nfs/dbraw/zinc/14/70/66/569147066.db2.gz CGHVAHMREGLLNB-VGSWGCGISA-N 0 3 414.506 1.310 50 0 HDAAHN COC(=O)c1ccc([C@@H](c2c(N)n(CC(C)C)c(=O)[nH]c2=O)N2CCCC2)cc1 ZINC000006880692 569167627 /nfs/dbraw/zinc/16/76/27/569167627.db2.gz PFCXWHDDZZRXJF-KRWDZBQOSA-N 0 3 400.479 1.747 50 0 HDAAHN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)NCCN(C)C)nc2C ZINC000006944769 569187252 /nfs/dbraw/zinc/18/72/52/569187252.db2.gz GBLLJTWXJITZKQ-UHFFFAOYSA-N 0 3 410.522 1.965 50 0 HDAAHN CN1CCN(CCCNC(=O)c2ccnc(N3CCN[C@@H](c4ccccc4)C3)c2)CC1 ZINC000065255992 569208269 /nfs/dbraw/zinc/20/82/69/569208269.db2.gz MMYPJOVZDIZOGZ-JOCHJYFZSA-N 0 3 422.577 1.600 50 0 HDAAHN COc1cccc(C(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c1OC ZINC000036708060 569222006 /nfs/dbraw/zinc/22/20/06/569222006.db2.gz HTCIIGZHJUSWGJ-UHFFFAOYSA-N 0 3 401.467 1.481 50 0 HDAAHN CSc1cccc(CN[C@H]2C[C@H]3C(=O)N[C@H](Cc4ccc(O)cc4)C(=O)N3C2)c1 ZINC000014531180 569260442 /nfs/dbraw/zinc/26/04/42/569260442.db2.gz JVUHPBUXSLRNMQ-DBVUQKKJSA-N 0 3 411.527 1.914 50 0 HDAAHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000497355534 569282010 /nfs/dbraw/zinc/28/20/10/569282010.db2.gz YEPOPTXBSHXYQE-SWLSCSKDSA-N 0 3 407.533 1.773 50 0 HDAAHN O=C(c1cc(S(=O)(=O)N2CC[C@H](OCCN3CCCCC3)C2)c[nH]1)N1CCCC1 ZINC000079105703 569427654 /nfs/dbraw/zinc/42/76/54/569427654.db2.gz ISJKOLXDPICSNM-KRWDZBQOSA-N 0 3 424.567 1.516 50 0 HDAAHN CC(C(=O)NC1CCCC1)S(=O)(=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000040121928 571178000 /nfs/dbraw/zinc/17/80/00/571178000.db2.gz KBEVAHRPPFYAOX-CYBMUJFWSA-N 0 3 418.537 1.426 50 0 HDAAHN CCOc1ccc(C(=O)N[C@H](C)C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 ZINC000008996834 571209220 /nfs/dbraw/zinc/20/92/20/571209220.db2.gz HDPYCQXCWNITQD-OAHLLOKOSA-N 0 3 411.506 1.590 50 0 HDAAHN Cn1c2nc3n(c2c(=O)n(CCN2CCCCC2)c1=O)CCN3c1ccc(F)cc1 ZINC000009059724 571217282 /nfs/dbraw/zinc/21/72/82/571217282.db2.gz WEKJRZGJQJEFCA-UHFFFAOYSA-N 0 3 412.469 1.673 50 0 HDAAHN Cc1nn(CC(=O)NCCN2CCCC[C@H]2C)c(=O)c2cc(-c3ccccc3)nn21 ZINC000009727638 571282528 /nfs/dbraw/zinc/28/25/28/571282528.db2.gz TZARAMUWKHDPGC-MRXNPFEDSA-N 0 3 408.506 1.857 50 0 HDAAHN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C(C)S(=O)(=O)C[C@H]1CCCO1 ZINC000032926816 520351779 /nfs/dbraw/zinc/35/17/79/520351779.db2.gz XBMISSOIRHMKPZ-QWHCGFSZSA-N 0 3 418.462 1.734 50 0 HDAAHN CC(C(=O)NCc1ccccc1)S(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000032929551 526085819 /nfs/dbraw/zinc/08/58/19/526085819.db2.gz WLQFKXBPTZJILR-OAHLLOKOSA-N 0 3 424.544 1.557 50 0 HDAAHN CCOc1cc(CNCCNC(=O)c2nonc2N)cc(Br)c1OC ZINC000008253597 557778106 /nfs/dbraw/zinc/77/81/06/557778106.db2.gz CLKCGBYZPQTXCA-UHFFFAOYSA-N 0 3 414.260 1.341 50 0 HDAAHN O=C(CN1CCN(Cc2ccccc2)CC1)NCC1(N2CCOCC2)CCCCC1 ZINC000022796880 557823329 /nfs/dbraw/zinc/82/33/29/557823329.db2.gz UVSYZCJNSROAJN-UHFFFAOYSA-N 0 3 414.594 1.956 50 0 HDAAHN O=C(Cn1nnnc1CN1CCCCCC1)N1CCC(N2CCSCC2)CC1 ZINC000011815499 558279300 /nfs/dbraw/zinc/27/93/00/558279300.db2.gz SINVZUARUGDDLA-UHFFFAOYSA-N 0 3 407.588 1.089 50 0 HDAAHN COc1cc(C)c(CN2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)cc1C ZINC000019837673 558293083 /nfs/dbraw/zinc/29/30/83/558293083.db2.gz UVDNRIVPKJUSNX-KRWDZBQOSA-N 0 3 413.522 1.615 50 0 HDAAHN COc1cc(CNCCn2nc(C)cc2C)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000020451249 558365702 /nfs/dbraw/zinc/36/57/02/558365702.db2.gz TUOYMOWYFNNKSD-FQEVSTJZSA-N 0 3 418.538 1.370 50 0 HDAAHN CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CNCCN1CCNC1=O ZINC000012301721 558371553 /nfs/dbraw/zinc/37/15/53/558371553.db2.gz QJWGMKPMYMAQIN-UHFFFAOYSA-N 0 3 406.490 1.721 50 0 HDAAHN CN(Cc1ccc2nonc2c1)Cc1cccc(OC[C@H](O)CN2CCOCC2)c1 ZINC000012578765 558431878 /nfs/dbraw/zinc/43/18/78/558431878.db2.gz QGDWUCLWYLAJDX-LJQANCHMSA-N 0 3 412.490 1.927 50 0 HDAAHN CC(=O)c1ccc(N2CCN(CN3C(=O)NC4(CCN(C)CC4)C3=O)CC2)c(F)c1 ZINC000023673511 558566800 /nfs/dbraw/zinc/56/68/00/558566800.db2.gz SNZNHVITDOSJII-UHFFFAOYSA-N 0 3 417.485 1.124 50 0 HDAAHN CCOc1cc2c(cc1OCC)CN(CN1C(=O)NC3(CCN(C)CC3)C1=O)CC2 ZINC000023674744 558567024 /nfs/dbraw/zinc/56/70/24/558567024.db2.gz SWPLYMPXVUEOIF-UHFFFAOYSA-N 0 3 416.522 1.816 50 0 HDAAHN CCN1CCN(CCCNC(=O)c2ccc(CN3c4ccnn4CCC3=O)cc2)CC1 ZINC000022937089 558675172 /nfs/dbraw/zinc/67/51/72/558675172.db2.gz GTPHDFZVOMYISI-UHFFFAOYSA-N 0 3 424.549 1.577 50 0 HDAAHN CC(C)CC(=O)C(=O)N1CCC(N2CCC(C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000014968795 558686539 /nfs/dbraw/zinc/68/65/39/558686539.db2.gz LEONRDVYPGZXRS-LJQANCHMSA-N 0 3 407.555 1.600 50 0 HDAAHN CN1CCN(CCCNC(=O)C2CCN(c3nc4cccnc4s3)CC2)CC1 ZINC000022937545 558725516 /nfs/dbraw/zinc/72/55/16/558725516.db2.gz YRSIGVWMDIAODK-UHFFFAOYSA-N 0 3 402.568 1.661 50 0 HDAAHN Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000033318405 558766337 /nfs/dbraw/zinc/76/63/37/558766337.db2.gz DDEISRCBLIAMNB-UHFFFAOYSA-N 0 3 403.508 1.133 50 0 HDAAHN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NCCN3CCCC3)C2)c1C ZINC000035482210 558792877 /nfs/dbraw/zinc/79/28/77/558792877.db2.gz VRLXTQWCDYYWHV-QGZVFWFLSA-N 0 3 418.538 1.872 50 0 HDAAHN COc1cc(CN2CCN(C3CCN(C(C)=O)CC3)C[C@H]2CCO)cc(OC)c1 ZINC000039445637 558821311 /nfs/dbraw/zinc/82/13/11/558821311.db2.gz ZJTRYIBEPRQIAN-HXUWFJFHSA-N 0 3 405.539 1.583 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 ZINC000018137255 558831950 /nfs/dbraw/zinc/83/19/50/558831950.db2.gz MGVUFWGLNJOQSF-KRWDZBQOSA-N 0 3 418.925 1.778 50 0 HDAAHN Cc1cccc(C(=O)N(CCN2CCCCC2)CCS(=O)(=O)N2CCNCC2)c1 ZINC000046141069 558839874 /nfs/dbraw/zinc/83/98/74/558839874.db2.gz KQFWDSXAUKMASN-UHFFFAOYSA-N 0 3 422.595 1.158 50 0 HDAAHN CN1CCCN(c2ccc(CNC(=O)c3ccc(N4CCOCC4)nc3)cn2)CC1 ZINC000058194903 558910761 /nfs/dbraw/zinc/91/07/61/558910761.db2.gz HVAGQFBSDPAOOP-UHFFFAOYSA-N 0 3 410.522 1.385 50 0 HDAAHN CCN1CCN(CCCNC(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 ZINC000033060259 558954597 /nfs/dbraw/zinc/95/45/97/558954597.db2.gz JQDCLQDPZBLKSI-UHFFFAOYSA-N 0 3 420.514 1.687 50 0 HDAAHN O=C(Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O)NCCN1CCCCC1 ZINC000021944246 558978497 /nfs/dbraw/zinc/97/84/97/558978497.db2.gz BSNCNWWKYIVKFK-UHFFFAOYSA-N 0 3 420.513 1.814 50 0 HDAAHN COc1ccc(-c2cn3cc(C(=O)NCCN4CCCC4)nc3c(=O)n2C)c(F)c1 ZINC000072454577 558982810 /nfs/dbraw/zinc/98/28/10/558982810.db2.gz BOPLANXBWDKDCM-UHFFFAOYSA-N 0 3 413.453 1.673 50 0 HDAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 ZINC000067602117 558987903 /nfs/dbraw/zinc/98/79/03/558987903.db2.gz UXFQSCXRZMWBAB-UHFFFAOYSA-N 0 3 403.433 1.862 50 0 HDAAHN C[NH+](C)CCC[N-]S(=O)(=O)c1ccc(-c2n[nH]cc2C(=O)N2CCCCC2)o1 ZINC000097111714 558995372 /nfs/dbraw/zinc/99/53/72/558995372.db2.gz FSTQSNFJMMDFBG-UHFFFAOYSA-N 0 3 409.512 1.526 50 0 HDAAHN CCc1ncc(C(=O)N2CCC3(CN(CCN(C)CCOC)C(=O)O3)CC2)cn1 ZINC000077355095 559002215 /nfs/dbraw/zinc/00/22/15/559002215.db2.gz UAMUOEAADDBQRF-UHFFFAOYSA-N 0 3 405.499 1.044 50 0 HDAAHN Cc1ccc(N2CCC3(CN(CCCN4CCN(C(C)C)CC4)C(=O)O3)CC2)nn1 ZINC000077471089 559006554 /nfs/dbraw/zinc/00/65/54/559006554.db2.gz AAGKWIHLPSJUSF-UHFFFAOYSA-N 0 3 416.570 1.992 50 0 HDAAHN O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2CCCCC[C@@H]2CO)[nH]c1=O ZINC000077541341 559008977 /nfs/dbraw/zinc/00/89/77/559008977.db2.gz PZCMPCSJKNUYGC-QGZVFWFLSA-N 0 3 413.474 1.771 50 0 HDAAHN CSCC[C@H](N)C(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 ZINC000091908149 559074540 /nfs/dbraw/zinc/07/45/40/559074540.db2.gz IYUHOPDRJDKSAU-SFHVURJKSA-N 0 3 404.580 1.936 50 0 HDAAHN O=C(C[C@H]1CNCCO1)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 ZINC000092045594 559075281 /nfs/dbraw/zinc/07/52/81/559075281.db2.gz NWKLYKXYYHFYFN-IBGZPJMESA-N 0 3 400.523 1.234 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 ZINC000095393635 559081077 /nfs/dbraw/zinc/08/10/77/559081077.db2.gz MTXMMRNMKNDOQH-QGZVFWFLSA-N 0 3 418.925 1.778 50 0 HDAAHN CCn1c(Cn2cncn2)nnc1C1CCN(C(=O)CN2CCCCCC2)CC1 ZINC000096152463 559098731 /nfs/dbraw/zinc/09/87/31/559098731.db2.gz UOSRQVRJTCFGRV-UHFFFAOYSA-N 0 3 400.531 1.520 50 0 HDAAHN O=C(CNC[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000003310807 560592012 /nfs/dbraw/zinc/59/20/12/560592012.db2.gz QTWCKXKUSOGVFC-LJQANCHMSA-N 0 3 417.531 1.441 50 0 HDAAHN CN1CCCN(c2ccc(CNC(=O)CCNC(=O)NC3CCCCC3)cn2)CC1 ZINC000048311868 568436976 /nfs/dbraw/zinc/43/69/76/568436976.db2.gz NTZNXESFQYAMJJ-UHFFFAOYSA-N 0 3 416.570 1.862 50 0 HDAAHN CCCCCn1c(=O)[nH]c2cc(C(=O)NCCN3CCN(CC)CC3)ccc2c1=O ZINC000020116988 568589429 /nfs/dbraw/zinc/58/94/29/568589429.db2.gz CAJVSJBGMCFKGV-UHFFFAOYSA-N 0 3 415.538 1.247 50 0 HDAAHN CCN1CCN(CCCNC(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)CC1 ZINC000021052315 568661085 /nfs/dbraw/zinc/66/10/85/568661085.db2.gz ZLJSUDSJNUAIHB-QGZVFWFLSA-N 0 3 416.613 1.195 50 0 HDAAHN Cc1cc(C)n2nc(C(=O)NCCCN3CCN(C)C[C@@H]3c3ccccc3)nc2n1 ZINC000030000266 568855323 /nfs/dbraw/zinc/85/53/23/568855323.db2.gz YFXLRJKPBPDTGJ-LJQANCHMSA-N 0 3 407.522 1.850 50 0 HDAAHN Cn1ccnc1CCN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299756019 568872697 /nfs/dbraw/zinc/87/26/97/568872697.db2.gz AMGMXHICCYIJJT-FQEVSTJZSA-N 0 3 416.497 1.873 50 0 HDAAHN O=C(NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1ccc(F)c(F)c1 ZINC000299778762 568874743 /nfs/dbraw/zinc/87/47/43/568874743.db2.gz QOVQKJABTNPBRT-KRWDZBQOSA-N 0 3 407.461 1.939 50 0 HDAAHN O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccccc1[O-] ZINC000299778818 568874792 /nfs/dbraw/zinc/87/47/92/568874792.db2.gz OOIKQUHRJYUJHT-SFHVURJKSA-N 0 3 401.507 1.471 50 0 HDAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccccc1-n1cnnc1 ZINC000670441529 568895222 /nfs/dbraw/zinc/89/52/22/568895222.db2.gz XKMSRQRJIPYTHB-NBTXJNEHSA-N 0 3 414.513 1.565 50 0 HDAAHN COc1ccc(CN2CCNC(=O)C2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012714288 568917712 /nfs/dbraw/zinc/91/77/12/568917712.db2.gz SJWMYCXURMHJRA-FQEVSTJZSA-N 0 3 413.518 1.499 50 0 HDAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1cc(-c2ccccn2)n[nH]1 ZINC000670465078 568968530 /nfs/dbraw/zinc/96/85/30/568968530.db2.gz YOJMRBSYEKLOBQ-XAHYOPIXSA-N 0 3 414.513 1.769 50 0 HDAAHN CCN1CCN(CCNC(=O)CCCn2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000035372392 569033904 /nfs/dbraw/zinc/03/39/04/569033904.db2.gz GVQMUPRSUHBKDJ-UHFFFAOYSA-N 0 3 424.549 1.422 50 0 HDAAHN Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CCN2CCCC2)cc1C ZINC000035401354 569035504 /nfs/dbraw/zinc/03/55/04/569035504.db2.gz HMAZOCONEAORAC-UHFFFAOYSA-N 0 3 422.595 1.212 50 0 HDAAHN CCOC(=O)c1cccc(NC(=O)c2cnn3c2n(CC)c2c(c3=O)CNCC2)c1 ZINC000064966220 569137428 /nfs/dbraw/zinc/13/74/28/569137428.db2.gz KKYNAGOXIKZHOG-UHFFFAOYSA-N 0 3 409.446 1.591 50 0 HDAAHN Cn1c(=O)c(C(=O)N2CCN(C3CCCCC3)CC2)nn(-c2ccc(F)cc2)c1=O ZINC000064966981 569137563 /nfs/dbraw/zinc/13/75/63/569137563.db2.gz MHMPCSNVMNVMRI-UHFFFAOYSA-N 0 3 415.469 1.161 50 0 HDAAHN Cn1ncc(N2CCC[C@H](C(=O)NC3CCN(Cc4ccccc4)CC3)C2)cc1=O ZINC000065313677 569222901 /nfs/dbraw/zinc/22/29/01/569222901.db2.gz FCPZNHFOQXKPOC-IBGZPJMESA-N 0 3 409.534 1.778 50 0 HDAAHN NS(=O)(=O)c1cccc(NC(=O)CCN2CCN(CCc3ccccc3)CC2)c1 ZINC000028893342 569414188 /nfs/dbraw/zinc/41/41/88/569414188.db2.gz FUOYEOGJJXLKHN-UHFFFAOYSA-N 0 3 416.547 1.523 50 0 HDAAHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccn(-c3ccccc3Cl)n2)CC1=O ZINC000328591897 569415199 /nfs/dbraw/zinc/41/51/99/569415199.db2.gz QACGLPKMXMAEJR-HNNXBMFYSA-N 0 3 419.913 1.435 50 0 HDAAHN CC(C)[C@H](CNS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1)N1CCCC1 ZINC000820696225 1075647985 /nfs/dbraw/zinc/64/79/85/1075647985.db2.gz CMJROKIYEOOWLU-KRWDZBQOSA-N 0 3 418.585 1.304 50 0 HDAAHN Cc1cccc(S(=O)(=O)N(CCCN2CCCC2)CCC(=O)N2CCNCC2)c1 ZINC000045945224 524793139 /nfs/dbraw/zinc/79/31/39/524793139.db2.gz BZHYUPGUIBOZFH-UHFFFAOYSA-N 0 3 422.595 1.294 50 0 HDAAHN Cc1ccccc1S(=O)(=O)N(CCN1CCCC[C@@H]1C)CC(=O)N1CCNCC1 ZINC000045974768 525328691 /nfs/dbraw/zinc/32/86/91/525328691.db2.gz IQJPNGHQNPHHIF-IBGZPJMESA-N 0 3 422.595 1.292 50 0 HDAAHN Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CCN2CCCC2)c(C)c1 ZINC000045944077 525510765 /nfs/dbraw/zinc/51/07/65/525510765.db2.gz YDUBHQHROSQZOM-UHFFFAOYSA-N 0 3 422.595 1.212 50 0 HDAAHN NS(=O)(=O)c1ccc(CNC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000032862484 527312454 /nfs/dbraw/zinc/31/24/54/527312454.db2.gz QJHSSCGHEJQBMU-UHFFFAOYSA-N 0 3 402.520 1.798 50 0 HDAAHN CCOc1ccc(N2C(=O)C[C@H](NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000000852358 557101345 /nfs/dbraw/zinc/10/13/45/557101345.db2.gz BOVSQYFIDHBSEV-SFHVURJKSA-N 0 3 417.487 1.197 50 0 HDAAHN CC(C)CNC(=O)c1coc(CN2CCN(C[C@H](O)CN3CCCCC3)CC2)n1 ZINC000034677038 557364112 /nfs/dbraw/zinc/36/41/12/557364112.db2.gz XLZIKGVDYIPUHB-GOSISDBHSA-N 0 3 407.559 1.025 50 0 HDAAHN COc1cccc([C@@H](CNC(=O)Cn2c3ccccc3c(=O)[nH]c2=O)N2CCCC2)c1 ZINC000022619146 558502939 /nfs/dbraw/zinc/50/29/39/558502939.db2.gz QXKZEFRDKLRGQX-HXUWFJFHSA-N 0 3 422.485 1.652 50 0 HDAAHN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CN1CCN2CCC[C@@H]2C1 ZINC000023095835 558534098 /nfs/dbraw/zinc/53/40/98/558534098.db2.gz YABHZRMACQNXDY-CYBMUJFWSA-N 0 3 408.524 1.263 50 0 HDAAHN O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H](NCc3ccc(Cl)s3)C[C@@H]12 ZINC000014747169 558669496 /nfs/dbraw/zinc/66/94/96/558669496.db2.gz ZGYPTCOGWJLETI-RCBQFDQVSA-N 0 3 405.907 1.907 50 0 HDAAHN COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN([C@@H](C)COC)CC2 ZINC000014747340 558669525 /nfs/dbraw/zinc/66/95/25/558669525.db2.gz NVOHJUZLNGHJKA-KRWDZBQOSA-N 0 3 404.511 1.752 50 0 HDAAHN CCN1CCN(CCNC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)CC1 ZINC000022937149 558678877 /nfs/dbraw/zinc/67/88/77/558678877.db2.gz JEFOPTJIBZAETR-KRWDZBQOSA-N 0 3 417.583 1.299 50 0 HDAAHN CCOC(=O)N1CCC(N2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)CC1 ZINC000014983710 558692490 /nfs/dbraw/zinc/69/24/90/558692490.db2.gz AHLLFZFOVQSTLM-GOSISDBHSA-N 0 3 420.558 1.980 50 0 HDAAHN Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 ZINC000033318417 558766369 /nfs/dbraw/zinc/76/63/69/558766369.db2.gz XBPBVWYPIAIZSQ-UHFFFAOYSA-N 0 3 421.498 1.272 50 0 HDAAHN CCN1CCN(CCCNC(=O)[C@H]2CCCN(C(=O)c3[nH]c(C)c(C)c3C)C2)CC1 ZINC000035482198 558792860 /nfs/dbraw/zinc/79/28/60/558792860.db2.gz OGBADUOMAVKDGN-FQEVSTJZSA-N 0 3 417.598 1.936 50 0 HDAAHN Cc1ccc(NC(=O)c2nnc(COCC(=O)NCCN3CCCC3)s2)cc1 ZINC000032987482 558807381 /nfs/dbraw/zinc/80/73/81/558807381.db2.gz XOMPZFUHZDTZSJ-UHFFFAOYSA-N 0 3 403.508 1.827 50 0 HDAAHN COc1ccc(OC)c(S(=O)(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N)c1 ZINC000049581927 558850557 /nfs/dbraw/zinc/85/05/57/558850557.db2.gz XDKXOJBTCIHJIK-GXTWGEPZSA-N 0 3 400.497 1.672 50 0 HDAAHN COc1ccc(NC(=O)c2nnc(C(=O)NCCCN3CCN(C)CC3)s2)cc1 ZINC000033060158 558954394 /nfs/dbraw/zinc/95/43/94/558954394.db2.gz WWUAKRHVOGEAJR-UHFFFAOYSA-N 0 3 418.523 1.166 50 0 HDAAHN C[C@@H]1CCCCN1CCNC(=O)CCc1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000033062705 558956239 /nfs/dbraw/zinc/95/62/39/558956239.db2.gz HYFASSUZEOEYEW-MRXNPFEDSA-N 0 3 420.535 1.967 50 0 HDAAHN CN1CCC(Oc2ccc(CNC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000065363452 558974613 /nfs/dbraw/zinc/97/46/13/558974613.db2.gz MWSHHNGWDDFOKB-UHFFFAOYSA-N 0 3 409.552 1.447 50 0 HDAAHN COc1cc(OC)cc(C(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c1 ZINC000072434192 558979937 /nfs/dbraw/zinc/97/99/37/558979937.db2.gz HXUJSWAAKKJFFC-UHFFFAOYSA-N 0 3 401.467 1.481 50 0 HDAAHN CCCCN1CCN([C@@H](C(=O)N(C)C2CCN(C)CC2)c2ccccc2)C(=O)C1=O ZINC000077376245 559002617 /nfs/dbraw/zinc/00/26/17/559002617.db2.gz LKVWTTXVMDYOIG-HXUWFJFHSA-N 0 3 414.550 1.751 50 0 HDAAHN CCS(=O)(=O)N1CCC(N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082137301 559040327 /nfs/dbraw/zinc/04/03/27/559040327.db2.gz YJKGAAGPGXZEDH-LJQANCHMSA-N 0 3 407.580 1.871 50 0 HDAAHN O=C(NCCN1CCCCC1)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000033315140 559055430 /nfs/dbraw/zinc/05/54/30/559055430.db2.gz OTBYAMSBUWKVMD-OAHLLOKOSA-N 0 3 406.556 1.483 50 0 HDAAHN Cc1cc(CN2CCN(C)CC2)c(C)c(C[N@H+]2C[C@@H]3CN(C)C[C@]3(C(=O)[O-])C2)c1 ZINC000096162654 559101014 /nfs/dbraw/zinc/10/10/14/559101014.db2.gz AHSYFNMQXZFBEI-GMAHTHKFSA-N 0 3 400.567 1.499 50 0 HDAAHN Cc1cc(CN2CCN(C)CC2)c(C)c(C[N@@H+]2C[C@@H]3CN(C)C[C@]3(C(=O)[O-])C2)c1 ZINC000096162654 559101016 /nfs/dbraw/zinc/10/10/16/559101016.db2.gz AHSYFNMQXZFBEI-GMAHTHKFSA-N 0 3 400.567 1.499 50 0 HDAAHN CN(C[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1)C1CCN(C)CC1 ZINC000050110102 559179145 /nfs/dbraw/zinc/17/91/45/559179145.db2.gz TXRNBNBHXZNNLE-IEBWSBKVSA-N 0 3 408.568 1.240 50 0 HDAAHN CCOc1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1 ZINC000017307334 560707580 /nfs/dbraw/zinc/70/75/80/560707580.db2.gz UDJNPOXBXWQYBG-UHFFFAOYSA-N 0 3 424.549 1.898 50 0 HDAAHN CN(C)CCNC(=O)C[C@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21 ZINC000012233348 568454600 /nfs/dbraw/zinc/45/46/00/568454600.db2.gz YEROMHOTEVXPPM-AWEZNQCLSA-N 0 3 416.482 1.436 50 0 HDAAHN COc1ccc(CN2CCCn3nc([C@@H](O)CO)cc3C2)cc1CN1CCCC1 ZINC000221420241 568509913 /nfs/dbraw/zinc/50/99/13/568509913.db2.gz XGQKREBKOLWPGV-NRFANRHFSA-N 0 3 400.523 1.919 50 0 HDAAHN CCCCCn1c(=O)[nH]c2cc(C(=O)NCCCN3CCN(C)CC3)ccc2c1=O ZINC000020116984 568589532 /nfs/dbraw/zinc/58/95/32/568589532.db2.gz QMVNCPXAAWLWQC-UHFFFAOYSA-N 0 3 415.538 1.247 50 0 HDAAHN CCN1CCN(CCCNC(=O)CCCN2C(=O)COc3ccc(C)cc32)CC1 ZINC000020413246 568605728 /nfs/dbraw/zinc/60/57/28/568605728.db2.gz DVYIELPSSVJAMV-UHFFFAOYSA-N 0 3 402.539 1.644 50 0 HDAAHN CC(=O)N1CCN(Cc2cc(N3CCN(c4nc(C)cs4)CC3)ccn2)CC1 ZINC000095455270 568616785 /nfs/dbraw/zinc/61/67/85/568616785.db2.gz BQJHUXIVDYWMEE-UHFFFAOYSA-N 0 3 400.552 1.837 50 0 HDAAHN CCCN1CCN(CCCNC(=O)CN2N=C(c3ccc(C)cc3)CCC2=O)CC1 ZINC000020723599 568640551 /nfs/dbraw/zinc/64/05/51/568640551.db2.gz RHUQIDWCLFAFCY-UHFFFAOYSA-N 0 3 413.566 1.855 50 0 HDAAHN CCN1CCN(CCNC(=O)Cn2nc(-n3cccc3)c3c2nc(C)cc3C)CC1 ZINC000020992696 568655992 /nfs/dbraw/zinc/65/59/92/568655992.db2.gz CILFCBQUYVHRKN-UHFFFAOYSA-N 0 3 409.538 1.593 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000096231406 568707341 /nfs/dbraw/zinc/70/73/41/568707341.db2.gz FDYKSRFLVHUALH-HKUYNNGSSA-N 0 3 416.522 1.539 50 0 HDAAHN O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccc([O-])cc1 ZINC000299791541 568875888 /nfs/dbraw/zinc/87/58/88/568875888.db2.gz GOPAOQOGDLWTLZ-HXUWFJFHSA-N 0 3 401.507 1.471 50 0 HDAAHN O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCc2ncc[nH]2)CC1 ZINC000299791852 568876079 /nfs/dbraw/zinc/87/60/79/568876079.db2.gz GBHZADALCSPKJM-LJQANCHMSA-N 0 3 402.470 1.862 50 0 HDAAHN Cc1nc(C)c(C(=O)NC[C@@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)s1 ZINC000299795111 568876308 /nfs/dbraw/zinc/87/63/08/568876308.db2.gz KTGONXWMJBDKOC-QGZVFWFLSA-N 0 3 406.552 1.734 50 0 HDAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1cccc2c1OCCO2 ZINC000670438472 568883798 /nfs/dbraw/zinc/88/37/98/568883798.db2.gz SZVUBWTYMIPFGW-XAHYOPIXSA-N 0 3 405.498 1.755 50 0 HDAAHN Cc1cc(NC(=O)CN2CCC[C@@H]2CN2CCCCC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000084102008 568937680 /nfs/dbraw/zinc/93/76/80/568937680.db2.gz MADSUZUXPMRULE-QZTJIDSGSA-N 0 3 423.583 1.440 50 0 HDAAHN CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](CN3CCCCC3)[C@H]1[C@@H]2O ZINC000004083175 568939364 /nfs/dbraw/zinc/93/93/64/568939364.db2.gz VHWHLUAIVKKCCK-ZYKGGLLFSA-N 0 3 409.523 1.350 50 0 biogenic HDAAHN Cn1nc2c(c1C(=O)N[C@@H]1C3CN4CC1(c1ccccc1)CN(C3)CC4)CCCC2 ZINC000670465160 568968811 /nfs/dbraw/zinc/96/88/11/568968811.db2.gz YNGGXARKFGJKBE-XAHYOPIXSA-N 0 3 405.546 1.596 50 0 HDAAHN Cn1c(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCCC1 ZINC000085875187 569009458 /nfs/dbraw/zinc/00/94/58/569009458.db2.gz DFVUKPFFMHXSSI-SJORKVTESA-N 0 3 410.518 1.468 50 0 biogenic HDAAHN CCN1CCC[C@@H]1CNC(=O)c1cc(=O)nc2sc(N3CCC(C)CC3)nn21 ZINC000015861441 569015584 /nfs/dbraw/zinc/01/55/84/569015584.db2.gz GRYNMDQSHWEDNQ-CQSZACIVSA-N 0 3 404.540 1.601 50 0 HDAAHN Cc1ccc(-n2nc(C(=O)NCCN(C)C)c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000036086506 569087748 /nfs/dbraw/zinc/08/77/48/569087748.db2.gz SHAQILSNMMBERI-UHFFFAOYSA-N 0 3 407.474 1.042 50 0 HDAAHN Cc1ccc(-n2nc(C(=O)NCCN(C)C)c(=O)n(Cc3ccccc3)c2=O)cc1C ZINC000036086254 569087835 /nfs/dbraw/zinc/08/78/35/569087835.db2.gz NDSVTIUOHHJWSC-UHFFFAOYSA-N 0 3 421.501 1.351 50 0 HDAAHN CC[C@@H](C(=O)NCCCN1CCN(C)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787494 569094273 /nfs/dbraw/zinc/09/42/73/569094273.db2.gz SZVCVXXCSUQHSQ-IBGZPJMESA-N 0 3 424.549 1.593 50 0 HDAAHN Cn1c2sc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2c(=O)n(C)c1=O ZINC000064950377 569129370 /nfs/dbraw/zinc/12/93/70/569129370.db2.gz CSECWEJTCTYOOX-UHFFFAOYSA-N 0 3 412.515 1.693 50 0 HDAAHN CN(C)CCNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000006901488 569177662 /nfs/dbraw/zinc/17/76/62/569177662.db2.gz YZJYGTOHMSYPGX-UHFFFAOYSA-N 0 3 406.552 1.884 50 0 HDAAHN C[C@@H]1CCCCN1CCNC(=O)c1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1 ZINC000065114007 569180898 /nfs/dbraw/zinc/18/08/98/569180898.db2.gz OLJHWXFWVCGWSQ-CQSZACIVSA-N 0 3 421.523 1.591 50 0 HDAAHN CN1CCN(CCCNC(=O)c2cccc(N3CCN[C@H](c4ccccc4)C3)n2)CC1 ZINC000065256325 569208365 /nfs/dbraw/zinc/20/83/65/569208365.db2.gz FMKDLYIBJBHECE-QFIPXVFZSA-N 0 3 422.577 1.600 50 0 HDAAHN CCNc1cc(N2CCC(CCC(=O)NCCN3CCN(C)CC3)CC2)ncn1 ZINC000065274264 569215110 /nfs/dbraw/zinc/21/51/10/569215110.db2.gz RRNXMWDLQDUDMQ-UHFFFAOYSA-N 0 3 403.575 1.269 50 0 HDAAHN Cc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2CC(=O)NCCN1CCCCCC1 ZINC000065306821 569220819 /nfs/dbraw/zinc/22/08/19/569220819.db2.gz NTRXONQSUZUVEB-HXUWFJFHSA-N 0 3 412.534 1.938 50 0 HDAAHN CC(=O)N1CCN([C@@H]2CCOC3(CCN(C(=O)COc4ccccc4)CC3)C2)CC1 ZINC000581820180 569321133 /nfs/dbraw/zinc/32/11/33/569321133.db2.gz WPXSWTOAZTZERF-HXUWFJFHSA-N 0 3 415.534 1.770 50 0 HDAAHN CCOC(=O)C1C(CN2CCN(C)CC2)=NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000067287687 571065768 /nfs/dbraw/zinc/06/57/68/571065768.db2.gz CNGOSRARIPZKNX-LJQANCHMSA-N 0 3 402.495 1.504 50 0 HDAAHN Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670473468 571101972 /nfs/dbraw/zinc/10/19/72/571101972.db2.gz ZVZVLQUUBYODFJ-PAHOBDAQSA-N 0 3 407.562 1.653 50 0 HDAAHN O=C(CNC(=O)c1ccc(Br)o1)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000009060184 571217185 /nfs/dbraw/zinc/21/71/85/571217185.db2.gz QPNFUBHHVNWWIC-UHFFFAOYSA-N 0 3 422.283 1.159 50 0 HDAAHN CCc1ccc(-c2cc3c(=O)n(CC(=O)NCCN4CCCC4)nc(C)n3n2)cc1 ZINC000009287470 571245246 /nfs/dbraw/zinc/24/52/46/571245246.db2.gz YWUOCWCIJKZJRW-UHFFFAOYSA-N 0 3 408.506 1.641 50 0 HDAAHN C[N@@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(C(C)(C)C)C3=O)[C@H]2C1 ZINC000009111488 132335963 /nfs/dbraw/zinc/33/59/63/132335963.db2.gz GAPJEHCZNLQGOM-QRWLVFNGSA-N 0 3 404.898 1.880 50 0 HDAAHN C[N@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(C(C)(C)C)C3=O)[C@H]2C1 ZINC000009111488 132335964 /nfs/dbraw/zinc/33/59/64/132335964.db2.gz GAPJEHCZNLQGOM-QRWLVFNGSA-N 0 3 404.898 1.880 50 0 HDAAHN CN1CCN(CCCNC(=O)c2csc(NC(=O)c3ccccc3F)n2)CC1 ZINC000040356013 523899857 /nfs/dbraw/zinc/89/98/57/523899857.db2.gz NPHCEWCEYRBAHB-UHFFFAOYSA-N 0 3 405.499 1.902 50 0 HDAAHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1ccccc1 ZINC000009303002 535502607 /nfs/dbraw/zinc/50/26/07/535502607.db2.gz SSORFDQKYNLYPR-IRXDYDNUSA-N 0 3 408.462 1.005 50 0 HDAAHN CC[NH+](CC)CCN1c2ccccc2[C@]2(SC([N-]C(C)=O)=NN2C(C)=O)C1=O ZINC000004721745 557586502 /nfs/dbraw/zinc/58/65/02/557586502.db2.gz UIFCWBVUFXVVAH-IBGZPJMESA-N 0 3 403.508 1.530 50 0 HDAAHN O=C([C@H]1CCC(=O)N(CCCN2CCCC2=O)C1)N1CCN(CC2CCCC2)CC1 ZINC000019770637 558279367 /nfs/dbraw/zinc/27/93/67/558279367.db2.gz FDLZATUNHVNVQB-FQEVSTJZSA-N 0 3 418.582 1.572 50 0 HDAAHN CCOC(=O)c1nn(CCN(C)C)c2c1CN(Cc1ccc(C(=O)OC)cc1)CC2 ZINC000020212498 558347793 /nfs/dbraw/zinc/34/77/93/558347793.db2.gz OLJIQRKAYOQSCU-UHFFFAOYSA-N 0 3 414.506 1.966 50 0 HDAAHN CN(CCN1CCOCC1)Cc1ccccc1OC[C@H](O)CN1CCSCC1 ZINC000020406388 558360209 /nfs/dbraw/zinc/36/02/09/558360209.db2.gz VWOLCJHMZQKSQC-HXUWFJFHSA-N 0 3 409.596 1.239 50 0 HDAAHN COc1ccc(CN(C)Cc2cccnc2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000023361319 558552508 /nfs/dbraw/zinc/55/25/08/558552508.db2.gz IHTOKCPFJKZWHJ-NRFANRHFSA-N 0 3 414.550 1.709 50 0 HDAAHN CN1CCN([C@@H]2CCN(Cc3cnc(-c4ccc(Cl)cc4)nc3)C[C@H]2O)CC1 ZINC000023374702 558554462 /nfs/dbraw/zinc/55/44/62/558554462.db2.gz XAFWSGFRKJGWCP-WOJBJXKFSA-N 0 3 401.942 1.980 50 0 HDAAHN COc1cc(CN2CCN(CC3CC3)CC2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000023375490 558554946 /nfs/dbraw/zinc/55/49/46/558554946.db2.gz JOVGEHZTQFGLRZ-OAQYLSRUSA-N 0 3 419.566 1.295 50 0 HDAAHN COc1cccc(CNCCOc2ccccc2)c1OC[C@H](O)CN1CCOCC1 ZINC000014952622 558681448 /nfs/dbraw/zinc/68/14/48/558681448.db2.gz CHSJWGKHEWFOMS-HXUWFJFHSA-N 0 3 416.518 1.936 50 0 HDAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000015671360 558748590 /nfs/dbraw/zinc/74/85/90/558748590.db2.gz IIXGZVCAECIGNY-UHFFFAOYSA-N 0 3 416.551 1.048 50 0 HDAAHN COc1cccc(CN2CCC(CCO)CC2)c1OC[C@@H](O)CN1CCOCC1 ZINC000039379716 558820695 /nfs/dbraw/zinc/82/06/95/558820695.db2.gz SGUPQHRCOCGMJX-FQEVSTJZSA-N 0 3 408.539 1.362 50 0 HDAAHN CCN1CCN(CCNC(=O)c2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000033060431 558954796 /nfs/dbraw/zinc/95/47/96/558954796.db2.gz NGTNDETXLDJNBV-UHFFFAOYSA-N 0 3 402.524 1.466 50 0 HDAAHN O=C(Cn1cnc2c(nc3n2CCCCC3)c1=O)N1CCN(C2CCCCC2)CC1 ZINC000021871462 558959906 /nfs/dbraw/zinc/95/99/06/558959906.db2.gz NZYYOQHJWVNPNZ-UHFFFAOYSA-N 0 3 412.538 1.796 50 0 HDAAHN CCNc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc(C)n1 ZINC000065364231 558975371 /nfs/dbraw/zinc/97/53/71/558975371.db2.gz UTCGDZQRWFYOKX-UHFFFAOYSA-N 0 3 419.507 1.499 50 0 HDAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)COc3ccccc3)CC2)n1 ZINC000072441806 558981891 /nfs/dbraw/zinc/98/18/91/558981891.db2.gz BLHDGCXYTCGNFN-UHFFFAOYSA-N 0 3 410.522 1.264 50 0 HDAAHN O=C1N(CCc2ccccc2)CCC[C@]1(O)CN1CCCN(c2ncccn2)CC1 ZINC000067804806 558993214 /nfs/dbraw/zinc/99/32/14/558993214.db2.gz GWPTUYJGIZHFKC-QHCPKHFHSA-N 0 3 409.534 1.585 50 0 HDAAHN CCN1CCN(CCN2CC3(CCN(C(=O)c4cc(C)c[nH]4)CC3)OC2=O)CC1 ZINC000077426589 559004892 /nfs/dbraw/zinc/00/48/92/559004892.db2.gz OIHNTHNEMYOMDW-UHFFFAOYSA-N 0 3 403.527 1.388 50 0 HDAAHN C[C@H](N)C(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccccc3)ccc2C1 ZINC000077541129 559008947 /nfs/dbraw/zinc/00/89/47/559008947.db2.gz LFXYGACWHKBYRN-HNNXBMFYSA-N 0 3 403.504 1.276 50 0 HDAAHN O=C(NCc1ccccn1)[C@@H]1CCCN(C2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000082086704 559036819 /nfs/dbraw/zinc/03/68/19/559036819.db2.gz LCINHSVUOVRAPN-MRXNPFEDSA-N 0 3 406.552 1.366 50 0 HDAAHN O=C(C[C@@H]1CNCCO1)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 ZINC000092045593 559075325 /nfs/dbraw/zinc/07/53/25/559075325.db2.gz NWKLYKXYYHFYFN-LJQANCHMSA-N 0 3 400.523 1.234 50 0 HDAAHN COc1ccc(OC[C@@H](O)CN(CCO)C[C@@H](O)Cn2ccc3ccccc32)cc1 ZINC000012080506 560889061 /nfs/dbraw/zinc/88/90/61/560889061.db2.gz RDLCNKMHHWWUDK-UXHICEINSA-N 0 3 414.502 1.745 50 0 HDAAHN Cn1nnc(-c2ccc(NC(=O)C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)n1 ZINC000049544775 568451279 /nfs/dbraw/zinc/45/12/79/568451279.db2.gz ZRKGHNYMMKGHPS-UHFFFAOYSA-N 0 3 419.489 1.596 50 0 HDAAHN CCn1cc(C(=O)NCCCN2CCN(C)CC2)c2cc(OC)c(OC)cc2c1=O ZINC000020116471 568589523 /nfs/dbraw/zinc/58/95/23/568589523.db2.gz JSRHMHAGUAQTBC-UHFFFAOYSA-N 0 3 416.522 1.406 50 0 HDAAHN Cn1c(=O)c2c(n(C)c1=O)NCN(CC1CCN(Cc3ccc(Cl)cc3)CC1)C2 ZINC000020320235 568598757 /nfs/dbraw/zinc/59/87/57/568598757.db2.gz HUMYXGQACMSOHO-UHFFFAOYSA-N 0 3 417.941 1.835 50 0 HDAAHN O=C(CN1CCn2nc(-c3ccc(Cl)cc3)cc2C1=O)NCCN1CCCC1 ZINC000021021538 568658401 /nfs/dbraw/zinc/65/84/01/568658401.db2.gz DRCMRLJDYMAZGE-UHFFFAOYSA-N 0 3 401.898 1.871 50 0 HDAAHN CCOC(=O)C1=C(CNCCN2CCOCC2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000096299608 568722750 /nfs/dbraw/zinc/72/27/50/568722750.db2.gz SVNFNMQDMIJRCH-HXUWFJFHSA-N 0 3 416.522 1.396 50 0 HDAAHN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)C3CCN(C)CC3)c2)C[C@H](C)O1 ZINC000003216006 568846851 /nfs/dbraw/zinc/84/68/51/568846851.db2.gz MMHFWSFOBJBQJU-IYBDPMFKSA-N 0 3 409.552 1.651 50 0 HDAAHN Cc1ccccc1[C@@]1(CC(=O)N2CCN(C)[C@H](C)C2)CC(=O)N(CCN(C)C)C1=O ZINC000299758755 568873255 /nfs/dbraw/zinc/87/32/55/568873255.db2.gz OYBPZDYXTUJALO-WZONZLPQSA-N 0 3 414.550 1.106 50 0 HDAAHN CCN(CCn1cccn1)Cc1ccc(OC[C@@H](O)CN2CCOCC2)c(OC)c1 ZINC000012717708 568918094 /nfs/dbraw/zinc/91/80/94/568918094.db2.gz ZZOXACJBEXDMGY-FQEVSTJZSA-N 0 3 418.538 1.486 50 0 HDAAHN CN(C)C1(CNc2ccc(S(C)(=O)=O)cc2S(N)(=O)=O)CCCCCC1 ZINC000083847881 568919613 /nfs/dbraw/zinc/91/96/13/568919613.db2.gz FSPSSSYDADSMEJ-UHFFFAOYSA-N 0 3 403.570 1.804 50 0 HDAAHN O=C(Cn1c(=O)oc2ccccc21)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670462974 568953292 /nfs/dbraw/zinc/95/32/92/568953292.db2.gz UWQDVROMTFPFPT-NZAVSEOKSA-N 0 3 418.497 1.278 50 0 HDAAHN CCOc1ccc(C(=O)N(CCN2CCCC[C@H]2C)CC(=O)N2CCNCC2)cc1 ZINC000015864154 569016460 /nfs/dbraw/zinc/01/64/60/569016460.db2.gz PUYFPYYCHVWXDF-LJQANCHMSA-N 0 3 416.566 1.834 50 0 HDAAHN COc1ccc([C@H](CNC(=O)Cn2cnc3c(cnn3C)c2=O)N2CCCC2)cc1 ZINC000012935314 569026536 /nfs/dbraw/zinc/02/65/36/569026536.db2.gz MURKHYKYOVCDOK-SFHVURJKSA-N 0 3 410.478 1.092 50 0 HDAAHN CN1CCN(CCCNC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000035505254 569040873 /nfs/dbraw/zinc/04/08/73/569040873.db2.gz OBOXBMNDRCLRJA-MRXNPFEDSA-N 0 3 402.568 1.661 50 0 HDAAHN Cc1ccccc1CN1CCN(CCCNC(=O)c2nc(-c3ccncn3)no2)CC1 ZINC000064459840 569063075 /nfs/dbraw/zinc/06/30/75/569063075.db2.gz YDIRDGZDYFEMAW-UHFFFAOYSA-N 0 3 421.505 1.773 50 0 HDAAHN Cc1cccc(-n2nc(C(=O)NCCN(C)C)c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000036086812 569088199 /nfs/dbraw/zinc/08/81/99/569088199.db2.gz OLCQTCRHQFHIIC-UHFFFAOYSA-N 0 3 407.474 1.042 50 0 HDAAHN CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCN3CCCCCC3)C2)c1 ZINC000064958053 569134324 /nfs/dbraw/zinc/13/43/24/569134324.db2.gz NALVVANJWHGTDS-QGZVFWFLSA-N 0 3 411.572 1.296 50 0 HDAAHN CCC(=O)N1[C@@H](C(=O)NCc2ccc3c(c2)OCO3)CSC12CCN(C)CC2 ZINC000006943497 569186976 /nfs/dbraw/zinc/18/69/76/569186976.db2.gz FJPIDSTWEVCTCW-OAHLLOKOSA-N 0 3 405.520 1.807 50 0 HDAAHN COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NCc4cccc(OC)c4)CN3C2=O)cc1 ZINC000014732985 569271355 /nfs/dbraw/zinc/27/13/55/569271355.db2.gz OGIYBXQQTPHEPH-YYWHXJBOSA-N 0 3 409.486 1.504 50 0 HDAAHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000170645332 569292049 /nfs/dbraw/zinc/29/20/49/569292049.db2.gz BDEAKUSBFYUAKV-KRWDZBQOSA-N 0 3 404.536 1.657 50 0 HDAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)c4cnccn4)CC3)C2)CC1 ZINC000581820135 569320881 /nfs/dbraw/zinc/32/08/81/569320881.db2.gz UJBIRKXMEBLLCS-IBGZPJMESA-N 0 3 401.555 1.904 50 0 HDAAHN Cn1nccc1C(=O)N1CCC2(CC1)C[C@@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581819846 569320914 /nfs/dbraw/zinc/32/09/14/569320914.db2.gz OONZXVWEQSQHBY-IBGZPJMESA-N 0 3 424.549 1.791 50 0 HDAAHN CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000067287940 571065477 /nfs/dbraw/zinc/06/54/77/571065477.db2.gz UAUTYSPLDQPKFU-IBGZPJMESA-N 0 3 402.495 1.504 50 0 HDAAHN COc1ccc(CC(=O)NCCC(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 ZINC000008913908 571150334 /nfs/dbraw/zinc/15/03/34/571150334.db2.gz JAFDQKFYHZPFQN-UHFFFAOYSA-N 0 3 411.506 1.131 50 0 HDAAHN C[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008996982 571209117 /nfs/dbraw/zinc/20/91/17/571209117.db2.gz QTNJIPMMQJMMSU-CYBMUJFWSA-N 0 3 401.898 1.845 50 0 HDAAHN COc1ccc(-c2cc3c(=O)n(CC(=O)NCCN4CCCCCC4)ncn3n2)cc1 ZINC000009287267 571245241 /nfs/dbraw/zinc/24/52/41/571245241.db2.gz RDYJWRIIPXIOGJ-UHFFFAOYSA-N 0 3 424.505 1.559 50 0 HDAAHN CC1=NN(CCN(C)Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000010108931 571295227 /nfs/dbraw/zinc/29/52/27/571295227.db2.gz WVQWXAFHYGFDFL-OAHLLOKOSA-N 0 3 409.494 1.323 50 0 HDAAHN CCOC(=O)CN(C)Cc1ccc(OC)c(OC[C@@H](O)CN2CCCN(C)CC2)c1 ZINC000020541574 520745886 /nfs/dbraw/zinc/74/58/86/520745886.db2.gz FENLIYWRHUCVMO-IBGZPJMESA-N 0 3 423.554 1.067 50 0 HDAAHN CCc1ccc(S(=O)(=O)N(CCN2CCCCC2)CC(=O)N2CCNCC2)cc1 ZINC000045974784 524010913 /nfs/dbraw/zinc/01/09/13/524010913.db2.gz XBACBGSMAMNZLF-UHFFFAOYSA-N 0 3 422.595 1.157 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)CN2CCN(c3ccccc3)CC2)CC1 ZINC000030822983 526849346 /nfs/dbraw/zinc/84/93/46/526849346.db2.gz WAHXNRVEXLRGHC-UHFFFAOYSA-N 0 3 413.566 1.141 50 0 HDAAHN COc1ccc(OC)c(NC(=O)CN2CCC(C(N)=O)(N3CCCCC3)CC2)c1 ZINC000004741253 557590678 /nfs/dbraw/zinc/59/06/78/557590678.db2.gz FVSRSMUDOIZQAX-UHFFFAOYSA-N 0 3 404.511 1.448 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN(CC(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000004741343 557590885 /nfs/dbraw/zinc/59/08/85/557590885.db2.gz BXRVHWOARUKLJA-UHFFFAOYSA-N 0 3 411.550 1.632 50 0 HDAAHN COc1ccc(CN(C)Cc2cc(C)n[nH]2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000020774532 558411691 /nfs/dbraw/zinc/41/16/91/558411691.db2.gz ZCCPHYLCWJZONV-HXUWFJFHSA-N 0 3 417.554 1.346 50 0 HDAAHN COc1ccc(CN(C)Cc2cc(C)[nH]n2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000020774532 558411693 /nfs/dbraw/zinc/41/16/93/558411693.db2.gz ZCCPHYLCWJZONV-HXUWFJFHSA-N 0 3 417.554 1.346 50 0 HDAAHN COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)Cn2nc3ccccc3n2)CC1 ZINC000020906691 558421021 /nfs/dbraw/zinc/42/10/21/558421021.db2.gz DEAPZJCKONRAMI-LJQANCHMSA-N 0 3 415.538 1.797 50 0 HDAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@H]1CNC(=O)C1 ZINC000012583591 558433374 /nfs/dbraw/zinc/43/33/74/558433374.db2.gz KMLNZFGWCBNSDC-LJQANCHMSA-N 0 3 403.523 1.518 50 0 HDAAHN C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012993338 558497374 /nfs/dbraw/zinc/49/73/74/558497374.db2.gz IXFRTZILFJGACI-CQSZACIVSA-N 0 3 401.479 1.672 50 0 HDAAHN COc1cccc([C@H](CNC(=O)Cn2c3ccccc3c(=O)[nH]c2=O)N2CCCC2)c1 ZINC000022619148 558503014 /nfs/dbraw/zinc/50/30/14/558503014.db2.gz QXKZEFRDKLRGQX-FQEVSTJZSA-N 0 3 422.485 1.652 50 0 HDAAHN COc1ccc(CN(C)Cc2cccnc2)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000023361322 558552541 /nfs/dbraw/zinc/55/25/41/558552541.db2.gz IHTOKCPFJKZWHJ-OAQYLSRUSA-N 0 3 414.550 1.709 50 0 HDAAHN CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1ccc(O)cc1)CC2 ZINC000014535696 558657966 /nfs/dbraw/zinc/65/79/66/558657966.db2.gz HXEZMKIWVQAQHD-UHFFFAOYSA-N 0 3 402.495 1.522 50 0 HDAAHN COC[C@@H](C)N1CCC2(CC1)C(=O)N(CC(=O)OC)C(=O)N2CCc1ccccc1 ZINC000014732432 558665991 /nfs/dbraw/zinc/66/59/91/558665991.db2.gz SDLPANTWTDUFAH-QGZVFWFLSA-N 0 3 417.506 1.536 50 0 HDAAHN CN1CCN(C(=O)CC[C@H]2CN(Cc3ccccc3)CC[C@H]2N2CCOCC2)CC1 ZINC000014993928 558695624 /nfs/dbraw/zinc/69/56/24/558695624.db2.gz VRVCTLWREIRVOO-XZOQPEGZSA-N 0 3 414.594 1.764 50 0 HDAAHN O=C(COc1ccc(N2CCN(C3CCCCC3)CC2)nn1)N1CCSCC1 ZINC000015002661 558698320 /nfs/dbraw/zinc/69/83/20/558698320.db2.gz DWAUSXYQKJQUNB-UHFFFAOYSA-N 0 3 405.568 1.886 50 0 HDAAHN CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000028851988 558706127 /nfs/dbraw/zinc/70/61/27/558706127.db2.gz BXQPMRFRLCRNFV-OAHLLOKOSA-N 0 3 411.524 1.541 50 0 HDAAHN C[C@@H]1C[C@@H](C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1 ZINC000015377589 558736550 /nfs/dbraw/zinc/73/65/50/558736550.db2.gz RHGAIMFZYQHLAW-HUUCEWRRSA-N 0 3 415.506 1.776 50 0 HDAAHN Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)n1 ZINC000033318435 558766283 /nfs/dbraw/zinc/76/62/83/558766283.db2.gz YNUWXVXAJAOEKG-UHFFFAOYSA-N 0 3 421.498 1.272 50 0 HDAAHN COc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CCN2CCCC[C@H]2C)cc1 ZINC000035422048 558791694 /nfs/dbraw/zinc/79/16/94/558791694.db2.gz AIGSOMFPTKTKBQ-LJQANCHMSA-N 0 3 416.566 1.834 50 0 HDAAHN COc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CCN2CCCCC2)cc1 ZINC000035422065 558791759 /nfs/dbraw/zinc/79/17/59/558791759.db2.gz TXPUIIDSJAISLT-UHFFFAOYSA-N 0 3 402.539 1.445 50 0 HDAAHN O=C(COCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCCN1CCCC1 ZINC000032987621 558807472 /nfs/dbraw/zinc/80/74/72/558807472.db2.gz MQZCCPJGEGALFC-UHFFFAOYSA-N 0 3 407.471 1.658 50 0 HDAAHN C[N@@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 ZINC000016976293 558810926 /nfs/dbraw/zinc/81/09/26/558810926.db2.gz GAPJEHCZNLQGOM-YWZLYKJASA-N 0 3 404.898 1.880 50 0 HDAAHN C[N@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 ZINC000016976293 558810928 /nfs/dbraw/zinc/81/09/28/558810928.db2.gz GAPJEHCZNLQGOM-YWZLYKJASA-N 0 3 404.898 1.880 50 0 HDAAHN COc1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)cc1 ZINC000018136778 558831790 /nfs/dbraw/zinc/83/17/90/558831790.db2.gz KQHOZNLYLAZSEB-GOSISDBHSA-N 0 3 414.506 1.133 50 0 HDAAHN Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 ZINC000049025930 558847684 /nfs/dbraw/zinc/84/76/84/558847684.db2.gz FSKABJVTRRCMBF-UHFFFAOYSA-N 0 3 417.535 1.274 50 0 HDAAHN Cc1ccc(NC(=O)CC2CCN(C)CC2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000071385097 558897362 /nfs/dbraw/zinc/89/73/62/558897362.db2.gz LVBRBQNUTLEDMA-UHFFFAOYSA-N 0 3 408.568 1.602 50 0 HDAAHN O=C([C@@H]1CCCN(C2CCN(S(=O)(=O)c3cccnc3)CC2)C1)N1CCCC1 ZINC000071746531 558908289 /nfs/dbraw/zinc/90/82/89/558908289.db2.gz HYLGUISYNLKTMI-QGZVFWFLSA-N 0 3 406.552 1.569 50 0 HDAAHN CN1CCC(Oc2ccc(CNC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 ZINC000065362702 558973465 /nfs/dbraw/zinc/97/34/65/558973465.db2.gz CSFZOSNHJFWULD-QGZVFWFLSA-N 0 3 409.552 1.447 50 0 HDAAHN Cc1nc(NCCNS(=O)(=O)c2cccc(Cl)c2)cc(N2CCOCC2)n1 ZINC000065363798 558974954 /nfs/dbraw/zinc/97/49/54/558974954.db2.gz LDSCURIGTHRVIR-UHFFFAOYSA-N 0 3 411.915 1.665 50 0 HDAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 ZINC000072441856 558981978 /nfs/dbraw/zinc/98/19/78/558981978.db2.gz AERUBZYFSHSWJF-UHFFFAOYSA-N 0 3 416.476 1.777 50 0 HDAAHN CN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)CC1 ZINC000067602170 558987834 /nfs/dbraw/zinc/98/78/34/558987834.db2.gz SXLGUQHTDDRIKL-UHFFFAOYSA-N 0 3 414.959 1.100 50 0 HDAAHN CCCSCC(=O)N1CCC2(CN(CCN3CCN(CC)CC3)C(=O)O2)CC1 ZINC000077376718 559002699 /nfs/dbraw/zinc/00/26/99/559002699.db2.gz BGVVKTPINFOWSL-UHFFFAOYSA-N 0 3 412.600 1.581 50 0 HDAAHN Cc1ccc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CCN5CCCCC5)C(=O)[C@@H]24)O3)o1 ZINC000077405992 559003813 /nfs/dbraw/zinc/00/38/13/559003813.db2.gz MHYVVOYREOYGKL-VAWZGJIGSA-N 0 3 413.518 1.814 50 0 HDAAHN CCN1CCN(CCCN2CC3(CCN(C(=O)c4ccncc4)CC3)OC2=O)CC1 ZINC000077553927 559009065 /nfs/dbraw/zinc/00/90/65/559009065.db2.gz AYPCLNXTHFYPCV-UHFFFAOYSA-N 0 3 415.538 1.536 50 0 HDAAHN CCCS(=O)(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082106898 559038362 /nfs/dbraw/zinc/03/83/62/559038362.db2.gz NERCEBWHLYBNCH-GOSISDBHSA-N 0 3 408.568 1.614 50 0 HDAAHN COCCn1c(=O)[nH]c2cc(C(=O)NCCN3[C@H](C)CCC[C@H]3C)ccc2c1=O ZINC000004791792 559065481 /nfs/dbraw/zinc/06/54/81/559065481.db2.gz YTQNMJFWDBQOMQ-HUUCEWRRSA-N 0 3 402.495 1.329 50 0 HDAAHN Cc1n[nH]c(CCC(=O)N2CCC3(CCC(=O)N([C@H]4CCN(C)C4)C3)CC2)c1C ZINC000095519760 559085132 /nfs/dbraw/zinc/08/51/32/559085132.db2.gz MAAMTUXLEQXNFJ-SFHVURJKSA-N 0 3 401.555 1.894 50 0 HDAAHN CC(C)CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)CC1 ZINC000005147923 559252766 /nfs/dbraw/zinc/25/27/66/559252766.db2.gz IKAVTQZASVRVLO-UHFFFAOYSA-N 0 3 414.485 1.389 50 0 HDAAHN Cn1cc(C(=O)N2CCC3(CC2)C[C@@H](N2CCN(c4ccccn4)CC2)CCO3)cn1 ZINC000575317173 560855612 /nfs/dbraw/zinc/85/56/12/560855612.db2.gz UPNQUIOTVLBDQA-FQEVSTJZSA-N 0 3 424.549 1.791 50 0 HDAAHN COc1ccc(CN2CCCn3nc([C@H](O)CO)cc3C2)cc1CN1CCCC1 ZINC000221420190 568509888 /nfs/dbraw/zinc/50/98/88/568509888.db2.gz XGQKREBKOLWPGV-OAQYLSRUSA-N 0 3 400.523 1.919 50 0 HDAAHN CCN1CCC(N(CC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)C2CC2)CC1 ZINC000095446696 568612034 /nfs/dbraw/zinc/61/20/34/568612034.db2.gz NJXOUOHQCCJQMC-GOSISDBHSA-N 0 3 423.583 1.438 50 0 HDAAHN CC(=O)[C@@H]1CC(C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)=NN1c1ccccc1 ZINC000095455952 568617426 /nfs/dbraw/zinc/61/74/26/568617426.db2.gz NBHQTJUTXSMLBJ-VGSWGCGISA-N 0 3 411.550 1.837 50 0 HDAAHN CCN1CCN(CCNC(=O)c2ccc(NC(=O)C3=C(C)OCCS3)cc2)CC1 ZINC000020919507 568650859 /nfs/dbraw/zinc/65/08/59/568650859.db2.gz VKSPALZKGKFBOX-UHFFFAOYSA-N 0 3 418.563 1.987 50 0 HDAAHN Cc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000020938329 568652659 /nfs/dbraw/zinc/65/26/59/568652659.db2.gz AEIMWTOPVQIKJJ-UHFFFAOYSA-N 0 3 424.549 1.496 50 0 HDAAHN CCCN1CCN(CCCNC(=O)CCCN2c3cc(C)nn3CCC2=O)CC1 ZINC000020944063 568653119 /nfs/dbraw/zinc/65/31/19/568653119.db2.gz BHFJCRVCRSNAHD-UHFFFAOYSA-N 0 3 404.559 1.242 50 0 HDAAHN NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21 ZINC000002967993 568831178 /nfs/dbraw/zinc/83/11/78/568831178.db2.gz RZVCDGRVHQHPMI-OAHLLOKOSA-N 0 3 413.503 1.703 50 0 HDAAHN C[C@H](NC[C@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000003211785 568862210 /nfs/dbraw/zinc/86/22/10/568862210.db2.gz DGUBEVHBQSTJMV-HKUYNNGSSA-N 0 3 420.531 1.798 50 0 HDAAHN CN(CC(=O)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)Cc1ccncc1 ZINC000670436793 568879412 /nfs/dbraw/zinc/87/94/12/568879412.db2.gz RBXGWMKJCOVKRY-GWHCDVRWSA-N 0 3 405.546 1.197 50 0 HDAAHN Cc1nnc(SCC(=O)N[C@@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)s1 ZINC000670439359 568885496 /nfs/dbraw/zinc/88/54/96/568885496.db2.gz AYKFZTGCWOJLKQ-RVSXGSNBSA-N 0 3 415.588 1.622 50 0 HDAAHN COc1ccc(CN2CCCN(C(C)=O)CC2)cc1OC[C@H](O)CN1CCCCC1 ZINC000012703963 568917430 /nfs/dbraw/zinc/91/74/30/568917430.db2.gz VAVXZHQCLVEELY-OAQYLSRUSA-N 0 3 419.566 1.975 50 0 HDAAHN COc1ccccc1CNC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000004083738 568939536 /nfs/dbraw/zinc/93/95/36/568939536.db2.gz FWAYSZFKUFWCRV-KXBFYZLASA-N 0 3 418.538 1.038 50 0 biogenic HDAAHN O=S(=O)(c1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)nc1)N1CCOCC1 ZINC000007980983 568963733 /nfs/dbraw/zinc/96/37/33/568963733.db2.gz LRERYWOEMZXQBH-GOSISDBHSA-N 0 3 402.520 1.789 50 0 HDAAHN O=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)N1CCN(C2CCCCC2)CC1 ZINC000015766698 568993281 /nfs/dbraw/zinc/99/32/81/568993281.db2.gz JLPSEQXWLXCRMC-UHFFFAOYSA-N 0 3 423.583 1.535 50 0 HDAAHN O=C(NCCN1CCCCC1)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000015777362 569000345 /nfs/dbraw/zinc/00/03/45/569000345.db2.gz HBLCOSSFQXVTJY-UHFFFAOYSA-N 0 3 406.556 1.483 50 0 HDAAHN CN(C)CCNC(=O)CCCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000085645218 569005352 /nfs/dbraw/zinc/00/53/52/569005352.db2.gz SZRQGMXDPVJQEN-UHFFFAOYSA-N 0 3 422.555 1.064 50 0 HDAAHN CN(C)Cc1ccccc1CNC(=O)CCNC1=NS(=O)(=O)c2ccccc21 ZINC000006992960 569031364 /nfs/dbraw/zinc/03/13/64/569031364.db2.gz YDURPHMOBYPCML-UHFFFAOYSA-N 0 3 400.504 1.493 50 0 HDAAHN C[C@@H]1CCCN(c2nn3c(nc(=O)cc3C(=O)NCCCN3CCCCC3)s2)C1 ZINC000035377860 569034484 /nfs/dbraw/zinc/03/44/84/569034484.db2.gz FHMJTWXZALRAJJ-OAHLLOKOSA-N 0 3 418.567 1.993 50 0 HDAAHN C[C@@H]1CCCN(c2nn3c(nc(=O)cc3C(=O)NCCN3CCCCCC3)s2)C1 ZINC000064836843 569104917 /nfs/dbraw/zinc/10/49/17/569104917.db2.gz QDULCTJAPOTBEW-OAHLLOKOSA-N 0 3 418.567 1.993 50 0 HDAAHN Cc1noc(C)c1S(=O)(=O)N1CCC([C@H](C)C(=O)NCCN2CCCC2)CC1 ZINC000065061525 569165805 /nfs/dbraw/zinc/16/58/05/569165805.db2.gz SVXTYNLRXUQBRQ-AWEZNQCLSA-N 0 3 412.556 1.540 50 0 HDAAHN Cc1nnc2c(=O)n(CC(=O)N3CCN(C4CCCCC4)CC3)c3cccnc3n12 ZINC000065172993 569190085 /nfs/dbraw/zinc/19/00/85/569190085.db2.gz PCIMQAJAVRXYGJ-UHFFFAOYSA-N 0 3 409.494 1.225 50 0 HDAAHN CN1CCC(N2CCN(C(=O)Cn3cc(-c4ccc(F)cc4)oc3=O)CC2)CC1 ZINC000065255654 569207885 /nfs/dbraw/zinc/20/78/85/569207885.db2.gz ZTGMSWWCKLWAEO-UHFFFAOYSA-N 0 3 402.470 1.486 50 0 HDAAHN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NC2CCN(C)CC2)CC3)CC1 ZINC000065273392 569216153 /nfs/dbraw/zinc/21/61/53/569216153.db2.gz MCPFOIIGZYRYQI-OAHLLOKOSA-N 0 3 405.568 1.127 50 0 HDAAHN O=C(CN1c2ccc(F)cc2C(=O)N2CCC[C@H]2C1=O)NCCN1CCCCCC1 ZINC000065306876 569220796 /nfs/dbraw/zinc/22/07/96/569220796.db2.gz SEGGNQFWOCYMTC-IBGZPJMESA-N 0 3 416.497 1.769 50 0 HDAAHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000497355532 569282063 /nfs/dbraw/zinc/28/20/63/569282063.db2.gz YEPOPTXBSHXYQE-DOMZBBRYSA-N 0 3 407.533 1.773 50 0 HDAAHN CN(C)CCN1CCN(c2nc3nn(C)c(N)c3c(-c3cccc(F)c3F)n2)CC1 ZINC000037376152 569288005 /nfs/dbraw/zinc/28/80/05/569288005.db2.gz FMOSJVICIQNBFB-UHFFFAOYSA-N 0 3 416.480 1.574 50 0 HDAAHN CCOCCN1CCN(c2cc(N3CCN(CCOCC)[C@H](C)C3)ncn2)C[C@H]1C ZINC000252510851 569291700 /nfs/dbraw/zinc/29/17/00/569291700.db2.gz CGPBELXXEAEBJR-WOJBJXKFSA-N 0 3 420.602 1.571 50 0 HDAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)c4cnn(C)c4)CC3)C2)CC1 ZINC000581819688 569320733 /nfs/dbraw/zinc/32/07/33/569320733.db2.gz CBMBWWHLGHRZMV-FQEVSTJZSA-N 0 3 403.571 1.848 50 0 HDAAHN CCS(=O)(=O)N1CCC2(CC1)C[C@@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581820215 569321114 /nfs/dbraw/zinc/32/11/14/569321114.db2.gz YJZQCZKBZGRXQD-SFHVURJKSA-N 0 3 408.568 1.567 50 0 HDAAHN COc1ccc(OC[C@@H](O)CN(CCO)C[C@H](O)Cn2ccc3ccccc32)cc1 ZINC000002710303 569322316 /nfs/dbraw/zinc/32/23/16/569322316.db2.gz RDLCNKMHHWWUDK-PMACEKPBSA-N 0 3 414.502 1.745 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CCCn2cncn2)CC1 ZINC000012050800 569399399 /nfs/dbraw/zinc/39/93/99/569399399.db2.gz WEABWPAODKCKRK-IBGZPJMESA-N 0 3 404.559 1.678 50 0 HDAAHN CCn1c(=O)[nH]c(=O)c2c(C(=O)NC[C@H](C)N3CCC(C)CC3)cc(C3CC3)nc21 ZINC000078710775 569419712 /nfs/dbraw/zinc/41/97/12/569419712.db2.gz DBABXVMNJRCMMH-AWEZNQCLSA-N 0 3 413.522 1.832 50 0 HDAAHN CN(C)C[C@H](O)COc1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000079066751 569426544 /nfs/dbraw/zinc/42/65/44/569426544.db2.gz LJVBCERZVHTEPW-RBBKRZOGSA-N 0 3 413.518 1.827 50 0 HDAAHN CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000067287130 571064942 /nfs/dbraw/zinc/06/49/42/571064942.db2.gz DQFMPJKOAPYFDO-IBGZPJMESA-N 0 3 402.495 1.504 50 0 HDAAHN CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000067287936 571065621 /nfs/dbraw/zinc/06/56/21/571065621.db2.gz UAUTYSPLDQPKFU-LJQANCHMSA-N 0 3 402.495 1.504 50 0 HDAAHN CCOc1ccccc1[C@H]1NC(=O)NC(CN2CCCN(C)CC2)=C1C(=O)OC ZINC000067287911 571065694 /nfs/dbraw/zinc/06/56/94/571065694.db2.gz YGTHEMCWVYKOLB-LJQANCHMSA-N 0 3 402.495 1.504 50 0 HDAAHN Cc1c(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)cnc2ccnn21 ZINC000670474321 571110854 /nfs/dbraw/zinc/11/08/54/571110854.db2.gz MOJDHSAUVKOGOJ-VSZUSUSQSA-N 0 3 402.502 1.335 50 0 HDAAHN NC(=O)COc1ccccc1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000040087047 571157626 /nfs/dbraw/zinc/15/76/26/571157626.db2.gz WMGLEZKKNRWPBU-UHFFFAOYSA-N 0 3 410.518 1.488 50 0 HDAAHN NC(=O)C1CCN(CCCNC(=O)c2ccccc2I)CC1 ZINC000040121315 571177183 /nfs/dbraw/zinc/17/71/83/571177183.db2.gz LMXRWBZNSVRSCA-UHFFFAOYSA-N 0 3 415.275 1.608 50 0 HDAAHN Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCN3CCOCC3)C2)CC1 ZINC000012305532 132358304 /nfs/dbraw/zinc/35/83/04/132358304.db2.gz QKJHUDCEHICQFE-OAQYLSRUSA-N 0 3 400.567 1.830 50 0 HDAAHN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C(C)S(=O)(=O)C[C@H]1CCCO1 ZINC000032926814 520352953 /nfs/dbraw/zinc/35/29/53/520352953.db2.gz XBMISSOIRHMKPZ-CHWSQXEVSA-N 0 3 418.462 1.734 50 0 HDAAHN CCc1ccc(S(=O)(=O)N(CC(=O)N2CCNCC2)C[C@H]2CCCN2CC)cc1 ZINC000045974521 524010693 /nfs/dbraw/zinc/01/06/93/524010693.db2.gz LGXJDEXGQGKAGD-LJQANCHMSA-N 0 3 422.595 1.156 50 0 HDAAHN Cc1nnnn1-c1cccc(NC(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000044921540 526433168 /nfs/dbraw/zinc/43/31/68/526433168.db2.gz UYMRYLFJPFOTCE-UHFFFAOYSA-N 0 3 419.489 1.690 50 0 HDAAHN CCOc1cc(CNCCSc2nnnn2C)ccc1OCC(=O)NC(C)(C)C ZINC000008254419 557778501 /nfs/dbraw/zinc/77/85/01/557778501.db2.gz QWKFINHZQHXILU-UHFFFAOYSA-N 0 3 422.555 1.784 50 0 HDAAHN O=C(NCCc1nnc2n1CCN(Cc1cccc3cccnc31)CC2)[C@H]1CCCO1 ZINC000020450762 558365595 /nfs/dbraw/zinc/36/55/95/558365595.db2.gz OKUZPZIWHHWHTQ-LJQANCHMSA-N 0 3 420.517 1.722 50 0 HDAAHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CN4CCOC4=O)C3)C2)c1OC ZINC000012303188 558372876 /nfs/dbraw/zinc/37/28/76/558372876.db2.gz RYOBVQAPIGONQB-JOCHJYFZSA-N 0 3 417.506 1.971 50 0 HDAAHN O=C(c1cn(CCN2CCCCC2)nn1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000012313745 558377147 /nfs/dbraw/zinc/37/71/47/558377147.db2.gz KQGUYMVNRZXRJG-UHFFFAOYSA-N 0 3 409.494 1.868 50 0 HDAAHN CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 ZINC000012993426 558497389 /nfs/dbraw/zinc/49/73/89/558497389.db2.gz ZNDDTRQZZJNMIZ-UHFFFAOYSA-N 0 3 401.479 1.530 50 0 HDAAHN C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012993339 558497470 /nfs/dbraw/zinc/49/74/70/558497470.db2.gz IXFRTZILFJGACI-AWEZNQCLSA-N 0 3 401.479 1.672 50 0 HDAAHN Cc1ccc(CN2CCCN(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000022831328 558515389 /nfs/dbraw/zinc/51/53/89/558515389.db2.gz PXIQHOLVQGDKPZ-UHFFFAOYSA-N 0 3 416.547 1.789 50 0 HDAAHN COc1ccc([C@H](CNC(=O)COCc2nc3ccccc3c(=O)[nH]2)N(C)C)cc1 ZINC000023178140 558540560 /nfs/dbraw/zinc/54/05/60/558540560.db2.gz JWWYCXUWYJVMSF-IBGZPJMESA-N 0 3 410.474 1.867 50 0 HDAAHN COc1cc(CNC[C@H](O)CN2CCOCC2)ccc1OCc1csc(C)n1 ZINC000023762157 558574707 /nfs/dbraw/zinc/57/47/07/558574707.db2.gz YWHWWJVDWZIODS-SFHVURJKSA-N 0 3 407.536 1.822 50 0 HDAAHN COc1cc(CNC[C@@H](O)CN2CCOCC2)ccc1OCc1csc(C)n1 ZINC000023762152 558574768 /nfs/dbraw/zinc/57/47/68/558574768.db2.gz YWHWWJVDWZIODS-GOSISDBHSA-N 0 3 407.536 1.822 50 0 HDAAHN COc1ccc(-c2nc(SCCN(C)C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000013693412 558574827 /nfs/dbraw/zinc/57/48/27/558574827.db2.gz RNHDVRHHJGSYOX-UHFFFAOYSA-N 0 3 401.492 1.357 50 0 HDAAHN CC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1cnn(C)c1)CC2 ZINC000014752577 558671037 /nfs/dbraw/zinc/67/10/37/558671037.db2.gz APCJVEHVTCCUNQ-UHFFFAOYSA-N 0 3 404.559 1.627 50 0 HDAAHN CCOC(=O)N1CCC(N2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)CC1 ZINC000014983712 558692438 /nfs/dbraw/zinc/69/24/38/558692438.db2.gz AHLLFZFOVQSTLM-SFHVURJKSA-N 0 3 420.558 1.980 50 0 HDAAHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCc1ccccc1C[NH+](C)C ZINC000028939822 558707703 /nfs/dbraw/zinc/70/77/03/558707703.db2.gz MLFMHXVCPCELAK-UHFFFAOYSA-N 0 3 413.522 1.226 50 0 HDAAHN CN(C(=O)CC[C@@H]1CCCN(C(=O)CN2CCCCC2=O)C1)C1CCN(C)CC1 ZINC000015067297 558710127 /nfs/dbraw/zinc/71/01/27/558710127.db2.gz DRYMYFLRBMIFDA-SFHVURJKSA-N 0 3 406.571 1.570 50 0 HDAAHN COC(=O)c1ccc(N2C(=O)C[C@H](NCCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000018106022 558831275 /nfs/dbraw/zinc/83/12/75/558831275.db2.gz YNHSAGSGYLYVJR-KRWDZBQOSA-N 0 3 412.442 1.955 50 0 HDAAHN Cc1ccccc1NC(=O)CC(=O)N1CCCN(CCCN2CCOCC2)CC1 ZINC000055326448 558879093 /nfs/dbraw/zinc/87/90/93/558879093.db2.gz SOINRGHVKVSCLD-UHFFFAOYSA-N 0 3 402.539 1.580 50 0 HDAAHN COc1cc(N(CC(=O)NC2CCN(C)CC2)S(C)(=O)=O)c(OC)cc1Cl ZINC000065362929 558973959 /nfs/dbraw/zinc/97/39/59/558973959.db2.gz IXXAFCGHJTWSHQ-UHFFFAOYSA-N 0 3 419.931 1.334 50 0 HDAAHN CCN(Cc1noc(C)n1)C(=O)C1C2C=CC3(CN(Cc4cccnc4)C(=O)C13)O2 ZINC000077323067 559001516 /nfs/dbraw/zinc/00/15/16/559001516.db2.gz ZRUVZHMWPKHMTB-DKXUYOFUSA-N 0 3 409.446 1.104 50 0 HDAAHN CCN1CCN(CCCN2CC3(CCN(c4ccnc(C)n4)CC3)OC2=O)CC1 ZINC000077438314 559005310 /nfs/dbraw/zinc/00/53/10/559005310.db2.gz SRCVOQIMXUBIHM-UHFFFAOYSA-N 0 3 402.543 1.604 50 0 HDAAHN O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2CCC3(CCO3)CC2)[nH]c1=O ZINC000077485681 559006953 /nfs/dbraw/zinc/00/69/53/559006953.db2.gz FIHIBACYTBVUPF-UHFFFAOYSA-N 0 3 411.458 1.789 50 0 HDAAHN O=C(NCc1cccnc1)[C@H]1CCCN(C2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000082115151 559039038 /nfs/dbraw/zinc/03/90/38/559039038.db2.gz SPHQMGCNUASYKG-KRWDZBQOSA-N 0 3 406.552 1.366 50 0 HDAAHN CN(C)c1ccc(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)cc1 ZINC000095362112 559080100 /nfs/dbraw/zinc/08/01/00/559080100.db2.gz WKHNBBVJIWZPGB-IRLDBZIGSA-N 0 3 402.583 1.532 50 0 HDAAHN COCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1cc(CC(C)C)[nH]n1)CC2 ZINC000095498461 559081962 /nfs/dbraw/zinc/08/19/62/559081962.db2.gz QGAKMOWIGWAZAN-UHFFFAOYSA-N 0 3 400.527 1.854 50 0 HDAAHN COCC(=O)N1CCc2nc[nH]c2C12CCN(Cc1cc(CC(C)C)n[nH]1)CC2 ZINC000095498461 559081964 /nfs/dbraw/zinc/08/19/64/559081964.db2.gz QGAKMOWIGWAZAN-UHFFFAOYSA-N 0 3 400.527 1.854 50 0 HDAAHN COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCCN1C(C)C)CC2 ZINC000095529844 559086687 /nfs/dbraw/zinc/08/66/87/559086687.db2.gz HNQSEHUCAVWEKI-KRWDZBQOSA-N 0 3 403.527 1.131 50 0 HDAAHN Cc1c(CN2CCC3(CC2)CCN(C(=O)Cc2cnc[nH]2)C[C@@H]3CO)cnn1C ZINC000097495073 559118952 /nfs/dbraw/zinc/11/89/52/559118952.db2.gz FHYHITNZOHQTQC-GOSISDBHSA-N 0 3 400.527 1.117 50 0 HDAAHN O=C1N(CC2CCCCC2)CCC[C@]1(O)CN1CCCN(c2ncccn2)CC1 ZINC000106740998 559163848 /nfs/dbraw/zinc/16/38/48/559163848.db2.gz HVWIOQLZYHXGRI-QFIPXVFZSA-N 0 3 401.555 1.923 50 0 HDAAHN CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2NCCCN2CCC[C@H](C)C2)CC1 ZINC000101535749 560797037 /nfs/dbraw/zinc/79/70/37/560797037.db2.gz GMAPOBWEEUQDKA-HNNXBMFYSA-N 0 3 406.527 1.849 50 0 HDAAHN CCN1CCN(CCCNC(=O)Cn2c3ccccc3c3nc(=O)cc(C)n32)CC1 ZINC000020464834 568610066 /nfs/dbraw/zinc/61/00/66/568610066.db2.gz ISXCBBPFQZEBEB-UHFFFAOYSA-N 0 3 410.522 1.101 50 0 HDAAHN Cc1nn(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)c(=O)c2cccn21 ZINC000020467209 568610437 /nfs/dbraw/zinc/61/04/37/568610437.db2.gz OWUVGGRKOBNLQI-UHFFFAOYSA-N 0 3 422.533 1.129 50 0 HDAAHN CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCN1CCCCCC1 ZINC000020531918 568627657 /nfs/dbraw/zinc/62/76/57/568627657.db2.gz RDWXZDUGCPDGQZ-UHFFFAOYSA-N 0 3 407.511 1.843 50 0 biogenic HDAAHN C[C@@H]1CN(CCC2CCN(C(=O)CNc3ccccc3C(N)=O)CC2)C[C@@H](C)O1 ZINC000225707049 568666255 /nfs/dbraw/zinc/66/62/55/568666255.db2.gz SPTAYWSBOHWRCM-IAGOWNOFSA-N 0 3 402.539 1.935 50 0 HDAAHN O=C(NCCCCN1CCN(c2ccccc2)CC1)C1(N2CCOCC2)CCC1 ZINC000095983233 568675740 /nfs/dbraw/zinc/67/57/40/568675740.db2.gz SRVIQWFMEQBSMI-UHFFFAOYSA-N 0 3 400.567 1.960 50 0 HDAAHN CN1CCC(N2CCN(C(=O)CCc3ccnc(N4CCOCC4)c3)CC2)CC1 ZINC000096102107 568691229 /nfs/dbraw/zinc/69/12/29/568691229.db2.gz JNOBKQQCKFYDGC-UHFFFAOYSA-N 0 3 401.555 1.089 50 0 HDAAHN COc1cc(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c(C)cc1C ZINC000021794637 568753474 /nfs/dbraw/zinc/75/34/74/568753474.db2.gz RCKKWQLZOQTDOK-UHFFFAOYSA-N 0 3 419.551 1.987 50 0 HDAAHN NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21 ZINC000002968186 568831148 /nfs/dbraw/zinc/83/11/48/568831148.db2.gz UDKSTXRCZYYZBR-MRXNPFEDSA-N 0 3 421.482 1.570 50 0 HDAAHN C[C@@H](NC[C@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000003211787 568862131 /nfs/dbraw/zinc/86/21/31/568862131.db2.gz DGUBEVHBQSTJMV-MJGOQNOKSA-N 0 3 420.531 1.798 50 0 HDAAHN CN1CCC(OC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)CC1 ZINC000003213085 568862198 /nfs/dbraw/zinc/86/21/98/568862198.db2.gz VGGQMAMGTNZOMO-UHFFFAOYSA-N 0 3 424.548 1.729 50 0 HDAAHN O=C(NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1ccc(F)cc1F ZINC000299790712 568875863 /nfs/dbraw/zinc/87/58/63/568875863.db2.gz CJLWMKKQKQDFII-QGZVFWFLSA-N 0 3 407.461 1.939 50 0 HDAAHN CN(CC(=O)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)Cc1ccncc1 ZINC000670436794 568879437 /nfs/dbraw/zinc/87/94/37/568879437.db2.gz RBXGWMKJCOVKRY-SDPJGKNGSA-N 0 3 405.546 1.197 50 0 HDAAHN CC1CCN(CCNC(=O)CN(C)S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000004103818 568942980 /nfs/dbraw/zinc/94/29/80/568942980.db2.gz JJLAXDCZCKIERP-UHFFFAOYSA-N 0 3 411.553 1.160 50 0 HDAAHN CNC(=O)c1ccc(CN2CCN(C)[C@]3(C2)CCC(=O)N(CCOC)CC3)cc1 ZINC000107402742 569009165 /nfs/dbraw/zinc/00/91/65/569009165.db2.gz QKAQXGZYNFVMDC-JOCHJYFZSA-N 0 3 402.539 1.191 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)c1nnc(Cc2cc(OC)c(OC)c(OC)c2)o1 ZINC000006821573 569140511 /nfs/dbraw/zinc/14/05/11/569140511.db2.gz CSTQOAMSTZYDRY-CQSZACIVSA-N 0 3 404.467 1.900 50 0 HDAAHN C[C@H]1CCCCN1CCNC(=O)c1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1 ZINC000065114009 569180940 /nfs/dbraw/zinc/18/09/40/569180940.db2.gz OLJHWXFWVCGWSQ-AWEZNQCLSA-N 0 3 421.523 1.591 50 0 HDAAHN Cc1nc(-c2cccnc2SCC(=O)N2CCN(C3CCN(C)CC3)CC2)no1 ZINC000065211307 569196455 /nfs/dbraw/zinc/19/64/55/569196455.db2.gz UHPZDYQVTPZWIO-UHFFFAOYSA-N 0 3 416.551 1.771 50 0 HDAAHN CCS(=O)(=O)Nc1ccc(C)n(CC(=O)N2CCN(C3CCCCC3)CC2)c1=O ZINC000065212394 569197345 /nfs/dbraw/zinc/19/73/45/569197345.db2.gz OIKPUQLICVWTKP-UHFFFAOYSA-N 0 3 424.567 1.395 50 0 HDAAHN CN1CCN(CCCNC(=O)c2cccc(N3CCN[C@@H](c4ccccc4)C3)n2)CC1 ZINC000065256326 569208449 /nfs/dbraw/zinc/20/84/49/569208449.db2.gz FMKDLYIBJBHECE-JOCHJYFZSA-N 0 3 422.577 1.600 50 0 HDAAHN CC1CCN(CCNC(=O)CN2c3cc(F)ccc3C(=O)N3CCC[C@@H]3C2=O)CC1 ZINC000065307025 569220926 /nfs/dbraw/zinc/22/09/26/569220926.db2.gz JHIDKXSSPDTUKR-GOSISDBHSA-N 0 3 416.497 1.625 50 0 HDAAHN COc1cccc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1OC ZINC000019568073 569326892 /nfs/dbraw/zinc/32/68/92/569326892.db2.gz YDIULXYZMOYAMH-UHFFFAOYSA-N 0 3 400.479 1.225 50 0 HDAAHN COc1cccc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1OC ZINC000019568073 569326894 /nfs/dbraw/zinc/32/68/94/569326894.db2.gz YDIULXYZMOYAMH-UHFFFAOYSA-N 0 3 400.479 1.225 50 0 HDAAHN CS[C@H]1CN(S(=O)(=O)CCC(=O)OCc2ccccc2)C[C@H]1N1CCCC1 ZINC000253370553 569364667 /nfs/dbraw/zinc/36/46/67/569364667.db2.gz SKHGGXJYVIMRPW-MSOLQXFVSA-N 0 3 412.577 1.961 50 0 HDAAHN O=C(c1cc(S(=O)(=O)N2CC[C@@H](OCCN3CCCCC3)C2)c[nH]1)N1CCCC1 ZINC000079105710 569427701 /nfs/dbraw/zinc/42/77/01/569427701.db2.gz ISJKOLXDPICSNM-QGZVFWFLSA-N 0 3 424.567 1.516 50 0 HDAAHN COc1cccc(N2CCn3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)c1 ZINC000008709883 571104690 /nfs/dbraw/zinc/10/46/90/571104690.db2.gz JDGRZQLWKJSRMX-UHFFFAOYSA-N 0 3 424.505 1.543 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000009420678 571256986 /nfs/dbraw/zinc/25/69/86/571256986.db2.gz MEGHVMDIAFRODN-QGZVFWFLSA-N 0 3 409.490 1.551 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000009420679 571257005 /nfs/dbraw/zinc/25/70/05/571257005.db2.gz MEGHVMDIAFRODN-KRWDZBQOSA-N 0 3 409.490 1.551 50 0 HDAAHN CCc1ccc(-c2cc3c(=O)n(CC(=O)NC[C@@H]4CCCN4CC)ncn3n2)cc1 ZINC000009727256 571282452 /nfs/dbraw/zinc/28/24/52/571282452.db2.gz FVVJZRJTWBCVOE-SFHVURJKSA-N 0 3 408.506 1.721 50 0 HDAAHN O=C(NCCN1CCCC1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000006936197 132321070 /nfs/dbraw/zinc/32/10/70/132321070.db2.gz YOXODHVWUKLNEI-KRWDZBQOSA-N 0 3 411.554 1.981 50 0 HDAAHN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ccncc3)CC2)C1=O ZINC000008122325 132327466 /nfs/dbraw/zinc/32/74/66/132327466.db2.gz VBHABMPIMUTARU-HSZRJFAPSA-N 0 3 421.501 1.674 50 0 HDAAHN CCN1CCN(C(=O)c2ccc(N3CCC(NCc4cnn(C)c4)CC3)cc2)CC1 ZINC000011913702 132352174 /nfs/dbraw/zinc/35/21/74/132352174.db2.gz HDMXJKDJKCJZFB-UHFFFAOYSA-N 0 3 410.566 1.956 50 0 HDAAHN CCN1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(F)c(F)c1 ZINC000045966774 521632767 /nfs/dbraw/zinc/63/27/67/521632767.db2.gz ZANWKHRSJVFNMG-QGZVFWFLSA-N 0 3 408.493 1.713 50 0 HDAAHN CCc1ccc(S(=O)(=O)N(CC(=O)N2CCNCC2)C[C@@H]2CCCN2CC)cc1 ZINC000045974519 524010485 /nfs/dbraw/zinc/01/04/85/524010485.db2.gz LGXJDEXGQGKAGD-IBGZPJMESA-N 0 3 422.595 1.156 50 0 HDAAHN O[C@@H](CNCc1ccco1)COc1ccc(OC[C@@H](O)CNCc2ccco2)cc1 ZINC000004200643 557528404 /nfs/dbraw/zinc/52/84/04/557528404.db2.gz DEKFRJPLJRRDIF-ROUUACIJSA-N 0 3 416.474 1.932 50 0 HDAAHN CN(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl ZINC000004809688 557599999 /nfs/dbraw/zinc/59/99/99/557599999.db2.gz NMXZFNZNFZYNMA-UHFFFAOYSA-N 0 3 408.865 1.248 50 0 HDAAHN COc1ccc(NC(=O)CN2CCC(C(N)=O)(N3CCCCC3)CC2)c(OC)c1 ZINC000004813893 557601109 /nfs/dbraw/zinc/60/11/09/557601109.db2.gz IFRJPRQEOFBVHW-UHFFFAOYSA-N 0 3 404.511 1.448 50 0 HDAAHN Cc1cc(CN2CCN(CC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)no1 ZINC000022799497 557824535 /nfs/dbraw/zinc/82/45/35/557824535.db2.gz IFFUQQXUJQSKIW-UHFFFAOYSA-N 0 3 411.550 1.881 50 0 HDAAHN O=C(CCC1CCN(C(=O)Cn2cncn2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000011814060 558278490 /nfs/dbraw/zinc/27/84/90/558278490.db2.gz KXRRLYGNNUQSOI-OAQYLSRUSA-N 0 3 424.549 1.688 50 0 HDAAHN O[C@H]1CN(Cc2ccc(Cn3cccn3)cc2)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000020254770 558351917 /nfs/dbraw/zinc/35/19/17/558351917.db2.gz OUTGPSQEIJEFLS-GOTSBHOMSA-N 0 3 418.545 1.694 50 0 HDAAHN CCN1CCC[C@@H]1CN[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000022780444 558509834 /nfs/dbraw/zinc/50/98/34/558509834.db2.gz QNVUULNMKWCSKY-FUHWJXTLSA-N 0 3 408.568 1.872 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccncc1 ZINC000013732133 558587174 /nfs/dbraw/zinc/58/71/74/558587174.db2.gz XYQJBRKQMCIRPW-KRWDZBQOSA-N 0 3 409.490 1.551 50 0 HDAAHN COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN([C@H](C)COC)CC2 ZINC000014542251 558660345 /nfs/dbraw/zinc/66/03/45/558660345.db2.gz DPUVMTRPEIOFEW-QGZVFWFLSA-N 0 3 419.522 1.975 50 0 HDAAHN O=C(Nc1ccc2c(c1)CCC2)[C@H]1CNC[C@@H](C(=O)NCCCN2CCOCC2)C1 ZINC000014733555 558666201 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CNS(=O)(=O)c1ccc(CNC(=O)C2CCN(Cc3cccnc3)CC2)cc1 ZINC000072294934 558744463 /nfs/dbraw/zinc/74/44/63/558744463.db2.gz GVDTXZSDWPWTIP-UHFFFAOYSA-N 0 3 402.520 1.518 50 0 HDAAHN CCN1CCN(CCNC(=O)c2cccc(NC(=O)c3nnc(C)s3)c2)CC1 ZINC000033022621 558837906 /nfs/dbraw/zinc/83/79/06/558837906.db2.gz MZDDBQMXDPUNBF-UHFFFAOYSA-N 0 3 402.524 1.466 50 0 HDAAHN O[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CC[C@H]1N1CCN(c2ccccn2)CC1 ZINC000019224713 558852643 /nfs/dbraw/zinc/85/26/43/558852643.db2.gz VUZGEROYXXIJCY-WOJBJXKFSA-N 0 3 410.518 1.610 50 0 HDAAHN CN1CCN(CCCNC(=O)c2ccc(-c3nc4ccccc4n(C)c3=O)cc2)CC1 ZINC000033171802 558900454 /nfs/dbraw/zinc/90/04/54/558900454.db2.gz ABQBWKZISHAMPJ-UHFFFAOYSA-N 0 3 419.529 1.968 50 0 HDAAHN Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)n1 ZINC000065363218 558974170 /nfs/dbraw/zinc/97/41/70/558974170.db2.gz PFTNMYOQKCJIKF-UHFFFAOYSA-N 0 3 402.524 1.681 50 0 HDAAHN CN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 ZINC000065364392 558975518 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568873579 /nfs/dbraw/zinc/87/35/79/568873579.db2.gz VTAHPZYSHLRCCS-IBGZPJMESA-N 0 3 403.458 1.188 50 0 HDAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccccc1-c1nc[nH]n1 ZINC000670456673 568937352 /nfs/dbraw/zinc/93/73/52/568937352.db2.gz VGNPRVRSWMYOQY-SSSUMRQXSA-N 0 3 414.513 1.769 50 0 HDAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccccc1-c1nnc[nH]1 ZINC000670456673 568937353 /nfs/dbraw/zinc/93/73/53/568937353.db2.gz VGNPRVRSWMYOQY-SSSUMRQXSA-N 0 3 414.513 1.769 50 0 HDAAHN CCc1ccc([C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)N(C)C)cc1 ZINC000012779795 568956694 /nfs/dbraw/zinc/95/66/94/568956694.db2.gz YHRQBZQBVFCZCV-GOSISDBHSA-N 0 3 405.520 1.938 50 0 HDAAHN CCCCn1c(N2CCN(CCCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004316423 568962212 /nfs/dbraw/zinc/96/22/12/568962212.db2.gz MQHDKJPZBMOLKC-UHFFFAOYSA-N 0 3 424.549 1.978 50 0 HDAAHN CN(C)[C@@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1cccc(F)c1 ZINC000012813522 568987391 /nfs/dbraw/zinc/98/73/91/568987391.db2.gz WLDAWGITMSVLKK-SFHVURJKSA-N 0 3 408.499 1.956 50 0 HDAAHN O=C(NCCN1CCCC1)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1 ZINC000015777492 569001250 /nfs/dbraw/zinc/00/12/50/569001250.db2.gz MURNQXMPWDNKOE-UHFFFAOYSA-N 0 3 406.556 1.483 50 0 HDAAHN Cc1ccc(-n2nc(C(=O)NCCN(C)Cc3ccccc3)c(=O)n(C)c2=O)cc1 ZINC000015786464 569007547 /nfs/dbraw/zinc/00/75/47/569007547.db2.gz NVJRJHDPBGWRDX-UHFFFAOYSA-N 0 3 407.474 1.101 50 0 HDAAHN CCOc1ccc(C(=O)N(CCN2CCCC[C@@H]2C)CC(=O)N2CCNCC2)cc1 ZINC000015864153 569016424 /nfs/dbraw/zinc/01/64/24/569016424.db2.gz PUYFPYYCHVWXDF-IBGZPJMESA-N 0 3 416.566 1.834 50 0 HDAAHN CCN(CC)CCn1c(N)cc(=O)n(CC(=O)Nc2ccccc2C(C)(C)C)c1=O ZINC000013009704 569050039 /nfs/dbraw/zinc/05/00/39/569050039.db2.gz OXFNRHDZLXVJFI-UHFFFAOYSA-N 0 3 415.538 1.870 50 0 HDAAHN CN1CCN(CCCNC(=O)CNC(=O)COc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000030000661 569052154 /nfs/dbraw/zinc/05/21/54/569052154.db2.gz ZYXFCDHRZHRPOS-JOCHJYFZSA-N 0 3 424.545 1.677 50 0 HDAAHN CN(C[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1)C1CCN(C)CC1 ZINC000241897323 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CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000497355533 569282066 /nfs/dbraw/zinc/28/20/66/569282066.db2.gz YEPOPTXBSHXYQE-IUODEOHRSA-N 0 3 407.533 1.773 50 0 HDAAHN CN1CCN(CCCNC(=O)c2cnc3sccn3c2=O)[C@@H](c2ccccc2)C1 ZINC000195528652 569311895 /nfs/dbraw/zinc/31/18/95/569311895.db2.gz SALNJIQNGNKVOY-GOSISDBHSA-N 0 3 411.531 1.865 50 0 HDAAHN C/C=C/Cn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3CCN2CCCCC2)n(C)c1=O ZINC000008706259 569390091 /nfs/dbraw/zinc/39/00/91/569390091.db2.gz QHJIMPXUBKMLHR-SQRWCISFSA-N 0 3 413.526 1.716 50 0 HDAAHN COc1ccc(CCC(=O)NCC(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 ZINC000008914989 571150541 /nfs/dbraw/zinc/15/05/41/571150541.db2.gz CRWLANHAFSYSCE-UHFFFAOYSA-N 0 3 411.506 1.131 50 0 HDAAHN CC(C(=O)NC1CCCC1)S(=O)(=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000040121927 571178061 /nfs/dbraw/zinc/17/80/61/571178061.db2.gz KBEVAHRPPFYAOX-ZDUSSCGKSA-N 0 3 418.537 1.426 50 0 HDAAHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1ccccc1 ZINC000009303004 132338361 /nfs/dbraw/zinc/33/83/61/132338361.db2.gz SSORFDQKYNLYPR-IAGOWNOFSA-N 0 3 408.462 1.005 50 0 HDAAHN CCN1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(OC)c1 ZINC000045966758 521652962 /nfs/dbraw/zinc/65/29/62/521652962.db2.gz JMLZVHOWFGWLTD-IBGZPJMESA-N 0 3 402.539 1.444 50 0 HDAAHN CCN1CCC[C@H]1CN(CC(=O)N1CCNCC1)S(=O)(=O)c1ccc(C)cc1C ZINC000045974506 521653280 /nfs/dbraw/zinc/65/32/80/521653280.db2.gz NUUVWUZQODAZTF-IBGZPJMESA-N 0 3 422.595 1.210 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN([C@H]2CC(=O)N(c3cccc(F)c3)C2=O)CC1 ZINC000001109114 557181917 /nfs/dbraw/zinc/18/19/17/557181917.db2.gz QZIKMTSBJFAIGO-KRWDZBQOSA-N 0 3 402.470 1.263 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN([C@H]2CC(=O)N(c3ccccc3Cl)C2=O)CC1 ZINC000001481080 557270102 /nfs/dbraw/zinc/27/01/02/557270102.db2.gz OJNZTQNJZNCFET-KRWDZBQOSA-N 0 3 418.925 1.778 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN([C@@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 ZINC000004177961 557525008 /nfs/dbraw/zinc/52/50/08/557525008.db2.gz ARJAEZNDZNXWTM-QGZVFWFLSA-N 0 3 402.470 1.263 50 0 HDAAHN O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1cn(CCN2CCCCC2)nn1 ZINC000012703837 558448767 /nfs/dbraw/zinc/44/87/67/558448767.db2.gz FSXLLDOBNCXYBI-UHFFFAOYSA-N 0 3 421.505 1.418 50 0 HDAAHN CCN1CCC[C@H]1CN[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000022780462 558509784 /nfs/dbraw/zinc/50/97/84/558509784.db2.gz QNVUULNMKWCSKY-WMZOPIPTSA-N 0 3 408.568 1.872 50 0 HDAAHN C[C@@H](C1CCN(C(=O)Cn2nnnc2CN2CCCCCC2)CC1)N1CCOCC1 ZINC000023339137 558550306 /nfs/dbraw/zinc/55/03/06/558550306.db2.gz JHBUYDNUXXMFFH-SFHVURJKSA-N 0 3 419.574 1.008 50 0 HDAAHN Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCN(C)C)CN(Cc3nccn3C)C2)cn1 ZINC000014535948 558658204 /nfs/dbraw/zinc/65/82/04/558658204.db2.gz XAPQBXMFNRIRLV-RBUKOAKNSA-N 0 3 414.554 1.318 50 0 HDAAHN COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(CCO)CC2 ZINC000014539307 558659199 /nfs/dbraw/zinc/65/91/99/558659199.db2.gz KBOKTYOMFZNIAE-UHFFFAOYSA-N 0 3 405.495 1.323 50 0 HDAAHN CCN1CCN(Cc2ccc(NC(=O)Cn3cnc4onc(C)c4c3=O)cc2)CC1 ZINC000022937116 558675064 /nfs/dbraw/zinc/67/50/64/558675064.db2.gz UDYUNOKXFZBLNV-UHFFFAOYSA-N 0 3 410.478 1.469 50 0 HDAAHN CN1CCN(CCCNC(=O)c2ccccc2NC(=O)C2=CSCCO2)CC1 ZINC000022937729 558726115 /nfs/dbraw/zinc/72/61/15/558726115.db2.gz YYICLPKSQPLYSW-UHFFFAOYSA-N 0 3 404.536 1.597 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN([C@@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 ZINC000018324322 558835665 /nfs/dbraw/zinc/83/56/65/558835665.db2.gz NDZYVJKKAZUJAO-LJQANCHMSA-N 0 3 412.534 1.162 50 0 HDAAHN Cc1[nH]c(C(=O)N2CCC(CC(=O)NCCCN3CCN(C)CC3)CC2)c(C)c1C ZINC000033024412 558841757 /nfs/dbraw/zinc/84/17/57/558841757.db2.gz KLTGKOGRULWDCP-UHFFFAOYSA-N 0 3 417.598 1.936 50 0 HDAAHN COc1ccc(CN2CCC(OC)CC2)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000019226149 558852788 /nfs/dbraw/zinc/85/27/88/558852788.db2.gz DCZKHBJIEBLRJJ-LJQANCHMSA-N 0 3 407.555 1.293 50 0 HDAAHN CN1CC2(CCN(C[C@@]3(O)CCCN(CCc4ccccc4)C3=O)CC2)OC1=O ZINC000067967957 558862170 /nfs/dbraw/zinc/86/21/70/558862170.db2.gz NDTWZOKXCJAIIQ-QFIPXVFZSA-N 0 3 401.507 1.499 50 0 HDAAHN CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)CC1 ZINC000065364705 558975760 /nfs/dbraw/zinc/97/57/60/558975760.db2.gz LIWDBDJKIWNBHA-IBGZPJMESA-N 0 3 407.580 1.871 50 0 HDAAHN CCn1c2ccccc2n(CC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c1=O ZINC000021943982 558979779 /nfs/dbraw/zinc/97/97/79/558979779.db2.gz CJCIEQVDJHXGNY-UHFFFAOYSA-N 0 3 420.513 1.964 50 0 HDAAHN Cc1cc(N(CC(=O)NC2CCN(C)CC2)S(C)(=O)=O)ccc1Br ZINC000067604711 558988601 /nfs/dbraw/zinc/98/86/01/558988601.db2.gz OJTDOMOCCINFOG-UHFFFAOYSA-N 0 3 418.357 1.734 50 0 HDAAHN CC(C)N1CCN(CCN2CC3(CCN(C(=O)c4ccccn4)CC3)OC2=O)CC1 ZINC000077341736 559001738 /nfs/dbraw/zinc/00/17/38/559001738.db2.gz QQWYIWBOHFQFFJ-UHFFFAOYSA-N 0 3 415.538 1.535 50 0 HDAAHN CN(C)S(=O)(=O)N1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000077387038 559003187 /nfs/dbraw/zinc/00/31/87/559003187.db2.gz LNGUIYSGUZDROR-HXUWFJFHSA-N 0 3 422.595 1.676 50 0 HDAAHN CCN1CCN(CCCN2CC3(CCN(C(=O)[C@H]4CC4(C)C)CC3)OC2=O)CC1 ZINC000077504938 559007605 /nfs/dbraw/zinc/00/76/05/559007605.db2.gz YDLHUNCBFYCZDA-GOSISDBHSA-N 0 3 406.571 1.874 50 0 HDAAHN O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000082086705 559036809 /nfs/dbraw/zinc/03/68/09/559036809.db2.gz LCINHSVUOVRAPN-INIZCTEOSA-N 0 3 406.552 1.366 50 0 HDAAHN CCCS(=O)(=O)N1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082106897 559038351 /nfs/dbraw/zinc/03/83/51/559038351.db2.gz NERCEBWHLYBNCH-SFHVURJKSA-N 0 3 408.568 1.614 50 0 HDAAHN CNC(=O)c1ccc(CN2CCN(C)[C@@]3(C2)CCC(=O)N(CCOC)CC3)cc1 ZINC000091435351 559071483 /nfs/dbraw/zinc/07/14/83/559071483.db2.gz QKAQXGZYNFVMDC-QFIPXVFZSA-N 0 3 402.539 1.191 50 0 HDAAHN CCN1CCN(C[C@H](O)COc2cccc(CN(C)Cc3c[nH]nc3C)c2)CC1 ZINC000095530572 559086848 /nfs/dbraw/zinc/08/68/48/559086848.db2.gz PKKGLUYSFVWOPG-NRFANRHFSA-N 0 3 401.555 1.727 50 0 HDAAHN CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCCCN3CCN(CC)CC3)C2=O)cc1 ZINC000100124011 559157305 /nfs/dbraw/zinc/15/73/05/559157305.db2.gz SBTAXOZHZVWWOS-LJQANCHMSA-N 0 3 416.522 1.112 50 0 HDAAHN COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cnnc(N(C)C)c3)CC2)c1 ZINC000206724595 560735404 /nfs/dbraw/zinc/73/54/04/560735404.db2.gz KKSJCDIVGHHGNK-UHFFFAOYSA-N 0 3 407.496 1.071 50 0 HDAAHN Cn1cnc(C(=O)N2CCC3(CC2)C[C@@H](N2CCN(c4ccccn4)CC2)CCO3)c1 ZINC000575316629 560855449 /nfs/dbraw/zinc/85/54/49/560855449.db2.gz BJJFABXJNVBBPX-IBGZPJMESA-N 0 3 424.549 1.791 50 0 HDAAHN CCn1c2ccccc2nc(SCC(=O)NCCCN2CCN(C)CC2)c1=O ZINC000033259813 568512818 /nfs/dbraw/zinc/51/28/18/568512818.db2.gz YQCMMVYFZAMUKK-UHFFFAOYSA-N 0 3 403.552 1.262 50 0 HDAAHN CN1CCN(CCCNC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)CC1 ZINC000020414917 568605950 /nfs/dbraw/zinc/60/59/50/568605950.db2.gz LUCATTWQBQAFBM-KRWDZBQOSA-N 0 3 417.583 1.299 50 0 HDAAHN CCN1CCN(CCNC(=O)c2ccc(CN3CCCn4nc(C)cc43)cc2)CC1 ZINC000020995955 568656930 /nfs/dbraw/zinc/65/69/30/568656930.db2.gz IMJLNTFDUPMZEU-UHFFFAOYSA-N 0 3 410.566 1.969 50 0 HDAAHN Cc1ccccc1[C@]1(CC(=O)N2CCN(C)[C@@H](C)C2)CC(=O)N(CCN(C)C)C1=O ZINC000299758752 568873170 /nfs/dbraw/zinc/87/31/70/568873170.db2.gz OYBPZDYXTUJALO-MBSDFSHPSA-N 0 3 414.550 1.106 50 0 HDAAHN Cc1nc(C)c(C(=O)NC[C@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)s1 ZINC000299795095 568876261 /nfs/dbraw/zinc/87/62/61/568876261.db2.gz KTGONXWMJBDKOC-KRWDZBQOSA-N 0 3 406.552 1.734 50 0 HDAAHN CN(CCNC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O)Cc1ccccc1 ZINC000004110434 568943979 /nfs/dbraw/zinc/94/39/79/568943979.db2.gz ROFRSULLXRWSMK-UHFFFAOYSA-N 0 3 420.513 1.756 50 0 HDAAHN CN(C)[C@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1cccc(F)c1 ZINC000012813526 568987388 /nfs/dbraw/zinc/98/73/88/568987388.db2.gz WLDAWGITMSVLKK-GOSISDBHSA-N 0 3 408.499 1.956 50 0 HDAAHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000008314164 568989637 /nfs/dbraw/zinc/98/96/37/568989637.db2.gz GDBZCHRDJGMRAM-UHFFFAOYSA-N 0 3 407.458 1.784 50 0 HDAAHN COc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)NCCN(C)C)C3)no2)cc1 ZINC000035989306 569074406 /nfs/dbraw/zinc/07/44/06/569074406.db2.gz HNNAIHIGBQBTFA-MRXNPFEDSA-N 0 3 400.479 1.880 50 0 HDAAHN COCCN(CCC(=O)NCCN(C)C)C(=O)c1cc(-c2cccc(OC)c2)on1 ZINC000036002456 569075261 /nfs/dbraw/zinc/07/52/61/569075261.db2.gz XSLLTXFRXWCNLM-UHFFFAOYSA-N 0 3 418.494 1.507 50 0 HDAAHN Cc1ccc(Cn2c(=O)c(C(=O)NCCN(C)C)nn(-c3ccc(C)cc3)c2=O)cc1 ZINC000036086629 569088157 /nfs/dbraw/zinc/08/81/57/569088157.db2.gz UNKUGCPXXZABFN-UHFFFAOYSA-N 0 3 421.501 1.351 50 0 HDAAHN Cc1noc(C)c1S(=O)(=O)N1CCC([C@@H](C)C(=O)NCCN2CCCC2)CC1 ZINC000065061523 569165837 /nfs/dbraw/zinc/16/58/37/569165837.db2.gz SVXTYNLRXUQBRQ-CQSZACIVSA-N 0 3 412.556 1.540 50 0 HDAAHN C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C1CC1 ZINC000170599438 569242718 /nfs/dbraw/zinc/24/27/18/569242718.db2.gz JPLUKDLANUMZGK-HXUWFJFHSA-N 0 3 406.486 1.717 50 0 HDAAHN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C1CC1 ZINC000170599438 569242719 /nfs/dbraw/zinc/24/27/19/569242719.db2.gz JPLUKDLANUMZGK-HXUWFJFHSA-N 0 3 406.486 1.717 50 0 HDAAHN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NC[C@@H]2CCCN2CC(C)C)c1 ZINC000089840190 569266913 /nfs/dbraw/zinc/26/69/13/569266913.db2.gz ONAJOEXATCSVEG-INIZCTEOSA-N 0 3 412.508 1.659 50 0 HDAAHN COc1ccccc1C(=O)Nc1cc2c(cc1N1CCNC[C@H]1C)n(C)c(=O)n2C ZINC000575623806 569285479 /nfs/dbraw/zinc/28/54/79/569285479.db2.gz FQWDVNSBYDXPIO-CQSZACIVSA-N 0 3 409.490 1.936 50 0 in-vitro HDAAHN CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000067287718 571065603 /nfs/dbraw/zinc/06/56/03/571065603.db2.gz NDHXXHHFCLBJHO-FQEVSTJZSA-N 0 3 416.522 1.894 50 0 HDAAHN Cc1nn(C)c(C)c1CCC(=O)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670473467 571101978 /nfs/dbraw/zinc/10/19/78/571101978.db2.gz ZVZVLQUUBYODFJ-JWLIYLPMSA-N 0 3 407.562 1.653 50 0 HDAAHN CN1CCN(CCCNC(=O)c2cnc3sccn3c2=O)[C@H](c2ccccc2)C1 ZINC000040081479 571156050 /nfs/dbraw/zinc/15/60/50/571156050.db2.gz SALNJIQNGNKVOY-SFHVURJKSA-N 0 3 411.531 1.865 50 0 HDAAHN O=C(CNC(=O)c1cnc2ccccc2c1O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000040105406 571166199 /nfs/dbraw/zinc/16/61/99/571166199.db2.gz PDYWGCQCHXYFEE-KRWDZBQOSA-N 0 3 404.470 1.649 50 0 HDAAHN O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000009385571 571254052 /nfs/dbraw/zinc/25/40/52/571254052.db2.gz FQSMHTCTNCFRCE-FQEVSTJZSA-N 0 3 420.513 1.934 50 0 HDAAHN O=C(NCCN1CCCC1)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000006936201 132321082 /nfs/dbraw/zinc/32/10/82/132321082.db2.gz YOXODHVWUKLNEI-QGZVFWFLSA-N 0 3 411.554 1.981 50 0 HDAAHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1ccc(C)cc1 ZINC000009419402 132339497 /nfs/dbraw/zinc/33/94/97/132339497.db2.gz QKHUJAWVAXBQMN-WOJBJXKFSA-N 0 3 421.501 1.918 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 ZINC000004553069 557566334 /nfs/dbraw/zinc/56/63/34/557566334.db2.gz MGVUFWGLNJOQSF-QGZVFWFLSA-N 0 3 418.925 1.778 50 0 HDAAHN COC(=O)c1ccc(NC(=O)CN2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 ZINC000004741256 557590685 /nfs/dbraw/zinc/59/06/85/557590685.db2.gz YFQWVOSAJZUHSB-UHFFFAOYSA-N 0 3 402.495 1.218 50 0 HDAAHN COc1cc(CNCCCN2CCOCC2)cc(Br)c1OCC(N)=O ZINC000005245922 557641338 /nfs/dbraw/zinc/64/13/38/557641338.db2.gz JSROJUULGDBVRL-UHFFFAOYSA-N 0 3 416.316 1.134 50 0 HDAAHN Cn1c2nc3n(c2c(=O)n(CCN2CCCCC2)c1=O)CCCN3Cc1ccco1 ZINC000010105097 557854954 /nfs/dbraw/zinc/85/49/54/557854954.db2.gz RRNDUVYBZIDIEF-UHFFFAOYSA-N 0 3 412.494 1.386 50 0 HDAAHN O=C(NC[C@@H]1CCC2(CCN(Cc3cccc(OCCO)c3)CC2)O1)[C@@H]1CCCO1 ZINC000012182968 558343540 /nfs/dbraw/zinc/34/35/40/558343540.db2.gz LVPWTIMEPDYLOD-SFTDATJTSA-N 0 3 418.534 1.867 50 0 HDAAHN CN(CCN1CCOCC1)Cc1ccccc1OC[C@@H](O)CN1CCSCC1 ZINC000020406386 558360228 /nfs/dbraw/zinc/36/02/28/558360228.db2.gz VWOLCJHMZQKSQC-FQEVSTJZSA-N 0 3 409.596 1.239 50 0 HDAAHN COCCN1C(=O)N(CC(=O)OC)C(=O)C12CCN(C/C(C)=C/c1ccco1)CC2 ZINC000014540892 558659872 /nfs/dbraw/zinc/65/98/72/558659872.db2.gz BOETYXGDULBZMW-DTQAZKPQSA-N 0 3 419.478 1.601 50 0 HDAAHN Cc1c(CN2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)cnn1C ZINC000014732423 558665955 /nfs/dbraw/zinc/66/59/55/558665955.db2.gz CPEOOFHUCWVBAH-UHFFFAOYSA-N 0 3 410.522 1.985 50 0 HDAAHN CCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CCN2CCCCC2)cc1 ZINC000035422055 558791875 /nfs/dbraw/zinc/79/18/75/558791875.db2.gz XTYIFPNBDYCYRB-UHFFFAOYSA-N 0 3 416.566 1.835 50 0 HDAAHN CCOc1cccc(N2C(=O)C[C@H](NCCc3ccc(S(N)(=O)=O)cc3)C2=O)c1 ZINC000018143635 558832135 /nfs/dbraw/zinc/83/21/35/558832135.db2.gz IQSKZGFWDYJBGE-SFHVURJKSA-N 0 3 417.487 1.197 50 0 HDAAHN Cc1ccc(N2C(=O)C[C@@H](NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1Cl ZINC000018250387 558834755 /nfs/dbraw/zinc/83/47/55/558834755.db2.gz XXTCHQYCFPCHIN-QGZVFWFLSA-N 0 3 421.906 1.760 50 0 HDAAHN Cc1nc(NCCNS(=O)(=O)c2ccc(Cl)cc2)cc(N2CCOCC2)n1 ZINC000065362962 558973903 /nfs/dbraw/zinc/97/39/03/558973903.db2.gz NFQBUCSLBRKBIV-UHFFFAOYSA-N 0 3 411.915 1.665 50 0 HDAAHN CN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)CC1 ZINC000065364704 558975814 /nfs/dbraw/zinc/97/58/14/558975814.db2.gz LIWDBDJKIWNBHA-LJQANCHMSA-N 0 3 407.580 1.871 50 0 HDAAHN CCN1CCN(CCCN2CC3(CCN(Cc4cc(C)no4)CC3)OC2=O)CC1 ZINC000072408388 558977460 /nfs/dbraw/zinc/97/74/60/558977460.db2.gz ZWNSUAPBCCUMBS-UHFFFAOYSA-N 0 3 405.543 1.797 50 0 HDAAHN CC(C)N1CCN(CCN2CC3(CCN(Cc4nccn4C)CC3)OC2=O)CC1 ZINC000072469369 558983287 /nfs/dbraw/zinc/98/32/87/558983287.db2.gz OPMCHJQEAFQXKV-UHFFFAOYSA-N 0 3 404.559 1.233 50 0 HDAAHN NC1(C(=O)Nc2ccc(F)c(N3CCS(=O)(=O)CC3)c2)Cc2ccccc2C1 ZINC000097019869 558988120 /nfs/dbraw/zinc/98/81/20/558988120.db2.gz KRUMNEUVWDFXAU-UHFFFAOYSA-N 0 3 403.479 1.495 50 0 HDAAHN CC(C)(N)C(=O)N1CCC(n2nccc2NS(=O)(=O)Cc2ccccc2)CC1 ZINC000067654327 558990770 /nfs/dbraw/zinc/99/07/70/558990770.db2.gz JWEBRCKPONLLSK-UHFFFAOYSA-N 0 3 405.524 1.726 50 0 HDAAHN CC(C)N1CCN(CCCN2CC3(CCN(c4ncccn4)CC3)OC2=O)CC1 ZINC000077439365 559005406 /nfs/dbraw/zinc/00/54/06/559005406.db2.gz ZOVZZYBYYOSSCB-UHFFFAOYSA-N 0 3 402.543 1.684 50 0 HDAAHN Cc1cn2cc(CNC(=O)c3ccc(CN4CCCN(C)CC4)[nH]c3=O)nc2s1 ZINC000077455611 559005781 /nfs/dbraw/zinc/00/57/81/559005781.db2.gz FLERYUOQMYXQOL-UHFFFAOYSA-N 0 3 414.535 1.460 50 0 HDAAHN O=C1C2(c3ccccc3)CN(CCCO)CC1(c1ccccc1)CN(CCCO)C2 ZINC000091328702 559071064 /nfs/dbraw/zinc/07/10/64/559071064.db2.gz KTOWHSBTEFFPRK-UHFFFAOYSA-N 0 3 408.542 1.828 50 0 HDAAHN COc1ccc([C@@H](O)C(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cc1 ZINC000095357539 559079866 /nfs/dbraw/zinc/07/98/66/559079866.db2.gz KSEXNQRFRMXZEB-HXUWFJFHSA-N 0 3 403.523 1.521 50 0 HDAAHN CN(C)CC(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000095527487 559086356 /nfs/dbraw/zinc/08/63/56/559086356.db2.gz KJXSJVWMRNOHCU-NRFANRHFSA-N 0 3 400.567 1.958 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 ZINC000100093391 559129814 /nfs/dbraw/zinc/12/98/14/559129814.db2.gz ARJAEZNDZNXWTM-KRWDZBQOSA-N 0 3 402.470 1.263 50 0 HDAAHN CCN(CC)[C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@@H](N(CC)CC)C3=O)cc2)C1=O ZINC000101596751 559147391 /nfs/dbraw/zinc/14/73/91/559147391.db2.gz DCSAANTUNCFNMM-QZTJIDSGSA-N 0 3 414.506 1.634 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2=O)CC1 ZINC000101715980 559147833 /nfs/dbraw/zinc/14/78/33/559147833.db2.gz DRZLHMKYKHGEMZ-SFHVURJKSA-N 0 3 416.497 1.259 50 0 HDAAHN COc1cccc(C2=NO[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@@H]3C(=O)N(CCN(C)C)C(=O)[C@@H]23)c1OC ZINC000248010192 559259222 /nfs/dbraw/zinc/25/92/22/559259222.db2.gz PDGGZHFADDVANG-NZFLSMEMSA-N 0 3 413.474 1.235 50 0 HDAAHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C ZINC000011998471 559270433 /nfs/dbraw/zinc/27/04/33/559270433.db2.gz UVCKXOZWTZBBGO-CQSZACIVSA-N 0 3 417.553 1.070 50 0 HDAAHN Cc1cccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(C(C)(C)C(=O)NCCN(C)C)C3)c1 ZINC000085413594 560772044 /nfs/dbraw/zinc/77/20/44/560772044.db2.gz GBESRDOMCAJYDI-SFHVURJKSA-N 0 3 413.522 1.244 50 0 HDAAHN Cc1ccc(S(=O)(=O)NCCCN2CCC(C(N)=O)CC2)c(Br)c1 ZINC000048311860 568436990 /nfs/dbraw/zinc/43/69/90/568436990.db2.gz GZQTXBVCSCAXDE-UHFFFAOYSA-N 0 3 418.357 1.623 50 0 HDAAHN O=C(NCCN1CCCCC1)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000033315143 568513707 /nfs/dbraw/zinc/51/37/07/568513707.db2.gz OTBYAMSBUWKVMD-HNNXBMFYSA-N 0 3 406.556 1.483 50 0 HDAAHN CCCN1CCN(CCCNC(=O)COc2cc(=O)n(C)c3ccccc23)CC1 ZINC000020280249 568596640 /nfs/dbraw/zinc/59/66/40/568596640.db2.gz TUDLICIPZZDYIF-UHFFFAOYSA-N 0 3 400.523 1.451 50 0 HDAAHN CCN(CC)CCNC(=O)C(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(CC)CC1 ZINC000020287887 568597466 /nfs/dbraw/zinc/59/74/66/568597466.db2.gz OAHJPOATIDDZAC-IEBWSBKVSA-N 0 3 423.627 1.389 50 0 HDAAHN CC[C@@H]1CCCCN1Cc1ccc(CN2CNc3c(c(=O)n(C)c(=O)n3C)C2)o1 ZINC000020320248 568598718 /nfs/dbraw/zinc/59/87/18/568598718.db2.gz AIFWKKCDAPVQNN-OAHLLOKOSA-N 0 3 401.511 1.827 50 0 HDAAHN Cn1c(CN2CCCCCC2)cc(=O)c(O)c1CN1CCN(c2ncccn2)CC1 ZINC000095475962 568630344 /nfs/dbraw/zinc/63/03/44/568630344.db2.gz MWRAWNOEIAUWOT-UHFFFAOYSA-N 0 3 412.538 1.579 50 0 HDAAHN CCCN1CCN(CCCNC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)CC1 ZINC000020723479 568640598 /nfs/dbraw/zinc/64/05/98/568640598.db2.gz QNPBWGUNAAEUCZ-UHFFFAOYSA-N 0 3 411.550 1.753 50 0 HDAAHN CN1CCN(CCCNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)CC1 ZINC000021019286 568658013 /nfs/dbraw/zinc/65/80/13/568658013.db2.gz NYZLBBSEDRXOSG-UHFFFAOYSA-N 0 3 404.536 1.597 50 0 HDAAHN COc1cccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1 ZINC000021795231 568753737 /nfs/dbraw/zinc/75/37/37/568753737.db2.gz UEMQKWMFHAEHCG-UHFFFAOYSA-N 0 3 412.494 1.984 50 0 HDAAHN CCN1CCN(CCCNC(=O)c2ccc3c(c2)N(C)C(=O)[C@@H]2CCCCN32)CC1 ZINC000021938623 568762870 /nfs/dbraw/zinc/76/28/70/568762870.db2.gz QIZMWIHEUCNAEY-FQEVSTJZSA-N 0 3 413.566 1.779 50 0 HDAAHN O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCN2CCOCC2)CC1 ZINC000299774499 568874608 /nfs/dbraw/zinc/87/46/08/568874608.db2.gz JQFWYAUWGRMQBC-NRFANRHFSA-N 0 3 421.513 1.229 50 0 HDAAHN COCCN(CCN(C)C)C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000083851022 568919710 /nfs/dbraw/zinc/91/97/10/568919710.db2.gz BNMCANFZKYVZHA-UHFFFAOYSA-N 0 3 411.568 1.270 50 0 HDAAHN Cn1nc(C(F)F)cc1C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670453457 568928980 /nfs/dbraw/zinc/92/89/80/568928980.db2.gz ONIIYPSTXOAUGB-TUVDCLKLSA-N 0 3 401.461 1.655 50 0 HDAAHN CSCC[C@H](N)C(=O)N1CCC(C(=O)N[C@H](C)C(=O)Nc2ccc(F)cc2)CC1 ZINC000004081220 568939038 /nfs/dbraw/zinc/93/90/38/568939038.db2.gz RZLDOOBWGPLSOX-DYVFJYSZSA-N 0 3 424.542 1.588 50 0 biogenic HDAAHN COc1ccc([C@@H](CNC(=O)Cn2cnc3c(cnn3C)c2=O)N2CCCC2)cc1 ZINC000012935306 569026553 /nfs/dbraw/zinc/02/65/53/569026553.db2.gz MURKHYKYOVCDOK-GOSISDBHSA-N 0 3 410.478 1.092 50 0 HDAAHN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000575608327 569032202 /nfs/dbraw/zinc/03/22/02/569032202.db2.gz SAZAMPDDWPZCIK-QGZVFWFLSA-N 0 3 421.519 1.119 50 0 HDAAHN C[C@H]1CCCN(c2nn3c(nc(=O)cc3C(=O)NCCCN3CCCCC3)s2)C1 ZINC000035377861 569034469 /nfs/dbraw/zinc/03/44/69/569034469.db2.gz FHMJTWXZALRAJJ-HNNXBMFYSA-N 0 3 418.567 1.993 50 0 HDAAHN O=C(NCCCN1CCOCC1)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065255908 569208102 /nfs/dbraw/zinc/20/81/02/569208102.db2.gz VLILMBNFPWCJQY-OAQYLSRUSA-N 0 3 409.534 1.685 50 0 HDAAHN COc1ccc(NC(=O)NC(C)(C)CCN2CCN(C)CC2)cc1-n1nnnc1C ZINC000170598138 569242426 /nfs/dbraw/zinc/24/24/26/569242426.db2.gz DNNDWZPDUMPJFH-UHFFFAOYSA-N 0 3 416.530 1.517 50 0 HDAAHN CCN(C(=O)CN1C[C@@H](C)C[C@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013057135 569408252 /nfs/dbraw/zinc/40/82/52/569408252.db2.gz ISEFWOKZPQQBFR-HOTGVXAUSA-N 0 3 413.522 1.498 50 0 HDAAHN O=C(CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O)NCCc1ccccc1 ZINC000008769226 571116358 /nfs/dbraw/zinc/11/63/58/571116358.db2.gz MQSUZLUTOOPNMF-UHFFFAOYSA-N 0 3 420.513 1.932 50 0 HDAAHN Cc1c(C)n2c(nc3c2c(=O)n(C)c(=O)n3C)n1CCCN1CCc2ccccc2C1 ZINC000008991217 571207020 /nfs/dbraw/zinc/20/70/20/571207020.db2.gz OBGLVVGOCKCLRQ-UHFFFAOYSA-N 0 3 420.517 1.752 50 0 HDAAHN CN(C)[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1cn(C)c2ccccc12 ZINC000077171667 571311793 /nfs/dbraw/zinc/31/17/93/571311793.db2.gz BYVUBOAFOTWJDB-LJQANCHMSA-N 0 3 406.552 1.569 50 0 HDAAHN OCCOc1ccccc1CN1CC[C@@H](N2CCN(c3ccccn3)CC2)[C@H](O)C1 ZINC000012570320 1075266539 /nfs/dbraw/zinc/26/65/39/1075266539.db2.gz DHSMMFJNKUYUIZ-NHCUHLMSSA-N 0 3 412.534 1.210 50 0 HDAAHN O=C(NCCN1CCOCC1)c1ccc(N2CCC(NCc3ccccn3)CC2)cc1 ZINC000012242932 132357694 /nfs/dbraw/zinc/35/76/94/132357694.db2.gz KAEUEARLDPECBL-UHFFFAOYSA-N 0 3 423.561 1.902 50 0 HDAAHN CCN(CC)CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000045944183 520643616 /nfs/dbraw/zinc/64/36/16/520643616.db2.gz SHOAHVMCUUCZAB-UHFFFAOYSA-N 0 3 424.611 1.458 50 0 HDAAHN CCc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CCN(CC)CC)cc1 ZINC000045944190 524010826 /nfs/dbraw/zinc/01/08/26/524010826.db2.gz URDRGOSQEQINDX-UHFFFAOYSA-N 0 3 424.611 1.403 50 0 HDAAHN COc1cccc(CNCCCn2ccnc2)c1OC[C@H](O)CN1CCOCC1 ZINC000023338735 558550206 /nfs/dbraw/zinc/55/02/06/558550206.db2.gz HMBOYYOGFHMAEZ-LJQANCHMSA-N 0 3 404.511 1.144 50 0 HDAAHN CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](NCc1ccccc1OC)C2 ZINC000014539298 558659185 /nfs/dbraw/zinc/65/91/85/558659185.db2.gz JBPPNQFIJJLEKD-GOSISDBHSA-N 0 3 411.550 1.946 50 0 HDAAHN COC[C@H](C)N1CCC2(CC1)C(=O)N(CC(=O)OC)C(=O)N2CCc1ccccc1 ZINC000014732433 558665949 /nfs/dbraw/zinc/66/59/49/558665949.db2.gz SDLPANTWTDUFAH-KRWDZBQOSA-N 0 3 417.506 1.536 50 0 HDAAHN Cc1cc2n(n1)CCC(=O)N2CC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000022937201 558723890 /nfs/dbraw/zinc/72/38/90/558723890.db2.gz IBTZSTDEHOTWIM-UHFFFAOYSA-N 0 3 424.549 1.252 50 0 HDAAHN CCN1CCN(CCNC(=O)C2CCN(c3nc4cccnc4s3)CC2)CC1 ZINC000022937549 558725528 /nfs/dbraw/zinc/72/55/28/558725528.db2.gz QRHGGLFFJOBMRW-UHFFFAOYSA-N 0 3 402.568 1.661 50 0 HDAAHN COCC1CCN(Cc2cccc(OC)c2OC[C@H](O)CN2CCOCC2)CC1 ZINC000039405472 558820860 /nfs/dbraw/zinc/82/08/60/558820860.db2.gz VGPRNHXVXZDKGH-HXUWFJFHSA-N 0 3 408.539 1.626 50 0 HDAAHN CCc1ccc(CNC(=O)c2ccc(N3CCNCC3)c(NS(C)(=O)=O)c2)cc1 ZINC000033034417 558858500 /nfs/dbraw/zinc/85/85/00/558858500.db2.gz MUBKMFAVCNOWDJ-UHFFFAOYSA-N 0 3 416.547 1.960 50 0 HDAAHN CN1CCCN(c2ccc(CNC(=O)CCc3nc(-c4ccncc4)no3)cn2)CC1 ZINC000058157965 558903447 /nfs/dbraw/zinc/90/34/47/558903447.db2.gz KOWAXXAAYCHEEM-UHFFFAOYSA-N 0 3 421.505 1.918 50 0 HDAAHN O=C(c1nc2ccccn2c1CN1CC[C@@H](O)C1)N1CCN(C2CCCCC2)CC1 ZINC000071682114 558906645 /nfs/dbraw/zinc/90/66/45/558906645.db2.gz DDQJERQYFPMRBE-LJQANCHMSA-N 0 3 411.550 1.991 50 0 HDAAHN COc1ccc(CN2CCC(C(=O)NCCCN3CCOCC3)CC2)c(OC)c1 ZINC000004700163 558907769 /nfs/dbraw/zinc/90/77/69/558907769.db2.gz KHKIFGBSGVAEJO-UHFFFAOYSA-N 0 3 405.539 1.754 50 0 HDAAHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000058291680 558916916 /nfs/dbraw/zinc/91/69/16/558916916.db2.gz AONGTFDEHYKMTP-UHFFFAOYSA-N 0 3 407.511 1.864 50 0 HDAAHN CCN(CC)CCNS(=O)(=O)c1cc(-c2n[nH]cc2C(=O)N2CCCC2)oc1C ZINC000097097436 558992322 /nfs/dbraw/zinc/99/23/22/558992322.db2.gz GVZWNPZAADWPBP-UHFFFAOYSA-N 0 3 423.539 1.834 50 0 HDAAHN CC1(C)CC(NS(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)CC(C)(C)[NH2+]1 ZINC000067867608 558994062 /nfs/dbraw/zinc/99/40/62/558994062.db2.gz PLTUHGAMPNXIJL-UHFFFAOYSA-N 0 3 401.554 1.680 50 0 HDAAHN Cc1cc(N2CCC3(CN(CCCN4CCN(C(C)C)CC4)C(=O)O3)CC2)ncn1 ZINC000077354721 559002266 /nfs/dbraw/zinc/00/22/66/559002266.db2.gz YFZWCGPGQBWAEN-UHFFFAOYSA-N 0 3 416.570 1.992 50 0 HDAAHN COCCN(C)CCN1CC2(CCN(C(=O)c3cnn4c3CCCC4)CC2)OC1=O ZINC000077377753 559002676 /nfs/dbraw/zinc/00/26/76/559002676.db2.gz ORDIDIILEQPNQG-UHFFFAOYSA-N 0 3 419.526 1.225 50 0 HDAAHN Cc1ccc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CCN5CCCCC5)C(=O)[C@@H]24)O3)o1 ZINC000077405993 559003835 /nfs/dbraw/zinc/00/38/35/559003835.db2.gz MHYVVOYREOYGKL-GJPOJAMWSA-N 0 3 413.518 1.814 50 0 HDAAHN CN(CCCNC(=O)CCn1c2ccccc2n(C)c(=O)c1=O)Cc1ccccc1 ZINC000033272382 559033657 /nfs/dbraw/zinc/03/36/57/559033657.db2.gz DHVVFNQRKKUZBM-UHFFFAOYSA-N 0 3 408.502 1.729 50 0 HDAAHN COc1ccc(CN(C)Cc2ccco2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000095511373 559084062 /nfs/dbraw/zinc/08/40/62/559084062.db2.gz PUSHVXZXOUGPRR-LJQANCHMSA-N 0 3 403.523 1.907 50 0 HDAAHN COc1ccc(CN(C)Cc2ccoc2)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000095516813 559084607 /nfs/dbraw/zinc/08/46/07/559084607.db2.gz ZUZJTPHTQDZNMF-FQEVSTJZSA-N 0 3 403.523 1.907 50 0 HDAAHN CN(C(=O)CC[C@@H]1CCCN(C(=O)CCc2ccnn2C)C1)C1CCN(C)CC1 ZINC000095526869 559086184 /nfs/dbraw/zinc/08/61/84/559086184.db2.gz JZDFSVSZDPEPRP-SFHVURJKSA-N 0 3 403.571 1.924 50 0 HDAAHN Cn1c2nc3n(c2c(=O)n(C)c1=O)CCN3c1ccc(OCCN2CCCCC2)cc1 ZINC000011692421 559186433 /nfs/dbraw/zinc/18/64/33/559186433.db2.gz YOQUQVGSPGULSF-UHFFFAOYSA-N 0 3 424.505 1.450 50 0 HDAAHN Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)NCCN4CCCCCC4)C3)sc2n1 ZINC000005149138 559253185 /nfs/dbraw/zinc/25/31/85/559253185.db2.gz VOGBCOZHVLCTLO-INIZCTEOSA-N 0 3 418.567 1.668 50 0 HDAAHN Cn1cc(C(=O)N2CCC3(CC2)C[C@H](N2CCN(c4ccccn4)CC2)CCO3)cn1 ZINC000575317174 560855603 /nfs/dbraw/zinc/85/56/03/560855603.db2.gz UPNQUIOTVLBDQA-HXUWFJFHSA-N 0 3 424.549 1.791 50 0 HDAAHN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NCCN(C)C)CC2)c1C ZINC000046046153 568425309 /nfs/dbraw/zinc/42/53/09/568425309.db2.gz PXTITGXZYRFECS-UHFFFAOYSA-N 0 3 420.554 1.657 50 0 HDAAHN CN(C)C[C@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)[C@H](O)c1ccccc1 ZINC000048081003 568432094 /nfs/dbraw/zinc/43/20/94/568432094.db2.gz NDGSBEUPJQPSIZ-GHTZIAJQSA-N 0 3 413.522 1.951 50 0 HDAAHN CCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)CC1 ZINC000005147930 568454451 /nfs/dbraw/zinc/45/44/51/568454451.db2.gz OKCMXPNXJCHBFY-UHFFFAOYSA-N 0 3 410.522 1.588 50 0 HDAAHN CCCN1CCN(CCCNC(=O)CCCN2C(=O)CSc3ncccc32)CC1 ZINC000020415197 568605941 /nfs/dbraw/zinc/60/59/41/568605941.db2.gz BCYVKZIEHSBBNB-UHFFFAOYSA-N 0 3 419.595 1.834 50 0 HDAAHN Cc1noc2ncn(CC(=O)NCC3CCN(Cc4ccccc4F)CC3)c(=O)c12 ZINC000020941857 568652890 /nfs/dbraw/zinc/65/28/90/568652890.db2.gz HRWJCBYYKDDPDF-UHFFFAOYSA-N 0 3 413.453 1.860 50 0 HDAAHN CN1CCN(CCCSc2nnc(N3CCOCC3)n2-c2cccc(F)c2)CC1 ZINC000096003431 568681859 /nfs/dbraw/zinc/68/18/59/568681859.db2.gz IFFJGHXXMPCTEE-UHFFFAOYSA-N 0 3 420.558 1.973 50 0 HDAAHN CCN1CCN(c2nc(N3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)CC1 ZINC000021930057 568761631 /nfs/dbraw/zinc/76/16/31/568761631.db2.gz ODUWPVFEBIBKLA-UHFFFAOYSA-N 0 3 420.565 1.827 50 0 HDAAHN CCN1C(=O)N(CC)C(=O)C2(Cc3c(Cl)cccc3N3CCN(C)C[C@@H]32)C1=O ZINC000057122053 568824384 /nfs/dbraw/zinc/82/43/84/568824384.db2.gz BSZFPVILXMNRLO-MRXNPFEDSA-N 0 3 404.898 1.834 50 0 HDAAHN NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21 ZINC000002967992 568831107 /nfs/dbraw/zinc/83/11/07/568831107.db2.gz RZVCDGRVHQHPMI-HNNXBMFYSA-N 0 3 413.503 1.703 50 0 HDAAHN C[C@@H](NC[C@@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000003211790 568846710 /nfs/dbraw/zinc/84/67/10/568846710.db2.gz DGUBEVHBQSTJMV-IEBWSBKVSA-N 0 3 420.531 1.798 50 0 HDAAHN CC(C)c1cc(C(=O)NC[C@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)no1 ZINC000299799059 568876526 /nfs/dbraw/zinc/87/65/26/568876526.db2.gz XAXZUJBRDVJJAY-KRWDZBQOSA-N 0 3 404.511 1.772 50 0 HDAAHN CCN(C(=O)CN(C)C1CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003342445 568884016 /nfs/dbraw/zinc/88/40/16/568884016.db2.gz RXNMOPDSQDILJY-UHFFFAOYSA-N 0 3 413.522 1.785 50 0 HDAAHN COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)N(C)C)cc1 ZINC000003419811 568899729 /nfs/dbraw/zinc/89/97/29/568899729.db2.gz QAODNASOOKMGMA-LJQANCHMSA-N 0 3 405.520 1.978 50 0 HDAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1scc2c1OCCO2 ZINC000670448939 568921835 /nfs/dbraw/zinc/92/18/35/568921835.db2.gz LKEDVPOREJCFRQ-YOMPXFNTSA-N 0 3 411.527 1.817 50 0 HDAAHN Cc1cc(C)n(CCCC(=O)N[C@@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)n1 ZINC000670451861 568926691 /nfs/dbraw/zinc/92/66/91/568926691.db2.gz WNSGSOLQTKFRES-SDPJGKNGSA-N 0 3 407.562 1.964 50 0 HDAAHN COc1ccc(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)c(OC)n1 ZINC000670457995 568943208 /nfs/dbraw/zinc/94/32/08/568943208.db2.gz KFBRSMDGIIQPAJ-UKAYHFCDSA-N 0 3 408.502 1.396 50 0 HDAAHN CCN1CCC[C@H]1CN(CC(=O)N1CCNCC1)C(=O)c1cccc(NC(C)=O)c1 ZINC000015864141 569016318 /nfs/dbraw/zinc/01/63/18/569016318.db2.gz QSCLQECXDRSLLH-FQEVSTJZSA-N 0 3 415.538 1.003 50 0 HDAAHN Cc1cccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CCN2CCCCC2)c1 ZINC000035401499 569035362 /nfs/dbraw/zinc/03/53/62/569035362.db2.gz KOBCLOZHJVKBAB-UHFFFAOYSA-N 0 3 422.595 1.294 50 0 HDAAHN CCc1ccc(CN2CCc3c(C(=O)NC[C@@H]4CNCCO4)csc3C2)nc1 ZINC000426445191 569073113 /nfs/dbraw/zinc/07/31/13/569073113.db2.gz YSQLOLCFCBSMMR-KRWDZBQOSA-N 0 3 400.548 1.982 50 0 HDAAHN CCN1CCN(CCCNC(=O)Cn2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000064775907 569093772 /nfs/dbraw/zinc/09/37/72/569093772.db2.gz PJVMEKSDLFNFNY-UHFFFAOYSA-N 0 3 410.522 1.032 50 0 HDAAHN CN(C)Cc1ccc(CNC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000006983884 569195758 /nfs/dbraw/zinc/19/57/58/569195758.db2.gz CDVVROLJZAKWFG-UHFFFAOYSA-N 0 3 408.502 1.921 50 0 HDAAHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000065591186 569236675 /nfs/dbraw/zinc/23/66/75/569236675.db2.gz JWDRMFIGJWVHJD-LLVKDONJSA-N 0 3 411.421 1.710 50 0 HDAAHN CN(C)CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc21 ZINC000000796304 569282301 /nfs/dbraw/zinc/28/23/01/569282301.db2.gz GABSCZFWNGPNJF-UHFFFAOYSA-N 0 3 407.474 1.576 50 0 HDAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)c4cn(C)cn4)CC3)C2)CC1 ZINC000581819788 569320687 /nfs/dbraw/zinc/32/06/87/569320687.db2.gz KXUFKDGGHDTLFQ-IBGZPJMESA-N 0 3 403.571 1.848 50 0 HDAAHN CCOCC(=O)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581820105 569320898 /nfs/dbraw/zinc/32/08/98/569320898.db2.gz REUKZFSMQOCLKO-LJQANCHMSA-N 0 3 402.539 1.780 50 0 HDAAHN O=C(CNC(=O)c1ccc2ccccc2c1)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008996751 571208811 /nfs/dbraw/zinc/20/88/11/571208811.db2.gz BPKBGGFXBLPSJF-UHFFFAOYSA-N 0 3 403.486 1.956 50 0 HDAAHN Cc1cc(C(=O)Nc2nc3ccccc3n2CCN2CCCCC2)n2ncnc2n1 ZINC000036618963 571305820 /nfs/dbraw/zinc/30/58/20/571305820.db2.gz ZOMOFBVHCRHRPF-UHFFFAOYSA-N 0 3 404.478 2.521 50 0 HDAAHN CCn1c(=O)n(CCOC)nc1C1CCN(Cc2ccc(C(=O)OC)cc2)CC1 ZINC000077153208 571311808 /nfs/dbraw/zinc/31/18/08/571311808.db2.gz YGQFJLLVOHUCDY-UHFFFAOYSA-N 0 3 402.495 1.877 50 0 HDAAHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1ccc(C)cc1 ZINC000010385750 132345912 /nfs/dbraw/zinc/34/59/12/132345912.db2.gz QKHUJAWVAXBQMN-UXHICEINSA-N 0 3 421.501 1.918 50 0 HDAAHN CN(C)CCn1nnc2c3c4c(c(N5CCOCC5)nc3sc2c1=O)CCC4 ZINC000012408894 132359596 /nfs/dbraw/zinc/35/95/96/132359596.db2.gz WBEJUSAINWXRMA-UHFFFAOYSA-N 0 3 400.508 1.288 50 0 HDAAHN CCN1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(OC)cc1 ZINC000045966811 521633081 /nfs/dbraw/zinc/63/30/81/521633081.db2.gz OWBWOUXLBDTOJZ-LJQANCHMSA-N 0 3 402.539 1.444 50 0 HDAAHN CCN1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(F)c(F)c1 ZINC000045966776 521653743 /nfs/dbraw/zinc/65/37/43/521653743.db2.gz ZANWKHRSJVFNMG-KRWDZBQOSA-N 0 3 408.493 1.713 50 0 HDAAHN Cc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)c(C)c1 ZINC000001481078 557270202 /nfs/dbraw/zinc/27/02/02/557270202.db2.gz DKAKYJMOZRSACW-IBGZPJMESA-N 0 3 412.534 1.741 50 0 HDAAHN COc1cc(CN2CCC(C(N)=O)CC2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000011951628 558303074 /nfs/dbraw/zinc/30/30/74/558303074.db2.gz LWHZROUNBNIXTM-SFHVURJKSA-N 0 3 423.579 1.181 50 0 HDAAHN COC(=O)CCC(=O)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 ZINC000012302757 558372308 /nfs/dbraw/zinc/37/23/08/558372308.db2.gz DHPYMVSUYHYTDY-UHFFFAOYSA-N 0 3 419.522 1.643 50 0 HDAAHN CCN1CCN(C2CCN(c3nc4nonc4nc3N3CCCCCC3)CC2)CC1 ZINC000020514971 558382721 /nfs/dbraw/zinc/38/27/21/558382721.db2.gz SLIQVKJUBGXHPQ-UHFFFAOYSA-N 0 3 414.558 2.000 50 0 HDAAHN COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CN(C)Cc2nonc2C)c1 ZINC000012591081 558435731 /nfs/dbraw/zinc/43/57/31/558435731.db2.gz FJEKKZKDICZFOB-GOSISDBHSA-N 0 3 420.510 1.215 50 0 HDAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)Cn1cncn1 ZINC000012594213 558436805 /nfs/dbraw/zinc/43/68/05/558436805.db2.gz ZVLACJDVNMWSNW-SFHVURJKSA-N 0 3 402.518 1.720 50 0 HDAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCn1cnnn1 ZINC000012709880 558451879 /nfs/dbraw/zinc/45/18/79/558451879.db2.gz GTWZSGLUITYHEI-IBGZPJMESA-N 0 3 400.527 1.875 50 0 HDAAHN CCn1cc(CNCc2cccc(OC[C@@H](O)CN3CCN(CC)CC3)c2)cn1 ZINC000022852426 558517295 /nfs/dbraw/zinc/51/72/95/558517295.db2.gz NEURCJMYKUUHSS-NRFANRHFSA-N 0 3 401.555 1.570 50 0 HDAAHN CC(C)CN1C[C@@H](OCc2ccccn2)CN(C(=O)C2CCN(C)CC2)CC1=O ZINC000014745582 558668889 /nfs/dbraw/zinc/66/88/89/558668889.db2.gz BTHCKUHCIKIFGZ-HXUWFJFHSA-N 0 3 402.539 1.635 50 0 HDAAHN Cc1nc(C)c(CC(=O)N2CCC([NH+]3CCC(C(=O)NC(C)C)CC3)CC2)c(=O)[n-]1 ZINC000014955769 558682556 /nfs/dbraw/zinc/68/25/56/558682556.db2.gz XGGYXCBFYDWVJW-UHFFFAOYSA-N 0 3 417.554 1.157 50 0 HDAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)C1(C(N)=O)CC1 ZINC000014973454 558688350 /nfs/dbraw/zinc/68/83/50/558688350.db2.gz HGCSWGCBJVOCAE-UHFFFAOYSA-N 0 3 403.523 1.648 50 0 HDAAHN COC(=O)C1=C(N)Oc2cc(C)n(CCN(C)C)c(=O)c2[C@H]1c1cccc(OC)c1 ZINC000004570647 558742803 /nfs/dbraw/zinc/74/28/03/558742803.db2.gz SPEJXDZJJXWQLV-QGZVFWFLSA-N 0 3 413.474 1.595 50 0 HDAAHN COC(=O)c1ccc2c(c1)-n1nnnc1C1(CCN(Cc3ccccc3)CC1)NC2=O ZINC000035615772 558794412 /nfs/dbraw/zinc/79/44/12/558794412.db2.gz RLLDONAROVQCRE-UHFFFAOYSA-N 0 3 418.457 1.684 50 0 HDAAHN CN(CCN1CCCCCC1)C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000039420493 558821100 /nfs/dbraw/zinc/82/11/00/558821100.db2.gz ZCXGXNKOTMKXCX-IBGZPJMESA-N 0 3 406.571 1.572 50 0 HDAAHN CCN1CCN(CCCNC(=O)c2cccc(NC(=O)c3nnc(C)s3)c2)CC1 ZINC000033022615 558837846 /nfs/dbraw/zinc/83/78/46/558837846.db2.gz WKCMYJBTJBQRQV-UHFFFAOYSA-N 0 3 416.551 1.856 50 0 HDAAHN Cc1c(C(=O)NCCN2CCCCC2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048304 558885189 /nfs/dbraw/zinc/88/51/89/558885189.db2.gz OFDPKYHVCCVOBX-UHFFFAOYSA-N 0 3 402.568 1.967 50 0 HDAAHN COc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCCN(C)C)CC4)nn32)cc1 ZINC000033260024 558928919 /nfs/dbraw/zinc/92/89/19/558928919.db2.gz ALHOIVTYXLUXMK-UHFFFAOYSA-N 0 3 423.521 1.694 50 0 HDAAHN CCN1CCN(CCNC(=O)CCc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033061698 558955271 /nfs/dbraw/zinc/95/52/71/558955271.db2.gz YWALSUVCYRJUMT-UHFFFAOYSA-N 0 3 416.551 1.477 50 0 HDAAHN CN1CCC(Oc2ccc(CNC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 ZINC000065362703 558973484 /nfs/dbraw/zinc/97/34/84/558973484.db2.gz CSFZOSNHJFWULD-KRWDZBQOSA-N 0 3 409.552 1.447 50 0 HDAAHN CCc1cc(CN2CCC3(CN(CCN4CCN(CC)CC4)C(=O)O3)CC2)on1 ZINC000072425405 558978969 /nfs/dbraw/zinc/97/89/69/558978969.db2.gz HSWRJULLJXETSC-UHFFFAOYSA-N 0 3 405.543 1.661 50 0 HDAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1cnc(N(C)C)nc1)C2 ZINC000095365222 559080067 /nfs/dbraw/zinc/08/00/67/559080067.db2.gz CBILMBUCAXRVPU-SJBKTWHCSA-N 0 3 403.571 1.882 50 0 HDAAHN CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000095496672 559081571 /nfs/dbraw/zinc/08/15/71/559081571.db2.gz DPMODWAXWBONKV-INIZCTEOSA-N 0 3 402.470 1.089 50 0 HDAAHN CCN1CCCC[C@H]1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC ZINC000095524400 559085756 /nfs/dbraw/zinc/08/57/56/559085756.db2.gz NVHKNGJOJKBSAA-KRWDZBQOSA-N 0 3 403.527 1.133 50 0 HDAAHN CCN1CCCC[C@H]1C(=O)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)COC ZINC000095524400 559085758 /nfs/dbraw/zinc/08/57/58/559085758.db2.gz NVHKNGJOJKBSAA-KRWDZBQOSA-N 0 3 403.527 1.133 50 0 HDAAHN Cc1cccc(Cn2c3c(nc2N2CCN(CC(C)C)CC2)n(C)c(=O)[nH]c3=O)c1 ZINC000005147909 559252754 /nfs/dbraw/zinc/25/27/54/559252754.db2.gz WNANMMIQVINQLJ-UHFFFAOYSA-N 0 3 410.522 1.558 50 0 HDAAHN C[C@H]1Sc2ccc(C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)cc2NC1=O ZINC000247963642 559257062 /nfs/dbraw/zinc/25/70/62/559257062.db2.gz FXOBBRDJNYDYRA-CJNGLKHVSA-N 0 3 404.536 1.792 50 0 HDAAHN O=C(CNC[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000003310809 560592003 /nfs/dbraw/zinc/59/20/03/560592003.db2.gz QTWCKXKUSOGVFC-IBGZPJMESA-N 0 3 417.531 1.441 50 0 HDAAHN CN(C)[C@H](CNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)c1ccccc1 ZINC000011998115 560776140 /nfs/dbraw/zinc/77/61/40/560776140.db2.gz WWOZPTWJYXQQEA-GOSISDBHSA-N 0 3 401.488 1.786 50 0 HDAAHN C[NH+]1CCN(c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)c[n-]3)cn2)CC1 ZINC000014810333 560852820 /nfs/dbraw/zinc/85/28/20/560852820.db2.gz HGINWKOBDSCJRJ-UHFFFAOYSA-N 0 3 418.523 1.198 50 0 HDAAHN CCCS(=O)(=O)N1CCC2(CC1)C[C@@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000575317025 560855417 /nfs/dbraw/zinc/85/54/17/560855417.db2.gz NYVQLERRJDIYJY-IBGZPJMESA-N 0 3 422.595 1.957 50 0 HDAAHN C[C@@H]1CCCN(CCCNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000048312231 568436251 /nfs/dbraw/zinc/43/62/51/568436251.db2.gz YAOUVJVYXGQLNS-OAHLLOKOSA-N 0 3 403.570 1.337 50 0 HDAAHN CCN1CCN(CCCNC(=O)CCCN2C(=O)CSc3ncccc32)CC1 ZINC000020415195 568605936 /nfs/dbraw/zinc/60/59/36/568605936.db2.gz DIFXLHIEPBUIJF-UHFFFAOYSA-N 0 3 405.568 1.444 50 0 HDAAHN CCCN1CCN(CCCNC(=O)Cn2c3ccccc3c3nc(=O)cc(C)n32)CC1 ZINC000020464846 568610184 /nfs/dbraw/zinc/61/01/84/568610184.db2.gz DVHHZSUPSICKOI-UHFFFAOYSA-N 0 3 424.549 1.492 50 0 HDAAHN CCN1CCC(N(CC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)C2CC2)CC1 ZINC000095446697 568612019 /nfs/dbraw/zinc/61/20/19/568612019.db2.gz NJXOUOHQCCJQMC-SFHVURJKSA-N 0 3 423.583 1.438 50 0 HDAAHN CC1=C(C(=O)Nc2ccccc2C(=O)NCCCN2CCN(C)CC2)SCCO1 ZINC000020919157 568650811 /nfs/dbraw/zinc/65/08/11/568650811.db2.gz TVDJYOWPFUOQFM-UHFFFAOYSA-N 0 3 418.563 1.987 50 0 HDAAHN CCN1CCN(CCCNC(=O)[C@@H]2CCCN(c3ncnc4onc(C)c43)C2)CC1 ZINC000020945131 568653199 /nfs/dbraw/zinc/65/31/99/568653199.db2.gz UEKZJXBKKLNIDO-QGZVFWFLSA-N 0 3 415.542 1.286 50 0 HDAAHN Cc1nn(C)c2ncc(CNC[C@H]3CN(C(=O)c4ccccc4)[C@H]4CCN3C4)cc12 ZINC000095981126 568675371 /nfs/dbraw/zinc/67/53/71/568675371.db2.gz FKWPJFJARHSLQU-PMACEKPBSA-N 0 3 404.518 1.965 50 0 HDAAHN Cc1nc(CC(=O)NC[C@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)cs1 ZINC000299756323 568872846 /nfs/dbraw/zinc/87/28/46/568872846.db2.gz GNZLPKVILDKLQB-SFHVURJKSA-N 0 3 406.552 1.355 50 0 HDAAHN CCCc1cc(C(=O)NC[C@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)n(C)n1 ZINC000299773472 568874399 /nfs/dbraw/zinc/87/43/99/568874399.db2.gz CDZCTVQCADBKQJ-IBGZPJMESA-N 0 3 417.554 1.347 50 0 HDAAHN O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCn2cccn2)CC1 ZINC000299793587 568876007 /nfs/dbraw/zinc/87/60/07/568876007.db2.gz HWJZUFFETJSZBX-HXUWFJFHSA-N 0 3 402.470 1.793 50 0 HDAAHN COc1ccc(CN2CCCN(C(C)=O)CC2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000012703960 568917512 /nfs/dbraw/zinc/91/75/12/568917512.db2.gz VAVXZHQCLVEELY-NRFANRHFSA-N 0 3 419.566 1.975 50 0 HDAAHN CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 ZINC000012775583 568954449 /nfs/dbraw/zinc/95/44/49/568954449.db2.gz FZAIJPWBSHYPRO-UHFFFAOYSA-N 0 3 409.552 1.696 50 0 HDAAHN CCCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000012787152 568960593 /nfs/dbraw/zinc/96/05/93/568960593.db2.gz FICCZXPQLWJIOQ-UHFFFAOYSA-N 0 3 413.540 1.269 50 0 HDAAHN CC(C)CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2F)CC1 ZINC000004316517 568962315 /nfs/dbraw/zinc/96/23/15/568962315.db2.gz KVCAIQPNLGNAFS-UHFFFAOYSA-N 0 3 414.485 1.389 50 0 HDAAHN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@@H](C(=O)NCCN(C)C)C2)c1C ZINC000035510149 569042015 /nfs/dbraw/zinc/04/20/15/569042015.db2.gz DODJNBDQYOXQCZ-QGZVFWFLSA-N 0 3 420.554 1.657 50 0 HDAAHN CCNc1cc(N2CCC[C@H](CCC(=O)NCCN3CCN(C)CC3)C2)ncn1 ZINC000065245128 569204835 /nfs/dbraw/zinc/20/48/35/569204835.db2.gz JHGLDSNHGGFEJG-GOSISDBHSA-N 0 3 403.575 1.269 50 0 HDAAHN O=C(NCCCN1CCOCC1)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065255907 569208049 /nfs/dbraw/zinc/20/80/49/569208049.db2.gz VLILMBNFPWCJQY-NRFANRHFSA-N 0 3 409.534 1.685 50 0 HDAAHN Cc1nc(NCCNC(=O)Nc2ccc3c(c2)OCO3)cc(N2CCOCC2)n1 ZINC000036708098 569222132 /nfs/dbraw/zinc/22/21/32/569222132.db2.gz JIDOHILFXFOOPW-UHFFFAOYSA-N 0 3 400.439 1.584 50 0 HDAAHN O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(O[C@H]4CCC[NH2+]C4)cc3)cc2c(=O)[nH]1 ZINC000253537649 569382924 /nfs/dbraw/zinc/38/29/24/569382924.db2.gz AAEZBEQEJUVXSE-AWEZNQCLSA-N 0 3 416.459 1.973 50 0 HDAAHN CCOC(=O)C1C(CN2CCN(C)CC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067285888 571064440 /nfs/dbraw/zinc/06/44/40/571064440.db2.gz JXMFDZIVRYBXDE-IBGZPJMESA-N 0 3 418.494 1.122 50 0 HDAAHN CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@@H]1c1ccccc1OC ZINC000067287610 571065537 /nfs/dbraw/zinc/06/55/37/571065537.db2.gz OUMJKOBRTSQGDE-LJQANCHMSA-N 0 3 402.495 1.504 50 0 HDAAHN CN(C)CCOc1ccccc1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000040115961 571173635 /nfs/dbraw/zinc/17/36/35/571173635.db2.gz GEEQFNLPJGTJSX-UHFFFAOYSA-N 0 3 402.495 1.612 50 0 HDAAHN CCN1CCN(CCNC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CC1 ZINC000040120974 571176862 /nfs/dbraw/zinc/17/68/62/571176862.db2.gz KBLWSLLAMNWGDS-UHFFFAOYSA-N 0 3 408.568 1.275 50 0 HDAAHN CCOC(=O)[C@@H]1CCCN(c2c(=O)c(=O)c2NCCCN2C[C@H](C)C[C@@H](C)C2)C1 ZINC000245257945 571221465 /nfs/dbraw/zinc/22/14/65/571221465.db2.gz IPPKHPDKOSWXBU-BRWVUGGUSA-N 0 3 405.539 1.842 50 0 HDAAHN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C(C)S(=O)(=O)C[C@@H]1CCCO1 ZINC000032926812 520352708 /nfs/dbraw/zinc/35/27/08/520352708.db2.gz XBMISSOIRHMKPZ-STQMWFEESA-N 0 3 418.462 1.734 50 0 HDAAHN CCN1CCN(Cc2ccc(CNC(=O)CN3C(=O)COc4ccccc43)cc2)CC1 ZINC000032932415 521688064 /nfs/dbraw/zinc/68/80/64/521688064.db2.gz UNHIZDGOWICICC-UHFFFAOYSA-N 0 3 422.529 1.866 50 0 HDAAHN COCCNC(=O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1 ZINC000003793213 557498831 /nfs/dbraw/zinc/49/88/31/557498831.db2.gz RVMBDLSFFNKKLG-SFHVURJKSA-N 0 3 418.490 1.236 50 0 in-vitro HDAAHN CCOc1cccc(N2C(=O)C[C@@H](NCCc3ccc(S(N)(=O)=O)cc3)C2=O)c1 ZINC000004019245 557505684 /nfs/dbraw/zinc/50/56/84/557505684.db2.gz IQSKZGFWDYJBGE-GOSISDBHSA-N 0 3 417.487 1.197 50 0 HDAAHN COc1cc(CNCCn2ccnc2C)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000011816803 558280096 /nfs/dbraw/zinc/28/00/96/558280096.db2.gz WORHZOPCTAIHHU-IBGZPJMESA-N 0 3 404.511 1.062 50 0 HDAAHN COc1cc(CNCCn2ccnc2C)ccc1OC[C@H](O)CN1CCOCC1 ZINC000011816804 558280109 /nfs/dbraw/zinc/28/01/09/558280109.db2.gz WORHZOPCTAIHHU-LJQANCHMSA-N 0 3 404.511 1.062 50 0 HDAAHN CC1CCN(Cc2nnnn2CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000012433052 558407069 /nfs/dbraw/zinc/40/70/69/558407069.db2.gz XDOANZAJIGBPGJ-HXUWFJFHSA-N 0 3 411.554 1.686 50 0 HDAAHN CCn1cc(CNCc2cccc(OC[C@H](O)CN3CCN(CC)CC3)c2)cn1 ZINC000022852424 558517123 /nfs/dbraw/zinc/51/71/23/558517123.db2.gz NEURCJMYKUUHSS-OAQYLSRUSA-N 0 3 401.555 1.570 50 0 HDAAHN COc1ccc([C@@H](CNC(=O)COCc2nc3ccccc3c(=O)[nH]2)N(C)C)cc1 ZINC000023178137 558540668 /nfs/dbraw/zinc/54/06/68/558540668.db2.gz JWWYCXUWYJVMSF-LJQANCHMSA-N 0 3 410.474 1.867 50 0 HDAAHN O=C(c1nc2ccccn2c1CNCCCn1nnc2ccccc21)N1CCOCC1 ZINC000013596808 558547430 /nfs/dbraw/zinc/54/74/30/558547430.db2.gz SMGRMUXDBDXERJ-UHFFFAOYSA-N 0 3 419.489 1.731 50 0 HDAAHN O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)N1CCN(C2CCCC2)CC1 ZINC000015075735 558716290 /nfs/dbraw/zinc/71/62/90/558716290.db2.gz GWTGJKRHQYNKPM-HXUWFJFHSA-N 0 3 402.514 1.603 50 0 HDAAHN COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CN(C)Cc2nccs2)c1 ZINC000055099747 558872315 /nfs/dbraw/zinc/87/23/15/558872315.db2.gz XLBSXDNKCINBAF-GOSISDBHSA-N 0 3 421.563 1.980 50 0 HDAAHN Cc1ccccc1-c1nnc2ccc(N3CCC(C(=O)NCCN(C)C)CC3)nn21 ZINC000033260191 558926092 /nfs/dbraw/zinc/92/60/92/558926092.db2.gz WABDONKRYZSVAN-UHFFFAOYSA-N 0 3 407.522 1.994 50 0 HDAAHN CN(C)CCNC(=O)C1CCN(c2ccc3nnc(-c4ccccc4F)n3n2)CC1 ZINC000033260344 558926117 /nfs/dbraw/zinc/92/61/17/558926117.db2.gz KVSYGTFFALTJDS-UHFFFAOYSA-N 0 3 411.485 1.825 50 0 HDAAHN Cc1ccc(NC(=O)c2nnc(C(=O)NCCCN3CCN(C)CC3)s2)cc1 ZINC000033060418 558954871 /nfs/dbraw/zinc/95/48/71/558954871.db2.gz BECRRVZPARTHHV-UHFFFAOYSA-N 0 3 402.524 1.466 50 0 HDAAHN COc1ccc(C(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)cc1OC ZINC000065362843 558973742 /nfs/dbraw/zinc/97/37/42/558973742.db2.gz WJTBIPWAHXUHQS-UHFFFAOYSA-N 0 3 401.467 1.481 50 0 HDAAHN O=C(COc1cccc(-n2cnnn2)c1)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000072474246 558983649 /nfs/dbraw/zinc/98/36/49/558983649.db2.gz WBKIPCUMGIRADK-IBGZPJMESA-N 0 3 406.490 1.864 50 0 HDAAHN CS[C@@H]1CN(S(=O)(=O)CCC(=O)OCc2ccccc2)C[C@@H]1N1CCCC1 ZINC000097097539 558992368 /nfs/dbraw/zinc/99/23/68/558992368.db2.gz SKHGGXJYVIMRPW-ZWKOTPCHSA-N 0 3 412.577 1.961 50 0 HDAAHN COC[C@H]1CCCN1Cc1ccc(C(=O)NCc2cn3cc(C)sc3n2)c(=O)[nH]1 ZINC000077488014 559007223 /nfs/dbraw/zinc/00/72/23/559007223.db2.gz FSYZUQINEPIUJR-MRXNPFEDSA-N 0 3 415.519 1.933 50 0 HDAAHN CCCCN1CCN([C@@H](C(=O)NC2CCN(C)CC2)c2ccccc2)C(=O)C1=O ZINC000077566415 559009344 /nfs/dbraw/zinc/00/93/44/559009344.db2.gz DGDKZQZXOJPGNK-LJQANCHMSA-N 0 3 400.523 1.409 50 0 HDAAHN Cc1ncc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c(=O)[n-]1 ZINC000082096461 559037302 /nfs/dbraw/zinc/03/73/02/559037302.db2.gz GUGSNOZMZYUSPB-MRXNPFEDSA-N 0 3 401.511 1.017 50 0 HDAAHN Cc1ncc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c(=O)[n-]1 ZINC000082096461 559037303 /nfs/dbraw/zinc/03/73/03/559037303.db2.gz GUGSNOZMZYUSPB-MRXNPFEDSA-N 0 3 401.511 1.017 50 0 HDAAHN O=C(CN1CC[C@H](N2CCOCC2)[C@H](CCCO)C1)N1CCOc2ccccc21 ZINC000095387953 559080647 /nfs/dbraw/zinc/08/06/47/559080647.db2.gz SRPMPOGRBOBUNE-MOPGFXCFSA-N 0 3 403.523 1.207 50 0 HDAAHN COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2c[nH]c(=O)[n-]c2=O)CC1 ZINC000095503392 559082726 /nfs/dbraw/zinc/08/27/26/559082726.db2.gz KRXVPVIIQUBMLZ-UHFFFAOYSA-N 0 3 400.479 1.099 50 0 HDAAHN COc1ccc(CN(C)Cc2ccoc2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000095516814 559084570 /nfs/dbraw/zinc/08/45/70/559084570.db2.gz ZUZJTPHTQDZNMF-HXUWFJFHSA-N 0 3 403.523 1.907 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cc(C)[nH]c(=O)c2)CC1 ZINC000095519609 559084871 /nfs/dbraw/zinc/08/48/71/559084871.db2.gz CFBCJJBCAJQZDF-LJQANCHMSA-N 0 3 402.539 1.916 50 0 HDAAHN C[C@@H](C(=O)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1)N1CCCC1 ZINC000095519630 559084945 /nfs/dbraw/zinc/08/49/45/559084945.db2.gz QSWIMBWSRLYZGW-IBGZPJMESA-N 0 3 401.555 1.989 50 0 HDAAHN Cc1n[nH]c(CCC(=O)N2CCC3(CCC(=O)N([C@@H]4CCN(C)C4)C3)CC2)c1C ZINC000095519759 559085126 /nfs/dbraw/zinc/08/51/26/559085126.db2.gz MAAMTUXLEQXNFJ-GOSISDBHSA-N 0 3 401.555 1.894 50 0 HDAAHN CN1CCN(C[C@@H](O)COc2ccc(CN3CC(N4CCCCC4)C3)cc2)CC1 ZINC000095521979 559085406 /nfs/dbraw/zinc/08/54/06/559085406.db2.gz VPEQCTFMMPIUPR-JOCHJYFZSA-N 0 3 402.583 1.344 50 0 HDAAHN CCN1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3c[nH]nc3C)c2)CC1 ZINC000095530573 559086818 /nfs/dbraw/zinc/08/68/18/559086818.db2.gz PKKGLUYSFVWOPG-OAQYLSRUSA-N 0 3 401.555 1.727 50 0 HDAAHN CCc1cc(N2CCC(N[C@@H](C)c3nc(C)no3)CC2)nc(N2CCOCC2)n1 ZINC000095531638 559087061 /nfs/dbraw/zinc/08/70/61/559087061.db2.gz SNVGMDRULSKQCP-AWEZNQCLSA-N 0 3 401.515 1.887 50 0 HDAAHN C[C@@H]1Sc2ccc(C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)cc2NC1=O ZINC000247963638 559257122 /nfs/dbraw/zinc/25/71/22/559257122.db2.gz FXOBBRDJNYDYRA-BBRMVZONSA-N 0 3 404.536 1.792 50 0 HDAAHN CN(C)[C@@H](CNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)c1ccccc1 ZINC000011998113 559270074 /nfs/dbraw/zinc/27/00/74/559270074.db2.gz WWOZPTWJYXQQEA-SFHVURJKSA-N 0 3 401.488 1.786 50 0 HDAAHN CCN(CC)c1ccc(C2=NO[C@H](Cn3c(=O)c4c(ncn4C)n(C)c3=O)C2)cc1 ZINC000005207931 560538657 /nfs/dbraw/zinc/53/86/57/560538657.db2.gz RXBOXRIRJHPKBB-INIZCTEOSA-N 0 3 410.478 1.473 50 0 HDAAHN CCCN1CCN(c2ncnc3sc(C(=O)N4CCN(C)CC4)c(C)c32)CC1 ZINC000033048376 568510839 /nfs/dbraw/zinc/51/08/39/568510839.db2.gz MNCCHTYTXIVEPB-UHFFFAOYSA-N 0 3 402.568 1.919 50 0 HDAAHN CCN(CC)CCNC(=O)C(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(CC)CC1 ZINC000020287889 568597536 /nfs/dbraw/zinc/59/75/36/568597536.db2.gz OAHJPOATIDDZAC-HKUYNNGSSA-N 0 3 423.627 1.389 50 0 HDAAHN CCN(CC)CCNC(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(CC)CC1 ZINC000020287891 568597567 /nfs/dbraw/zinc/59/75/67/568597567.db2.gz OAHJPOATIDDZAC-MJGOQNOKSA-N 0 3 423.627 1.389 50 0 HDAAHN CC1CCN(CCNC(=O)c2cnc3sc(N4CCCCCC4)nn3c2=O)CC1 ZINC000021161786 568674524 /nfs/dbraw/zinc/67/45/24/568674524.db2.gz HMQAFCSXPKWUFF-UHFFFAOYSA-N 0 3 418.567 1.993 50 0 HDAAHN CCCc1cc(=O)n2nc(N(C)CC(=O)NCCN3CCCCCC3)sc2n1 ZINC000021165534 568674572 /nfs/dbraw/zinc/67/45/72/568674572.db2.gz QSAOSPQMAQFRAK-UHFFFAOYSA-N 0 3 406.556 1.532 50 0 HDAAHN COc1cccc(C(=O)N2CCN(c3nc(NCCO)nc(NC(C)C)n3)CC2)c1 ZINC000225816918 568677312 /nfs/dbraw/zinc/67/73/12/568677312.db2.gz XFFJAMCLONKDAI-UHFFFAOYSA-N 0 3 415.498 1.067 50 0 HDAAHN CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2N2CCC(N3CCCCC3)CC2)CC1 ZINC000021522427 568708736 /nfs/dbraw/zinc/70/87/36/568708736.db2.gz KGACGOBYFPUUBO-UHFFFAOYSA-N 0 3 418.538 1.770 50 0 HDAAHN Cn1ccnc1CCN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299756021 568872593 /nfs/dbraw/zinc/87/25/93/568872593.db2.gz AMGMXHICCYIJJT-HXUWFJFHSA-N 0 3 416.497 1.873 50 0 HDAAHN COc1ccc(CN2CCNC(=O)C2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012714294 568917870 /nfs/dbraw/zinc/91/78/70/568917870.db2.gz SJWMYCXURMHJRA-HXUWFJFHSA-N 0 3 413.518 1.499 50 0 HDAAHN C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1 ZINC000012766428 568948572 /nfs/dbraw/zinc/94/85/72/568948572.db2.gz IWFDAPJVGMECFP-AWEZNQCLSA-N 0 3 401.479 1.530 50 0 HDAAHN Cc1cccc(Cn2c3c(nc2N2CCN(CCC(C)C)CC2)n(C)c(=O)[nH]c3=O)c1 ZINC000004316502 568962227 /nfs/dbraw/zinc/96/22/27/568962227.db2.gz IRVOMKKCAPKBHG-UHFFFAOYSA-N 0 3 424.549 1.948 50 0 HDAAHN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CSC3=NCCN3)cc2)C1 ZINC000012821310 569005572 /nfs/dbraw/zinc/00/55/72/569005572.db2.gz YHZSBDKXBJBIJH-OKILXGFUSA-N 0 3 410.565 1.984 50 0 HDAAHN COc1cc(C(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc(OC)c1OC ZINC000015838296 569013706 /nfs/dbraw/zinc/01/37/06/569013706.db2.gz ASSSRZLXJRAQPQ-UHFFFAOYSA-N 0 3 415.494 1.839 50 0 HDAAHN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000575608324 569032213 /nfs/dbraw/zinc/03/22/13/569032213.db2.gz SAZAMPDDWPZCIK-KRWDZBQOSA-N 0 3 421.519 1.119 50 0 HDAAHN COc1ccc(-c2cc(C(=O)N3CCC[C@H](C(=O)NCCN(C)C)C3)no2)cc1 ZINC000035989307 569074420 /nfs/dbraw/zinc/07/44/20/569074420.db2.gz HNNAIHIGBQBTFA-INIZCTEOSA-N 0 3 400.479 1.880 50 0 HDAAHN COc1ccc(OC)c(-c2cc(C(=O)N[C@H](C(=O)NCCN(C)C)C(C)C)no2)c1 ZINC000036016070 569076577 /nfs/dbraw/zinc/07/65/77/569076577.db2.gz WRSBGEHAEMYMRD-IBGZPJMESA-N 0 3 418.494 1.791 50 0 HDAAHN Cc1cc(C)cc(-n2nc(C(=O)NCCN(C)C)c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000036093957 569089457 /nfs/dbraw/zinc/08/94/57/569089457.db2.gz KFUXNCKZQPEPDZ-UHFFFAOYSA-N 0 3 421.501 1.351 50 0 HDAAHN CC[C@@H](C(=O)NCCN1CCN(CC)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787525 569094222 /nfs/dbraw/zinc/09/42/22/569094222.db2.gz MOKNFFODCPJBEM-IBGZPJMESA-N 0 3 424.549 1.593 50 0 HDAAHN CN(CCNC(=O)c1cc(=O)nc2sc(N3CCCC3)nn21)C1CCCCC1 ZINC000064837032 569105061 /nfs/dbraw/zinc/10/50/61/569105061.db2.gz DUKJVLAMCYUBKC-UHFFFAOYSA-N 0 3 404.540 1.746 50 0 HDAAHN CCN1CCN(CCNC(=O)C2CCN(c3ccc(N4CCCC4)nn3)CC2)CC1 ZINC000064873110 569113916 /nfs/dbraw/zinc/11/39/16/569113916.db2.gz LPDNUPKRHJPFIF-UHFFFAOYSA-N 0 3 415.586 1.047 50 0 HDAAHN CN1CCC(N(Cc2ccco2)C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)CC1 ZINC000064950552 569129526 /nfs/dbraw/zinc/12/95/26/569129526.db2.gz SDVBGGVVTFDRBE-UHFFFAOYSA-N 0 3 416.503 1.628 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1 ZINC000065117638 569180651 /nfs/dbraw/zinc/18/06/51/569180651.db2.gz LUWFNGDDTQRYGU-CQSZACIVSA-N 0 3 422.507 1.309 50 0 HDAAHN O=C(NCCN1CCCCC1)C1CCN(c2cncnc2N2CCOCC2)CC1 ZINC000065226811 569200048 /nfs/dbraw/zinc/20/00/48/569200048.db2.gz RZOUIRIPVCSGRA-UHFFFAOYSA-N 0 3 402.543 1.132 50 0 HDAAHN O=C(NCCCN1CCOCC1)c1cccc(N2CCN[C@H](c3ccccc3)C2)n1 ZINC000065256241 569208175 /nfs/dbraw/zinc/20/81/75/569208175.db2.gz KBFLVSACVSGYRX-NRFANRHFSA-N 0 3 409.534 1.685 50 0 HDAAHN Cc1cc(NC(=O)CN2CCC[C@H]2CN2CCCCC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000250876878 569258390 /nfs/dbraw/zinc/25/83/90/569258390.db2.gz MADSUZUXPMRULE-ROUUACIJSA-N 0 3 423.583 1.440 50 0 HDAAHN O=C([C@@H]1CCCN1C1CCOCC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000089840317 569267011 /nfs/dbraw/zinc/26/70/11/569267011.db2.gz PWORPNHVVBMRBK-FQEVSTJZSA-N 0 3 421.563 1.304 50 0 HDAAHN CC(=O)N1CCN([C@H]2CCOC3(CCN(C(=O)COc4ccccc4)CC3)C2)CC1 ZINC000581820178 569321096 /nfs/dbraw/zinc/32/10/96/569321096.db2.gz WPXSWTOAZTZERF-FQEVSTJZSA-N 0 3 415.534 1.770 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CCCn2cncn2)CC1 ZINC000012050795 569364989 /nfs/dbraw/zinc/36/49/89/569364989.db2.gz WEABWPAODKCKRK-LJQANCHMSA-N 0 3 404.559 1.678 50 0 HDAAHN CCOc1ccc([C@@H]2NC(=O)N=C(CN3CCCN(C)CC3)C2C(=O)OC)cc1 ZINC000067287213 571065098 /nfs/dbraw/zinc/06/50/98/571065098.db2.gz YGDKMQAADCQHSH-IBGZPJMESA-N 0 3 402.495 1.504 50 0 HDAAHN CCOC(=O)C1C(CN2CCN(C)CC2)=NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286955 571065183 /nfs/dbraw/zinc/06/51/83/571065183.db2.gz OIQDJTGWABPUML-GOSISDBHSA-N 0 3 404.536 1.827 50 0 HDAAHN CCOc1ccc(C(=O)N[C@@H](C)C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 ZINC000008996833 571209206 /nfs/dbraw/zinc/20/92/06/571209206.db2.gz HDPYCQXCWNITQD-HNNXBMFYSA-N 0 3 411.506 1.590 50 0 HDAAHN COc1ccc(-c2cc3c(=O)n(CC(=O)NCCN4CCCC[C@@H]4C)ncn3n2)cc1 ZINC000009727397 571282605 /nfs/dbraw/zinc/28/26/05/571282605.db2.gz QQAZPTAMPNYWFK-INIZCTEOSA-N 0 3 424.505 1.557 50 0 HDAAHN CC(C)[C@@H](CNS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1)N1CCCC1 ZINC000820696230 1075647947 /nfs/dbraw/zinc/64/79/47/1075647947.db2.gz CMJROKIYEOOWLU-QGZVFWFLSA-N 0 3 418.585 1.304 50 0 HDAAHN Cc1ccc(S(=O)(=O)N(CCN2CCCCC2)CC(=O)N2CCNCC2)c(C)c1 ZINC000045974778 525511982 /nfs/dbraw/zinc/51/19/82/525511982.db2.gz ZHWUMUYJGLASED-UHFFFAOYSA-N 0 3 422.595 1.212 50 0 HDAAHN O=C(CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1=O)NCCN1CCCCC1 ZINC000035537136 526763132 /nfs/dbraw/zinc/76/31/32/526763132.db2.gz DMYDJMOGYHHKGY-UHFFFAOYSA-N 0 3 421.929 1.618 50 0 HDAAHN COc1ccc(N2C(=O)C[C@H](NC3CCN(c4cc(C)nc(C)n4)CC3)C2=O)cc1 ZINC000004770827 557596480 /nfs/dbraw/zinc/59/64/80/557596480.db2.gz NHCUJEZIPLIHQR-IBGZPJMESA-N 0 3 409.490 1.993 50 0 HDAAHN NS(=O)(=O)c1ccc(CCN[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000019791079 558282468 /nfs/dbraw/zinc/28/24/68/558282468.db2.gz NFCPJMVIXFKRKY-KRWDZBQOSA-N 0 3 421.906 1.447 50 0 HDAAHN COC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1ccccc1 ZINC000019818012 558288248 /nfs/dbraw/zinc/28/82/48/558288248.db2.gz NSAZRCMDPIAHQB-PMACEKPBSA-N 0 3 406.486 1.821 50 0 HDAAHN COc1ccc(CN2CCCN(C=O)CC2)cc1OC[C@H](O)CN1CCCCC1 ZINC000012051262 558314171 /nfs/dbraw/zinc/31/41/71/558314171.db2.gz AWQYFUHXSSOWOY-HXUWFJFHSA-N 0 3 405.539 1.585 50 0 HDAAHN O=C(NC[C@@H]1CCC2(CCN(Cc3cccc(OCCO)c3)CC2)O1)[C@H]1CCCO1 ZINC000012182976 558343933 /nfs/dbraw/zinc/34/39/33/558343933.db2.gz LVPWTIMEPDYLOD-LEWJYISDSA-N 0 3 418.534 1.867 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@@]2(CC)CCC(=O)NC2=O)cc1 ZINC000012409047 558399655 /nfs/dbraw/zinc/39/96/55/558399655.db2.gz CGHVAHMREGLLNB-VGOFRKELSA-N 0 3 414.506 1.310 50 0 HDAAHN COc1cc(C(=O)NCCN2CCCC[C@H]2CO)ccc1OC1CCN(C)CC1 ZINC000012439226 558410916 /nfs/dbraw/zinc/41/09/16/558410916.db2.gz XLFKKGHMTCMRBW-SFHVURJKSA-N 0 3 405.539 1.745 50 0 HDAAHN CCN1CCN(Cc2ccc(OC[C@@H](O)CN3CCN(CC)CC3)c(OC)c2)CC1 ZINC000020995304 558426600 /nfs/dbraw/zinc/42/66/00/558426600.db2.gz NYWIWSCXULIQGV-NRFANRHFSA-N 0 3 420.598 1.210 50 0 HDAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)Cn1cncn1 ZINC000012594209 558436824 /nfs/dbraw/zinc/43/68/24/558436824.db2.gz ZVLACJDVNMWSNW-GOSISDBHSA-N 0 3 402.518 1.720 50 0 HDAAHN CCN(CC)[C@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000022758714 558508103 /nfs/dbraw/zinc/50/81/03/558508103.db2.gz MGBKJNWGSHQWML-GOSISDBHSA-N 0 3 409.490 1.445 50 0 HDAAHN Cn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@H](NCc1ccccc1F)C2 ZINC000014751559 558670856 /nfs/dbraw/zinc/67/08/56/558670856.db2.gz SOLLFEDBVSAOCI-KRWDZBQOSA-N 0 3 415.513 1.268 50 0 HDAAHN COc1ccc(Cc2nnc(C(=O)NCCCN3CCN(C)CC3)o2)cc1OC ZINC000022936369 558674348 /nfs/dbraw/zinc/67/43/48/558674348.db2.gz RWXOOIADDRMNCH-UHFFFAOYSA-N 0 3 403.483 1.045 50 0 HDAAHN COc1cccc(CNCC2(O)CCCCC2)c1OC[C@H](O)CN1CCOCC1 ZINC000015063556 558706216 /nfs/dbraw/zinc/70/62/16/558706216.db2.gz NCFFMAPQVMFNRF-LJQANCHMSA-N 0 3 408.539 1.552 50 0 HDAAHN CC(C)(C)c1ccc(OCCNCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000016695413 558800970 /nfs/dbraw/zinc/80/09/70/558800970.db2.gz UEVRVPDRZYJJST-UHFFFAOYSA-N 0 3 419.547 1.916 50 0 HDAAHN CCc1ccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)cc1 ZINC000038488313 558811574 /nfs/dbraw/zinc/81/15/74/558811574.db2.gz JHKLTVDXXKJBAA-UHFFFAOYSA-N 0 3 405.524 1.574 50 0 HDAAHN Cc1nnc(C(=O)Nc2cccc(C(=O)NCCCN3CCN(C)CC3)c2)s1 ZINC000033022592 558837776 /nfs/dbraw/zinc/83/77/76/558837776.db2.gz PWANLTHBAZNISY-UHFFFAOYSA-N 0 3 402.524 1.466 50 0 HDAAHN CN1CCCN(c2ccc(CNC(=O)CCc3nc(-c4cccnc4)no3)cn2)CC1 ZINC000058101394 558898898 /nfs/dbraw/zinc/89/88/98/558898898.db2.gz OVTOOMMVUJZMAM-UHFFFAOYSA-N 0 3 421.505 1.918 50 0 HDAAHN CCN1CCN(CCNC(=O)CSc2nc3ccccc3n(CC)c2=O)CC1 ZINC000033259824 558928614 /nfs/dbraw/zinc/92/86/14/558928614.db2.gz RVRDLGLYARKSRK-UHFFFAOYSA-N 0 3 403.552 1.262 50 0 HDAAHN Cc1ccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)cc1C ZINC000065363261 558974104 /nfs/dbraw/zinc/97/41/04/558974104.db2.gz XVHQYVDNEBHAEA-UHFFFAOYSA-N 0 3 405.524 1.629 50 0 HDAAHN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000072436941 558980249 /nfs/dbraw/zinc/98/02/49/558980249.db2.gz ONPIGRLESFTCJX-IBGZPJMESA-N 0 3 408.568 1.069 50 0 HDAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1 ZINC000072437918 558981205 /nfs/dbraw/zinc/98/12/05/558981205.db2.gz QFVKHZNYQWOSOF-UHFFFAOYSA-N 0 3 416.476 1.777 50 0 HDAAHN Cc1noc(C)c1S(=O)(=O)N1CCN(c2cc(N3CCCC3)nc(C)n2)CC1 ZINC000067603655 558988273 /nfs/dbraw/zinc/98/82/73/558988273.db2.gz IKKHDJNAJFVHCT-UHFFFAOYSA-N 0 3 406.512 1.501 50 0 HDAAHN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000067629577 558990227 /nfs/dbraw/zinc/99/02/27/558990227.db2.gz HCFUJVFCAMMVAG-INIZCTEOSA-N 0 3 424.567 1.617 50 0 HDAAHN CCN1CCN(CCCN2CC3(CCN(C(=O)[C@H]4CCCO4)CC3)OC2=O)CC1 ZINC000077342745 559001877 /nfs/dbraw/zinc/00/18/77/559001877.db2.gz MPYUFSRMZRPELE-GOSISDBHSA-N 0 3 408.543 1.006 50 0 HDAAHN COCCN(C)CCN1CC2(CCN(C(=O)CN3CCCCCC3)CC2)OC1=O ZINC000077380038 559002986 /nfs/dbraw/zinc/00/29/86/559002986.db2.gz UCOHDKAUFUAKRC-UHFFFAOYSA-N 0 3 410.559 1.254 50 0 HDAAHN COc1ccc(-n2nc(Cc3ccccc3)n(CC(=O)NCCN(C)C)c2=O)cc1 ZINC000077536226 559008644 /nfs/dbraw/zinc/00/86/44/559008644.db2.gz WDGBGBAACVOVFR-UHFFFAOYSA-N 0 3 409.490 1.311 50 0 HDAAHN CN(C)S(=O)(=O)N(CC(=O)NCCN(C)Cc1ccccc1)c1ccccc1 ZINC000033269412 559032203 /nfs/dbraw/zinc/03/22/03/559032203.db2.gz PYJUMBRZDANNJO-UHFFFAOYSA-N 0 3 404.536 1.548 50 0 HDAAHN CC(C)S(=O)(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082137312 559040353 /nfs/dbraw/zinc/04/03/53/559040353.db2.gz GRAYLYZEMCQWKF-GOSISDBHSA-N 0 3 408.568 1.612 50 0 HDAAHN CC(C)S(=O)(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082156943 559041490 /nfs/dbraw/zinc/04/14/90/559041490.db2.gz XDPSQNITVNIMLX-KRWDZBQOSA-N 0 3 408.568 1.612 50 0 HDAAHN CSCC[C@H](N)C(=O)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 ZINC000091505707 559071815 /nfs/dbraw/zinc/07/18/15/559071815.db2.gz LHLPRFCGJGUHNM-SFHVURJKSA-N 0 3 404.580 1.936 50 0 HDAAHN CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)Cc1c[nH]c(=O)[nH]c1=O ZINC000095497054 559081531 /nfs/dbraw/zinc/08/15/31/559081531.db2.gz FLEXGTLVWPKJAG-HNNXBMFYSA-N 0 3 402.470 1.158 50 0 HDAAHN CCN1CCN(C[C@H](O)COc2cccc(CN3CCC4(CCO4)CC3)c2)CC1 ZINC000095519616 559084902 /nfs/dbraw/zinc/08/49/02/559084902.db2.gz WVVFJVRGIBQPPI-NRFANRHFSA-N 0 3 403.567 1.819 50 0 HDAAHN COc1ccc(N2C(=O)C[C@@H](NC3CCN(c4cc(C)nc(C)n4)CC3)C2=O)cc1 ZINC000100213529 559132017 /nfs/dbraw/zinc/13/20/17/559132017.db2.gz NHCUJEZIPLIHQR-LJQANCHMSA-N 0 3 409.490 1.993 50 0 HDAAHN Cc1cc(=O)n2nc(N3CCC(C(=O)NCCN4CCCCCC4)CC3)sc2n1 ZINC000005148994 559253104 /nfs/dbraw/zinc/25/31/04/559253104.db2.gz ZAQCANHERKCAQN-UHFFFAOYSA-N 0 3 418.567 1.668 50 0 HDAAHN CN(CC(=O)Nc1cccc(NC2CCN(C)CC2)c1)S(=O)(=O)c1cccnc1 ZINC000062580748 560631624 /nfs/dbraw/zinc/63/16/24/560631624.db2.gz FCRWIPFLTIDVFH-UHFFFAOYSA-N 0 3 417.535 1.847 50 0 HDAAHN CCN1CCC[C@@H]1CN[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000103416375 560842103 /nfs/dbraw/zinc/84/21/03/560842103.db2.gz QNVUULNMKWCSKY-SJLPKXTDSA-N 0 3 408.568 1.872 50 0 HDAAHN Cn1c2ccc(NC(=O)C(=O)NC3CCN(Cc4ccccc4)CC3)cc2n(C)c1=O ZINC000049546185 568451436 /nfs/dbraw/zinc/45/14/36/568451436.db2.gz RVBJPOJQWWWUSG-UHFFFAOYSA-N 0 3 421.501 1.596 50 0 HDAAHN CCN1CCN(CCCNC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)CC1 ZINC000020415720 568605911 /nfs/dbraw/zinc/60/59/11/568605911.db2.gz CQJQHZQFJUWDIX-UHFFFAOYSA-N 0 3 410.522 1.032 50 0 HDAAHN CC(=O)[C@@H]1CC(C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)=NN1c1ccccc1 ZINC000095455953 568617361 /nfs/dbraw/zinc/61/73/61/568617361.db2.gz NBHQTJUTXSMLBJ-JTSKRJEESA-N 0 3 411.550 1.837 50 0 HDAAHN CCN1CCN(CCNC(=O)c2ccc(CN3c4cc(C)nn4CCC3=O)cc2)CC1 ZINC000020938353 568652602 /nfs/dbraw/zinc/65/26/02/568652602.db2.gz NZGPAYAVZFYCQY-UHFFFAOYSA-N 0 3 424.549 1.496 50 0 HDAAHN CCN1CCN(CCNC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000020996374 568656910 /nfs/dbraw/zinc/65/69/10/568656910.db2.gz NWBHPUUUIMZWCE-INIZCTEOSA-N 0 3 402.568 1.661 50 0 HDAAHN CCOCCN1CCN(c2cc(N3CCN(CCOCC)[C@@H](C)C3)ncn2)C[C@H]1C ZINC000095974087 568672016 /nfs/dbraw/zinc/67/20/16/568672016.db2.gz CGPBELXXEAEBJR-BGYRXZFFSA-N 0 3 420.602 1.571 50 0 HDAAHN COc1ccccc1NC(=O)c1ccc(NC(=O)CNCCN2CCOCC2)cc1 ZINC000025436836 568768847 /nfs/dbraw/zinc/76/88/47/568768847.db2.gz ICQZQLCMYOMDJT-UHFFFAOYSA-N 0 3 412.490 1.808 50 0 HDAAHN CCCn1c(CCC(=O)NC2CCN(CC)CC2)nc2cc(S(N)(=O)=O)ccc21 ZINC000029607330 568827713 /nfs/dbraw/zinc/82/77/13/568827713.db2.gz KEQNMXHPNBYGFS-UHFFFAOYSA-N 0 3 421.567 1.627 50 0 HDAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1scc2c1OCCO2 ZINC000670448938 568921861 /nfs/dbraw/zinc/92/18/61/568921861.db2.gz LKEDVPOREJCFRQ-BGWLNWIQSA-N 0 3 411.527 1.817 50 0 HDAAHN CC(C)[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000004084010 568939449 /nfs/dbraw/zinc/93/94/49/568939449.db2.gz KHXXCMYWWWENOE-BXWFABGCSA-N 0 3 402.539 1.590 50 0 biogenic HDAAHN CC(C)C[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000004083610 568939544 /nfs/dbraw/zinc/93/95/44/568939544.db2.gz JBFBADKGGFXWLW-UWVAXJGDSA-N 0 3 416.566 1.981 50 0 biogenic HDAAHN O=C1CCCC(=O)N1CCS(=O)(=O)NCC1CCN(Cc2ccccc2)CC1 ZINC000038583530 569002142 /nfs/dbraw/zinc/00/21/42/569002142.db2.gz PAIJHXQDMIINLB-UHFFFAOYSA-N 0 3 407.536 1.357 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)c1cc(=O)nc2sc(N3CCCCCC3)nn21 ZINC000015861445 569015571 /nfs/dbraw/zinc/01/55/71/569015571.db2.gz GDZKPHYIBLZKLN-CQSZACIVSA-N 0 3 404.540 1.746 50 0 HDAAHN Cc1c(C(N)=O)sc(NC(=O)CN2CCN3CCC[C@H]3C2)c1C(=O)OC(C)C ZINC000239439134 569054419 /nfs/dbraw/zinc/05/44/19/569054419.db2.gz ZMGDKWZHOSZCMJ-ZDUSSCGKSA-N 0 3 408.524 1.439 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@]2(CC)CCC(=O)NC2=O)cc1 ZINC000036352089 569147104 /nfs/dbraw/zinc/14/71/04/569147104.db2.gz CGHVAHMREGLLNB-JTSKRJEESA-N 0 3 414.506 1.310 50 0 HDAAHN Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1 ZINC000017012210 569271452 /nfs/dbraw/zinc/27/14/52/569271452.db2.gz NTPYUALVNMGZHD-UHFFFAOYSA-N 0 3 416.476 1.777 50 0 HDAAHN COc1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1 ZINC000017012358 569271486 /nfs/dbraw/zinc/27/14/86/569271486.db2.gz YQHOMDNHPJSGOK-UHFFFAOYSA-N 0 3 410.522 1.508 50 0 HDAAHN CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](CN3CCCCC3)[C@H]1[C@@H]2O ZINC000012877501 569404405 /nfs/dbraw/zinc/40/44/05/569404405.db2.gz VHWHLUAIVKKCCK-YZGXDHCWSA-N 0 3 409.523 1.350 50 0 biogenic HDAAHN CC1=NN(CCN2CCCCC2)c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2C1 ZINC000009060068 571217292 /nfs/dbraw/zinc/21/72/92/571217292.db2.gz BAFABPURTADLMN-UHFFFAOYSA-N 0 3 401.515 1.235 50 0 HDAAHN CCN1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(OC)c1 ZINC000045966756 521633607 /nfs/dbraw/zinc/63/36/07/521633607.db2.gz JMLZVHOWFGWLTD-LJQANCHMSA-N 0 3 402.539 1.444 50 0 HDAAHN CCN1CCN([C@@H](C)CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)CC1 ZINC000032594179 521691001 /nfs/dbraw/zinc/69/10/01/521691001.db2.gz RGAUIZHBNBNMLP-HNNXBMFYSA-N 0 3 400.479 1.869 50 0 HDAAHN COCC1CCN(Cc2ccc(OC)cc2OC[C@@H](O)CN2CCN(C)CC2)CC1 ZINC000020537162 522935444 /nfs/dbraw/zinc/93/54/44/522935444.db2.gz ALZMQQHPVFEAIT-NRFANRHFSA-N 0 3 421.582 1.541 50 0 HDAAHN Cc1ccc(C)c(S(=O)(=O)N(CCN2CCCCC2)CC(=O)N2CCNCC2)c1 ZINC000045974772 524185575 /nfs/dbraw/zinc/18/55/75/524185575.db2.gz HEPFENZDUXFCQU-UHFFFAOYSA-N 0 3 422.595 1.212 50 0 HDAAHN CC[NH+](CC)CCN1c2ccc(C)cc2[C@@]2(SC([N-]C(C)=O)=NN2C(C)=O)C1=O ZINC000002434102 557347048 /nfs/dbraw/zinc/34/70/48/557347048.db2.gz AWIQZFLTRWEGHB-HXUWFJFHSA-N 0 3 417.535 1.839 50 0 HDAAHN CCN1CCN(C(=O)c2[nH]nc3c2CN(C(=O)Cc2ccc(F)cc2F)CC3)CC1 ZINC000034797239 557472347 /nfs/dbraw/zinc/47/23/47/557472347.db2.gz ABSJDXJMLACIHO-UHFFFAOYSA-N 0 3 417.460 1.593 50 0 HDAAHN COc1cccc([C@]2(CC(=O)N(C)CC(C)C)CC(=O)N(CCN(C)C)C2=O)c1 ZINC000012037023 558312134 /nfs/dbraw/zinc/31/21/34/558312134.db2.gz VJQLVCGRNCEDEG-QFIPXVFZSA-N 0 3 403.523 1.758 50 0 HDAAHN Cc1c(C(N)=O)sc(NC(=O)CN2CCN3CCC[C@@H]3C2)c1C(=O)OC(C)C ZINC000020295038 558354575 /nfs/dbraw/zinc/35/45/75/558354575.db2.gz ZMGDKWZHOSZCMJ-CYBMUJFWSA-N 0 3 408.524 1.439 50 0 HDAAHN COc1ccc(CN(CCO)CCO)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012297608 558367598 /nfs/dbraw/zinc/36/75/98/558367598.db2.gz IWEAHIKPGUDYLC-OAQYLSRUSA-N 0 3 418.534 1.354 50 0 HDAAHN CCOC(=O)CNC(=O)N1CCC[C@H](N(C)CCc2ccc(OC)c(OC)c2)C1 ZINC000012702556 558448182 /nfs/dbraw/zinc/44/81/82/558448182.db2.gz VUYGGJVQZDUWRI-KRWDZBQOSA-N 0 3 407.511 1.915 50 0 HDAAHN COc1ccccc1NC(=O)N1CCN(c2cc(N3CCOCC3)nc(C)n2)CC1 ZINC000021795274 558449514 /nfs/dbraw/zinc/44/95/14/558449514.db2.gz AZYOODUFQBVHHH-UHFFFAOYSA-N 0 3 412.494 1.984 50 0 HDAAHN CCN1CCN(CCCN[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000022581945 558499936 /nfs/dbraw/zinc/49/99/36/558499936.db2.gz XCWLXRFMZJNTNF-QGZVFWFLSA-N 0 3 423.355 1.698 50 0 HDAAHN COc1cccc(CNCCCn2ccnc2)c1OC[C@@H](O)CN1CCOCC1 ZINC000023338733 558550222 /nfs/dbraw/zinc/55/02/22/558550222.db2.gz HMBOYYOGFHMAEZ-IBGZPJMESA-N 0 3 404.511 1.144 50 0 HDAAHN CN(Cc1ccc(Br)s1)CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000023653761 558565537 /nfs/dbraw/zinc/56/55/37/558565537.db2.gz UDQLCURLNBKJBK-UHFFFAOYSA-N 0 3 401.330 1.916 50 0 HDAAHN COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN([C@@H](C)COC)CC2 ZINC000014541277 558660098 /nfs/dbraw/zinc/66/00/98/558660098.db2.gz JZQXAHDQGQIJTG-SFHVURJKSA-N 0 3 418.538 1.794 50 0 HDAAHN Cn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@H](NCc1cccc(F)c1)C2 ZINC000014733507 558666054 /nfs/dbraw/zinc/66/60/54/558666054.db2.gz LFGVQLNHYSVYAK-SFHVURJKSA-N 0 3 415.513 1.268 50 0 HDAAHN COc1cccc(CNCCOc2ccccc2)c1OC[C@@H](O)CN1CCOCC1 ZINC000014952616 558681529 /nfs/dbraw/zinc/68/15/29/558681529.db2.gz CHSJWGKHEWFOMS-FQEVSTJZSA-N 0 3 416.518 1.936 50 0 HDAAHN O=C(C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1)N1CCNC(=O)C1 ZINC000015075804 558716426 /nfs/dbraw/zinc/71/64/26/558716426.db2.gz FAUUCLXODHAVSH-UHFFFAOYSA-N 0 3 411.506 1.467 50 0 HDAAHN COC(=O)C1CCN(C[C@H](O)COc2ccc(CNCc3cccnc3)cc2)CC1 ZINC000015076657 558716842 /nfs/dbraw/zinc/71/68/42/558716842.db2.gz SBUQZSIYSHYMBP-NRFANRHFSA-N 0 3 413.518 1.996 50 0 HDAAHN Cc1nonc1C(=O)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 ZINC000015078903 558717868 /nfs/dbraw/zinc/71/78/68/558717868.db2.gz WYLCTHSLUUDGBD-UHFFFAOYSA-N 0 3 415.494 1.695 50 0 HDAAHN Cc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1 ZINC000015671297 558748539 /nfs/dbraw/zinc/74/85/39/558748539.db2.gz FYKCMJUFWZDDQS-UHFFFAOYSA-N 0 3 417.535 1.441 50 0 HDAAHN COc1cccc(CN2CCC(CCO)CC2)c1OC[C@H](O)CN1CCOCC1 ZINC000039379714 558820600 /nfs/dbraw/zinc/82/06/00/558820600.db2.gz SGUPQHRCOCGMJX-HXUWFJFHSA-N 0 3 408.539 1.362 50 0 HDAAHN CC(=O)c1ccc(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)nc1 ZINC000071524171 558904553 /nfs/dbraw/zinc/90/45/53/558904553.db2.gz FDBQHGINAXKQND-LJQANCHMSA-N 0 3 400.523 1.824 50 0 HDAAHN CN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)CC1 ZINC000071754822 558909522 /nfs/dbraw/zinc/90/95/22/558909522.db2.gz XFXDHHXYGIQCDE-UHFFFAOYSA-N 0 3 414.959 1.100 50 0 HDAAHN CCN1CCN(CCCNC(=O)c2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000033060428 558954828 /nfs/dbraw/zinc/95/48/28/558954828.db2.gz JKOQWXFUHCDKAG-UHFFFAOYSA-N 0 3 416.551 1.856 50 0 HDAAHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000077354333 559002155 /nfs/dbraw/zinc/00/21/55/559002155.db2.gz HINKDSOOZNSFIW-SFHVURJKSA-N 0 3 413.478 1.172 50 0 HDAAHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000077354333 559002157 /nfs/dbraw/zinc/00/21/57/559002157.db2.gz HINKDSOOZNSFIW-SFHVURJKSA-N 0 3 413.478 1.172 50 0 HDAAHN Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CC[NH2+]CC2)c(C(=O)N(C)C)c1 ZINC000033275435 559035203 /nfs/dbraw/zinc/03/52/03/559035203.db2.gz BXIBDYXQKYAWOR-UHFFFAOYSA-N 0 3 402.520 1.907 50 0 HDAAHN O=C(CN1CCC(c2ccccc2)CC1)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 ZINC000091616639 559072426 /nfs/dbraw/zinc/07/24/26/559072426.db2.gz PFKYGQLQGOOTFR-FGZHOGPDSA-N 0 3 401.551 1.265 50 0 HDAAHN COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](C)N1CCCCC1)CC2 ZINC000095500903 559082318 /nfs/dbraw/zinc/08/23/18/559082318.db2.gz CEDBGHKEAQOSIV-INIZCTEOSA-N 0 3 403.527 1.133 50 0 HDAAHN COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@H](C)N1CCCCC1)CC2 ZINC000095500903 559082320 /nfs/dbraw/zinc/08/23/20/559082320.db2.gz CEDBGHKEAQOSIV-INIZCTEOSA-N 0 3 403.527 1.133 50 0 HDAAHN O[C@@H](COc1cccc(CN2CCC(c3ncon3)CC2)c1)CN1CCOCC1 ZINC000095517006 559084656 /nfs/dbraw/zinc/08/46/56/559084656.db2.gz HOGKCDDZEDEESY-LJQANCHMSA-N 0 3 402.495 1.521 50 0 HDAAHN O=C(CN1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O)N1CCOCC1 ZINC000426555464 559274803 /nfs/dbraw/zinc/27/48/03/559274803.db2.gz INMBDLPIHWSTGH-OAQYLSRUSA-N 0 3 407.461 1.638 50 0 HDAAHN Cn1c(=O)c2ccc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)nc2n(C)c1=O ZINC000024556051 560845642 /nfs/dbraw/zinc/84/56/42/560845642.db2.gz KSGPPPSYSNMGKV-GOSISDBHSA-N 0 3 407.474 1.199 50 0 HDAAHN COc1ccc(OC[C@H](O)CN(CCO)C[C@@H](O)Cn2ccc3ccccc32)cc1 ZINC000012080507 560889045 /nfs/dbraw/zinc/88/90/45/560889045.db2.gz RDLCNKMHHWWUDK-WOJBJXKFSA-N 0 3 414.502 1.745 50 0 HDAAHN CCN1CCN(CCCNC(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)CC1 ZINC000020116048 568589441 /nfs/dbraw/zinc/58/94/41/568589441.db2.gz AOOUPEMRWBFPBT-UHFFFAOYSA-N 0 3 416.522 1.313 50 0 HDAAHN Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCCN2CCN(C)CC2)o1 ZINC000020240613 568595892 /nfs/dbraw/zinc/59/58/92/568595892.db2.gz HTYJOPSXYANPGO-UHFFFAOYSA-N 0 3 419.547 1.929 50 0 HDAAHN CCCN1CCN(CCCNC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)CC1 ZINC000020415726 568605966 /nfs/dbraw/zinc/60/59/66/568605966.db2.gz CRMHUYUCEMLIEO-UHFFFAOYSA-N 0 3 424.549 1.422 50 0 HDAAHN CCN1CCN(CCNC(=O)c2ccc(CS(=O)(=O)c3ccccc3C)o2)CC1 ZINC000020733586 568640840 /nfs/dbraw/zinc/64/08/40/568640840.db2.gz MJBQANIIUCRUEO-UHFFFAOYSA-N 0 3 419.547 1.929 50 0 HDAAHN CCn1nnc2c1ncnc2N1CC(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000096096796 568689335 /nfs/dbraw/zinc/68/93/35/568689335.db2.gz YLEIMPYNDBFAAW-UHFFFAOYSA-N 0 3 420.521 1.458 50 0 HDAAHN Cc1noc(C)c1CC(=O)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 ZINC000299758874 568873153 /nfs/dbraw/zinc/87/31/53/568873153.db2.gz LGYUQKUAYWVGBY-GOSISDBHSA-N 0 3 404.511 1.194 50 0 HDAAHN O=C1CCCN1CCN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299778005 568874823 /nfs/dbraw/zinc/87/48/23/568874823.db2.gz LYMRLSHMLJMTRC-FQEVSTJZSA-N 0 3 419.497 1.519 50 0 HDAAHN O=C(NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1ccc(F)cc1F ZINC000299790694 568875856 /nfs/dbraw/zinc/87/58/56/568875856.db2.gz CJLWMKKQKQDFII-KRWDZBQOSA-N 0 3 407.461 1.939 50 0 HDAAHN O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCn2ccnc2)CC1 ZINC000299792803 568876049 /nfs/dbraw/zinc/87/60/49/568876049.db2.gz GMEHJZOVVRKMQP-FQEVSTJZSA-N 0 3 402.470 1.793 50 0 HDAAHN NC(=O)C1CCN(CCCNS(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000058017759 568876583 /nfs/dbraw/zinc/87/65/83/568876583.db2.gz PGJISAMZWSQOKE-UHFFFAOYSA-N 0 3 409.430 1.451 50 0 HDAAHN Cc1nnc(SCC(=O)N[C@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)s1 ZINC000670439360 568885451 /nfs/dbraw/zinc/88/54/51/568885451.db2.gz AYKFZTGCWOJLKQ-VDUSKEEQSA-N 0 3 415.588 1.622 50 0 HDAAHN Cc1cccc2nc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)CN(C4)CC5)cn21 ZINC000670450901 568926946 /nfs/dbraw/zinc/92/69/46/568926946.db2.gz CKDGKHHJTRHQAJ-NBTXJNEHSA-N 0 3 401.514 1.940 50 0 HDAAHN CC(C)C[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000004083609 568939391 /nfs/dbraw/zinc/93/93/91/568939391.db2.gz JBFBADKGGFXWLW-ZWOKBUDYSA-N 0 3 416.566 1.981 50 0 biogenic HDAAHN COc1cc(CNCCn2cnnc2C)cc(I)c1OC ZINC000084297237 568945569 /nfs/dbraw/zinc/94/55/69/568945569.db2.gz PKJCEOACGWKLIR-UHFFFAOYSA-N 0 3 402.236 1.998 50 0 HDAAHN CCc1c(C)nn(CC(=O)N[C@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)c1C ZINC000670464094 568960693 /nfs/dbraw/zinc/96/06/93/568960693.db2.gz PHRAFLKPYXCMDW-JWLIYLPMSA-N 0 3 407.562 1.746 50 0 HDAAHN CN(C)CCNC(=O)CCn1cnc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000064889108 569115914 /nfs/dbraw/zinc/11/59/14/569115914.db2.gz QGHIRMVWWBXORT-UHFFFAOYSA-N 0 3 407.540 1.279 50 0 HDAAHN CCCCN1CCN(Cc2nc3nc(C)cc(N4CCN(CC)CC4)n3n2)CC1 ZINC000065311657 569221040 /nfs/dbraw/zinc/22/10/40/569221040.db2.gz MYRJYFMAVLKBLN-UHFFFAOYSA-N 0 3 400.575 1.492 50 0 HDAAHN CN(C)CCNC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)no1 ZINC000065319231 569221890 /nfs/dbraw/zinc/22/18/90/569221890.db2.gz QQJRDZHZCMJQLR-UHFFFAOYSA-N 0 3 421.523 1.593 50 0 HDAAHN CC(=O)N1CCN(Cc2ccc(NC(=O)[C@H]3CCCN3C3CCOCC3)cc2)CC1 ZINC000170592317 569241102 /nfs/dbraw/zinc/24/11/02/569241102.db2.gz IUKIHJDWCQCRQR-JOCHJYFZSA-N 0 3 414.550 1.933 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000252571275 569294401 /nfs/dbraw/zinc/29/44/01/569294401.db2.gz XQZGFVDQBHBXOC-JKSUJKDBSA-N 0 3 416.478 1.421 50 0 HDAAHN COCCOCC(=O)N1CCC2(CC1)C[C@H](N1CCN(CC(C)C)CC1)CCO2 ZINC000581819755 569320802 /nfs/dbraw/zinc/32/08/02/569320802.db2.gz IIBXFHXECMMHQK-HXUWFJFHSA-N 0 3 411.587 1.463 50 0 HDAAHN CCCN1CCN(CCCNC(=O)CN2c3ccccc3O[C@H](CC)C2=O)CC1 ZINC000019359788 569420412 /nfs/dbraw/zinc/42/04/12/569420412.db2.gz SMUSYQLLDKQQOY-LJQANCHMSA-N 0 3 402.539 1.725 50 0 HDAAHN COC1CCN(CCNC(=O)[C@H](C)NC(=O)c2ccc(Br)s2)CC1 ZINC000079026234 569424894 /nfs/dbraw/zinc/42/48/94/569424894.db2.gz ZIIFNSFHQDVTIC-NSHDSACASA-N 0 3 418.357 1.856 50 0 HDAAHN CCN(CC)C[C@@H](NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1ccccc1 ZINC000040069651 571150186 /nfs/dbraw/zinc/15/01/86/571150186.db2.gz VLAUGNODLRCSPT-GOSISDBHSA-N 0 3 409.490 1.445 50 0 HDAAHN Cc1cc2nc3sc(C(=O)NCCCN4CCN(C)CC4)cc(=O)n3c2cc1C ZINC000033009072 571315651 /nfs/dbraw/zinc/31/56/51/571315651.db2.gz RZUGNQKKXBJOON-UHFFFAOYSA-N 0 3 413.547 1.893 50 0 HDAAHN Cc1cc(C(=O)NCC2CCN(C(=O)CN3CCCN(C)CC3)CC2)cc(C)n1 ZINC000823778389 1076212649 /nfs/dbraw/zinc/21/26/49/1076212649.db2.gz SKWLQDGLVILCRU-UHFFFAOYSA-N 0 3 401.555 1.304 50 0 HDAAHN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ccncc3)CC2)C1=O ZINC000008122321 132327485 /nfs/dbraw/zinc/32/74/85/132327485.db2.gz VBHABMPIMUTARU-QHCPKHFHSA-N 0 3 421.501 1.674 50 0 HDAAHN CCOC(=O)C1CCN(C2CCN(c3nc4nonc4nc3N(C)C)CC2)CC1 ZINC000011839244 132351356 /nfs/dbraw/zinc/35/13/56/132351356.db2.gz ZIOATRICLLAKFU-UHFFFAOYSA-N 0 3 403.487 1.323 50 0 HDAAHN COc1cc(C)c(CN(C)CCn2cc(C(=O)N3CCN(C)CC3)nn2)cc1C ZINC000020542812 522190791 /nfs/dbraw/zinc/19/07/91/522190791.db2.gz DHMOJCVJURYVHL-UHFFFAOYSA-N 0 3 400.527 1.423 50 0 HDAAHN CN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccc2c(c1)OCO2 ZINC000032870853 522677167 /nfs/dbraw/zinc/67/71/67/522677167.db2.gz RXYPIUFRCZFXEJ-UHFFFAOYSA-N 0 3 419.503 1.244 50 0 HDAAHN CC(C(=O)NCc1ccccc1)S(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000032929550 524213932 /nfs/dbraw/zinc/21/39/32/524213932.db2.gz WLQFKXBPTZJILR-HNNXBMFYSA-N 0 3 424.544 1.557 50 0 HDAAHN O=C(CCN(CCCN1CCCC1)S(=O)(=O)c1cccs1)N1CCNCC1 ZINC000045945186 526473939 /nfs/dbraw/zinc/47/39/39/526473939.db2.gz MRMRMNCIDNATFJ-UHFFFAOYSA-N 0 3 414.597 1.047 50 0 HDAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)CC1 ZINC000012586186 526849787 /nfs/dbraw/zinc/84/97/87/526849787.db2.gz LEHVBJSOPUVJQC-QGZVFWFLSA-N 0 3 404.555 1.500 50 0 HDAAHN Cc1ccc(N2C(=O)C[C@H](NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1Cl ZINC000001308239 557254943 /nfs/dbraw/zinc/25/49/43/557254943.db2.gz XXTCHQYCFPCHIN-KRWDZBQOSA-N 0 3 421.906 1.760 50 0 HDAAHN COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CN(C)Cc2nc(C)c[nH]2)c1 ZINC000020149064 558340161 /nfs/dbraw/zinc/34/01/61/558340161.db2.gz YQALIZOLSPXAGU-IBGZPJMESA-N 0 3 418.538 1.555 50 0 HDAAHN COc1cccc(CN(C)CCn2ccnc2C)c1OC[C@@H](O)CN1CCOCC1 ZINC000020205082 558346469 /nfs/dbraw/zinc/34/64/69/558346469.db2.gz HXGUCSMZFIEMRG-FQEVSTJZSA-N 0 3 418.538 1.404 50 0 HDAAHN CN1CCC(N2CCN(Cc3cnn(-c4ccccc4F)c3)C[C@@H]2CCO)CC1 ZINC000020998556 558427398 /nfs/dbraw/zinc/42/73/98/558427398.db2.gz FHWOMFKNLHCRNF-FQEVSTJZSA-N 0 3 401.530 1.974 50 0 HDAAHN COc1cc(CN(C)Cc2cnn(C)c2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000012582767 558433142 /nfs/dbraw/zinc/43/31/42/558433142.db2.gz POISODKGWGPARE-IBGZPJMESA-N 0 3 420.579 1.849 50 0 HDAAHN COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CN(C)Cc2nonc2C)c1 ZINC000012591077 558435738 /nfs/dbraw/zinc/43/57/38/558435738.db2.gz FJEKKZKDICZFOB-SFHVURJKSA-N 0 3 420.510 1.215 50 0 HDAAHN CCOC(=O)CNC(=O)N1CCC[C@@H](N(C)CCc2ccc(OC)c(OC)c2)C1 ZINC000012702548 558448252 /nfs/dbraw/zinc/44/82/52/558448252.db2.gz VUYGGJVQZDUWRI-QGZVFWFLSA-N 0 3 407.511 1.915 50 0 HDAAHN CCN1CCN(CCNC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)CC1 ZINC000022936557 558672899 /nfs/dbraw/zinc/67/28/99/558672899.db2.gz HMLFYBKOUAQCMV-UHFFFAOYSA-N 0 3 415.513 1.812 50 0 HDAAHN CCN1CCN(CCNC(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)CC1 ZINC000022937146 558678907 /nfs/dbraw/zinc/67/89/07/558678907.db2.gz JEFOPTJIBZAETR-QGZVFWFLSA-N 0 3 417.583 1.299 50 0 HDAAHN O=S(=O)(c1ccc(NC(=S)NCCN2CCCCC2)cc1)N1CCOCC1 ZINC000017089353 558818033 /nfs/dbraw/zinc/81/80/33/558818033.db2.gz KKNNXCRQVFZCEO-UHFFFAOYSA-N 0 3 412.581 1.480 50 0 HDAAHN CCCN1CCN(CCCNC(=O)CSc2nc3ccccc3n(C)c2=O)CC1 ZINC000033006648 558827831 /nfs/dbraw/zinc/82/78/31/558827831.db2.gz IJSZCYKYLANNHM-UHFFFAOYSA-N 0 3 417.579 1.560 50 0 HDAAHN COc1cc(CN2CCN(C3CCN(C(C)=O)CC3)C[C@@H]2CCO)cc(OC)c1 ZINC000019223191 558852394 /nfs/dbraw/zinc/85/23/94/558852394.db2.gz ZJTRYIBEPRQIAN-FQEVSTJZSA-N 0 3 405.539 1.583 50 0 HDAAHN CN1CCCN(c2ccc(CNC(=O)CCN3C(=O)c4ccccc4C3=O)cn2)CC1 ZINC000058101044 558898907 /nfs/dbraw/zinc/89/89/07/558898907.db2.gz ZVUREWZKTVBEPR-UHFFFAOYSA-N 0 3 421.501 1.526 50 0 HDAAHN CN1CCN(CCCNC(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000033060335 558954651 /nfs/dbraw/zinc/95/46/51/558954651.db2.gz LWVHCUYGAYAFHX-UHFFFAOYSA-N 0 3 422.942 1.811 50 0 HDAAHN CN(C)CCNC(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)c1=O ZINC000033068538 558963292 /nfs/dbraw/zinc/96/32/92/558963292.db2.gz APWIWCRTIBHROS-UHFFFAOYSA-N 0 3 414.893 1.543 50 0 HDAAHN CCN1CCN(Cc2ccc(C(=O)NCCN3CCCCCC3)cc2)C(=O)C1=O ZINC000065130572 558970275 /nfs/dbraw/zinc/97/02/75/558970275.db2.gz KQIMVQOGAAABPZ-UHFFFAOYSA-N 0 3 400.523 1.483 50 0 HDAAHN CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000067601947 558987694 /nfs/dbraw/zinc/98/76/94/558987694.db2.gz PVTMBTQHKYOSTH-SFHVURJKSA-N 0 3 423.579 1.838 50 0 HDAAHN Cc1cn2cc(CNC(=O)c3ccc(CN4CCC[C@](C)(O)C4)[nH]c3=O)nc2s1 ZINC000077354324 559002165 /nfs/dbraw/zinc/00/21/65/559002165.db2.gz MTJMYOYQSHCELI-FQEVSTJZSA-N 0 3 415.519 1.669 50 0 HDAAHN Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(C(C)(C)C)=NN3CCN1CCCCC1 ZINC000005148161 559252972 /nfs/dbraw/zinc/25/29/72/559252972.db2.gz BNSHSCUNFPIMCJ-UHFFFAOYSA-N 0 3 401.515 1.142 50 0 HDAAHN COCCn1c(=O)[nH]c(=O)c2c1NC(=O)CC2C(=O)Nc1cccc(SC)c1 ZINC000061719420 560536133 /nfs/dbraw/zinc/53/61/33/560536133.db2.gz YPMRNJSZSQVPHE-LBPRGKRZSA-N 0 3 404.448 1.619 50 0 HDAAHN CC(C)N1CCN([C@@H]2CCOC3(CCN(S(=O)(=O)c4cccnc4)CC3)C2)CC1 ZINC000575317735 560855599 /nfs/dbraw/zinc/85/55/99/560855599.db2.gz ZMCHOPYASYYTNK-LJQANCHMSA-N 0 3 422.595 1.810 50 0 HDAAHN CC(C)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000048325506 568438644 /nfs/dbraw/zinc/43/86/44/568438644.db2.gz SIGDKPILQOTUFO-UHFFFAOYSA-N 0 3 407.458 1.879 50 0 HDAAHN COc1ccccc1CN1CCC(CN2CNc3c(c(=O)n(C)c(=O)n3C)C2)CC1 ZINC000020320205 568598910 /nfs/dbraw/zinc/59/89/10/568598910.db2.gz FHIDLSKHYNAXPS-UHFFFAOYSA-N 0 3 413.522 1.190 50 0 HDAAHN COc1cccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)NCCN(C)C)C3)no2)c1 ZINC000096210406 568704457 /nfs/dbraw/zinc/70/44/57/568704457.db2.gz OUEBZIKXLJIECL-MRXNPFEDSA-N 0 3 400.479 1.880 50 0 HDAAHN C[C@@H]1CCCN(c2nn3c(ncc(C(=O)NCCN4CCCCC4)c3=O)s2)C1 ZINC000021537627 568712687 /nfs/dbraw/zinc/71/26/87/568712687.db2.gz ZNDSRNVNWHTQGN-CQSZACIVSA-N 0 3 404.540 1.603 50 0 HDAAHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000028070245 568779088 /nfs/dbraw/zinc/77/90/88/568779088.db2.gz ZBWITZHDIFBIKZ-UHFFFAOYSA-N 0 3 405.543 1.086 50 0 HDAAHN COc1ncccc1C(=O)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 ZINC000299755348 568872586 /nfs/dbraw/zinc/87/25/86/568872586.db2.gz HUMXHXZDBRWUEM-KRWDZBQOSA-N 0 3 402.495 1.064 50 0 HDAAHN CCCc1cc(C(=O)NC[C@@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)n(C)n1 ZINC000299773473 568874368 /nfs/dbraw/zinc/87/43/68/568874368.db2.gz CDZCTVQCADBKQJ-LJQANCHMSA-N 0 3 417.554 1.347 50 0 HDAAHN O=C(COc1ccccc1)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 ZINC000299793500 568876043 /nfs/dbraw/zinc/87/60/43/568876043.db2.gz HJSDFMNTGBUMKW-FQEVSTJZSA-N 0 3 401.507 1.426 50 0 HDAAHN O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCn2ccnc2)CC1 ZINC000299792811 568876104 /nfs/dbraw/zinc/87/61/04/568876104.db2.gz GMEHJZOVVRKMQP-HXUWFJFHSA-N 0 3 402.470 1.793 50 0 HDAAHN COc1cc(OC)cc([C@H]2NC(=O)N(C)C3=C2C(=O)N(CCN2CCCCC2)C3)c1 ZINC000004143837 568916248 /nfs/dbraw/zinc/91/62/48/568916248.db2.gz RBCLBTHTGDDKOZ-HXUWFJFHSA-N 0 3 414.506 1.982 50 0 HDAAHN C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1 ZINC000012766425 568948579 /nfs/dbraw/zinc/94/85/79/568948579.db2.gz IWFDAPJVGMECFP-CQSZACIVSA-N 0 3 401.479 1.530 50 0 HDAAHN COCCN1CCc2c(cccc2-n2nnc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2C)C1 ZINC000229570194 568951473 /nfs/dbraw/zinc/95/14/73/568951473.db2.gz QNDALPRURNGTNL-HOTGVXAUSA-N 0 3 413.522 1.830 50 0 HDAAHN CCc1c(C)nn(CC(=O)N[C@@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)c1C ZINC000670464095 568960664 /nfs/dbraw/zinc/96/06/64/568960664.db2.gz PHRAFLKPYXCMDW-PAHOBDAQSA-N 0 3 407.562 1.746 50 0 HDAAHN O=C(c1cc(=O)nc2sc(N3CCCC3)nn21)N1CCC(N2CCCCC2)CC1 ZINC000035377864 569034455 /nfs/dbraw/zinc/03/44/55/569034455.db2.gz RCNOBXQNLMRRCW-UHFFFAOYSA-N 0 3 416.551 1.842 50 0 HDAAHN Cc1ccccc1S(=O)(=O)N(CCC(=O)N1CCNCC1)CCN1CCCCC1 ZINC000035401494 569035370 /nfs/dbraw/zinc/03/53/70/569035370.db2.gz XUHBRBXCYLCTLA-UHFFFAOYSA-N 0 3 422.595 1.294 50 0 HDAAHN C[C@H](C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1)n1nnnc1C(C)(C)C ZINC000222182088 569039732 /nfs/dbraw/zinc/03/97/32/569039732.db2.gz PHBJJIZLVQYXDD-GDBMZVCRSA-N 0 3 413.526 1.868 50 0 HDAAHN CN(CCNC(=O)N1CCCN(C(=O)C(F)(F)F)CC1)CCc1ccccc1 ZINC000426590000 569073453 /nfs/dbraw/zinc/07/34/53/569073453.db2.gz PNNSCNJLMYHUME-UHFFFAOYSA-N 0 3 400.445 1.967 50 0 HDAAHN Cc1noc(C)c1CN1CCc2c(C(=O)N(CCO)CCN(C)C)csc2C1 ZINC000426669171 569073839 /nfs/dbraw/zinc/07/38/39/569073839.db2.gz VYZMTALPSGZVCE-UHFFFAOYSA-N 0 3 406.552 1.907 50 0 HDAAHN COc1ccc(-c2cc(C(=O)N[C@H](C(=O)NCCN(C)C)C(C)C)no2)c(OC)c1 ZINC000035992487 569074792 /nfs/dbraw/zinc/07/47/92/569074792.db2.gz KHGIMWOEYKSNJQ-IBGZPJMESA-N 0 3 418.494 1.791 50 0 HDAAHN CCN(CC)CCn1c2sc3c(c2c(=O)n(CC(=O)OC)c1=O)CC(C)(C)OC3 ZINC000006759960 569113316 /nfs/dbraw/zinc/11/33/16/569113316.db2.gz YAPWGIXJAXXPSH-UHFFFAOYSA-N 0 3 423.535 1.591 50 0 HDAAHN CN(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)cnc1N1CCNCC1 ZINC000065025157 569156237 /nfs/dbraw/zinc/15/62/37/569156237.db2.gz JZYPOCZSOOWZDC-UHFFFAOYSA-N 0 3 403.508 1.135 50 0 HDAAHN CCCNc1cc(N2CCC(CCC(=O)NCCN3CCN(C)CC3)CC2)ncn1 ZINC000065274202 569214982 /nfs/dbraw/zinc/21/49/82/569214982.db2.gz LZDYVWLAVYBHGL-UHFFFAOYSA-N 0 3 417.602 1.659 50 0 HDAAHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000065591185 569236702 /nfs/dbraw/zinc/23/67/02/569236702.db2.gz JWDRMFIGJWVHJD-NSHDSACASA-N 0 3 411.421 1.710 50 0 HDAAHN Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCN1CCN(c2ccccc2)CC1 ZINC000007425509 569238138 /nfs/dbraw/zinc/23/81/38/569238138.db2.gz ARTGLBDUYMNIPE-UHFFFAOYSA-N 0 3 421.505 1.115 50 0 HDAAHN CCN(CC)CC(=O)N1CCN(Cc2ccc(OCCOCCOC)cc2)CC1 ZINC000170607417 569244714 /nfs/dbraw/zinc/24/47/14/569244714.db2.gz MIKAXDNWLNBBMC-UHFFFAOYSA-N 0 3 407.555 1.714 50 0 HDAAHN COc1ccccc1C(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1 ZINC000017012615 569271523 /nfs/dbraw/zinc/27/15/23/569271523.db2.gz DECMWASZOBNKFZ-UHFFFAOYSA-N 0 3 410.522 1.508 50 0 HDAAHN CCOC(=O)c1ccc(N2C(=O)C[C@H](NCCCN3CCN(CC)CC3)C2=O)cc1 ZINC000019848632 569431093 /nfs/dbraw/zinc/43/10/93/569431093.db2.gz SBTAXOZHZVWWOS-IBGZPJMESA-N 0 3 416.522 1.112 50 0 HDAAHN CCNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2C)ccc1N1CC[NH2+]CC1 ZINC000033275437 571315962 /nfs/dbraw/zinc/31/59/62/571315962.db2.gz KCAARRPEISSZGH-UHFFFAOYSA-N 0 3 402.520 1.955 50 0 HDAAHN O=C(CCN(CCN1CCCCC1)C(=O)c1ccc(F)c(F)c1)N1CCNCC1 ZINC000035422056 571316858 /nfs/dbraw/zinc/31/68/58/571316858.db2.gz UPNOQMVCFUQRKX-UHFFFAOYSA-N 0 3 408.493 1.715 50 0 HDAAHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1ccccc1 ZINC000009049233 132335185 /nfs/dbraw/zinc/33/51/85/132335185.db2.gz PPHWWJCJQDCCCJ-RTBURBONSA-N 0 3 407.474 1.610 50 0 HDAAHN Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)CCN2CCCC2)c1 ZINC000045944075 524186721 /nfs/dbraw/zinc/18/67/21/524186721.db2.gz UKEXEWPFOJKIIN-UHFFFAOYSA-N 0 3 422.595 1.212 50 0 HDAAHN CC[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(C4CCCC4)CC3)co2)CC1 ZINC000034677825 557365715 /nfs/dbraw/zinc/36/57/15/557365715.db2.gz UOASZJOGMCUAMU-LJQANCHMSA-N 0 3 419.570 1.264 50 0 HDAAHN CCN1CCN(CCNC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)CC1 ZINC000022936497 558672747 /nfs/dbraw/zinc/67/27/47/558672747.db2.gz VDAQWAAXIVYBDK-UHFFFAOYSA-N 0 3 416.478 1.341 50 0 HDAAHN COc1cc(CNCc2cnn(C)c2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000014960159 558683663 /nfs/dbraw/zinc/68/36/63/558683663.db2.gz IBKLHRFDDRNLBG-GOSISDBHSA-N 0 3 406.552 1.507 50 0 HDAAHN COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1 ZINC000015671247 558748190 /nfs/dbraw/zinc/74/81/90/558748190.db2.gz AUYKDMIVLNTYAZ-UHFFFAOYSA-N 0 3 417.535 1.905 50 0 HDAAHN CCOc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1 ZINC000015671224 558748312 /nfs/dbraw/zinc/74/83/12/558748312.db2.gz SUQTXXOHBBAYPC-UHFFFAOYSA-N 0 3 405.524 1.761 50 0 HDAAHN COc1cccc(-c2noc3c(O)n(-c4ccc5c(c4)OCCO5)c(O)c23)c1OC ZINC000016033865 558769285 /nfs/dbraw/zinc/76/92/85/558769285.db2.gz SHOCKRJNZFYLNQ-LPHOPBHVSA-N 0 3 410.382 1.768 50 0 HDAAHN Cc1ccnc(N2CCC[C@@H](C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)C2)n1 ZINC000035454359 558792089 /nfs/dbraw/zinc/79/20/89/558792089.db2.gz BSZJRNVCAMVXRW-GOSISDBHSA-N 0 3 414.554 1.334 50 0 HDAAHN COc1cccc(CN(C)CCc2cnn(C)c2)c1OC[C@H](O)CN1CCOCC1 ZINC000039478304 558821711 /nfs/dbraw/zinc/82/17/11/558821711.db2.gz QTFZPCJCPQNWGG-HXUWFJFHSA-N 0 3 418.538 1.175 50 0 HDAAHN C[C@H]1CCCCN1CCNC(=O)CCc1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000033062708 558956219 /nfs/dbraw/zinc/95/62/19/558956219.db2.gz HYFASSUZEOEYEW-INIZCTEOSA-N 0 3 420.535 1.967 50 0 HDAAHN CN1CCC(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)CC1 ZINC000065362353 558973001 /nfs/dbraw/zinc/97/30/01/558973001.db2.gz CXAGYXBUGUTCTE-UHFFFAOYSA-N 0 3 404.330 1.426 50 0 HDAAHN Cc1ccc(F)cc1S(=O)(=O)NCCNc1cc(N2CCOCC2)nc(C)n1 ZINC000067604039 558988410 /nfs/dbraw/zinc/98/84/10/558988410.db2.gz KOZMKZPJLREXTH-UHFFFAOYSA-N 0 3 409.487 1.460 50 0 HDAAHN COc1cccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c1 ZINC000067613985 558989418 /nfs/dbraw/zinc/98/94/18/558989418.db2.gz NFOJGCNRPDNRHS-UHFFFAOYSA-N 0 3 407.496 1.021 50 0 HDAAHN CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)CC1 ZINC000067630276 558990497 /nfs/dbraw/zinc/99/04/97/558990497.db2.gz QJAGLBNFZYTELY-UHFFFAOYSA-N 0 3 424.567 1.617 50 0 HDAAHN CN(C)CCNC(=O)Cn1c(Cc2ccccc2)nn(-c2ccc(Cl)cc2)c1=O ZINC000077454470 559005648 /nfs/dbraw/zinc/00/56/48/559005648.db2.gz HJVJTXGPYNLEQK-UHFFFAOYSA-N 0 3 413.909 1.956 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2cc(C)[nH]c(=O)c2)CC1 ZINC000095519610 559084913 /nfs/dbraw/zinc/08/49/13/559084913.db2.gz CFBCJJBCAJQZDF-IBGZPJMESA-N 0 3 402.539 1.916 50 0 HDAAHN O=C(NCCc1nc2ccccc2s1)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 ZINC000096141443 559095622 /nfs/dbraw/zinc/09/56/22/559095622.db2.gz ZHNDVMDOGVXFHY-CABCVRRESA-N 0 3 402.520 1.040 50 0 HDAAHN CCN1CCN(CCCN[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000101814152 560802353 /nfs/dbraw/zinc/80/23/53/560802353.db2.gz XCWLXRFMZJNTNF-KRWDZBQOSA-N 0 3 423.355 1.698 50 0 HDAAHN COCCC(=O)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000575560107 560855630 /nfs/dbraw/zinc/85/56/30/560855630.db2.gz WPFWWDZHPCZFAM-LJQANCHMSA-N 0 3 402.539 1.780 50 0 HDAAHN CN(C)CCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21 ZINC000012233346 568454539 /nfs/dbraw/zinc/45/45/39/568454539.db2.gz YEROMHOTEVXPPM-CQSZACIVSA-N 0 3 416.482 1.436 50 0 HDAAHN CC[C@H]1CCCCN1Cc1ccc(CN2CNc3c(c(=O)n(C)c(=O)n3C)C2)o1 ZINC000020320252 568598881 /nfs/dbraw/zinc/59/88/81/568598881.db2.gz AIFWKKCDAPVQNN-HNNXBMFYSA-N 0 3 401.511 1.827 50 0 HDAAHN CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCCN3CCCCC3)C2)CC1 ZINC000020389262 568603937 /nfs/dbraw/zinc/60/39/37/568603937.db2.gz RTYXKAGODPRMDG-SFHVURJKSA-N 0 3 400.589 1.277 50 0 HDAAHN CCN1CCN(CCCNC(=O)CCC(=O)N2CCOc3ccc(Cl)cc32)CC1 ZINC000020465993 568610366 /nfs/dbraw/zinc/61/03/66/568610366.db2.gz QZHBOWFNEMVGTF-UHFFFAOYSA-N 0 3 422.957 1.989 50 0 HDAAHN O=C(CN1C(=O)COc2ccccc21)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000020688194 568640294 /nfs/dbraw/zinc/64/02/94/568640294.db2.gz RNMUXJXDYNIQDQ-UHFFFAOYSA-N 0 3 422.529 1.736 50 0 HDAAHN C[C@@H]1[C@H](NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CCCN1C ZINC000096010238 568683778 /nfs/dbraw/zinc/68/37/78/568683778.db2.gz NFXLZIZQVZTWTK-IUODEOHRSA-N 0 3 418.357 1.716 50 0 HDAAHN CCN1CCN(CCNC(=O)c2ccc(CN3c4ccnn4CCC3=O)cc2)CC1 ZINC000021531105 568710872 /nfs/dbraw/zinc/71/08/72/568710872.db2.gz RABGNPIJMCWMOZ-UHFFFAOYSA-N 0 3 410.522 1.187 50 0 HDAAHN COC(=O)CC[C@H]1CN(Cc2cc(OC)c(O)c(OC)c2)CC[C@H]1N1CCOCC1 ZINC000014992645 568721756 /nfs/dbraw/zinc/72/17/56/568721756.db2.gz UNBMJKNDSOOFAY-ZWKOTPCHSA-N 0 3 422.522 1.885 50 0 HDAAHN COc1cccc(C2=NO[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@@H]3C(=O)N(CCN(C)C)C(=O)[C@H]23)c1OC ZINC000168120033 568829311 /nfs/dbraw/zinc/82/93/11/568829311.db2.gz PDGGZHFADDVANG-XDWVOIJPSA-N 0 3 413.474 1.235 50 0 HDAAHN COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CNCCc1ccccc1 ZINC000005935754 568830503 /nfs/dbraw/zinc/83/05/03/568830503.db2.gz PMGBELFMHZQDMS-UHFFFAOYSA-N 0 3 419.503 1.729 50 0 HDAAHN Cc1nc(CC(=O)NC[C@@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)cs1 ZINC000299756322 568872635 /nfs/dbraw/zinc/87/26/35/568872635.db2.gz GNZLPKVILDKLQB-GOSISDBHSA-N 0 3 406.552 1.355 50 0 HDAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccc2c(c1)OCC(=O)N2 ZINC000670448943 568921778 /nfs/dbraw/zinc/92/17/78/568921778.db2.gz QBRKEQJCRCTBCH-XAHYOPIXSA-N 0 3 418.497 1.315 50 0 HDAAHN Cn1nc(C(F)F)cc1C(=O)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670453458 568929031 /nfs/dbraw/zinc/92/90/31/568929031.db2.gz ONIIYPSTXOAUGB-UARVQCNDSA-N 0 3 401.461 1.655 50 0 HDAAHN Cc1cc(NC(=O)CN2CCC[C@@H]2CN2CCCCC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000084102010 568937770 /nfs/dbraw/zinc/93/77/70/568937770.db2.gz MADSUZUXPMRULE-MSOLQXFVSA-N 0 3 423.583 1.440 50 0 HDAAHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC(C)CC3)CC2)cc1 ZINC000012772718 568952791 /nfs/dbraw/zinc/95/27/91/568952791.db2.gz CGTJMTGYZCKCJD-UHFFFAOYSA-N 0 3 407.536 1.454 50 0 HDAAHN CCc1ccc([C@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)N(C)C)cc1 ZINC000012779799 568956706 /nfs/dbraw/zinc/95/67/06/568956706.db2.gz YHRQBZQBVFCZCV-SFHVURJKSA-N 0 3 405.520 1.938 50 0 HDAAHN COc1ccc(C)cc1S(=O)(=O)NCCNc1cc(N2CCOCC2)nc(C)n1 ZINC000038488315 568997469 /nfs/dbraw/zinc/99/74/69/568997469.db2.gz MREBNPNEQHYKQO-UHFFFAOYSA-N 0 3 421.523 1.329 50 0 HDAAHN O=C(CN(CCCN1CCCCC1)S(=O)(=O)c1cccs1)N1CCNCC1 ZINC000015864281 569016453 /nfs/dbraw/zinc/01/64/53/569016453.db2.gz QZFKNQXEQSJPOM-UHFFFAOYSA-N 0 3 414.597 1.047 50 0 HDAAHN CN(C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1)C1CCN(C)CC1 ZINC000050110101 569039361 /nfs/dbraw/zinc/03/93/61/569039361.db2.gz TXRNBNBHXZNNLE-MJGOQNOKSA-N 0 3 408.568 1.240 50 0 HDAAHN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@H](C(=O)NCCN(C)C)C2)c1C ZINC000035510147 569042026 /nfs/dbraw/zinc/04/20/26/569042026.db2.gz DODJNBDQYOXQCZ-KRWDZBQOSA-N 0 3 420.554 1.657 50 0 HDAAHN CN(C)CCNC(=O)CN1C(=O)CN(C(=O)Nc2ccc(F)cc2)c2ccccc21 ZINC000064971541 569139567 /nfs/dbraw/zinc/13/95/67/569139567.db2.gz TXZYEQIWCLRJGP-UHFFFAOYSA-N 0 3 413.453 1.889 50 0 HDAAHN CCN1CCN(CCCNC(=O)c2cnn3c2ncc2c3CC(C)(C)CC2=O)CC1 ZINC000064987474 569145082 /nfs/dbraw/zinc/14/50/82/569145082.db2.gz JIPNSGWUQIYHQD-UHFFFAOYSA-N 0 3 412.538 1.642 50 0 HDAAHN CCCNc1cc(N2CCC[C@@H](CCC(=O)NCCN3CCN(C)CC3)C2)ncn1 ZINC000065244911 569204956 /nfs/dbraw/zinc/20/49/56/569204956.db2.gz XSRNRCMSPONCBV-IBGZPJMESA-N 0 3 417.602 1.659 50 0 HDAAHN CCN1CCN(CCNC(=O)c2cn3ccnc(-c4ccc(OC)cc4)c3n2)CC1 ZINC000065274459 569215115 /nfs/dbraw/zinc/21/51/15/569215115.db2.gz NSSFILYZDQBSIA-UHFFFAOYSA-N 0 3 408.506 1.772 50 0 HDAAHN Cn1ncc(N2CCC[C@H](C(=O)NCCCN3CCc4ccccc4C3)C2)cc1=O ZINC000065313909 569222995 /nfs/dbraw/zinc/22/29/95/569222995.db2.gz PCOFNKDEOMISGL-FQEVSTJZSA-N 0 3 409.534 1.561 50 0 HDAAHN C[C@H](C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1)n1nnc(-c2ccccc2)n1 ZINC000170601434 569243246 /nfs/dbraw/zinc/24/32/46/569243246.db2.gz MQMPZNSQYGDVHE-JPYJTQIMSA-N 0 3 420.517 1.997 50 0 HDAAHN CCN1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000253535035 569382812 /nfs/dbraw/zinc/38/28/12/569382812.db2.gz FDYKSRFLVHUALH-IEBWSBKVSA-N 0 3 416.522 1.743 50 0 HDAAHN CCOC(=O)C1C(CN2CCN(C)CC2)=NC(=O)N[C@@H]1c1ccccc1OCC ZINC000067286835 571065214 /nfs/dbraw/zinc/06/52/14/571065214.db2.gz ONLWNBIOJYYUFM-LJQANCHMSA-N 0 3 402.495 1.504 50 0 HDAAHN CCOc1ccc(CC(=O)NCC(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 ZINC000008791920 571120173 /nfs/dbraw/zinc/12/01/73/571120173.db2.gz LXKFSIOPKHWHIA-UHFFFAOYSA-N 0 3 411.506 1.131 50 0 biogenic HDAAHN CCOC(=O)c1sc([N-]C(=O)C(=O)NCCC[NH+](C)C)c(C(=O)OCC)c1C ZINC000009183636 571234532 /nfs/dbraw/zinc/23/45/32/571234532.db2.gz YVOWQPBSMPRVHF-UHFFFAOYSA-N 0 3 413.496 1.416 50 0 HDAAHN Cc1cn2c3c(nc2n1CCCN1CCc2ccccc2C1)n(C)c(=O)n(C)c3=O ZINC000009421328 571257061 /nfs/dbraw/zinc/25/70/61/571257061.db2.gz SZRIIFQEVCMRON-UHFFFAOYSA-N 0 3 406.490 1.443 50 0 HDAAHN Cc1cc(C)cc(N2CCN(C(=O)c3cn(CCN4CCCCC4)nn3)CC2=O)c1 ZINC000011814019 132351028 /nfs/dbraw/zinc/35/10/28/132351028.db2.gz QNALWKYXGYGPFK-UHFFFAOYSA-N 0 3 410.522 1.870 50 0 HDAAHN CN(C)CCN1CCN(C(=O)c2csc(NC(=O)c3ccccc3F)n2)CC1 ZINC000040356024 521760269 /nfs/dbraw/zinc/76/02/69/521760269.db2.gz LSSWHDMTCKNRON-UHFFFAOYSA-N 0 3 405.499 1.854 50 0 HDAAHN COCC1CCN(Cc2ccc(OC)cc2OC[C@H](O)CN2CCN(C)CC2)CC1 ZINC000020537164 522935774 /nfs/dbraw/zinc/93/57/74/522935774.db2.gz ALZMQQHPVFEAIT-OAQYLSRUSA-N 0 3 421.582 1.541 50 0 HDAAHN CC[NH+](CC)CCN1c2ccc(C)cc2[C@]2(SC([N-]C(C)=O)=NN2C(C)=O)C1=O ZINC000002434103 557347036 /nfs/dbraw/zinc/34/70/36/557347036.db2.gz AWIQZFLTRWEGHB-FQEVSTJZSA-N 0 3 417.535 1.839 50 0 HDAAHN O[C@H](CNCc1ccco1)COc1ccc(OC[C@H](O)CNCc2ccco2)cc1 ZINC000004200642 557528430 /nfs/dbraw/zinc/52/84/30/557528430.db2.gz DEKFRJPLJRRDIF-QZTJIDSGSA-N 0 3 416.474 1.932 50 0 HDAAHN COc1cc(CNCCSc2nnnn2-c2ccccc2)ccc1OCC(N)=O ZINC000007540259 557746141 /nfs/dbraw/zinc/74/61/41/557746141.db2.gz SDTXCMLVNOMCAF-UHFFFAOYSA-N 0 3 414.491 1.417 50 0 HDAAHN O=C(CCC1CCN(C(=O)Cn2cncn2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000011814056 558278452 /nfs/dbraw/zinc/27/84/52/558278452.db2.gz KXRRLYGNNUQSOI-NRFANRHFSA-N 0 3 424.549 1.688 50 0 HDAAHN CCN(CCN1CCCCC1)C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000011874241 558292009 /nfs/dbraw/zinc/29/20/09/558292009.db2.gz HFRNYAMVRKIDDL-IBGZPJMESA-N 0 3 406.571 1.572 50 0 HDAAHN O=C(NCCc1nnc2n1CCN(Cc1cccc3cccnc31)CC2)[C@@H]1CCCO1 ZINC000020450760 558365530 /nfs/dbraw/zinc/36/55/30/558365530.db2.gz OKUZPZIWHHWHTQ-IBGZPJMESA-N 0 3 420.517 1.722 50 0 HDAAHN CC(C)(CNCc1c(C(=O)N2CCOCC2)nc2ccccn21)N1CCOCC1 ZINC000020776420 558412234 /nfs/dbraw/zinc/41/22/34/558412234.db2.gz QGEMUJGHXJAEOG-UHFFFAOYSA-N 0 3 401.511 1.007 50 0 HDAAHN COCC(=O)N1CCC(Oc2ccc(C(=O)NC[C@H]3CCCN(C)C3)cc2)CC1 ZINC000020863263 558417890 /nfs/dbraw/zinc/41/78/90/558417890.db2.gz DYVLHQFAZUZEES-QGZVFWFLSA-N 0 3 403.523 1.774 50 0 HDAAHN COc1cc(CN(C)Cc2cnn(C)c2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000012582774 558433153 /nfs/dbraw/zinc/43/31/53/558433153.db2.gz POISODKGWGPARE-LJQANCHMSA-N 0 3 420.579 1.849 50 0 HDAAHN COc1ccc([C@@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)N2CCCC2)cc1 ZINC000012792148 558466245 /nfs/dbraw/zinc/46/62/45/558466245.db2.gz MMFBEDWQOFWBNK-GOSISDBHSA-N 0 3 414.506 1.813 50 0 HDAAHN COCCn1nc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)ccc1=O ZINC000022516049 558493890 /nfs/dbraw/zinc/49/38/90/558493890.db2.gz MZVBIUOZJRYAAI-IBGZPJMESA-N 0 3 400.479 1.465 50 0 HDAAHN CCc1c(C(=O)NCCN2CCOCC2)c(=O)cc(C)n1CCN1CCCCC1 ZINC000014881551 558676276 /nfs/dbraw/zinc/67/62/76/558676276.db2.gz KCSDGAYGEUWWOS-UHFFFAOYSA-N 0 3 404.555 1.267 50 0 HDAAHN COc1ccc(CN2CCC[C@H](n3cc(C(=O)NCCCO)nn3)C2)c(C)c1C ZINC000015070775 558712574 /nfs/dbraw/zinc/71/25/74/558712574.db2.gz ZCHOCPANCFSHGK-SFHVURJKSA-N 0 3 401.511 1.853 50 0 HDAAHN Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1 ZINC000033318437 558766374 /nfs/dbraw/zinc/76/63/74/558766374.db2.gz YORCKGKTSCOIOM-UHFFFAOYSA-N 0 3 421.498 1.272 50 0 HDAAHN CCN1CCC(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000017089354 558818042 /nfs/dbraw/zinc/81/80/42/558818042.db2.gz ZIPVPDZXKVCQBJ-UHFFFAOYSA-N 0 3 412.581 1.478 50 0 HDAAHN O=C1N(CC2CCCCC2)CCC[C@@]1(O)CN1CCCN(c2ncccn2)CC1 ZINC000067967449 558862300 /nfs/dbraw/zinc/86/23/00/558862300.db2.gz HVWIOQLZYHXGRI-JOCHJYFZSA-N 0 3 401.555 1.923 50 0 HDAAHN CN1CCN(CCCNC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000033254505 558918426 /nfs/dbraw/zinc/91/84/26/558918426.db2.gz ILELAYGDKOXEQW-UHFFFAOYSA-N 0 3 422.595 1.231 50 0 HDAAHN Cc1nc(NCCNS(=O)(=O)c2ccccc2Cl)cc(N2CCOCC2)n1 ZINC000065364595 558975796 /nfs/dbraw/zinc/97/57/96/558975796.db2.gz MORLPXWHLHOIOA-UHFFFAOYSA-N 0 3 411.915 1.665 50 0 HDAAHN COc1ccc(CC(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)cc1 ZINC000067622631 558989884 /nfs/dbraw/zinc/98/98/84/558989884.db2.gz JBFRAYKSPRRBSJ-UHFFFAOYSA-N 0 3 424.549 1.437 50 0 HDAAHN C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCC[C@@H]1CN(C)C ZINC000097163837 558998342 /nfs/dbraw/zinc/99/83/42/558998342.db2.gz XYKTYDRICCBPMZ-QWHCGFSZSA-N 0 3 407.458 1.925 50 0 HDAAHN Cc1cn2cc(CNC(=O)c3ccc(CN4CCC[C@@](C)(O)C4)[nH]c3=O)nc2s1 ZINC000077354323 559002137 /nfs/dbraw/zinc/00/21/37/559002137.db2.gz MTJMYOYQSHCELI-HXUWFJFHSA-N 0 3 415.519 1.669 50 0 HDAAHN CCCCN1CCN([C@H](C(=O)N2CCCN(CC)CC2)c2ccccc2)C(=O)C1=O ZINC000077393314 559003711 /nfs/dbraw/zinc/00/37/11/559003711.db2.gz NNBIBWFGFWXFBS-FQEVSTJZSA-N 0 3 414.550 1.753 50 0 HDAAHN Cc1ncc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c(=O)[n-]1 ZINC000082096460 559037348 /nfs/dbraw/zinc/03/73/48/559037348.db2.gz GUGSNOZMZYUSPB-INIZCTEOSA-N 0 3 401.511 1.017 50 0 HDAAHN Cc1ncc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c(=O)[n-]1 ZINC000082096460 559037349 /nfs/dbraw/zinc/03/73/49/559037349.db2.gz GUGSNOZMZYUSPB-INIZCTEOSA-N 0 3 401.511 1.017 50 0 HDAAHN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1C[C@H](CO)[C@H](CN(C)CCO)C1 ZINC000092019380 559075164 /nfs/dbraw/zinc/07/51/64/559075164.db2.gz MFWGEBAFKRDTJX-RTBURBONSA-N 0 3 400.523 1.023 50 0 HDAAHN CN1CCN([C@H]2CCN(C(=O)c3cc(C(F)(F)F)n[nH]3)C[C@H]2CCCO)CC1 ZINC000095372105 559080421 /nfs/dbraw/zinc/08/04/21/559080421.db2.gz QKPJTIJRFZRPRA-HIFRSBDPSA-N 0 3 403.449 1.279 50 0 HDAAHN CN(C)CCn1c2c(c(SCC(=O)Nc3ccc4c(c3)OCO4)nc1=O)CCC2 ZINC000004851663 559191293 /nfs/dbraw/zinc/19/12/93/559191293.db2.gz KCWHASFBWJDAME-UHFFFAOYSA-N 0 3 416.503 1.753 50 0 HDAAHN COCCn1c(=O)[nH]c(=O)c2c1NC(=O)CC2C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000061717936 559292747 /nfs/dbraw/zinc/29/27/47/559292747.db2.gz ADFCKTBDSCXZLE-QMMMGPOBSA-N 0 3 412.324 1.314 50 0 HDAAHN COCCn1c(=O)[nH]c(=O)c2c1NC(=O)CC2C(=O)Nc1cccc(SC)c1 ZINC000061719419 560536078 /nfs/dbraw/zinc/53/60/78/560536078.db2.gz YPMRNJSZSQVPHE-GFCCVEGCSA-N 0 3 404.448 1.619 50 0 HDAAHN CCN(C(=O)CN1CCCCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003538925 560596252 /nfs/dbraw/zinc/59/62/52/560596252.db2.gz URFBUCQWVNJEGR-UHFFFAOYSA-N 0 3 413.522 1.786 50 0 HDAAHN COc1cccc(-c2noc3c(O)n(-c4ccc5c(c4)OCCO5)c(O)c23)c1OC ZINC000102893668 560833115 /nfs/dbraw/zinc/83/31/15/560833115.db2.gz SHOCKRJNZFYLNQ-VQIMIIECSA-N 0 3 410.382 1.768 50 0 HDAAHN CCOC(=O)[C@@H]1CCCN(c2c(=O)c(=O)c2NCCCN2C[C@@H](C)C[C@H](C)C2)C1 ZINC000103657652 560843715 /nfs/dbraw/zinc/84/37/15/560843715.db2.gz IPPKHPDKOSWXBU-YESZJQIVSA-N 0 3 405.539 1.842 50 0 HDAAHN C[C@@H](C1CC1)N(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 ZINC000031654069 568505222 /nfs/dbraw/zinc/50/52/22/568505222.db2.gz TUHSTPBPEUMTHD-HNNXBMFYSA-N 0 3 407.536 1.909 50 0 HDAAHN CCN1CCN(CCCNC(=O)c2cc3c(c4ccccc4n(C)c3=O)n2C)CC1 ZINC000020286278 568596927 /nfs/dbraw/zinc/59/69/27/568596927.db2.gz KJAMDJDNKGOJHZ-UHFFFAOYSA-N 0 3 409.534 1.788 50 0 HDAAHN CCN1CCN(CCCNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCC4)CC1 ZINC000020489139 568614120 /nfs/dbraw/zinc/61/41/20/568614120.db2.gz MGGSCXVNKNPXQT-UHFFFAOYSA-N 0 3 417.579 1.860 50 0 HDAAHN Cn1ncc2c1nc(N1CCN(Cc3ccccc3)CC1)nc2N1CCN(C)CC1 ZINC000021929775 568761592 /nfs/dbraw/zinc/76/15/92/568761592.db2.gz BGSMHPCCOSDEAL-UHFFFAOYSA-N 0 3 406.538 1.437 50 0 HDAAHN COCCN1CC[C@@H](N2CCCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)C1=O ZINC000097078215 568767575 /nfs/dbraw/zinc/76/75/75/568767575.db2.gz OSJYJXBVLRMKOL-QGZVFWFLSA-N 0 3 417.535 1.533 50 0 HDAAHN Cc1noc(C)c1CC(=O)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 ZINC000299758876 568873218 /nfs/dbraw/zinc/87/32/18/568873218.db2.gz LGYUQKUAYWVGBY-SFHVURJKSA-N 0 3 404.511 1.194 50 0 HDAAHN CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCN(C)CC1 ZINC000003310562 568878254 /nfs/dbraw/zinc/87/82/54/568878254.db2.gz RTOOYOJQUFWNMR-UHFFFAOYSA-N 0 3 415.943 1.527 50 0 HDAAHN COC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)[C@@H](N)CC(C)C)CC1 ZINC000004063277 568881706 /nfs/dbraw/zinc/88/17/06/568881706.db2.gz RHLDYWVJWRBWJF-OALUTQOASA-N 0 3 403.523 1.499 50 0 biogenic HDAAHN CCn1c2ccc(C(=O)NC[C@@H](c3ccc(OC)cc3)N(C)C)cc2[nH]c(=O)c1=O ZINC000003334497 568882680 /nfs/dbraw/zinc/88/26/80/568882680.db2.gz PGQWGEGZNZEROE-IBGZPJMESA-N 0 3 410.474 1.751 50 0 HDAAHN COc1cc(OC)cc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(CCN2CCCCC2)C3)c1 ZINC000004143816 568916133 /nfs/dbraw/zinc/91/61/33/568916133.db2.gz RBCLBTHTGDDKOZ-FQEVSTJZSA-N 0 3 414.506 1.982 50 0 HDAAHN COc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1OC ZINC000015671226 568961654 /nfs/dbraw/zinc/96/16/54/568961654.db2.gz UBJPDTCWBYOAGE-UHFFFAOYSA-N 0 3 421.523 1.379 50 0 HDAAHN CCN1CCC[C@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000015862689 569015976 /nfs/dbraw/zinc/01/59/76/569015976.db2.gz MXPOOYKTZNKVKM-IBGZPJMESA-N 0 3 422.595 1.292 50 0 HDAAHN CCN1CCC[C@@H]1CN(CC(=O)N1CCNCC1)C(=O)c1cccc(NC(C)=O)c1 ZINC000015864140 569016334 /nfs/dbraw/zinc/01/63/34/569016334.db2.gz QSCLQECXDRSLLH-HXUWFJFHSA-N 0 3 415.538 1.003 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000006798642 569126534 /nfs/dbraw/zinc/12/65/34/569126534.db2.gz AFPGVYRIAKOOLS-HNNXBMFYSA-N 0 3 406.556 1.482 50 0 HDAAHN CCNc1cc(N2CCC[C@@H](CCC(=O)NCCN3CCN(C)CC3)C2)ncn1 ZINC000065245129 569204817 /nfs/dbraw/zinc/20/48/17/569204817.db2.gz JHGLDSNHGGFEJG-SFHVURJKSA-N 0 3 403.575 1.269 50 0 HDAAHN CN1CCN(CCNC(=O)c2cccc(N3CCN[C@@H](c4ccccc4)C3)n2)CC1 ZINC000065256360 569208379 /nfs/dbraw/zinc/20/83/79/569208379.db2.gz WCSDFYPXZWGBNT-OAQYLSRUSA-N 0 3 408.550 1.210 50 0 HDAAHN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NC2CCN(C)CC2)CC3)CC1 ZINC000065273393 569216186 /nfs/dbraw/zinc/21/61/86/569216186.db2.gz MCPFOIIGZYRYQI-HNNXBMFYSA-N 0 3 405.568 1.127 50 0 HDAAHN CN(C)Cc1ccccc1CNC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000007065705 569217237 /nfs/dbraw/zinc/21/72/37/569217237.db2.gz PUHUOQCLAGDSAI-UHFFFAOYSA-N 0 3 408.502 1.921 50 0 HDAAHN CCN1CCN(c2cc(C)nc3nc(CN4CCN(CC(C)C)CC4)nn32)CC1 ZINC000065311658 569221047 /nfs/dbraw/zinc/22/10/47/569221047.db2.gz ZEPKTYXIBKKUFC-UHFFFAOYSA-N 0 3 400.575 1.348 50 0 HDAAHN C[C@H](C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1)n1nnc(-c2ccccc2)n1 ZINC000170601432 569243198 /nfs/dbraw/zinc/24/31/98/569243198.db2.gz MQMPZNSQYGDVHE-WZONZLPQSA-N 0 3 420.517 1.997 50 0 HDAAHN CC(C)N1CCN(c2ccc(C(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)cc2)CC1 ZINC000089885203 569267693 /nfs/dbraw/zinc/26/76/93/569267693.db2.gz XRRNSRLMFSMLOH-UHFFFAOYSA-N 0 3 413.522 1.373 50 0 HDAAHN CCN(C(=O)CN1C[C@H](C)C[C@@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013057133 569408169 /nfs/dbraw/zinc/40/81/69/569408169.db2.gz ISEFWOKZPQQBFR-HZPDHXFCSA-N 0 3 413.522 1.498 50 0 HDAAHN CCn1c(=O)[nH]c(=O)c2c(C(=O)NC[C@@H](C)N3CCC(C)CC3)cc(C3CC3)nc21 ZINC000078710767 569419789 /nfs/dbraw/zinc/41/97/89/569419789.db2.gz DBABXVMNJRCMMH-CQSZACIVSA-N 0 3 413.522 1.832 50 0 HDAAHN CCN1CCN(CCCNC(=O)CN2C(=O)COc3ccc(C(C)(C)C)cc32)CC1 ZINC000019361368 569420424 /nfs/dbraw/zinc/42/04/24/569420424.db2.gz TUZMATDTODALQN-UHFFFAOYSA-N 0 3 416.566 1.853 50 0 HDAAHN CCOC(=O)C1C(CN2CCN(C)CC2)=NC(=O)N[C@H]1c1ccccc1OCC ZINC000067286837 571065111 /nfs/dbraw/zinc/06/51/11/571065111.db2.gz ONLWNBIOJYYUFM-IBGZPJMESA-N 0 3 402.495 1.504 50 0 HDAAHN CCN1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C2=O ZINC000008769167 571116342 /nfs/dbraw/zinc/11/63/42/571116342.db2.gz UBUALBXYPZBCJJ-UHFFFAOYSA-N 0 3 414.384 1.930 50 0 HDAAHN COCCN1CCc2c(cccc2-n2nnc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2C)C1 ZINC000069815224 571245551 /nfs/dbraw/zinc/24/55/51/571245551.db2.gz QNDALPRURNGTNL-HZPDHXFCSA-N 0 3 413.522 1.830 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)Cn1ncn2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000009727369 571282600 /nfs/dbraw/zinc/28/26/00/571282600.db2.gz UPGGNSMMMWOYFM-INIZCTEOSA-N 0 3 410.478 1.167 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)c1nc(Cn2nc(-c3ccccc3)ccc2=O)no1 ZINC000040455197 521657783 /nfs/dbraw/zinc/65/77/83/521657783.db2.gz RMSJNADOPYVDHI-INIZCTEOSA-N 0 3 408.462 1.556 50 0 HDAAHN COc1cc(C(=O)N2CCC(CC(=O)NCCN(C)C)CC2)cc(OC)c1OC ZINC000032974250 522068621 /nfs/dbraw/zinc/06/86/21/522068621.db2.gz XOQLZJZTKPSYGI-UHFFFAOYSA-N 0 3 407.511 1.633 50 0 HDAAHN COc1ccccc1N1C(=O)C[C@H](N2CCC(C(N)=O)(N3CCCCC3)CC2)C1=O ZINC000001481082 557270120 /nfs/dbraw/zinc/27/01/20/557270120.db2.gz DZKHHEZFBBZFNF-KRWDZBQOSA-N 0 3 414.506 1.133 50 0 HDAAHN COc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1ccccc1F ZINC000008472254 557792280 /nfs/dbraw/zinc/79/22/80/557792280.db2.gz LDZXJUGHXSVAIR-UHFFFAOYSA-N 0 3 415.425 1.898 50 0 HDAAHN CCn1cc(CNCc2ccc(OC[C@H](O)CN3CCSCC3)c(OC)c2)cn1 ZINC000011813446 558277971 /nfs/dbraw/zinc/27/79/71/558277971.db2.gz RHIFZISYZWLNNB-LJQANCHMSA-N 0 3 420.579 1.990 50 0 HDAAHN COC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1ccccc1 ZINC000019818010 558288104 /nfs/dbraw/zinc/28/81/04/558288104.db2.gz NSAZRCMDPIAHQB-UXHICEINSA-N 0 3 406.486 1.821 50 0 HDAAHN COc1ccc(CN2CCCN(C=O)CC2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000012051258 558314121 /nfs/dbraw/zinc/31/41/21/558314121.db2.gz AWQYFUHXSSOWOY-FQEVSTJZSA-N 0 3 405.539 1.585 50 0 HDAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@H](C)NC(C)=O ZINC000012051756 558314441 /nfs/dbraw/zinc/31/44/41/558314441.db2.gz ZAGAWLKVUZQUJT-KRWDZBQOSA-N 0 3 405.539 1.907 50 0 HDAAHN O=C([C@@H]1CCC(=O)N(CCc2ccccn2)C1)N1CCC(N2CCSCC2)CC1 ZINC000012320036 558382027 /nfs/dbraw/zinc/38/20/27/558382027.db2.gz NHSWPGVLVFNPQD-GOSISDBHSA-N 0 3 416.591 1.903 50 0 HDAAHN COc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1 ZINC000021795238 558449626 /nfs/dbraw/zinc/44/96/26/558449626.db2.gz HWULDNUSJZLUAP-UHFFFAOYSA-N 0 3 412.494 1.984 50 0 HDAAHN COCCn1nc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)ccc1=O ZINC000022516044 558493934 /nfs/dbraw/zinc/49/39/34/558493934.db2.gz MZVBIUOZJRYAAI-LJQANCHMSA-N 0 3 400.479 1.465 50 0 HDAAHN COc1ccc(CN2CCC(CCO)CC2)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000023375370 558554853 /nfs/dbraw/zinc/55/48/53/558554853.db2.gz NEMIYFIDGWWJDF-NRFANRHFSA-N 0 3 421.582 1.277 50 0 HDAAHN CCN1CCN(CCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)CC1 ZINC000022937137 558678857 /nfs/dbraw/zinc/67/88/57/558678857.db2.gz TYUUAJZPYINAQC-UHFFFAOYSA-N 0 3 417.583 1.299 50 0 HDAAHN Cc1ccc(CCC2CCN(CC(=O)N3CCN(S(C)(=O)=O)CC3)CC2)cc1 ZINC000029168590 558711212 /nfs/dbraw/zinc/71/12/12/558711212.db2.gz XHWJESJMPKLTJM-UHFFFAOYSA-N 0 3 407.580 1.743 50 0 HDAAHN CCN1CCN(CCCNC(=O)c2ccccc2NC(=O)C2=CSCCO2)CC1 ZINC000022937731 558726037 /nfs/dbraw/zinc/72/60/37/558726037.db2.gz LVXSDFOKYKHAGG-UHFFFAOYSA-N 0 3 418.563 1.987 50 0 HDAAHN CN(CCN1CCCCCC1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000039420492 558821182 /nfs/dbraw/zinc/82/11/82/558821182.db2.gz ZCXGXNKOTMKXCX-LJQANCHMSA-N 0 3 406.571 1.572 50 0 HDAAHN COc1cccc(N2C(=O)C[C@H](N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)c1 ZINC000018250513 558834771 /nfs/dbraw/zinc/83/47/71/558834771.db2.gz VTQWDUXFSVNYKY-SFHVURJKSA-N 0 3 414.506 1.133 50 0 HDAAHN CC(=O)c1ccc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)nc1 ZINC000071524167 558904580 /nfs/dbraw/zinc/90/45/80/558904580.db2.gz FDBQHGINAXKQND-IBGZPJMESA-N 0 3 400.523 1.824 50 0 HDAAHN Cn1c2ccccc2n(CC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c1=O ZINC000033068427 558961947 /nfs/dbraw/zinc/96/19/47/558961947.db2.gz NPIVHKAHXZLMBF-UHFFFAOYSA-N 0 3 406.486 1.481 50 0 HDAAHN CN1CCC(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)CC1 ZINC000065365343 558976420 /nfs/dbraw/zinc/97/64/20/558976420.db2.gz GIIIXGKAYXYJNI-UHFFFAOYSA-N 0 3 404.330 1.426 50 0 HDAAHN C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]1CN(C)C ZINC000097163838 558998273 /nfs/dbraw/zinc/99/82/73/558998273.db2.gz XYKTYDRICCBPMZ-STQMWFEESA-N 0 3 407.458 1.925 50 0 HDAAHN CC(C)CN(C)Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(=O)[nH]1 ZINC000077378690 559002863 /nfs/dbraw/zinc/00/28/63/559002863.db2.gz VSLZXZMBEOYOQF-UHFFFAOYSA-N 0 3 406.508 1.040 50 0 HDAAHN CCN1CCN(CCN2CC3(CCN(C(=O)c4ccsc4)CC3)OC2=O)CC1 ZINC000077458558 559006012 /nfs/dbraw/zinc/00/60/12/559006012.db2.gz GXWFUAZQPZBFTF-UHFFFAOYSA-N 0 3 406.552 1.813 50 0 HDAAHN COCCN(C)CCN1CC2(CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)OC1=O ZINC000077471914 559006752 /nfs/dbraw/zinc/00/67/52/559006752.db2.gz VEWXJURCJDTCGI-UHFFFAOYSA-N 0 3 415.494 1.568 50 0 HDAAHN COCCN(C)CCN1CC2(CCN(C(=O)c3sc(C)nc3C)CC2)OC1=O ZINC000077523907 559008320 /nfs/dbraw/zinc/00/83/20/559008320.db2.gz ZRMWFFIZMHAAGZ-UHFFFAOYSA-N 0 3 410.540 1.765 50 0 HDAAHN O=C(NCCN1CCCCC1)c1cccc(S(=O)(=O)NCc2cccnc2)c1 ZINC000095373142 559080413 /nfs/dbraw/zinc/08/04/13/559080413.db2.gz CEAWUBYZJOWJPJ-UHFFFAOYSA-N 0 3 402.520 1.776 50 0 HDAAHN COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)N1CCCCC1)CC2 ZINC000095500904 559082224 /nfs/dbraw/zinc/08/22/24/559082224.db2.gz CEDBGHKEAQOSIV-MRXNPFEDSA-N 0 3 403.527 1.133 50 0 HDAAHN COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](C)N1CCCCC1)CC2 ZINC000095500904 559082226 /nfs/dbraw/zinc/08/22/26/559082226.db2.gz CEDBGHKEAQOSIV-MRXNPFEDSA-N 0 3 403.527 1.133 50 0 HDAAHN CCCn1c(N2CCN(CCCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000005147882 559252804 /nfs/dbraw/zinc/25/28/04/559252804.db2.gz HOSHSAWTFYQJJI-UHFFFAOYSA-N 0 3 410.522 1.588 50 0 HDAAHN CN(C)C[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)[C@@H](O)c1ccccc1 ZINC000048081007 568432074 /nfs/dbraw/zinc/43/20/74/568432074.db2.gz NDGSBEUPJQPSIZ-NQIIRXRSSA-N 0 3 413.522 1.951 50 0 HDAAHN CCN1CCN(CCCNC(=O)c2cn(C)c(=O)c3c2c2ccccc2n3C)CC1 ZINC000020137375 568590172 /nfs/dbraw/zinc/59/01/72/568590172.db2.gz HEXCZSQSTLNQMY-UHFFFAOYSA-N 0 3 409.534 1.788 50 0 HDAAHN Cc1cc(S(N)(=O)=O)cc(NC(=O)CN(CCN(C)C)c2ccccc2)c1C ZINC000095446711 568612084 /nfs/dbraw/zinc/61/20/84/568612084.db2.gz PRENKFSHUMZPMQ-UHFFFAOYSA-N 0 3 404.536 1.958 50 0 HDAAHN CCN1CCN(CCCNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)CC1 ZINC000021019291 568658193 /nfs/dbraw/zinc/65/81/93/568658193.db2.gz DFJNIYXXJDSPSJ-UHFFFAOYSA-N 0 3 418.563 1.987 50 0 HDAAHN COc1ncccc1C(=O)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 ZINC000299755350 568872689 /nfs/dbraw/zinc/87/26/89/568872689.db2.gz HUMXHXZDBRWUEM-QGZVFWFLSA-N 0 3 402.495 1.064 50 0 HDAAHN COc1ccc(C(=O)NC[C@@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)cc1 ZINC000299763017 568873336 /nfs/dbraw/zinc/87/33/36/568873336.db2.gz XZBOJKORQNGPOO-HXUWFJFHSA-N 0 3 401.507 1.669 50 0 HDAAHN Cc1cc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)ccc1[O-] ZINC000299780656 568874970 /nfs/dbraw/zinc/87/49/70/568874970.db2.gz AXXHNAIILKTHAT-FQEVSTJZSA-N 0 3 415.534 1.780 50 0 HDAAHN CC(C)CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)CC1 ZINC000001295114 568912786 /nfs/dbraw/zinc/91/27/86/568912786.db2.gz FAUUSMBDFLWWFI-UHFFFAOYSA-N 0 3 410.522 1.640 50 0 HDAAHN CCCC[NH+](CCCC)CCC(=O)[N-]N1S(=O)(=O)c2ccccc2S1(=O)=O ZINC000003583948 568917336 /nfs/dbraw/zinc/91/73/36/568917336.db2.gz IOKUJTUYVUSKOK-UHFFFAOYSA-N 0 3 417.553 1.703 50 0 HDAAHN COc1ccc([C@H](CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)N(C)C)cc1 ZINC000007989412 568966327 /nfs/dbraw/zinc/96/63/27/568966327.db2.gz XZZIBMRJSGREIU-KRWDZBQOSA-N 0 3 402.495 1.669 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)c1cc(=O)nc2sc(N3CCCCCC3)nn21 ZINC000015861446 569015576 /nfs/dbraw/zinc/01/55/76/569015576.db2.gz GDZKPHYIBLZKLN-AWEZNQCLSA-N 0 3 404.540 1.746 50 0 HDAAHN CCN1CCC[C@H]1CNC(=O)c1cc(=O)nc2sc(N3CCC(C)CC3)nn21 ZINC000015861442 569015614 /nfs/dbraw/zinc/01/56/14/569015614.db2.gz GRYNMDQSHWEDNQ-AWEZNQCLSA-N 0 3 404.540 1.601 50 0 HDAAHN Cc1cc(NC(=O)CN2CCC[C@H]2CN2CCCCC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000229281412 569040464 /nfs/dbraw/zinc/04/04/64/569040464.db2.gz MADSUZUXPMRULE-ZWKOTPCHSA-N 0 3 423.583 1.440 50 0 HDAAHN NS(=O)(=O)c1ccc(CCNCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000006530519 569063400 /nfs/dbraw/zinc/06/34/00/569063400.db2.gz OECPBOGBNGKJCX-UHFFFAOYSA-N 0 3 415.559 1.947 50 0 HDAAHN Cc1nc2c(c(C)c1CCC(=O)NCCN1CCCCCC1)c(=O)n(C)c(=O)n2C ZINC000006772870 569118208 /nfs/dbraw/zinc/11/82/08/569118208.db2.gz PLONDVRCGDLIID-UHFFFAOYSA-N 0 3 415.538 1.174 50 0 HDAAHN CCS(=O)(=O)Nc1cnc(N2CCNCC2)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000065025151 569156224 /nfs/dbraw/zinc/15/62/24/569156224.db2.gz KQTVTINFUSVDLL-UHFFFAOYSA-N 0 3 417.535 1.525 50 0 HDAAHN CC1CCN(S(=O)(=O)c2ccc(-c3noc(C(=O)NCCN(C)C)n3)cc2)CC1 ZINC000065319185 569221911 /nfs/dbraw/zinc/22/19/11/569221911.db2.gz XTGZJUKAXHURDW-UHFFFAOYSA-N 0 3 421.523 1.449 50 0 HDAAHN COc1cccc(C(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)c1 ZINC000017012501 569271518 /nfs/dbraw/zinc/27/15/18/569271518.db2.gz PTOITAYTMHADAJ-UHFFFAOYSA-N 0 3 410.522 1.508 50 0 HDAAHN COC(=O)CNC(=O)Cc1ccc(NC(=O)N(CCN(C)C)C2CCCC2)cc1 ZINC000079052590 569425717 /nfs/dbraw/zinc/42/57/17/569425717.db2.gz FWGHAVQVCUWPTN-UHFFFAOYSA-N 0 3 404.511 1.856 50 0 HDAAHN CN(C)C[C@@H](O)COc1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000079066763 569426575 /nfs/dbraw/zinc/42/65/75/569426575.db2.gz LJVBCERZVHTEPW-IFMALSPDSA-N 0 3 413.518 1.827 50 0 HDAAHN CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000067287127 571064931 /nfs/dbraw/zinc/06/49/31/571064931.db2.gz DQFMPJKOAPYFDO-LJQANCHMSA-N 0 3 402.495 1.504 50 0 HDAAHN CCOC(=O)C1C(CN2CCN(C)CC2)=NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286958 571065171 /nfs/dbraw/zinc/06/51/71/571065171.db2.gz OIQDJTGWABPUML-SFHVURJKSA-N 0 3 404.536 1.827 50 0 HDAAHN CCOC(=O)C1C(CN2CCN(C)CC2)=NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000067287690 571065779 /nfs/dbraw/zinc/06/57/79/571065779.db2.gz CNGOSRARIPZKNX-IBGZPJMESA-N 0 3 402.495 1.504 50 0 HDAAHN Cn1c2nc3n(c2c(=O)n(CCN2CCCCC2)c1=O)CCCN3C1CCCCC1 ZINC000009156880 571231932 /nfs/dbraw/zinc/23/19/32/571231932.db2.gz KRBMDSVXIFHFCO-UHFFFAOYSA-N 0 3 414.554 1.925 50 0 HDAAHN O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1)N1CCN(C2CCCC2)CC1 ZINC000012438966 1073962414 /nfs/dbraw/zinc/96/24/14/1073962414.db2.gz KIAOWDLWCWWRDH-HXUWFJFHSA-N 0 3 402.514 1.603 50 0 HDAAHN CCN(CC)CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cc(C)ccc1C ZINC000045944176 520643951 /nfs/dbraw/zinc/64/39/51/520643951.db2.gz PBNKDVKAMQJYEF-UHFFFAOYSA-N 0 3 424.611 1.458 50 0 HDAAHN CCN1CCN([C@H](C)CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)CC1 ZINC000032594180 521694110 /nfs/dbraw/zinc/69/41/10/521694110.db2.gz RGAUIZHBNBNMLP-OAHLLOKOSA-N 0 3 400.479 1.869 50 0 HDAAHN CCc1ccc(S(=O)(=O)N(CCCN2CCCC2)CC(=O)N2CCNCC2)cc1 ZINC000045974735 524010573 /nfs/dbraw/zinc/01/05/73/524010573.db2.gz VLFRFGQBZUHXMI-UHFFFAOYSA-N 0 3 422.595 1.157 50 0 HDAAHN C[C@@H]1CCCCN1CCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(F)c1 ZINC000045966913 524106387 /nfs/dbraw/zinc/10/63/87/524106387.db2.gz PTEQJJBOAFDMDM-GOSISDBHSA-N 0 3 404.530 1.964 50 0 HDAAHN O=C(CCNC(=O)c1ccc(F)c(F)c1)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008738395 557803270 /nfs/dbraw/zinc/80/32/70/557803270.db2.gz PBEMKVYGCZCJIE-UHFFFAOYSA-N 0 3 403.433 1.471 50 0 HDAAHN C[C@@H](NC(=O)c1ccc(F)c(F)c1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008744222 557804294 /nfs/dbraw/zinc/80/42/94/557804294.db2.gz YBJCGHBXEDJUGC-GFCCVEGCSA-N 0 3 403.433 1.470 50 0 HDAAHN COc1cc(CNCCOc2ccccc2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000012076764 558320173 /nfs/dbraw/zinc/32/01/73/558320173.db2.gz VBMYEWAETJRGPP-FQEVSTJZSA-N 0 3 416.518 1.936 50 0 HDAAHN CCn1c(N2CCN(Cc3cccc4ccccc43)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000020052260 558328640 /nfs/dbraw/zinc/32/86/40/558328640.db2.gz SBDBTHGUNAWJEP-UHFFFAOYSA-N 0 3 418.501 1.919 50 0 HDAAHN C(C1CCN(c2nc3nonc3nc2N2CCSCC2)CC1)N1CCOCC1 ZINC000020877735 558419262 /nfs/dbraw/zinc/41/92/62/558419262.db2.gz VVFUKNJIAAMNSF-UHFFFAOYSA-N 0 3 405.528 1.115 50 0 HDAAHN COc1ccc2c(c1)c(CN1CCC(C(=O)NCCN3CCOCC3)CC1)cn2C ZINC000065060032 558599015 /nfs/dbraw/zinc/59/90/15/558599015.db2.gz HMLWOIVUIRFYFF-UHFFFAOYSA-N 0 3 414.550 1.847 50 0 HDAAHN Cn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@@H](NCc1ccc(F)cc1)C2 ZINC000014747806 558669771 /nfs/dbraw/zinc/66/97/71/558669771.db2.gz OEWYYMWYIODYHO-GOSISDBHSA-N 0 3 415.513 1.268 50 0 HDAAHN Cc1ccnc(N2CCC[C@H](C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)C2)n1 ZINC000035454355 558792046 /nfs/dbraw/zinc/79/20/46/558792046.db2.gz BSZJRNVCAMVXRW-SFHVURJKSA-N 0 3 414.554 1.334 50 0 HDAAHN COc1ccc(CN(C)Cc2ccccn2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000019334506 558869560 /nfs/dbraw/zinc/86/95/60/558869560.db2.gz KNPWXGFGVNLJMI-OAQYLSRUSA-N 0 3 414.550 1.709 50 0 HDAAHN O=C(NCCN1CCCC1)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl ZINC000033131485 558887925 /nfs/dbraw/zinc/88/79/25/558887925.db2.gz YYDBHVVSMONYQK-UHFFFAOYSA-N 0 3 417.984 1.903 50 0 HDAAHN CN1C(=O)c2ccc(NC(=O)NCc3ccc(N4CCCN(C)CC4)nc3)cc2C1=O ZINC000058168176 558907611 /nfs/dbraw/zinc/90/76/11/558907611.db2.gz GISNHQBJEDWOBH-UHFFFAOYSA-N 0 3 422.489 1.771 50 0 HDAAHN O=C(c1cccc([O-])c1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071746575 558908474 /nfs/dbraw/zinc/90/84/74/558908474.db2.gz OTULCGOWLGQGKL-GOSISDBHSA-N 0 3 401.507 1.568 50 0 HDAAHN O=C(c1cccc([O-])c1)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071746575 558908476 /nfs/dbraw/zinc/90/84/76/558908476.db2.gz OTULCGOWLGQGKL-GOSISDBHSA-N 0 3 401.507 1.568 50 0 HDAAHN O=C(C(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1)c1ccco1 ZINC000071755391 558909519 /nfs/dbraw/zinc/90/95/19/558909519.db2.gz XXDIDSHXUCUPPO-MRXNPFEDSA-N 0 3 403.479 1.024 50 0 HDAAHN Cc1cc(C)c(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c(C)c1 ZINC000065364367 558975606 /nfs/dbraw/zinc/97/56/06/558975606.db2.gz VWVKXMHLKJMHKU-UHFFFAOYSA-N 0 3 419.551 1.937 50 0 HDAAHN COc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c1 ZINC000065364540 558975806 /nfs/dbraw/zinc/97/58/06/558975806.db2.gz VJOMZDGDAKDOEF-UHFFFAOYSA-N 0 3 417.535 1.905 50 0 HDAAHN COc1ccc(N([C@@H](C)C(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1Cl ZINC000065365036 558976134 /nfs/dbraw/zinc/97/61/34/558976134.db2.gz IXFXCHCGMRYINI-LBPRGKRZSA-N 0 3 403.932 1.714 50 0 HDAAHN COCCN(C)CCN1CC2(CCN(Cc3cccc4nonc43)CC2)OC1=O ZINC000072429472 558979213 /nfs/dbraw/zinc/97/92/13/558979213.db2.gz ATQYSHOWKBVKKE-UHFFFAOYSA-N 0 3 403.483 1.588 50 0 HDAAHN Cc1nc(NCCNC(=O)c2ccc(Br)o2)cc(N2CCOCC2)n1 ZINC000067621120 558989736 /nfs/dbraw/zinc/98/97/36/558989736.db2.gz IZJADCOJPXKDNU-UHFFFAOYSA-N 0 3 410.272 1.819 50 0 HDAAHN COCCN(C)CCN1CC2(CCN(C(=O)c3ccc(F)cc3F)CC2)OC1=O ZINC000077427511 559004915 /nfs/dbraw/zinc/00/49/15/559004915.db2.gz JCLACCZNZPLBQX-UHFFFAOYSA-N 0 3 411.449 1.970 50 0 HDAAHN Cc1ccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c(C)c1 ZINC000082230206 559042506 /nfs/dbraw/zinc/04/25/06/559042506.db2.gz QIJVUDPIRXCQAF-UHFFFAOYSA-N 0 3 405.524 1.629 50 0 HDAAHN Cc1cc(C(=O)N2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc(=O)[nH]1 ZINC000095510582 559083806 /nfs/dbraw/zinc/08/38/06/559083806.db2.gz SRGKNDYKPHRZAJ-QGZVFWFLSA-N 0 3 402.539 1.868 50 0 HDAAHN CCN(CC)CCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C)cc2c1=O ZINC000005042391 559235919 /nfs/dbraw/zinc/23/59/19/559235919.db2.gz KHNRFUKVSKGILW-UHFFFAOYSA-N 0 3 422.551 1.343 50 0 aggregator HDAAHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000005149107 559253214 /nfs/dbraw/zinc/25/32/14/559253214.db2.gz WBTQCHLHWMXQJH-HUUCEWRRSA-N 0 3 404.540 1.276 50 0 HDAAHN CN(C)C[C@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)[C@@H](O)c1ccccc1 ZINC000048081011 568432102 /nfs/dbraw/zinc/43/21/02/568432102.db2.gz NDGSBEUPJQPSIZ-RXVVDRJESA-N 0 3 413.522 1.951 50 0 HDAAHN CCN1CCN(CCNC(=O)c2ccc(C)c(NC(=O)C3=CSCCO3)c2)CC1 ZINC000021019801 568658054 /nfs/dbraw/zinc/65/80/54/568658054.db2.gz ODNLDVRNCIYMIA-UHFFFAOYSA-N 0 3 418.563 1.906 50 0 HDAAHN COc1ccc(-c2cc3c4nnc(CCC(=O)NCCN(C)C)n4ccn3n2)cc1 ZINC000096322363 568730293 /nfs/dbraw/zinc/73/02/93/568730293.db2.gz KHUCISRCSJXGEE-UHFFFAOYSA-N 0 3 407.478 1.663 50 0 HDAAHN CCN1C(=O)N(CC)C(=O)C2(Cc3c(Cl)cccc3N3CCN(C)C[C@H]32)C1=O ZINC000057122054 568824377 /nfs/dbraw/zinc/82/43/77/568824377.db2.gz BSZFPVILXMNRLO-INIZCTEOSA-N 0 3 404.898 1.834 50 0 HDAAHN NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21 ZINC000002968184 568831091 /nfs/dbraw/zinc/83/10/91/568831091.db2.gz UDKSTXRCZYYZBR-INIZCTEOSA-N 0 3 421.482 1.570 50 0 HDAAHN CCn1c2ccc(C(=O)NC[C@H](c3ccc(OC)cc3)N(C)C)cc2[nH]c(=O)c1=O ZINC000003334498 568882674 /nfs/dbraw/zinc/88/26/74/568882674.db2.gz PGQWGEGZNZEROE-LJQANCHMSA-N 0 3 410.474 1.751 50 0 HDAAHN CSCC[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)Nc2ccccc2F)CC1 ZINC000004082399 568939123 /nfs/dbraw/zinc/93/91/23/568939123.db2.gz GXCQJIRBBJSMIO-BBRMVZONSA-N 0 3 424.542 1.588 50 0 biogenic HDAAHN COc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000670463494 568956792 /nfs/dbraw/zinc/95/67/92/568956792.db2.gz UOODLGSIKKMXLR-INIZCTEOSA-N 0 3 411.568 1.993 50 0 HDAAHN COc1ccc([C@@H](CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)N(C)C)cc1 ZINC000007989413 568966520 /nfs/dbraw/zinc/96/65/20/568966520.db2.gz XZZIBMRJSGREIU-QGZVFWFLSA-N 0 3 402.495 1.669 50 0 HDAAHN CCN(CCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)n(C)c1=O)Cc1ccccc1 ZINC000015786487 569007603 /nfs/dbraw/zinc/00/76/03/569007603.db2.gz UTNCEJHPTWGREW-UHFFFAOYSA-N 0 3 421.501 1.492 50 0 HDAAHN CN(C)CCNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000012900637 569020742 /nfs/dbraw/zinc/02/07/42/569020742.db2.gz FHRLERNSAYIEFP-UHFFFAOYSA-N 0 3 421.501 1.757 50 0 biogenic HDAAHN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CN1CCN2CCC[C@H]2C1 ZINC000239248081 569054051 /nfs/dbraw/zinc/05/40/51/569054051.db2.gz YABHZRMACQNXDY-ZDUSSCGKSA-N 0 3 408.524 1.263 50 0 HDAAHN CC1CCN(S(=O)(=O)c2ccc(-c3nnc(C(=O)NCCN(C)C)o3)cc2)CC1 ZINC000065113815 569180851 /nfs/dbraw/zinc/18/08/51/569180851.db2.gz OGYAGNBCSWBICR-UHFFFAOYSA-N 0 3 421.523 1.449 50 0 HDAAHN CCC(=O)N1[C@H](C(=O)NCc2ccc3c(c2)OCO3)CSC12CCN(C)CC2 ZINC000006943496 569186925 /nfs/dbraw/zinc/18/69/25/569186925.db2.gz FJPIDSTWEVCTCW-HNNXBMFYSA-N 0 3 405.520 1.807 50 0 HDAAHN CN1CCN(CCCNC(=O)c2ccnc(N3CCN[C@H](c4ccccc4)C3)c2)CC1 ZINC000065255991 569207991 /nfs/dbraw/zinc/20/79/91/569207991.db2.gz MMYPJOVZDIZOGZ-QFIPXVFZSA-N 0 3 422.577 1.600 50 0 HDAAHN Cn1ncc(N2CCC[C@@H](C(=O)NC3CCN(Cc4ccccc4)CC3)C2)cc1=O ZINC000065313678 569222814 /nfs/dbraw/zinc/22/28/14/569222814.db2.gz FCPZNHFOQXKPOC-LJQANCHMSA-N 0 3 409.534 1.778 50 0 HDAAHN O=C([C@H]1CCCN1C1CCOCC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000089840318 569267027 /nfs/dbraw/zinc/26/70/27/569267027.db2.gz PWORPNHVVBMRBK-HXUWFJFHSA-N 0 3 421.563 1.304 50 0 HDAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)c4cn(C)cn4)CC3)C2)CC1 ZINC000581819789 569320813 /nfs/dbraw/zinc/32/08/13/569320813.db2.gz KXUFKDGGHDTLFQ-LJQANCHMSA-N 0 3 403.571 1.848 50 0 HDAAHN C[C@@H](NCC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)c1ccccc1 ZINC000013040352 569407923 /nfs/dbraw/zinc/40/79/23/569407923.db2.gz HDGROSRDZIUFLA-OAHLLOKOSA-N 0 3 407.474 1.481 50 0 HDAAHN CCN1CCN(CCNC(=O)CCN2N=C(c3ccc(OC)cc3)CCC2=O)CC1 ZINC000019359995 569420457 /nfs/dbraw/zinc/42/04/57/569420457.db2.gz ISBMBTNLVJGBDI-UHFFFAOYSA-N 0 3 415.538 1.166 50 0 HDAAHN Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCCN1CCc2ccccc2C1 ZINC000008992931 571207632 /nfs/dbraw/zinc/20/76/32/571207632.db2.gz SGKMJGSJZKAYMA-UHFFFAOYSA-N 0 3 406.490 1.741 50 0 HDAAHN COCCN1CCc2c(cccc2-n2nnc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c2C)C1 ZINC000069815222 571245548 /nfs/dbraw/zinc/24/55/48/571245548.db2.gz QNDALPRURNGTNL-IYBDPMFKSA-N 0 3 413.522 1.830 50 0 HDAAHN CCN1CCC[C@@H]1CN(CC(=O)N1CCNCC1)S(=O)(=O)c1cc(C)ccc1C ZINC000045974500 521633290 /nfs/dbraw/zinc/63/32/90/521633290.db2.gz DZHSXBUURHGDIE-LJQANCHMSA-N 0 3 422.595 1.210 50 0 HDAAHN CN(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc21 ZINC000032508910 521793150 /nfs/dbraw/zinc/79/31/50/521793150.db2.gz KBLXYSCLAANVFY-UHFFFAOYSA-N 0 3 406.490 1.609 50 0 HDAAHN CN(C)CCSc1nnc(Cn2c(=O)c3c4c(sc3n(C)c2=O)CCC4)o1 ZINC000031816888 521808446 /nfs/dbraw/zinc/80/84/46/521808446.db2.gz SMPSJHSLPZPNDS-UHFFFAOYSA-N 0 3 407.521 1.335 50 0 HDAAHN Cc1ccc(C(=O)N2CCC(CC(=O)NCCCN3CCN(C)CC3)CC2)cc1 ZINC000032974192 526082294 /nfs/dbraw/zinc/08/22/94/526082294.db2.gz BEUNAACFWKEYKQ-UHFFFAOYSA-N 0 3 400.567 1.991 50 0 HDAAHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CN3CCCC3=O)C2)cc1OC ZINC000011878449 558292751 /nfs/dbraw/zinc/29/27/51/558292751.db2.gz WESKFXJXCWZGBR-SFHVURJKSA-N 0 3 403.523 1.792 50 0 HDAAHN O=C(NC[C@H]1CCC2(CCN(Cc3cccc(OCCO)c3)CC2)O1)[C@H]1CCCO1 ZINC000012182980 558343920 /nfs/dbraw/zinc/34/39/20/558343920.db2.gz LVPWTIMEPDYLOD-NHCUHLMSSA-N 0 3 418.534 1.867 50 0 HDAAHN COC(=O)C1CCN(C[C@@H](O)COc2cccc(CN3CCSCC3)c2)CC1 ZINC000012304004 558373294 /nfs/dbraw/zinc/37/32/94/558373294.db2.gz DVRQWYZQGATDCQ-LJQANCHMSA-N 0 3 408.564 1.860 50 0 HDAAHN COC(=O)C1CCN(C[C@H](O)COc2cccc(CN3CCSCC3)c2)CC1 ZINC000012304005 558373404 /nfs/dbraw/zinc/37/34/04/558373404.db2.gz DVRQWYZQGATDCQ-IBGZPJMESA-N 0 3 408.564 1.860 50 0 HDAAHN COc1ccc(CN(C)Cc2cc(C)n[nH]2)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000020774529 558411794 /nfs/dbraw/zinc/41/17/94/558411794.db2.gz ZCCPHYLCWJZONV-FQEVSTJZSA-N 0 3 417.554 1.346 50 0 HDAAHN COc1ccc(CN(C)Cc2cc(C)[nH]n2)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000020774529 558411795 /nfs/dbraw/zinc/41/17/95/558411795.db2.gz ZCCPHYLCWJZONV-FQEVSTJZSA-N 0 3 417.554 1.346 50 0 HDAAHN COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)Cn2nc3ccccc3n2)CC1 ZINC000020906689 558421041 /nfs/dbraw/zinc/42/10/41/558421041.db2.gz DEAPZJCKONRAMI-IBGZPJMESA-N 0 3 415.538 1.797 50 0 HDAAHN COc1ccc(CN(C)CCN2CCOCC2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000020916247 558422626 /nfs/dbraw/zinc/42/26/26/558422626.db2.gz CARHYAINAUSIRO-NRFANRHFSA-N 0 3 421.582 1.685 50 0 HDAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000021794624 558449179 /nfs/dbraw/zinc/44/91/79/558449179.db2.gz FXSVCZLICKICAN-UHFFFAOYSA-N 0 3 424.505 1.228 50 0 HDAAHN Cc1cccc(CN2CCc3c(cc(C(=O)NCCN4CCN(C)CC4)n3C)C2)c1 ZINC000065210893 558655420 /nfs/dbraw/zinc/65/54/20/558655420.db2.gz NUIFZWFSWOBMPV-UHFFFAOYSA-N 0 3 409.578 1.869 50 0 HDAAHN O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2ccc(O)cc2)C1 ZINC000014743935 558668037 /nfs/dbraw/zinc/66/80/37/558668037.db2.gz HUYKNIOMAKLSMQ-SJBKTWHCSA-N 0 3 417.550 1.458 50 0 HDAAHN COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1 ZINC000015671236 558748211 /nfs/dbraw/zinc/74/82/11/558748211.db2.gz VSHHFSVISTZQQA-UHFFFAOYSA-N 0 3 405.524 1.679 50 0 HDAAHN Cn1ccnc1SCCNCc1cccc(OC[C@H](O)CN2CCOCC2)c1 ZINC000019334393 558869515 /nfs/dbraw/zinc/86/95/15/558869515.db2.gz OFKFPQRPDNVRKI-GOSISDBHSA-N 0 3 406.552 1.374 50 0 HDAAHN Cc1nc(NCCNS(=O)(=O)c2ccc(F)cc2F)cc(N2CCOCC2)n1 ZINC000072139986 558929037 /nfs/dbraw/zinc/92/90/37/558929037.db2.gz VKPSUKSOUZKZBS-UHFFFAOYSA-N 0 3 413.450 1.290 50 0 HDAAHN CCN1CCN(CCNC(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000033060348 558954899 /nfs/dbraw/zinc/95/48/99/558954899.db2.gz CGJRLEUEAHWKFR-UHFFFAOYSA-N 0 3 422.942 1.811 50 0 HDAAHN CCNc1cc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)nc(C)n1 ZINC000065364658 558975699 /nfs/dbraw/zinc/97/56/99/558975699.db2.gz PQUGTOJRDHOGHV-UHFFFAOYSA-N 0 3 418.523 1.686 50 0 HDAAHN COc1ccc(N([C@H](C)C(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1Cl ZINC000065365037 558976164 /nfs/dbraw/zinc/97/61/64/558976164.db2.gz IXFXCHCGMRYINI-GFCCVEGCSA-N 0 3 403.932 1.714 50 0 HDAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 ZINC000067604316 558988433 /nfs/dbraw/zinc/98/84/33/558988433.db2.gz BVKOQIWTBUFCDJ-UHFFFAOYSA-N 0 3 420.517 1.994 50 0 HDAAHN Cc1ccc(S(=O)(=O)N2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 ZINC000097097517 558992410 /nfs/dbraw/zinc/99/24/10/558992410.db2.gz HQVKJVGPODOFQT-AWEZNQCLSA-N 0 3 406.957 1.578 50 0 HDAAHN COc1ccc(OC)c(CNC(=O)[C@@H]2C[C@@H](NC(=O)c3cccc(F)c3)CN2)c1 ZINC000067851366 558994100 /nfs/dbraw/zinc/99/41/00/558994100.db2.gz RCAQWOPYQDVGFE-AEFFLSMTSA-N 0 3 401.438 1.620 50 0 HDAAHN CC[C@H](N)C(=O)N1CCc2ccc(S(=O)(=O)N(C)Cc3nccs3)cc2C1 ZINC000077322099 559001456 /nfs/dbraw/zinc/00/14/56/559001456.db2.gz OTBDJEDXYGMFSN-INIZCTEOSA-N 0 3 408.549 1.586 50 0 HDAAHN Cc1ccc(CN(C)C(=O)[C@H]2[C@H]3C(=O)N(CCN4CCCCC4)C[C@@]34C=C[C@@H]2O4)o1 ZINC000077405990 559003856 /nfs/dbraw/zinc/00/38/56/559003856.db2.gz MHYVVOYREOYGKL-SRYPRDQNSA-N 0 3 413.518 1.814 50 0 HDAAHN Cc1nccnc1N1CCC2(CN(CCCN3CCN(C(C)C)CC3)C(=O)O2)CC1 ZINC000077520842 559008182 /nfs/dbraw/zinc/00/81/82/559008182.db2.gz SPECNZADFMPWDS-UHFFFAOYSA-N 0 3 416.570 1.992 50 0 HDAAHN COc1ccccc1C(=O)N1CCN(c2cc(N3CCN(C)CC3)nc(C)n2)CC1 ZINC000082230720 559043070 /nfs/dbraw/zinc/04/30/70/559043070.db2.gz LSAIDDKASWBOGC-UHFFFAOYSA-N 0 3 410.522 1.508 50 0 HDAAHN O=C(NCC1(COc2ccccc2)CC1)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1 ZINC000091966015 559074832 /nfs/dbraw/zinc/07/48/32/559074832.db2.gz SLAWCOOMZBAZGD-QZTJIDSGSA-N 0 3 401.507 1.046 50 0 HDAAHN CCCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)CC1 ZINC000005147931 559252925 /nfs/dbraw/zinc/25/29/25/559252925.db2.gz FNHXBSGLCHHVRA-UHFFFAOYSA-N 0 3 424.549 1.978 50 0 HDAAHN COC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000106615824 560892734 /nfs/dbraw/zinc/89/27/34/560892734.db2.gz QTWHPKCUSCGRHL-LJQANCHMSA-N 0 3 418.494 1.122 50 0 HDAAHN C1CCc2c(c3c(nc2N2CCOCC2)sc2c3nnnc2N2CCNCC2)C1 ZINC000000779464 568474200 /nfs/dbraw/zinc/47/42/00/568474200.db2.gz ZPVQONCMKZBGTB-UHFFFAOYSA-N 0 3 411.535 1.760 50 0 HDAAHN CCc1nn(CC(=O)NCCCN2CCN(C)CC2)c(=O)c2cc3sccc3n21 ZINC000020384067 568603056 /nfs/dbraw/zinc/60/30/56/568603056.db2.gz GVHVLFUPLDUASC-UHFFFAOYSA-N 0 3 416.551 1.027 50 0 HDAAHN CN1CCN(CCCNC(=O)CCCn2c(=O)c3cccn3c3cccnc32)CC1 ZINC000020512842 568622171 /nfs/dbraw/zinc/62/21/71/568622171.db2.gz IGBHCDUYSKEQDE-UHFFFAOYSA-N 0 3 410.522 1.183 50 0 HDAAHN CCOC(=O)C1=C(CN2CCN(CC)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000020530934 568626903 /nfs/dbraw/zinc/62/69/03/568626903.db2.gz MVXTWFUNIQUEJZ-IBGZPJMESA-N 0 3 402.495 1.504 50 0 HDAAHN CCOC(=O)C1C(CN2CCN(CC)CC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000020530934 568626905 /nfs/dbraw/zinc/62/69/05/568626905.db2.gz MVXTWFUNIQUEJZ-IBGZPJMESA-N 0 3 402.495 1.504 50 0 HDAAHN C[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000025077129 568748532 /nfs/dbraw/zinc/74/85/32/568748532.db2.gz JEZQKGIJXMVCTQ-CQSZACIVSA-N 0 3 415.925 1.774 50 0 HDAAHN O=C1CCCN1CCN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299778027 568874834 /nfs/dbraw/zinc/87/48/34/568874834.db2.gz LYMRLSHMLJMTRC-HXUWFJFHSA-N 0 3 419.497 1.519 50 0 HDAAHN O=C(Cc1ccc(F)cc1)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 ZINC000299782037 568875231 /nfs/dbraw/zinc/87/52/31/568875231.db2.gz MDALSTHEYJCABF-HXUWFJFHSA-N 0 3 403.498 1.729 50 0 HDAAHN Cn1c2nc(N3CCNCC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)[nH]c1=O ZINC000004316574 568962463 /nfs/dbraw/zinc/96/24/63/568962463.db2.gz JZDHHDMXSNRGIY-UHFFFAOYSA-N 0 3 409.277 1.188 50 0 HDAAHN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CSC3=NCCN3)cc2)C1 ZINC000012821311 569005578 /nfs/dbraw/zinc/00/55/78/569005578.db2.gz YHZSBDKXBJBIJH-KBPBESRZSA-N 0 3 410.565 1.984 50 0 HDAAHN CC(C)c1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CCN(C)C)cc1 ZINC000015862664 569015998 /nfs/dbraw/zinc/01/59/98/569015998.db2.gz DSPSHNSQSYDUCY-UHFFFAOYSA-N 0 3 410.584 1.184 50 0 HDAAHN Cc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000035428622 569036627 /nfs/dbraw/zinc/03/66/27/569036627.db2.gz FJHXGNLMSNQGOP-UHFFFAOYSA-N 0 3 421.501 1.335 50 0 HDAAHN Cc1ccc(Cn2c(=O)c(C(=O)NCCN(C)C)nn(-c3ccccc3)c2=O)cc1 ZINC000036085995 569087815 /nfs/dbraw/zinc/08/78/15/569087815.db2.gz YVRPEWZSZORPOF-UHFFFAOYSA-N 0 3 407.474 1.042 50 0 HDAAHN CC[C@H](C(=O)NCCN1CCN(CC)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787527 569094205 /nfs/dbraw/zinc/09/42/05/569094205.db2.gz MOKNFFODCPJBEM-LJQANCHMSA-N 0 3 424.549 1.593 50 0 HDAAHN CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)NCCN3CCCCCC3)C2)c1 ZINC000064958052 569134307 /nfs/dbraw/zinc/13/43/07/569134307.db2.gz NALVVANJWHGTDS-KRWDZBQOSA-N 0 3 411.572 1.296 50 0 HDAAHN O=C(NCCCN1CCOCC1)c1cccnc1N1CCN[C@H](c2ccccc2)C1 ZINC000065255748 569207935 /nfs/dbraw/zinc/20/79/35/569207935.db2.gz MVGBPJQXGPCGES-NRFANRHFSA-N 0 3 409.534 1.685 50 0 HDAAHN O=C(NCCCN1CCOCC1)c1cccnc1N1CCN[C@@H](c2ccccc2)C1 ZINC000065255749 569207947 /nfs/dbraw/zinc/20/79/47/569207947.db2.gz MVGBPJQXGPCGES-OAQYLSRUSA-N 0 3 409.534 1.685 50 0 HDAAHN CCn1c2cc(C(=O)NCCCOC3CCN(C)CC3)ccc2n2nccc2c1=O ZINC000065270829 569213455 /nfs/dbraw/zinc/21/34/55/569213455.db2.gz ZONUDEALQPZIRL-UHFFFAOYSA-N 0 3 411.506 1.900 50 0 HDAAHN Cn1ncc(N2CCC[C@@H](C(=O)NCCCN3CCc4ccccc4C3)C2)cc1=O ZINC000065313910 569222990 /nfs/dbraw/zinc/22/29/90/569222990.db2.gz PCOFNKDEOMISGL-HXUWFJFHSA-N 0 3 409.534 1.561 50 0 HDAAHN CCN(CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)c1ccc(C)cc1 ZINC000170624347 569249364 /nfs/dbraw/zinc/24/93/64/569249364.db2.gz JEUWQXJVNLSMGE-UHFFFAOYSA-N 0 3 412.494 1.368 50 0 HDAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)c4cnccn4)CC3)C2)CC1 ZINC000581820136 569320988 /nfs/dbraw/zinc/32/09/88/569320988.db2.gz UJBIRKXMEBLLCS-LJQANCHMSA-N 0 3 401.555 1.904 50 0 HDAAHN CCN(C(=O)CN1C[C@H](C)C[C@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013057137 569408212 /nfs/dbraw/zinc/40/82/12/569408212.db2.gz ISEFWOKZPQQBFR-IYBDPMFKSA-N 0 3 413.522 1.498 50 0 HDAAHN COCCN(C)CCN1C[C@H](NC(=O)c2ccn(-c3ccccc3Cl)n2)CC1=O ZINC000328591898 569415089 /nfs/dbraw/zinc/41/50/89/569415089.db2.gz QACGLPKMXMAEJR-OAHLLOKOSA-N 0 3 419.913 1.435 50 0 HDAAHN CN1CCN(CCCNC(=O)CCc2nc3cc(Br)cnc3[nH]2)CC1 ZINC000079491921 569432459 /nfs/dbraw/zinc/43/24/59/569432459.db2.gz DRVVSNFFSLILTA-UHFFFAOYSA-N 0 3 409.332 1.407 50 0 HDAAHN COc1ccc(CC(=O)N[C@@H](C)C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 ZINC000008996281 571208690 /nfs/dbraw/zinc/20/86/90/571208690.db2.gz MBALDADSYRWHNH-HNNXBMFYSA-N 0 3 411.506 1.129 50 0 HDAAHN