smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(c1ccc(Cl)cc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1 ZINC000001167546 132239954 /nfs/dbraw/zinc/23/99/54/132239954.db2.gz CWJCGGJIZPBSHI-UHFFFAOYSA-N 0 1 419.978 3.315 50 0 HGAAMN O=C(C[C@@H](NC(=O)C(F)(F)F)c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000004052163 132270173 /nfs/dbraw/zinc/27/01/73/132270173.db2.gz CBBVZMLVBHUPSV-OAHLLOKOSA-N 0 1 411.449 3.207 50 0 HGAAMN CCCOc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C)CC2)c1 ZINC000004749450 132287398 /nfs/dbraw/zinc/28/73/98/132287398.db2.gz ZGJLWCMJECARIT-UHFFFAOYSA-N 0 1 411.502 3.266 50 0 HGAAMN O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)N1CCN(c2ccccn2)CC1 ZINC000007554467 132325054 /nfs/dbraw/zinc/32/50/54/132325054.db2.gz ZBWIXZCTIYQNEP-SFHVURJKSA-N 0 1 421.570 3.220 50 0 HGAAMN O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000009059584 132335190 /nfs/dbraw/zinc/33/51/90/132335190.db2.gz VMXIPMFZSGTSRA-GFCCVEGCSA-N 0 1 405.289 3.193 50 0 HGAAMN O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000009060282 132335349 /nfs/dbraw/zinc/33/53/49/132335349.db2.gz JFRBAEFHVBXVAC-LBPRGKRZSA-N 0 1 405.289 3.193 50 0 HGAAMN COc1cccc(N2CCN(C(=O)c3n[nH]c4c3CCc3cc(OC)ccc3-4)CC2)c1 ZINC000009728396 132343129 /nfs/dbraw/zinc/34/31/29/132343129.db2.gz ZLNBDDOVOLSHAK-UHFFFAOYSA-N 0 1 418.497 3.155 50 0 HGAAMN CCOc1ccc(CNCc2cccnc2N2CCN(C(C)=O)CC2)cc1Cl ZINC000012073431 132353547 /nfs/dbraw/zinc/35/35/47/132353547.db2.gz ZYXSUTCYWMVKQF-UHFFFAOYSA-N 0 1 402.926 3.092 50 0 HGAAMN CCN1CCN(c2ccccc2NC(=O)c2ccc(OCC(F)(F)F)nc2)CC1 ZINC000045740230 521699935 /nfs/dbraw/zinc/69/99/35/521699935.db2.gz VRWQILAMOAUUBR-UHFFFAOYSA-N 0 1 408.424 3.417 50 0 HGAAMN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC000032912184 523375773 /nfs/dbraw/zinc/37/57/73/523375773.db2.gz PMSBRZIFNAJYEY-UHFFFAOYSA-N 0 1 410.499 3.107 50 0 HGAAMN CN1CCCN(C(=O)c2csc(NC(=O)c3ccccc3C(F)(F)F)n2)CC1 ZINC000040355947 523807081 /nfs/dbraw/zinc/80/70/81/523807081.db2.gz RHBNPURUZTXBDV-UHFFFAOYSA-N 0 1 412.437 3.192 50 0 HGAAMN CN(C(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1)[C@H]1CCN(C)C1 ZINC000040355839 523963030 /nfs/dbraw/zinc/96/30/30/523963030.db2.gz KUPQQFWWEGBLJM-NSHDSACASA-N 0 1 413.330 3.478 50 0 HGAAMN Cc1ccccc1C(=O)N1CCC(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC000032728641 525044542 /nfs/dbraw/zinc/04/45/42/525044542.db2.gz WUGFIVQLFCDCRB-JOCHJYFZSA-N 0 1 411.521 3.405 50 0 HGAAMN COc1ccc([C@@H](CNC(=O)COC(=O)c2ccoc2C)N2CCCCC2)cc1 ZINC000032865233 525182779 /nfs/dbraw/zinc/18/27/79/525182779.db2.gz XTZWZZOQWXKFHX-HXUWFJFHSA-N 0 1 400.475 3.097 50 0 HGAAMN COc1ccc([C@H](CNC(=O)COC(=O)c2ccoc2C)N2CCCCC2)cc1 ZINC000032865234 525356871 /nfs/dbraw/zinc/35/68/71/525356871.db2.gz XTZWZZOQWXKFHX-FQEVSTJZSA-N 0 1 400.475 3.097 50 0 HGAAMN COc1ccc2c(c1)C=C(CN1CCN(Cc3cccs3)[C@H](CCO)C1)CO2 ZINC000043119838 525510671 /nfs/dbraw/zinc/51/06/71/525510671.db2.gz HXVQVSFPQOYDTP-LJQANCHMSA-N 0 1 400.544 3.101 50 0 HGAAMN Cc1ccc(-n2c3nc(SCC(=O)NC(C)C)[nH]c(=O)c3sc2=S)cc1 ZINC000032948645 525903631 /nfs/dbraw/zinc/90/36/31/525903631.db2.gz NYEUXPMAMXVQOP-UHFFFAOYSA-N 0 1 406.558 3.430 50 0 HGAAMN O=C(CCN1CCN(CCOc2ccccc2Cl)CC1)N1CCc2ccccc21 ZINC000032870950 526487832 /nfs/dbraw/zinc/48/78/32/526487832.db2.gz GNEVKXFKJQUJNO-UHFFFAOYSA-N 0 1 413.949 3.316 50 0 HGAAMN Cc1oc(-c2ccccc2)nc1CC(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000032759889 526738983 /nfs/dbraw/zinc/73/89/83/526738983.db2.gz PKGCOGJQZMCTNV-UHFFFAOYSA-N 0 1 418.541 3.127 50 0 HGAAMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000032816973 526922707 /nfs/dbraw/zinc/92/27/07/526922707.db2.gz AGGYPQMZOJXFGE-MRXNPFEDSA-N 0 1 415.419 3.290 50 0 HGAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@H](c1cccc(OC(C)C)c1)CC(=O)N2 ZINC000031811184 527573218 /nfs/dbraw/zinc/57/32/18/527573218.db2.gz HRRSJXVUQSKOCS-OAHLLOKOSA-N 0 1 403.446 3.108 50 0 HGAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1cccc(OCC(C)C)c1)CC(=O)N2 ZINC000031812102 527574639 /nfs/dbraw/zinc/57/46/39/527574639.db2.gz QQMZHMCRRAQUSR-INIZCTEOSA-N 0 1 417.473 3.356 50 0 HGAAMN CCOc1ccccc1NC(=O)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 ZINC000011697996 535526527 /nfs/dbraw/zinc/52/65/27/535526527.db2.gz BMJDZSJBNANJCB-UHFFFAOYSA-N 0 1 419.489 3.368 50 0 HGAAMN COC(=O)C1C(C)=NC(=O)N[C@H]1c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 ZINC000000639911 557032055 /nfs/dbraw/zinc/03/20/55/557032055.db2.gz VHRSOWOQXTUHEY-NRFANRHFSA-N 0 1 423.469 3.122 50 0 HGAAMN COc1ccc(COC(=O)C2C(C)=NC(=O)N[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000000844294 557098605 /nfs/dbraw/zinc/09/86/05/557098605.db2.gz JZIOVZANVKXGSP-HXUWFJFHSA-N 0 1 412.442 3.084 50 0 HGAAMN COc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCc1ccccc1F ZINC000001139631 557202941 /nfs/dbraw/zinc/20/29/41/557202941.db2.gz WBLICAZZASETCL-VGOFMYFVSA-N 0 1 421.222 3.356 50 0 HGAAMN CCOC(=O)c1ccccc1C(=O)c1cccc(CN2CCC3(CC2)OCCO3)c1 ZINC000002515223 557354090 /nfs/dbraw/zinc/35/40/90/557354090.db2.gz VEZBUNDOAZDLJS-UHFFFAOYSA-N 0 1 409.482 3.433 50 0 HGAAMN CCCC[C@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc(Cl)cc3)co2)CC1 ZINC000034677544 557365330 /nfs/dbraw/zinc/36/53/30/557365330.db2.gz ODFOYOSAILKRAW-SFHVURJKSA-N 0 1 420.941 3.249 50 0 HGAAMN Cc1cccc(-n2nc(C(=O)N(C)[C@H]3CCN(C)C3)nc2CCc2ccccc2)c1 ZINC000034911811 557476579 /nfs/dbraw/zinc/47/65/79/557476579.db2.gz SMYYSHGBSFZZAE-NRFANRHFSA-N 0 1 403.530 3.137 50 0 HGAAMN O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000004173387 557524148 /nfs/dbraw/zinc/52/41/48/557524148.db2.gz YTZQVNLKYKSHMT-ACESQOTJSA-N 0 1 416.521 3.443 50 0 HGAAMN COc1cc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)ccc1F ZINC000004373611 557548257 /nfs/dbraw/zinc/54/82/57/557548257.db2.gz KYYZHGSCDHYNAM-UHFFFAOYSA-N 0 1 408.539 3.109 50 0 HGAAMN CC(=O)Nc1ccc(N2C(=O)C[C@@H](NCc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000005726262 557671193 /nfs/dbraw/zinc/67/11/93/557671193.db2.gz WZRLCVMIBSORLN-QGZVFWFLSA-N 0 1 405.376 3.086 50 0 HGAAMN CCOC(=O)C1CCN([C@@H](c2cccs2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697537 557784313 /nfs/dbraw/zinc/78/43/13/557784313.db2.gz ZCIUTGBITYEVIZ-IBGZPJMESA-N 0 1 404.532 3.308 50 0 HGAAMN Cc1c(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)c(=O)n(-c2ccccc2)n1C ZINC000008828897 557811187 /nfs/dbraw/zinc/81/11/87/557811187.db2.gz ICJPUSXDYWHLFH-UHFFFAOYSA-N 0 1 420.498 3.000 50 0 HGAAMN CN1CCN([C@@H](CNC(=O)c2ccccc2Br)c2ccc(F)cc2)CC1 ZINC000022794675 557822005 /nfs/dbraw/zinc/82/20/05/557822005.db2.gz PZKDZMNXMNVFAC-IBGZPJMESA-N 0 1 420.326 3.307 50 0 HGAAMN Cc1ccc(OC2CCN(Cc3ccncc3)CC2)c(C(=O)N2CCC[C@H](O)C2)c1 ZINC000011667995 558269808 /nfs/dbraw/zinc/26/98/08/558269808.db2.gz XNZDPODQIYHFIV-FQEVSTJZSA-N 0 1 409.530 3.030 50 0 HGAAMN COC[C@H]1CCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)C1 ZINC000011819754 558283046 /nfs/dbraw/zinc/28/30/46/558283046.db2.gz QIBLWPGWKMAYJU-NRFANRHFSA-N 0 1 420.557 3.426 50 0 HGAAMN COCCNC(=O)c1ccc(OC)cc1OC1CCN(C/C=C/c2ccco2)CC1 ZINC000011842235 558287491 /nfs/dbraw/zinc/28/74/91/558287491.db2.gz HPLMTRWOVJNLNV-HWKANZROSA-N 0 1 414.502 3.221 50 0 HGAAMN COc1ccccc1OCC(=O)NC[C@H]1CCCN(Cc2cccc(C(C)=O)c2)C1 ZINC000012001544 558308373 /nfs/dbraw/zinc/30/83/73/558308373.db2.gz UDELWFJCDJEDQO-HXUWFJFHSA-N 0 1 410.514 3.305 50 0 HGAAMN O=C(NCc1nnc2n1CCN(Cc1cc3ccccc3o1)CC2)c1cccc(F)c1 ZINC000020451117 558365572 /nfs/dbraw/zinc/36/55/72/558365572.db2.gz GJMUPPNCFLOTAC-UHFFFAOYSA-N 0 1 419.460 3.152 50 0 HGAAMN CCCCn1c(CN(C)C[C@@H]2CCCN2C)cnc1S(=O)(=O)C1CCCCC1 ZINC000020514628 558382674 /nfs/dbraw/zinc/38/26/74/558382674.db2.gz DYXRVFKRBMEWEH-SFHVURJKSA-N 0 1 410.628 3.316 50 0 HGAAMN Cc1nn(C)c(Cl)c1CN1CCC[C@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000012387351 558396067 /nfs/dbraw/zinc/39/60/67/558396067.db2.gz CINXIDBRTUEDTE-INIZCTEOSA-N 0 1 412.925 3.418 50 0 HGAAMN COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(Cl)ccc1F)C(C)C ZINC000020730784 558406626 /nfs/dbraw/zinc/40/66/26/558406626.db2.gz ULLHXMBKRXYFJM-DOTOQJQBSA-N 0 1 408.861 3.057 50 0 HGAAMN CN(C)c1ncc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)s1 ZINC000020908294 558421406 /nfs/dbraw/zinc/42/14/06/558421406.db2.gz RDQNZHFWSLVKHP-UHFFFAOYSA-N 0 1 402.568 3.371 50 0 HGAAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000004354599 558439969 /nfs/dbraw/zinc/43/99/69/558439969.db2.gz BRGXCPCRKHLUHK-ZDLGFXPLSA-N 0 1 410.380 3.257 50 0 HGAAMN Cc1c(C)n(CCCN2CCOCC2)c2ncn3nc(-c4ccccc4C)nc3c12 ZINC000021801912 558450311 /nfs/dbraw/zinc/45/03/11/558450311.db2.gz OEULFMZBMNBCGK-UHFFFAOYSA-N 0 1 404.518 3.394 50 0 HGAAMN COC(=O)CCCC(=O)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000012760803 558460877 /nfs/dbraw/zinc/46/08/77/558460877.db2.gz XRPINWLZIKITOL-QGZVFWFLSA-N 0 1 408.489 3.369 50 0 HGAAMN CN(C)[C@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccs1 ZINC000012981013 558493365 /nfs/dbraw/zinc/49/33/65/558493365.db2.gz UVAAEBLVSTTZSL-GOSISDBHSA-N 0 1 403.523 3.159 50 0 HGAAMN COc1cccc([C@H](CNC(=O)CCc2c(C)nc3cc(C)nn3c2C)N(C)C)c1 ZINC000022683544 558504425 /nfs/dbraw/zinc/50/44/25/558504425.db2.gz BRDBKYHIYQNHQY-NRFANRHFSA-N 0 1 409.534 3.015 50 0 HGAAMN CCCn1c2ccccc2n(CCC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1=O ZINC000022682473 558504434 /nfs/dbraw/zinc/50/44/34/558504434.db2.gz BPABRIDBGZIOKM-NRFANRHFSA-N 0 1 412.509 3.161 50 0 HGAAMN O=C(CCNC(=O)c1ccccc1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000024045350 558586250 /nfs/dbraw/zinc/58/62/50/558586250.db2.gz XGFGUHNPEWDHHY-UHFFFAOYSA-N 0 1 401.510 3.304 50 0 HGAAMN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000024143705 558590390 /nfs/dbraw/zinc/59/03/90/558590390.db2.gz OGQROGJAAGEXGQ-UHFFFAOYSA-N 0 1 402.834 3.265 50 0 HGAAMN COc1ccccc1C(=O)NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000024771024 558611870 /nfs/dbraw/zinc/61/18/70/558611870.db2.gz ZNCYPJLTECTGLS-UHFFFAOYSA-N 0 1 417.632 3.164 50 0 HGAAMN COc1ccc(CCNC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1OC ZINC000025114008 558631961 /nfs/dbraw/zinc/63/19/61/558631961.db2.gz AWZCQKNMWRPOMC-UHFFFAOYSA-N 0 1 412.534 3.128 50 0 HGAAMN COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000014256878 558651353 /nfs/dbraw/zinc/65/13/53/558651353.db2.gz LZHAJOJBYGGPON-UHFFFAOYSA-N 0 1 405.472 3.358 50 0 HGAAMN CN1CCN(c2ccc(CNC(=O)NCc3ccc(Cl)cc3Cl)cn2)CC1 ZINC000026284479 558658305 /nfs/dbraw/zinc/65/83/05/558658305.db2.gz GZRKORXVVDAYCO-UHFFFAOYSA-N 0 1 408.333 3.140 50 0 HGAAMN Cc1ccc2nc(SCC(=O)NCC3(N4CCOCC4)CCCCC3)[nH]c2c1 ZINC000014638025 558662748 /nfs/dbraw/zinc/66/27/48/558662748.db2.gz CUASSZVMXNNQQY-UHFFFAOYSA-N 0 1 402.564 3.115 50 0 HGAAMN CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cccc(OC)c3OC)CC2)C1=O ZINC000014749496 558670431 /nfs/dbraw/zinc/67/04/31/558670431.db2.gz CJMRRRNNBQUQML-UHFFFAOYSA-N 0 1 417.550 3.369 50 0 HGAAMN Cc1ccccc1OCC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCN(C)CC1 ZINC000027793298 558682598 /nfs/dbraw/zinc/68/25/98/558682598.db2.gz WVMUIGIBPLKRIR-FQEVSTJZSA-N 0 1 401.938 3.132 50 0 HGAAMN O=C(C1CC[NH+](C2CCN(Cc3ccc([O-])c(Cl)c3)CC2)CC1)N1CCCC1 ZINC000014972808 558688037 /nfs/dbraw/zinc/68/80/37/558688037.db2.gz UPMWPMZXIFYRGT-UHFFFAOYSA-N 0 1 405.970 3.344 50 0 HGAAMN 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/nfs/dbraw/zinc/92/91/89/558929189.db2.gz GFASWMFJQLEMOY-UHFFFAOYSA-N 0 1 417.579 3.091 50 0 HGAAMN CSc1cccc(NC(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)c1 ZINC000064800116 558965741 /nfs/dbraw/zinc/96/57/41/558965741.db2.gz GVYJCYCIWFQGMN-UHFFFAOYSA-N 0 1 412.563 3.461 50 0 HGAAMN COc1cc(CN(Cc2cc(=O)n3ccsc3n2)CC(C)C)cc(OC)c1OC ZINC000033068989 558981551 /nfs/dbraw/zinc/98/15/51/558981551.db2.gz DLBACOZQFPXJTE-UHFFFAOYSA-N 0 1 417.531 3.440 50 0 HGAAMN C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022025274 558985052 /nfs/dbraw/zinc/98/50/52/558985052.db2.gz VRMNIGKESLFBCA-OAHLLOKOSA-N 0 1 413.572 3.358 50 0 HGAAMN COc1ccc(C)cc1NC(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1 ZINC000067612880 558988991 /nfs/dbraw/zinc/98/89/91/558988991.db2.gz XWFDNYAFUIKHGF-UHFFFAOYSA-N 0 1 424.549 3.446 50 0 HGAAMN CN1CCCN(C(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)CC1 ZINC000077407781 559004356 /nfs/dbraw/zinc/00/43/56/559004356.db2.gz QOTLPXPWGDMMCC-UHFFFAOYSA-N 0 1 410.562 3.496 50 0 HGAAMN 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406.453 3.380 50 0 HGAAMN COc1ccc(C(=O)C=C(O)C(=O)Nc2ccc(I)cc2)cc1 ZINC000101354931 560792289 /nfs/dbraw/zinc/79/22/89/560792289.db2.gz VEUJCUMYNJUMTP-UHFFFAOYSA-N 0 1 423.206 3.080 50 0 HGAAMN O=C1C2ON=C(c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101359372 560792540 /nfs/dbraw/zinc/79/25/40/560792540.db2.gz KJXVBINEFMPFBK-DZGCQCFKSA-N 0 1 405.635 3.395 50 0 HGAAMN CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2)C1 ZINC000102896628 560834858 /nfs/dbraw/zinc/83/48/58/560834858.db2.gz QUXMOPZEVORLNA-NVXWUHKLSA-N 0 1 414.531 3.423 50 0 HGAAMN CCOc1ccc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)cc1 ZINC000051315727 560856253 /nfs/dbraw/zinc/85/62/53/560856253.db2.gz ZZPOEQYPHOTJRH-UHFFFAOYSA-N 0 1 400.479 3.168 50 0 HGAAMN Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)c2)c1 ZINC000048274830 568435470 /nfs/dbraw/zinc/43/54/70/568435470.db2.gz CWTQTXBSHUKIMA-IBGZPJMESA-N 0 1 413.543 3.071 50 0 HGAAMN Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)c2)c1 ZINC000048274830 568435471 /nfs/dbraw/zinc/43/54/71/568435471.db2.gz CWTQTXBSHUKIMA-IBGZPJMESA-N 0 1 413.543 3.071 50 0 HGAAMN Cc1ccccc1-c1cc(C(=O)N2CCC(NC(=O)Cc3cccs3)CC2)n[nH]1 ZINC000049406842 568449065 /nfs/dbraw/zinc/44/90/65/568449065.db2.gz FGKCKOBEMPNNTB-UHFFFAOYSA-N 0 1 408.527 3.410 50 0 HGAAMN Cc1cc(NC(=O)CCc2nc(CSc3nc(-c4ccccc4)n[nH]3)no2)no1 ZINC000033270890 568512323 /nfs/dbraw/zinc/51/23/23/568512323.db2.gz XAXXVKDFARMDHQ-UHFFFAOYSA-N 0 1 411.447 3.015 50 0 HGAAMN O=c1c2ccccc2[n-]c(=S)n1CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020154006 568590855 /nfs/dbraw/zinc/59/08/55/568590855.db2.gz TYVTZLRLUBELQH-UHFFFAOYSA-N 0 1 400.935 3.161 50 0 HGAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)NC[C@@H]4CCCO4)ccc3n2)CC1 ZINC000020153532 568590862 /nfs/dbraw/zinc/59/08/62/568590862.db2.gz WIZJEPDBWAESST-SFHVURJKSA-N 0 1 413.591 3.151 50 0 HGAAMN O=S(=O)(Nc1cnn(C[C@H]2CCCCO2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000390827806 568591595 /nfs/dbraw/zinc/59/15/95/568591595.db2.gz KIWSIDKZJRQHFH-CQSZACIVSA-N 0 1 405.398 3.152 50 0 HGAAMN COC(=O)c1ccc(NC(=O)CN2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000095446867 568612095 /nfs/dbraw/zinc/61/20/95/568612095.db2.gz GAGWEWFPICFKQA-KRWDZBQOSA-N 0 1 406.486 3.476 50 0 HGAAMN CC(=O)c1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000095465020 568623148 /nfs/dbraw/zinc/62/31/48/568623148.db2.gz QXLSBYXUEBTOBD-UHFFFAOYSA-N 0 1 416.499 3.412 50 0 HGAAMN COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(OC)c1 ZINC000020761688 568642433 /nfs/dbraw/zinc/64/24/33/568642433.db2.gz MHPBQVUKTLZWFT-FQEVSTJZSA-N 0 1 406.442 3.385 50 0 biogenic HGAAMN CC(=O)c1cc(Br)ccc1NS(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000096009478 568683704 /nfs/dbraw/zinc/68/37/04/568683704.db2.gz UMBGPMAFJBXLBQ-UHFFFAOYSA-N 0 1 423.292 3.043 50 0 HGAAMN COCc1n[nH]c(-c2ccc(NC(=O)c3cc4cc(OC)c(OC)cc4[nH]3)cc2)n1 ZINC000096118599 568698361 /nfs/dbraw/zinc/69/83/61/568698361.db2.gz YHTPFPKDFWHHTH-UHFFFAOYSA-N 0 1 407.430 3.369 50 0 HGAAMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@@H](CCSC)NC(=O)c2ccccc2)n[nH]1 ZINC000239653683 568729699 /nfs/dbraw/zinc/72/96/99/568729699.db2.gz BKTCMGUYQZQREL-SQWLQELKSA-N 0 1 403.552 3.047 50 0 HGAAMN CC(C)c1ccc(C(=O)N2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)cc1 ZINC000096324938 568734659 /nfs/dbraw/zinc/73/46/59/568734659.db2.gz SQZRWAWRGNHROA-UHFFFAOYSA-N 0 1 403.486 3.193 50 0 HGAAMN COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCN(C)CC1 ZINC000022582564 568770833 /nfs/dbraw/zinc/77/08/33/568770833.db2.gz RKPCIVCHOQMESK-FQEVSTJZSA-N 0 1 401.938 3.376 50 0 HGAAMN CCOc1ccc([C@@H]2NC(=O)NC(CN(CC)Cc3ccccc3)=C2C(=O)OC)cc1 ZINC000057415324 568833779 /nfs/dbraw/zinc/83/37/79/568833779.db2.gz FXXYCVHHYBWJRP-QFIPXVFZSA-N 0 1 423.513 3.388 50 0 HGAAMN CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)c1 ZINC000012520399 568841136 /nfs/dbraw/zinc/84/11/36/568841136.db2.gz KFAFOPGYXYFHCD-UHFFFAOYSA-N 0 1 400.504 3.329 50 0 HGAAMN C[NH+](C)C1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCCCC1 ZINC000012548407 568851597 /nfs/dbraw/zinc/85/15/97/568851597.db2.gz ARNCGEGKQVNACS-UHFFFAOYSA-N 0 1 415.559 3.482 50 0 HGAAMN CC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000012557012 568856021 /nfs/dbraw/zinc/85/60/21/568856021.db2.gz YGJHNDHMACIJBD-UHFFFAOYSA-N 0 1 423.343 3.481 50 0 HGAAMN CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CCN(C/C=C/c2ccco2)CC3)CC1 ZINC000299775786 568874711 /nfs/dbraw/zinc/87/47/11/568874711.db2.gz KKHNXFGBSOIUJD-HQMUEHRGSA-N 0 1 415.534 3.132 50 0 HGAAMN O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(Cc2ccccc2F)CC1 ZINC000299785289 568875486 /nfs/dbraw/zinc/87/54/86/568875486.db2.gz ZYPHDWZNGQDHQA-NRFANRHFSA-N 0 1 416.468 3.236 50 0 HGAAMN CN1CCN(c2ncccc2CNC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000058015878 568876362 /nfs/dbraw/zinc/87/63/62/568876362.db2.gz XXBBDAOYXLISKO-UHFFFAOYSA-N 0 1 409.412 3.054 50 0 HGAAMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)[C@H]1CCCN1C(=O)c1cccs1 ZINC000003504275 568910713 /nfs/dbraw/zinc/91/07/13/568910713.db2.gz JPLQYUUFHCUUDC-SJORKVTESA-N 0 1 401.532 3.289 50 0 HGAAMN COc1ccc([C@@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1OC ZINC000004028776 568934076 /nfs/dbraw/zinc/93/40/76/568934076.db2.gz RZTRQDYTALSTEQ-HOTGVXAUSA-N 0 1 401.459 3.094 50 0 biogenic HGAAMN CN(C)[C@@H](CNC(=O)c1ccccc1I)c1cccc(F)c1 ZINC000012807823 568980383 /nfs/dbraw/zinc/98/03/83/568980383.db2.gz FXLXVSXKJHREDJ-INIZCTEOSA-N 0 1 412.246 3.463 50 0 HGAAMN O=C(Cn1c(=O)cnc2ccccc21)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000012758226 568943442 /nfs/dbraw/zinc/94/34/42/568943442.db2.gz LTWSFADDZQODLJ-XMMPIXPASA-N 0 1 409.449 3.179 50 0 HGAAMN Cc1nc2ccccc2n1CC1CCN(CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000038488539 568997748 /nfs/dbraw/zinc/99/77/48/568997748.db2.gz NFOKZKVAOTXBBD-UHFFFAOYSA-N 0 1 420.513 3.102 50 0 HGAAMN CCn1nc(C)c(-c2cc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)n[nH]2)c1C ZINC000085878457 569009725 /nfs/dbraw/zinc/00/97/25/569009725.db2.gz SQVXCWHAGBNIOM-UHFFFAOYSA-N 0 1 409.490 3.126 50 0 biogenic HGAAMN Cc1ccn2c(=O)cc(COc3ccccc3NS(=O)(=O)c3ccccc3)nc2c1 ZINC000015865432 569016605 /nfs/dbraw/zinc/01/66/05/569016605.db2.gz HASFLLKLZXEHCV-UHFFFAOYSA-N 0 1 421.478 3.383 50 0 HGAAMN CC1CCN(CCNC(=O)c2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)CC1 ZINC000035457355 569037797 /nfs/dbraw/zinc/03/77/97/569037797.db2.gz ZEIQASUVBMFXFN-UHFFFAOYSA-N 0 1 411.550 3.435 50 0 HGAAMN COc1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCCS3)c(OC)c1 ZINC000035504530 569040806 /nfs/dbraw/zinc/04/08/06/569040806.db2.gz CBBZMKHCJJYBER-UHFFFAOYSA-N 0 1 422.528 3.353 50 0 HGAAMN O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000013001546 569049482 /nfs/dbraw/zinc/04/94/82/569049482.db2.gz JOZUWPIWSNXBEX-FQEVSTJZSA-N 0 1 410.905 3.072 50 0 HGAAMN COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCCC2)ccc1O ZINC000006641631 569079916 /nfs/dbraw/zinc/07/99/16/569079916.db2.gz WTNJGYFYMAQZAK-NMNUPHIUSA-N 0 1 402.535 3.081 50 0 HGAAMN CC(=O)c1cccc(NC(=O)c2sc3ncnc(N4CCN(C)CC4)c3c2C)c1 ZINC000064957321 569134682 /nfs/dbraw/zinc/13/46/82/569134682.db2.gz VKQLWEKOGJTHEH-UHFFFAOYSA-N 0 1 409.515 3.206 50 0 HGAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)c1 ZINC000006866562 569159155 /nfs/dbraw/zinc/15/91/55/569159155.db2.gz VHJBJTYNMPIEDU-CYBMUJFWSA-N 0 1 416.499 3.192 50 0 HGAAMN Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)Nc1ccccc1 ZINC000065116642 569179874 /nfs/dbraw/zinc/17/98/74/569179874.db2.gz KYNOEOQOAQFVRX-UHFFFAOYSA-N 0 1 418.500 3.143 50 0 HGAAMN CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(Cl)ccc1F)C(=O)OC ZINC000036569526 569201400 /nfs/dbraw/zinc/20/14/00/569201400.db2.gz ADRAJSOYDBQBDU-PBQZTSCYSA-N 0 1 422.888 3.447 50 0 HGAAMN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1Cl ZINC000036584941 569202978 /nfs/dbraw/zinc/20/29/78/569202978.db2.gz SVJDYRSDTMPDNG-WBVHZDCISA-N 0 1 422.938 3.015 50 0 HGAAMN CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1)C(=O)OC ZINC000036584640 569203006 /nfs/dbraw/zinc/20/30/06/569203006.db2.gz LZQXNDIRDZVDCF-XZOAIXRZSA-N 0 1 404.898 3.308 50 0 HGAAMN COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1 ZINC000036593884 569204429 /nfs/dbraw/zinc/20/44/29/569204429.db2.gz VGYTZWTZRHEZAQ-AEFFLSMTSA-N 0 1 404.898 3.308 50 0 HGAAMN COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000036601699 569205342 /nfs/dbraw/zinc/20/53/42/569205342.db2.gz KRDDYXMIHOBXHX-SJLPKXTDSA-N 0 1 404.898 3.308 50 0 HGAAMN O=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccc(N2CCN(CCO)CC2)cc1 ZINC000524735462 569214273 /nfs/dbraw/zinc/21/42/73/569214273.db2.gz DFACRVVIZSABDD-JOCHJYFZSA-N 0 1 424.570 3.282 50 0 HGAAMN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3CCCCCC3)cc2)C1 ZINC000007339656 569234037 /nfs/dbraw/zinc/23/40/37/569234037.db2.gz ZXMUBSCVNKOHLD-QZTJIDSGSA-N 0 1 407.580 3.168 50 0 HGAAMN Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 ZINC000017012191 569271357 /nfs/dbraw/zinc/27/13/57/569271357.db2.gz GMOCLBFBUXPXBJ-UHFFFAOYSA-N 0 1 403.889 3.140 50 0 HGAAMN O=C(CSc1ccc(S(=O)(=O)Nc2ccccn2)cc1)NC1CCCCC1 ZINC000006706839 569280136 /nfs/dbraw/zinc/28/01/36/569280136.db2.gz GRYOBXGPTSMTJZ-UHFFFAOYSA-N 0 1 405.545 3.423 50 0 HGAAMN CCOc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)N2CCCCC2)ccc1O ZINC000002100670 569281353 /nfs/dbraw/zinc/28/13/53/569281353.db2.gz NHZZGNAMAAEEJA-WUMKDDEVSA-N 0 1 416.562 3.472 50 0 HGAAMN Cc1ccccc1-c1nnc(SCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1C ZINC000019316927 569416380 /nfs/dbraw/zinc/41/63/80/569416380.db2.gz ZPMIWKSCESBFNY-IBGZPJMESA-N 0 1 421.570 3.273 50 0 HGAAMN COC(=O)[C@@H](C)[C@@H](NCC(=O)NCCc1nc2ccccc2s1)c1ccccc1 ZINC000079025859 569424841 /nfs/dbraw/zinc/42/48/41/569424841.db2.gz NKRXCDKUDXPWOC-YCRPNKLZSA-N 0 1 411.527 3.095 50 0 HGAAMN O=C(c1[nH]nnc1Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 ZINC000067284334 571063760 /nfs/dbraw/zinc/06/37/60/571063760.db2.gz APIPUNLCDYPFOZ-UHFFFAOYSA-N 0 1 400.845 3.303 50 0 HGAAMN Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCCC2)c2ccccc2n1 ZINC000008864300 571128890 /nfs/dbraw/zinc/12/88/90/571128890.db2.gz HNMVKEDGZXMBLS-FQEVSTJZSA-N 0 1 408.527 3.497 50 0 HGAAMN CC[N@H+]1CCC[C@H]1CNC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000008879713 571131138 /nfs/dbraw/zinc/13/11/38/571131138.db2.gz QPFQUDVKEBEAJM-KRWDZBQOSA-N 0 1 422.481 3.145 50 0 biogenic HGAAMN O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](c1ccsc1)N1CCCCCC1 ZINC000008893083 571142836 /nfs/dbraw/zinc/14/28/36/571142836.db2.gz FCEDSNTXBGROMK-IBGZPJMESA-N 0 1 403.523 3.237 50 0 HGAAMN O=C(CN1Cc2ccccc2[C@H](c2ccccc2)C1)N1CCN(c2ccccn2)CC1 ZINC000040051484 571145292 /nfs/dbraw/zinc/14/52/92/571145292.db2.gz QEZUQRBADUYNDU-DEOSSOPVSA-N 0 1 412.537 3.378 50 0 HGAAMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3cncc(Br)c3)cc2)C[C@H](C)O1 ZINC000040087476 571157873 /nfs/dbraw/zinc/15/78/73/571157873.db2.gz ICRUAOLBKNCHLM-GASCZTMLSA-N 0 1 418.335 3.383 50 0 HGAAMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3cncc(Br)c3)cc2)C[C@@H](C)O1 ZINC000040087478 571157895 /nfs/dbraw/zinc/15/78/95/571157895.db2.gz ICRUAOLBKNCHLM-HUUCEWRRSA-N 0 1 418.335 3.383 50 0 HGAAMN COc1ccccc1-c1n[nH]c(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)n1 ZINC000040088560 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/nfs/dbraw/zinc/34/31/20/132343120.db2.gz ZUUICOYJKXRKDQ-UHFFFAOYSA-N 0 1 400.482 3.340 50 0 HGAAMN CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21 ZINC000012180650 132356030 /nfs/dbraw/zinc/35/60/30/132356030.db2.gz GNKZHTQRKSXRPS-UHFFFAOYSA-N 0 1 414.936 3.243 50 0 HGAAMN O=C(CCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000012557346 132363744 /nfs/dbraw/zinc/36/37/44/132363744.db2.gz APCRYIZJMOPVCE-UHFFFAOYSA-N 0 1 401.894 3.262 50 0 HGAAMN CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012732595 132366322 /nfs/dbraw/zinc/36/63/22/132366322.db2.gz IXOJCRZDOURNRY-IBGZPJMESA-N 0 1 421.419 3.236 50 0 HGAAMN COc1ccc(OC)c(COC[C@H](O)CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000012420249 132447860 /nfs/dbraw/zinc/44/78/60/132447860.db2.gz SBAGXSSBMUYPJH-HXUWFJFHSA-N 0 1 420.937 3.057 50 0 HGAAMN CCOc1ccc(CN2CCN(Cc3cccc(-n4cccn4)c3)C[C@@H]2CCO)cc1 ZINC000020600678 520975500 /nfs/dbraw/zinc/97/55/00/520975500.db2.gz BMNYEVARHZZMNA-DEOSSOPVSA-N 0 1 420.557 3.340 50 0 HGAAMN CC[NH+]1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)c4ccccc4)cc32)CC1 ZINC000032096721 521693612 /nfs/dbraw/zinc/69/36/12/521693612.db2.gz LZFOXNCSDTZOCU-NRFANRHFSA-N 0 1 406.486 3.183 50 0 HGAAMN COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccc(OC)c2)cc1 ZINC000032124185 522104015 /nfs/dbraw/zinc/10/40/15/522104015.db2.gz KITIIBRPCRSEAD-HXUWFJFHSA-N 0 1 406.442 3.385 50 0 biogenic HGAAMN CCc1nn2c(nnc3c(=O)n(CCc4cnc[nH]4)ccc32)c1-c1ccc(Cl)cc1 ZINC000040395931 522713744 /nfs/dbraw/zinc/71/37/44/522713744.db2.gz MXNDLCHYELAXHB-UHFFFAOYSA-N 0 1 419.876 3.288 50 0 HGAAMN CN(C)C(=O)CSc1ccccc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000032911492 523997441 /nfs/dbraw/zinc/99/74/41/523997441.db2.gz SIGKCDQRXFTHQF-IBGZPJMESA-N 0 1 411.571 3.261 50 0 HGAAMN Cc1ccccc1C(=O)N1CCC(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC000032728639 525044798 /nfs/dbraw/zinc/04/47/98/525044798.db2.gz WUGFIVQLFCDCRB-QFIPXVFZSA-N 0 1 411.521 3.405 50 0 HGAAMN COc1cccc(CN2CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CCO)c1 ZINC000020538669 525944221 /nfs/dbraw/zinc/94/42/21/525944221.db2.gz UXORMGYYTWOYNL-QFIPXVFZSA-N 0 1 424.520 3.293 50 0 HGAAMN O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000032895273 527339292 /nfs/dbraw/zinc/33/92/92/527339292.db2.gz ZSJLCCZJHUVGJC-QHCPKHFHSA-N 0 1 409.449 3.248 50 0 HGAAMN Cn1ncc(CN2CCC3(CN(CCOc4ccccc4)C(=O)O3)CC2)c1C1CC1 ZINC000072474235 527569118 /nfs/dbraw/zinc/56/91/18/527569118.db2.gz YCSXZVPRRODVNR-UHFFFAOYSA-N 0 1 410.518 3.163 50 0 HGAAMN COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000000917485 557117908 /nfs/dbraw/zinc/11/79/08/557117908.db2.gz MUBLVZHAPCJGIH-UHFFFAOYSA-N 0 1 418.862 3.192 50 0 HGAAMN O=C(NC1CC1)c1coc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000034684541 557387727 /nfs/dbraw/zinc/38/77/27/557387727.db2.gz ACXHYAOIEWYROA-UHFFFAOYSA-N 0 1 416.525 3.474 50 0 HGAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(C)=O ZINC000034835492 557467606 /nfs/dbraw/zinc/46/76/06/557467606.db2.gz FKTZEHOBJNMZPG-UHFFFAOYSA-N 0 1 401.530 3.220 50 0 HGAAMN CCOCCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000004064435 557509113 /nfs/dbraw/zinc/50/91/13/557509113.db2.gz FFKSXNRFRPCNJZ-OAQYLSRUSA-N 0 1 410.470 3.473 50 0 HGAAMN CC[C@@H]1CCCCN1C(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000005041927 557628883 /nfs/dbraw/zinc/62/88/83/557628883.db2.gz SPCUJPKUENIBDG-OAHLLOKOSA-N 0 1 405.549 3.239 50 0 HGAAMN CC[C@H]1CCCCN1C(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000005041928 557628921 /nfs/dbraw/zinc/62/89/21/557628921.db2.gz SPCUJPKUENIBDG-HNNXBMFYSA-N 0 1 405.549 3.239 50 0 HGAAMN COc1ccc(-n2c3nnc(S)n3c3sc4c(c3c2=O)CC(C)(C)OC4)cc1 ZINC000005563800 557662213 /nfs/dbraw/zinc/66/22/13/557662213.db2.gz NPERKAIJTVDRHO-UHFFFAOYSA-N 0 1 414.512 3.244 50 0 HGAAMN CCN1CCN([C@@H](c2ccc(SC)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697261 557783958 /nfs/dbraw/zinc/78/39/58/557783958.db2.gz AJUSDIIVRZUUQP-NRFANRHFSA-N 0 1 401.576 3.331 50 0 HGAAMN COc1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2OC)N2CCN(C)CC2)cc1 ZINC000022794390 557822101 /nfs/dbraw/zinc/82/21/01/557822101.db2.gz NTWROXFYBKQPBK-HXUWFJFHSA-N 0 1 417.937 3.076 50 0 HGAAMN COc1cc(-c2nnc3sc(-c4cc(CC(C)C)n[nH]4)nn32)cc(OC)c1OC ZINC000009421442 557842462 /nfs/dbraw/zinc/84/24/62/557842462.db2.gz AHYPTBHDWRIMOE-UHFFFAOYSA-N 0 1 414.491 3.467 50 0 HGAAMN COc1cc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)c(Cl)cc1O ZINC000019745046 558265704 /nfs/dbraw/zinc/26/57/04/558265704.db2.gz WLYWMDTZOYBQRW-IBGZPJMESA-N 0 1 404.938 3.431 50 0 HGAAMN CCOCc1cc(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)ccc1OC ZINC000019772242 558280382 /nfs/dbraw/zinc/28/03/82/558280382.db2.gz SCDIFYZTHJNLFX-FQEVSTJZSA-N 0 1 404.576 3.362 50 0 HGAAMN Cc1cc(C)cc(N2C(=O)c3ccccc3/C(=C\NCCCN3CCOCC3)C2=O)c1 ZINC000019881351 558301095 /nfs/dbraw/zinc/30/10/95/558301095.db2.gz ASHVDEHATPUUSH-HAVVHWLPSA-N 0 1 419.525 3.143 50 0 HGAAMN COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1F)C(C)C ZINC000020716750 558401604 /nfs/dbraw/zinc/40/16/04/558401604.db2.gz JTLHSIAIPABSJO-DOTOQJQBSA-N 0 1 408.861 3.057 50 0 HGAAMN O=C(CC1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1cccc(C(F)(F)F)c1 ZINC000020733455 558407254 /nfs/dbraw/zinc/40/72/54/558407254.db2.gz MIKDFHRWZNCDIB-CQSZACIVSA-N 0 1 401.348 3.486 50 0 HGAAMN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)c(F)c1F ZINC000020734454 558407460 /nfs/dbraw/zinc/40/74/60/558407460.db2.gz PYFMREOTJIPHOB-KBXCAEBGSA-N 0 1 424.423 3.072 50 0 HGAAMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N3)cc1 ZINC000020745698 558410591 /nfs/dbraw/zinc/41/05/91/558410591.db2.gz XYMTUWVJEYCNKJ-INIZCTEOSA-N 0 1 411.849 3.438 50 0 HGAAMN Cc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CN2CCCCC2)CC1 ZINC000020784391 558413596 /nfs/dbraw/zinc/41/35/96/558413596.db2.gz DODIWOLRLORRGK-UHFFFAOYSA-N 0 1 424.549 3.485 50 0 HGAAMN CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCN(C)C)c1 ZINC000004337872 558423497 /nfs/dbraw/zinc/42/34/97/558423497.db2.gz IJHXCWYYZGJBJH-FQEVSTJZSA-N 0 1 410.445 3.438 50 0 HGAAMN COc1ccc2nc(S[C@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)[nH]c2c1 ZINC000021128415 558431653 /nfs/dbraw/zinc/43/16/53/558431653.db2.gz DEXHYJRLCZSNEC-MRXNPFEDSA-N 0 1 410.543 3.397 50 0 HGAAMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC(=O)Nc2ccc(F)cc2)cc1 ZINC000013038334 558505455 /nfs/dbraw/zinc/50/54/55/558505455.db2.gz YMBDSNMFWKAYSE-HNNXBMFYSA-N 0 1 407.511 3.146 50 0 HGAAMN O=c1c2ccccc2cnn1CCc1n[nH]c(=S)n1-c1cccc2ncccc21 ZINC000013552574 558539643 /nfs/dbraw/zinc/53/96/43/558539643.db2.gz CEGJAFGBLHYBSK-UHFFFAOYSA-N 0 1 400.467 3.431 50 0 HGAAMN Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000013669508 558561162 /nfs/dbraw/zinc/56/11/62/558561162.db2.gz XTCGNCYTYPJCIR-UHFFFAOYSA-N 0 1 401.532 3.012 50 0 HGAAMN COc1cccc2ccc([C@H]3C(NC(=O)c4ccccc4)C(C)=Nc4ncnn43)nc21 ZINC000013720101 558581167 /nfs/dbraw/zinc/58/11/67/558581167.db2.gz ZLRJLHKSFGDANA-NRFANRHFSA-N 0 1 412.453 3.164 50 0 HGAAMN CCC(=O)c1ccc(OC[C@H](O)CN2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000024541253 558600817 /nfs/dbraw/zinc/60/08/17/558600817.db2.gz BTEGXLJSVFJXIS-JOCHJYFZSA-N 0 1 424.541 3.047 50 0 HGAAMN 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Cc1cc(O)cc(=O)n1CCCC(=O)Nc1ccc2nc(-c3cccnc3)[nH]c2c1 ZINC000096117726 568697270 /nfs/dbraw/zinc/69/72/70/568697270.db2.gz OCICPCRACORSFW-UHFFFAOYSA-N 0 1 403.442 3.220 50 0 HGAAMN COc1ccc(-c2noc(NCCCN3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000021630441 568724998 /nfs/dbraw/zinc/72/49/98/568724998.db2.gz RVDSGOZONJRGIE-UHFFFAOYSA-N 0 1 407.518 3.365 50 0 HGAAMN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H](C)c3n[nH]c([C@H](C)CC)n3)cc2)c1C ZINC000241439991 568731295 /nfs/dbraw/zinc/73/12/95/568731295.db2.gz NOCRCJHYLJOHJT-ZIAGYGMSSA-N 0 1 424.505 3.480 50 0 HGAAMN COc1cc(OC)c(NC(=O)CCC2=Nc3ccccc3S(=O)(=O)N2)cc1Cl ZINC000021661339 568736106 /nfs/dbraw/zinc/73/61/06/568736106.db2.gz QJRMIIIZXUCZEG-UHFFFAOYSA-N 0 1 423.878 3.098 50 0 HGAAMN COc1cccc(NC(=O)C[C@@H]2SC(c3cc4ccccc4oc3=O)=NC2=O)c1 ZINC000018992286 568745019 /nfs/dbraw/zinc/74/50/19/568745019.db2.gz AURAAWFFEYHAHJ-KRWDZBQOSA-N 0 1 408.435 3.219 50 0 HGAAMN CC(C)CN1CCO[C@@H](CNC(=O)Cc2csc(-c3ccccc3Cl)n2)C1 ZINC000028015183 568777500 /nfs/dbraw/zinc/77/75/00/568777500.db2.gz AGMJGNUMKLYFTO-INIZCTEOSA-N 0 1 407.967 3.479 50 0 HGAAMN CCOC(CN(CCc1ccccc1)C(=O)[C@@H](N)COCc1ccccc1)OCC ZINC000261507980 568820774 /nfs/dbraw/zinc/82/07/74/568820774.db2.gz OOHBEYDTRZGGDZ-QFIPXVFZSA-N 0 1 414.546 3.001 50 0 HGAAMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3C(=O)NC3CC3)n2)cc1 ZINC000005869068 568827236 /nfs/dbraw/zinc/82/72/36/568827236.db2.gz WCZKFSVPTZRZAY-UHFFFAOYSA-N 0 1 407.499 3.403 50 0 HGAAMN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@]21C(=O)Nc2ccccc21 ZINC000230200168 568854767 /nfs/dbraw/zinc/85/47/67/568854767.db2.gz VOPLWFGSMDFFHN-FAODYONGSA-N 0 1 421.884 3.080 50 0 HGAAMN CCOC(=O)c1sc2ncnc(NCC(C)(C)N3C[C@@H](C)O[C@@H](C)C3)c2c1C ZINC000012598685 568869394 /nfs/dbraw/zinc/86/93/94/568869394.db2.gz JWKGELGXBMFBEC-BETUJISGSA-N 0 1 406.552 3.476 50 0 HGAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCCOC(C)C)c1 ZINC000012604762 568870854 /nfs/dbraw/zinc/87/08/54/568870854.db2.gz SJWNBYFSKMDLCS-UHFFFAOYSA-N 0 1 406.504 3.041 50 0 HGAAMN CC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23c2ccccc2N(C)C3=O)cc1 ZINC000057992326 568873217 /nfs/dbraw/zinc/87/32/17/568873217.db2.gz DRDWZWPEMFPULX-WXVUKLJWSA-N 0 1 403.482 3.184 50 0 HGAAMN CCOc1c(Br)cc(CNCC(=O)N2CCCC2)cc1Br ZINC000057996905 568873298 /nfs/dbraw/zinc/87/32/98/568873298.db2.gz RHBYGKCOFISGGT-UHFFFAOYSA-N 0 1 420.145 3.322 50 0 HGAAMN CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)c1 ZINC000003361478 568888129 /nfs/dbraw/zinc/88/81/29/568888129.db2.gz RVUTYDNLYLVXPQ-UHFFFAOYSA-N 0 1 412.895 3.216 50 0 HGAAMN O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(Cl)c1Cl ZINC000012653190 568906722 /nfs/dbraw/zinc/90/67/22/568906722.db2.gz VDXBUGIRAUUETB-UHFFFAOYSA-N 0 1 421.327 3.334 50 0 HGAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@H](c1ccc(Cl)cc1)SCC(=O)N2 ZINC000031806819 568931578 /nfs/dbraw/zinc/93/15/78/568931578.db2.gz IMAHHXPNYRAQDU-OAHLLOKOSA-N 0 1 411.878 3.275 50 0 HGAAMN O=C(Nn1cnc2ccccc21)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000012773566 568953284 /nfs/dbraw/zinc/95/32/84/568953284.db2.gz ZCULUEXXQALOSQ-UHFFFAOYSA-N 0 1 410.430 3.360 50 0 HGAAMN CC(=O)c1ccc(OC[C@H](O)CN(C)CCOc2ccc(Br)cc2)cc1 ZINC000007990812 568967046 /nfs/dbraw/zinc/96/70/46/568967046.db2.gz WLCFCMDYZWIYSC-GOSISDBHSA-N 0 1 422.319 3.402 50 0 HGAAMN CCCc1nn2c(nc(CSc3nc(-c4ccccc4OC)n[nH]3)cc2=O)s1 ZINC000015732016 568982236 /nfs/dbraw/zinc/98/22/36/568982236.db2.gz SQGGYKYNRLHVII-UHFFFAOYSA-N 0 1 414.516 3.190 50 0 HGAAMN CCCc1nn2c(nc(CSc3nc(-c4cccc(OC)c4)n[nH]3)cc2=O)s1 ZINC000015732017 568982348 /nfs/dbraw/zinc/98/23/48/568982348.db2.gz IMICFIWIQDCDIU-UHFFFAOYSA-N 0 1 414.516 3.190 50 0 HGAAMN O=S(=O)(c1ccc(CNCc2ccccc2C(F)(F)F)cc1)N1CCOCC1 ZINC000012813918 568987875 /nfs/dbraw/zinc/98/78/75/568987875.db2.gz CXRMISCORPWEKJ-UHFFFAOYSA-N 0 1 414.449 3.016 50 0 HGAAMN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002152820 569005083 /nfs/dbraw/zinc/00/50/83/569005083.db2.gz MAJIMOBMGHQQSS-BRKXNLHOSA-N 0 1 410.558 3.094 50 0 biogenic HGAAMN COc1cccc(CN(C[C@@H](O)COC(C)C)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000245330408 569009886 /nfs/dbraw/zinc/00/98/86/569009886.db2.gz YFXVDJMYIPCDOF-FYYLOGMGSA-N 0 1 412.530 3.476 50 0 HGAAMN COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NC(=O)NC3CCCCC3)n2)cc1 ZINC000006141755 569014322 /nfs/dbraw/zinc/01/43/22/569014322.db2.gz HJTMBVXRFCKVQD-LBPRGKRZSA-N 0 1 403.508 3.119 50 0 HGAAMN C[C@@H](NCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000012904909 569021138 /nfs/dbraw/zinc/02/11/38/569021138.db2.gz NYUTYECZKXFKIT-VGSWGCGISA-N 0 1 414.571 3.449 50 0 HGAAMN Cc1onc(-c2ccncc2)c1C(=O)NCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000035478631 569038562 /nfs/dbraw/zinc/03/85/62/569038562.db2.gz KWXFTFZXKLFPGL-UHFFFAOYSA-N 0 1 423.492 3.126 50 0 HGAAMN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000239402893 569054288 /nfs/dbraw/zinc/05/42/88/569054288.db2.gz RGMFWZJLWGHHAD-QRVBRYPASA-N 0 1 419.591 3.310 50 0 HGAAMN COc1ccc(CN(C[C@H](O)COc2ccccc2)C[C@H]2CCCO2)cc1OC ZINC000036096049 569090097 /nfs/dbraw/zinc/09/00/97/569090097.db2.gz NOVNBTNIEHSDQI-PZJWPPBQSA-N 0 1 401.503 3.125 50 0 HGAAMN COC[C@H](O)CN(Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146718 569098783 /nfs/dbraw/zinc/09/87/83/569098783.db2.gz UUDXGXBJKSEZEV-CTNGQTDRSA-N 0 1 418.921 3.351 50 0 HGAAMN CCN1CCN(CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccccc2C)CC1 ZINC000036344946 569143004 /nfs/dbraw/zinc/14/30/04/569143004.db2.gz SMZWQLXYOFPBBS-XMMPIXPASA-N 0 1 420.557 3.319 50 0 HGAAMN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(C)=O)c(OC)c1 ZINC000065020766 569154119 /nfs/dbraw/zinc/15/41/19/569154119.db2.gz FDFBTAGOQYRQRB-UHFFFAOYSA-N 0 1 404.488 3.149 50 0 HGAAMN CCCCNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccccc2Cl)c1 ZINC000007423556 569237871 /nfs/dbraw/zinc/23/78/71/569237871.db2.gz QICVHUSBGCOJAB-UHFFFAOYSA-N 0 1 402.925 3.219 50 0 HGAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCS[C@@H](C)CC2)cc1 ZINC000170613055 569246765 /nfs/dbraw/zinc/24/67/65/569246765.db2.gz ZKSQULWTMKYYSS-HNNXBMFYSA-N 0 1 420.556 3.464 50 0 HGAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(N[C@H]3OC(=O)c4ccccc43)cc2)n1 ZINC000002205238 569296399 /nfs/dbraw/zinc/29/63/99/569296399.db2.gz CCPOZYQUVMQFMJ-SFHVURJKSA-N 0 1 410.455 3.175 50 0 HGAAMN C[C@H]1SCCN(C(=O)c2cccc(C(=O)N3CCS[C@@H](C)[C@H]3C)c2O)[C@@H]1C ZINC000253424368 569367998 /nfs/dbraw/zinc/36/79/98/569367998.db2.gz FFDWXPJAGOWYLK-TUVASFSCSA-N 0 1 408.589 3.324 50 0 HGAAMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cnc3nc(C)cc(C)n23)cc1 ZINC000078998840 569423361 /nfs/dbraw/zinc/42/33/61/569423361.db2.gz XYAWXZZJCTZQQI-KRWDZBQOSA-N 0 1 415.563 3.227 50 0 HGAAMN CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(F)cc3Cl)[n-]c(=O)c2C1 ZINC000067291904 571068252 /nfs/dbraw/zinc/06/82/52/571068252.db2.gz CIEFVDNCKSODGF-UHFFFAOYSA-N 0 1 410.902 3.474 50 0 HGAAMN CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(F)cc3Cl)[n-]c(=O)c2C1 ZINC000067291904 571068255 /nfs/dbraw/zinc/06/82/55/571068255.db2.gz CIEFVDNCKSODGF-UHFFFAOYSA-N 0 1 410.902 3.474 50 0 HGAAMN Cc1cn2c(nc(C)c(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)c2=O)s1 ZINC000008589482 571084838 /nfs/dbraw/zinc/08/48/38/571084838.db2.gz ZIUXZVWMIZXHPF-UHFFFAOYSA-N 0 1 419.406 3.072 50 0 HGAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NCc3nc4ccccc4n3C)cc2)n1 ZINC000039931495 571134846 /nfs/dbraw/zinc/13/48/46/571134846.db2.gz IUAHYZXBMPQZBX-UHFFFAOYSA-N 0 1 408.487 3.085 50 0 HGAAMN O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](c1ccsc1)N1CCCCCC1 ZINC000008893091 571142669 /nfs/dbraw/zinc/14/26/69/571142669.db2.gz FCEDSNTXBGROMK-LJQANCHMSA-N 0 1 403.523 3.237 50 0 HGAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000040058975 571146291 /nfs/dbraw/zinc/14/62/91/571146291.db2.gz SUYKHUJUJDSJHG-SJORKVTESA-N 0 1 401.532 3.147 50 0 HGAAMN CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000040088143 571158563 /nfs/dbraw/zinc/15/85/63/571158563.db2.gz GVWIQNQDQQZOSA-UHFFFAOYSA-N 0 1 424.404 3.357 50 0 HGAAMN CN1CCN(Cc2ccccc2CNC(=O)c2cc(Br)ccc2F)CC1 ZINC000040089782 571159800 /nfs/dbraw/zinc/15/98/00/571159800.db2.gz KAORVXYWGABRTN-UHFFFAOYSA-N 0 1 420.326 3.266 50 0 HGAAMN Cc1cccc(NC(=O)C2CCN([C@@H](C)C(=O)N3CCc4sccc4C3)CC2)n1 ZINC000040154615 571201837 /nfs/dbraw/zinc/20/18/37/571201837.db2.gz OAWLGOGNLHBUAS-INIZCTEOSA-N 0 1 412.559 3.075 50 0 HGAAMN CCNC(=O)N1CCC[C@H](c2cccc(C(=O)NCC[N@H+]3CCCC[C@H]3C)c2)C1 ZINC000245238066 571219627 /nfs/dbraw/zinc/21/96/27/571219627.db2.gz PEOVBAMEGAMIDK-NQIIRXRSSA-N 0 1 400.567 3.200 50 0 HGAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC000009168882 571233436 /nfs/dbraw/zinc/23/34/36/571233436.db2.gz XEZNIRDDLSFWIX-UHFFFAOYSA-N 0 1 404.488 3.470 50 0 HGAAMN CCOC(=O)C1C(COC(=O)C[C@@H]2C=CCC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000009613918 571273917 /nfs/dbraw/zinc/27/39/17/571273917.db2.gz OWUCOZIDIUVQRG-YJYMSZOUSA-N 0 1 418.877 3.411 50 0 HGAAMN COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(F)cc3)cs2)cc1 ZINC000009828647 571286956 /nfs/dbraw/zinc/28/69/56/571286956.db2.gz NEXXHYHOPFJTSV-UHFFFAOYSA-N 0 1 421.475 3.273 50 0 HGAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3nnc(-c4ccccc4)o3)CC2)c1 ZINC000020851910 571314804 /nfs/dbraw/zinc/31/48/04/571314804.db2.gz BTNRQNSTNYDDCQ-UHFFFAOYSA-N 0 1 419.529 3.296 50 0 HGAAMN Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000008165435 132328175 /nfs/dbraw/zinc/32/81/75/132328175.db2.gz JVQDALPDSDEASA-UHFFFAOYSA-N 0 1 420.557 3.238 50 0 HGAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)[C@H]3COc4ccccc4C3)CC2)c1 ZINC000008610345 132331581 /nfs/dbraw/zinc/33/15/81/132331581.db2.gz JPDZDJCKNNVWCI-JOCHJYFZSA-N 0 1 407.558 3.183 50 0 HGAAMN O=C(NCCc1ccc(Cl)cc1Cl)C1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000009060411 132335392 /nfs/dbraw/zinc/33/53/92/132335392.db2.gz HAKXHHPZFBXXNK-UHFFFAOYSA-N 0 1 419.316 3.235 50 0 HGAAMN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000009060021 132335422 /nfs/dbraw/zinc/33/54/22/132335422.db2.gz SDQBTNLRGFJQRS-LLVKDONJSA-N 0 1 406.368 3.107 50 0 HGAAMN Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1F ZINC000011697997 132350145 /nfs/dbraw/zinc/35/01/45/132350145.db2.gz YQTBKKRKKFSSIW-UHFFFAOYSA-N 0 1 407.453 3.417 50 0 HGAAMN CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21 ZINC000012180482 132355764 /nfs/dbraw/zinc/35/57/64/132355764.db2.gz LBKYUNLTFVFSBI-UHFFFAOYSA-N 0 1 414.936 3.243 50 0 HGAAMN CN1CCCN(C(=O)c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000040355527 523807431 /nfs/dbraw/zinc/80/74/31/523807431.db2.gz YRWDKENDGDTVLI-UHFFFAOYSA-N 0 1 413.330 3.480 50 0 HGAAMN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)O[C@@H]2C[C@H](C)OC2=O)c(C)c1 ZINC000032879579 524327168 /nfs/dbraw/zinc/32/71/68/524327168.db2.gz KZASZQMIJKSXFD-MAUKXSAKSA-N 0 1 417.483 3.273 50 0 HGAAMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000032762787 526493576 /nfs/dbraw/zinc/49/35/76/526493576.db2.gz PMJFJLCOQNEHQS-RBUKOAKNSA-N 0 1 413.543 3.433 50 0 HGAAMN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)[C@H]1CCCN(c2ncccn2)C1 ZINC000032761046 526578532 /nfs/dbraw/zinc/57/85/32/526578532.db2.gz HEEBDMZPIRANIR-FXAWDEMLSA-N 0 1 413.953 3.300 50 0 HGAAMN COc1ccccc1C(=O)N1CCC(N2CCN(c3ccccc3OC)CC2)CC1 ZINC000004109087 536993298 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C[C@H]1c2cccn2CCN1CC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000012846277 569010104 /nfs/dbraw/zinc/01/01/04/569010104.db2.gz XWPWCXIVKYSEMX-FQEVSTJZSA-N 0 1 402.542 3.362 50 0 HGAAMN COc1ccc(NC(=O)c2ccccn2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006178375 569017582 /nfs/dbraw/zinc/01/75/82/569017582.db2.gz JCJAEKZXSXWCNW-UHFFFAOYSA-N 0 1 401.419 3.282 50 0 HGAAMN CCN(CC)[C@@H](CNC(=O)c1cnc2ccc(C)cn2c1=O)c1ccccc1Cl ZINC000012952430 569029711 /nfs/dbraw/zinc/02/97/11/569029711.db2.gz BLQXTWNJNVESSK-IBGZPJMESA-N 0 1 412.921 3.469 50 0 HGAAMN CCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)cc1 ZINC000035508004 569041043 /nfs/dbraw/zinc/04/10/43/569041043.db2.gz QCXYGYGZLPXXMK-KRWDZBQOSA-N 0 1 419.485 3.361 50 0 HGAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)c1 ZINC000006779105 569042046 /nfs/dbraw/zinc/04/20/46/569042046.db2.gz MAGJMHGCPQCOOK-UHFFFAOYSA-N 0 1 408.501 3.329 50 0 HGAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C2CC2)ccc1N1CCCC1 ZINC000006623390 569075046 /nfs/dbraw/zinc/07/50/46/569075046.db2.gz JGTONVKCKZYCEU-UHFFFAOYSA-N 0 1 415.515 3.445 50 0 HGAAMN Cc1cccc(-c2nc3cnccn3c2NCCC(=O)N2CCN(CC(C)C)CC2)c1 ZINC000064758916 569090487 /nfs/dbraw/zinc/09/04/87/569090487.db2.gz PGWGPHAFULGBFE-UHFFFAOYSA-N 0 1 420.561 3.307 50 0 HGAAMN CCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169679991 569126728 /nfs/dbraw/zinc/12/67/28/569126728.db2.gz XZKSEUOVYCDAFR-IRLDBZIGSA-N 0 1 413.949 3.348 50 0 HGAAMN COc1ccc(-c2nnc(CCNS(=O)(=O)c3ccc(C(C)C)cc3)[nH]2)cc1 ZINC000064969507 569137959 /nfs/dbraw/zinc/13/79/59/569137959.db2.gz JYTUPKQIXSDKTB-UHFFFAOYSA-N 0 1 400.504 3.125 50 0 HGAAMN Cc1cccc(Cc2nc(CCNS(=O)(=O)c3cccc(C(F)(F)F)c3)n[nH]2)c1 ZINC000064969808 569138634 /nfs/dbraw/zinc/13/86/34/569138634.db2.gz GRNMUOZHFXPHOC-UHFFFAOYSA-N 0 1 424.448 3.244 50 0 HGAAMN CCN1CCN(CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccccc2C)CC1 ZINC000036344945 569143086 /nfs/dbraw/zinc/14/30/86/569143086.db2.gz SMZWQLXYOFPBBS-DEOSSOPVSA-N 0 1 420.557 3.319 50 0 HGAAMN CCN1CCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccccc2OC)CC1 ZINC000036345313 569143169 /nfs/dbraw/zinc/14/31/69/569143169.db2.gz GPDVROKZSGNCFB-QHCPKHFHSA-N 0 1 420.557 3.319 50 0 HGAAMN Cc1ccc(C(=O)Nc2nccnc2C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000065228576 569200749 /nfs/dbraw/zinc/20/07/49/569200749.db2.gz VNHREWBMZPSORX-UHFFFAOYSA-N 0 1 407.518 3.128 50 0 HGAAMN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc(-c2ccccc2F)n[nH]1 ZINC000007090236 569217781 /nfs/dbraw/zinc/21/77/81/569217781.db2.gz HPSCHAJBURYQFV-GFCCVEGCSA-N 0 1 411.462 3.467 50 0 HGAAMN O=C(CN1CCC(Cn2cnc3ccccc32)CC1)N1CCN(c2ccccc2)CC1 ZINC000036708865 569223842 /nfs/dbraw/zinc/22/38/42/569223842.db2.gz XIYNRQLTRCEKON-UHFFFAOYSA-N 0 1 417.557 3.097 50 0 HGAAMN CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000065497070 569232354 /nfs/dbraw/zinc/23/23/54/569232354.db2.gz SSNHPGYRRZDWGI-RDJZCZTQSA-N 0 1 409.372 3.059 50 0 HGAAMN O=C(NCCc1ccc(F)c(Br)c1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000065493018 569232399 /nfs/dbraw/zinc/23/23/99/569232399.db2.gz RALHWGNCNCZJTA-UHFFFAOYSA-N 0 1 422.279 3.086 50 0 HGAAMN COc1cccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000170593835 569241305 /nfs/dbraw/zinc/24/13/05/569241305.db2.gz BKLOZQFEVMFPAZ-DLBZAZTESA-N 0 1 424.545 3.075 50 0 HGAAMN Cc1sc2ncnc(SCCC(=O)N3CCN(CC(C)(C)O)[C@H](C)C3)c2c1C ZINC000170602680 569243783 /nfs/dbraw/zinc/24/37/83/569243783.db2.gz NIHGVKGJGYJEOY-CYBMUJFWSA-N 0 1 422.620 3.094 50 0 HGAAMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000089781083 569264258 /nfs/dbraw/zinc/26/42/58/569264258.db2.gz HXSPCUQAKWCSPM-UHFFFAOYSA-N 0 1 406.414 3.293 50 0 HGAAMN COc1ccc(-c2noc(CSc3nc(=O)c4sccc4[nH]3)n2)cc1OC ZINC000016842920 569264752 /nfs/dbraw/zinc/26/47/52/569264752.db2.gz FHHFVNTWPTXXNA-UHFFFAOYSA-N 0 1 402.457 3.344 50 0 HGAAMN C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCC[C@H]1c1ccsc1 ZINC000252467350 569287122 /nfs/dbraw/zinc/28/71/22/569287122.db2.gz FLAOMGQMEJREFG-AVRDEDQJSA-N 0 1 413.587 3.422 50 0 HGAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2SCC(N)=O)c(Br)c1 ZINC000170650131 569292397 /nfs/dbraw/zinc/29/23/97/569292397.db2.gz AMYSPXNLHXFZJR-UHFFFAOYSA-N 0 1 415.334 3.136 50 0 HGAAMN C[C@H](NCc1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000007780422 569309630 /nfs/dbraw/zinc/30/96/30/569309630.db2.gz XYSVEYIZQRITKE-HNNXBMFYSA-N 0 1 407.561 3.040 50 0 HGAAMN CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(Cl)ccc1F)C(=O)OC ZINC000043735313 569358228 /nfs/dbraw/zinc/35/82/28/569358228.db2.gz ADRAJSOYDBQBDU-SDDDUWNISA-N 0 1 422.888 3.447 50 0 HGAAMN O=C1NCc2ccc(NS(=O)(=O)c3cccc4cncc(Br)c43)cc21 ZINC000253424900 569367991 /nfs/dbraw/zinc/36/79/91/569367991.db2.gz MFEAMIJLFVXZIS-UHFFFAOYSA-N 0 1 418.272 3.042 50 0 HGAAMN CCOC(=O)C1C(CN2CCC(C)CC2)=NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286883 571064905 /nfs/dbraw/zinc/06/49/05/571064905.db2.gz XZYPSCAQJDPRRG-IBGZPJMESA-N 0 1 403.548 3.312 50 0 HGAAMN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)N1CCc2nc[nH]c2C1 ZINC000008765475 571115311 /nfs/dbraw/zinc/11/53/11/571115311.db2.gz HCCGXNVIYFTNLL-UHFFFAOYSA-N 0 1 401.422 3.147 50 0 biogenic HGAAMN CCN1CCN(c2ccccc2NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000039980486 571136040 /nfs/dbraw/zinc/13/60/40/571136040.db2.gz VNNVHJAAUDGLLK-UHFFFAOYSA-N 0 1 416.566 3.414 50 0 HGAAMN COc1cccc([C@@H](CNC(=O)C2CCN(C(=O)c3ccsc3)CC2)N(C)C)c1 ZINC000040062714 571147585 /nfs/dbraw/zinc/14/75/85/571147585.db2.gz LYEZSZXQFGYAFU-HXUWFJFHSA-N 0 1 415.559 3.028 50 0 HGAAMN O=C(Cc1ccccc1)N1CCC[C@H](C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000040073659 571153950 /nfs/dbraw/zinc/15/39/50/571153950.db2.gz VZYAGPDZRUHWAF-SFTDATJTSA-N 0 1 409.530 3.014 50 0 HGAAMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000040082846 571156566 /nfs/dbraw/zinc/15/65/66/571156566.db2.gz BAVUMIDCAXVONH-UHFFFAOYSA-N 0 1 420.904 3.336 50 0 HGAAMN CSc1ncc(Cl)c(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000040087459 571157875 /nfs/dbraw/zinc/15/78/75/571157875.db2.gz JOEWSSGDVQGQRG-KBPBESRZSA-N 0 1 420.966 3.391 50 0 HGAAMN CSc1ncc(Cl)c(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000040087460 571157909 /nfs/dbraw/zinc/15/79/09/571157909.db2.gz JOEWSSGDVQGQRG-ZIAGYGMSSA-N 0 1 420.966 3.391 50 0 HGAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCN(Cc2cccs2)CC1 ZINC000040103809 571164430 /nfs/dbraw/zinc/16/44/30/571164430.db2.gz LZRXOAQIXNQQSO-UHFFFAOYSA-N 0 1 413.591 3.158 50 0 HGAAMN CCOc1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN(C)C)cc1 ZINC000009328359 571248374 /nfs/dbraw/zinc/24/83/74/571248374.db2.gz ZYFLZKYVSUGSCD-NRFANRHFSA-N 0 1 422.481 3.307 50 0 HGAAMN CCOc1cccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN(C)C)c1 ZINC000009328348 571248410 /nfs/dbraw/zinc/24/84/10/571248410.db2.gz KSRLFTLCGFZYDI-OAQYLSRUSA-N 0 1 422.481 3.307 50 0 HGAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(C)=O)ccc1N1CCCCC1 ZINC000004865406 132291105 /nfs/dbraw/zinc/29/11/05/132291105.db2.gz URRYBQFQZZREKM-UHFFFAOYSA-N 0 1 403.504 3.445 50 0 HGAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000005689708 132307554 /nfs/dbraw/zinc/30/75/54/132307554.db2.gz WZUYWTCRCZFXRN-OAHLLOKOSA-N 0 1 410.543 3.432 50 0 HGAAMN Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000005750775 132307870 /nfs/dbraw/zinc/30/78/70/132307870.db2.gz CFAXCZDWLWVYAF-HXUWFJFHSA-N 0 1 417.387 3.276 50 0 HGAAMN CC(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CCO3)cc1 ZINC000006779688 132315802 /nfs/dbraw/zinc/31/58/02/132315802.db2.gz HQSXGQBFRMAXCS-UHFFFAOYSA-N 0 1 408.863 3.089 50 0 HGAAMN O=C(NCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000009060281 132335361 /nfs/dbraw/zinc/33/53/61/132335361.db2.gz JFRBAEFHVBXVAC-GFCCVEGCSA-N 0 1 405.289 3.193 50 0 HGAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H](C)S3)c1 ZINC000009406961 132339295 /nfs/dbraw/zinc/33/92/95/132339295.db2.gz DGRKZOJOQXZDBH-GFCCVEGCSA-N 0 1 422.528 3.352 50 0 HGAAMN CCOC(=O)c1[nH]c2ccc3nc[nH]c3c2c1CCN1C(=O)c2ccccc2C1=O ZINC000032109475 521368732 /nfs/dbraw/zinc/36/87/32/521368732.db2.gz IMJRYQLVEIWQIH-UHFFFAOYSA-N 0 1 402.410 3.060 50 0 biogenic HGAAMN COc1ccccc1N1CCN([C@H]2CCCN(Cc3cnc(N(C)C)s3)C2)CC1 ZINC000020540456 524562757 /nfs/dbraw/zinc/56/27/57/524562757.db2.gz UCPAGMAKAFZZKN-SFHVURJKSA-N 0 1 415.607 3.004 50 0 HGAAMN C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000032465505 525506821 /nfs/dbraw/zinc/50/68/21/525506821.db2.gz DEKGEILKCHVJNC-LBPRGKRZSA-N 0 1 418.494 3.305 50 0 HGAAMN CSc1ccc(N2C[C@@H](C(=O)NC[C@H](c3cccc(F)c3)N(C)C)CC2=O)cc1 ZINC000032730848 526022584 /nfs/dbraw/zinc/02/25/84/526022584.db2.gz ZVOWKENQCALEFI-OXJNMPFZSA-N 0 1 415.534 3.320 50 0 HGAAMN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)[C@H]1CCCN(c2ncccn2)C1 ZINC000032761048 526491489 /nfs/dbraw/zinc/49/14/89/526491489.db2.gz HEEBDMZPIRANIR-PXNSSMCTSA-N 0 1 413.953 3.300 50 0 HGAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(C(=O)c2ccsc2)CC1 ZINC000032772367 526580692 /nfs/dbraw/zinc/58/06/92/526580692.db2.gz ZGBFHXNOBXQWLQ-GOSISDBHSA-N 0 1 401.532 3.147 50 0 HGAAMN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000004621987 534977799 /nfs/dbraw/zinc/97/77/99/534977799.db2.gz RYOVMKAABOMAHG-UHFFFAOYSA-N 0 1 412.559 3.352 50 0 HGAAMN COc1cccc(N2CCN(CCc3cc(OC)c(OC)c(OC)c3)C[C@@H]2C)c1 ZINC000005336284 537123498 /nfs/dbraw/zinc/12/34/98/537123498.db2.gz MIQBLSKRKGUUOS-KRWDZBQOSA-N 0 1 400.519 3.474 50 0 HGAAMN O=C1C[C@H](N2CCCCCCC2)C(=O)N1c1ccc(I)cc1 ZINC000000691894 557060571 /nfs/dbraw/zinc/06/05/71/557060571.db2.gz HWGLPTMGGIWZIY-HNNXBMFYSA-N 0 1 412.271 3.189 50 0 HGAAMN Cc1ccc(S(=O)(=O)N(C[C@H](O)CN2CCCCC2)c2cccc(C)c2)cc1 ZINC000000864219 557105106 /nfs/dbraw/zinc/10/51/06/557105106.db2.gz OICAJIABXGHWKA-OAQYLSRUSA-N 0 1 402.560 3.346 50 0 HGAAMN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cc1 ZINC000001052735 557160655 /nfs/dbraw/zinc/16/06/55/557160655.db2.gz RDJYYKINFFZEAE-UHFFFAOYSA-N 0 1 410.451 3.407 50 0 HGAAMN CCOC(=O)C1C(CSc2nnc(C)s2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000001422904 557260867 /nfs/dbraw/zinc/26/08/67/557260867.db2.gz SSZAQQKZISOLFY-MRXNPFEDSA-N 0 1 418.544 3.427 50 0 HGAAMN O=C(Nc1ccc(N2CCN(C[C@@H](O)c3ccccc3)CC2)nc1)c1ccc(F)cc1 ZINC000034667917 557361286 /nfs/dbraw/zinc/36/12/86/557361286.db2.gz NIFBNHSMVQQPSM-JOCHJYFZSA-N 0 1 420.488 3.329 50 0 HGAAMN Cc1ccccc1N1CCN(Cc2ccc(C(=O)NCCN3CCCCC3)o2)CC1 ZINC000034684185 557387346 /nfs/dbraw/zinc/38/73/46/557387346.db2.gz NXOGUYHVHQYNRP-UHFFFAOYSA-N 0 1 410.562 3.126 50 0 HGAAMN COc1ccc(C[C@H](C(=O)Nc2cccc3ccccc32)c2nn[nH]n2)cc1OC ZINC000005670933 557667631 /nfs/dbraw/zinc/66/76/31/557667631.db2.gz QRUKDLALZQSZGJ-KRWDZBQOSA-N 0 1 403.442 3.335 50 0 HGAAMN CN1CCN([C@H](CNC(=O)c2ccc(Br)cc2)c2ccc(F)cc2)CC1 ZINC000022794830 557822276 /nfs/dbraw/zinc/82/22/76/557822276.db2.gz SCYHBWAPBOOEDU-LJQANCHMSA-N 0 1 420.326 3.307 50 0 HGAAMN CCN1CCN(Cc2nc3cc(NC(=O)COc4ccc(C)cc4)ccc3n2C)CC1 ZINC000022804371 557824754 /nfs/dbraw/zinc/82/47/54/557824754.db2.gz BPCRCYCAIDNDKN-UHFFFAOYSA-N 0 1 421.545 3.037 50 0 HGAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)CCn1nccc1C ZINC000011661279 558265346 /nfs/dbraw/zinc/26/53/46/558265346.db2.gz KODHCJJSGNDJFP-UHFFFAOYSA-N 0 1 416.541 3.108 50 0 HGAAMN COCCNC(=O)c1cccc(OC2CCN(Cc3ccc(F)c(OC)c3)CC2)c1 ZINC000011816495 558279820 /nfs/dbraw/zinc/27/98/20/558279820.db2.gz HSCMOUSPNZCEMP-UHFFFAOYSA-N 0 1 416.493 3.254 50 0 HGAAMN COc1cccc(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)c1OC ZINC000011842409 558287661 /nfs/dbraw/zinc/28/76/61/558287661.db2.gz FRLYTHVGWDGBOT-UHFFFAOYSA-N 0 1 421.501 3.385 50 0 HGAAMN CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](N(C)CCc3ccccc3)C2)cc1 ZINC000011879441 558293846 /nfs/dbraw/zinc/29/38/46/558293846.db2.gz DBMVNIWGBFDOIP-OAQYLSRUSA-N 0 1 400.544 3.217 50 0 HGAAMN COc1ccc(CN2CCN(Cc3cnn(C(C)C)c3)C[C@@H]2CCO)c(C)c1C ZINC000020254700 558351890 /nfs/dbraw/zinc/35/18/90/558351890.db2.gz BORLEMRNDIWRSE-QFIPXVFZSA-N 0 1 400.567 3.158 50 0 HGAAMN COc1ccc2c(c1)C=C(CN1CCN(Cc3cccs3)[C@@H](CCO)C1)CO2 ZINC000020294041 558354246 /nfs/dbraw/zinc/35/42/46/558354246.db2.gz HXVQVSFPQOYDTP-IBGZPJMESA-N 0 1 400.544 3.101 50 0 HGAAMN COc1ccc(CN2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@@H]2CCO)cc1C ZINC000020388198 558359112 /nfs/dbraw/zinc/35/91/12/558359112.db2.gz QKGWCPKGGHPHSH-QHCPKHFHSA-N 0 1 420.557 3.463 50 0 HGAAMN O=C(CCc1cn[nH]c1)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000020448908 558364172 /nfs/dbraw/zinc/36/41/72/558364172.db2.gz PJTJPKSXVLHSPD-GOSISDBHSA-N 0 1 402.489 3.381 50 0 HGAAMN CCOC(=O)N1CCN([C@H]2CCCN(Cc3c[nH]nc3C3CCCCC3)C2)CC1 ZINC000020452632 558366767 /nfs/dbraw/zinc/36/67/67/558366767.db2.gz XFULBQISULUWKO-FQEVSTJZSA-N 0 1 403.571 3.196 50 0 HGAAMN Cc1cccc(C)c1OCCOC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000020500417 558380665 /nfs/dbraw/zinc/38/06/65/558380665.db2.gz XMTKIQRGFKPZID-JOCHJYFZSA-N 0 1 402.510 3.021 50 0 HGAAMN COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1 ZINC000020719356 558402524 /nfs/dbraw/zinc/40/25/24/558402524.db2.gz PUKXFBWYIOKBGX-RDJZCZTQSA-N 0 1 422.938 3.015 50 0 HGAAMN CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1Cl)C(=O)OC ZINC000020723524 558403962 /nfs/dbraw/zinc/40/39/62/558403962.db2.gz WAIWNQSLJFUOKC-PUECVXPYSA-N 0 1 404.898 3.308 50 0 HGAAMN Cc1cc(CN2CCC(Oc3cccc(C(=O)NCc4cccnc4)c3)CC2)n[nH]1 ZINC000012432007 558406381 /nfs/dbraw/zinc/40/63/81/558406381.db2.gz XGCFOVMSVZNLMV-UHFFFAOYSA-N 0 1 405.502 3.087 50 0 HGAAMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2cccc(Cl)c2C)C(=O)N3)cc1 ZINC000020738711 558408607 /nfs/dbraw/zinc/40/86/07/558408607.db2.gz ZEJFQXFFGSPXRE-INIZCTEOSA-N 0 1 411.849 3.438 50 0 HGAAMN COc1ccc(Cl)cc1NC(=O)CC1C(=O)Nc2nc(-c3ccc(C)cc3)nn21 ZINC000020745360 558410120 /nfs/dbraw/zinc/41/01/20/558410120.db2.gz FHKFJOWRDPGUGJ-OAHLLOKOSA-N 0 1 411.849 3.438 50 0 HGAAMN O=C(c1cnccn1)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012750376 558458854 /nfs/dbraw/zinc/45/88/54/558458854.db2.gz MNXYPGWPSMYDEM-FQEVSTJZSA-N 0 1 412.509 3.149 50 0 HGAAMN Cc1ccc(-c2nnc(CCC(=O)NCC3(N4CCOCC4)CCCCC3)o2)cc1 ZINC000012791687 558465970 /nfs/dbraw/zinc/46/59/70/558465970.db2.gz WFJJMNHILHAXLE-UHFFFAOYSA-N 0 1 412.534 3.129 50 0 HGAAMN Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000022621100 558503235 /nfs/dbraw/zinc/50/32/35/558503235.db2.gz YNINGDBABFLBLJ-UHFFFAOYSA-N 0 1 422.466 3.218 50 0 HGAAMN COc1ccccc1[C@H](CNC(=O)c1nn(-c2ccccc2)nc1C)N1CCCC1 ZINC000022679678 558504123 /nfs/dbraw/zinc/50/41/23/558504123.db2.gz REWWHWRFBPWYFY-FQEVSTJZSA-N 0 1 405.502 3.151 50 0 HGAAMN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3nc4ccccc4n3C)C2)CC1 ZINC000022851486 558516892 /nfs/dbraw/zinc/51/68/92/558516892.db2.gz YWCTUMKBHZZPFX-HXUWFJFHSA-N 0 1 419.573 3.369 50 0 HGAAMN O=C(CN1CCN(CCc2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000022911928 558519754 /nfs/dbraw/zinc/51/97/54/558519754.db2.gz XNGOOLOWTQMROZ-UHFFFAOYSA-N 0 1 402.336 3.248 50 0 HGAAMN COc1ccc2[nH]cc([C@@H]3C(NC(=O)c4ccccc4)C(C)=Nc4ncnn43)c2c1 ZINC000013551884 558539401 /nfs/dbraw/zinc/53/94/01/558539401.db2.gz LASUKLZTKBZUCY-HXUWFJFHSA-N 0 1 400.442 3.097 50 0 HGAAMN CCCn1ncc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c1C ZINC000023372986 558553077 /nfs/dbraw/zinc/55/30/77/558553077.db2.gz IILSZUWZPKMJGG-QHCPKHFHSA-N 0 1 414.594 3.296 50 0 HGAAMN CCN(CC)CCN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1 ZINC000023375286 558554734 /nfs/dbraw/zinc/55/47/34/558554734.db2.gz LTFOZBMIRAVENO-UHFFFAOYSA-N 0 1 424.655 3.421 50 0 HGAAMN COc1ccccc1NC(=O)CC1C(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000013722281 558582770 /nfs/dbraw/zinc/58/27/70/558582770.db2.gz GRLTWKISMWAQRW-HNNXBMFYSA-N 0 1 409.471 3.101 50 0 HGAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 ZINC000013856258 558598229 /nfs/dbraw/zinc/59/82/29/558598229.db2.gz MHWXGBRUYPBSTN-UHFFFAOYSA-N 0 1 424.906 3.394 50 0 HGAAMN CN(C)CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2c(cccc2F)s1 ZINC000004478814 558601466 /nfs/dbraw/zinc/60/14/66/558601466.db2.gz WEKQMVJWYQSFMX-INIZCTEOSA-N 0 1 401.463 3.170 50 0 HGAAMN C[C@@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)c1ccc(OC(F)F)cc1 ZINC000004486693 558603751 /nfs/dbraw/zinc/60/37/51/558603751.db2.gz HGRXFEQWWNGYNX-LLVKDONJSA-N 0 1 413.398 3.088 50 0 HGAAMN O=C1Cc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)ccc2N1 ZINC000028810625 558705057 /nfs/dbraw/zinc/70/50/57/558705057.db2.gz VNBCBSGBNTWKEX-UHFFFAOYSA-N 0 1 422.388 3.187 50 0 HGAAMN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccccc1N1CCCCC1 ZINC000028940244 558707733 /nfs/dbraw/zinc/70/77/33/558707733.db2.gz ZLHWSNTUGRUZCD-UHFFFAOYSA-N 0 1 403.504 3.445 50 0 HGAAMN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCN1CCc2ccccc2C1 ZINC000030363060 558729254 /nfs/dbraw/zinc/72/92/54/558729254.db2.gz PVELFWISLGOPJC-NRFANRHFSA-N 0 1 413.949 3.269 50 0 HGAAMN O=C(NCc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)N1CCC(c2ncc[nH]2)CC1 ZINC000072305648 558761142 /nfs/dbraw/zinc/76/11/42/558761142.db2.gz JGHZNRZWHFLMHP-JOCHJYFZSA-N 0 1 418.497 3.376 50 0 HGAAMN C[NH+](C)CC1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CC1 ZINC000072311450 558784023 /nfs/dbraw/zinc/78/40/23/558784023.db2.gz JJHWOSGJLBPYPI-UHFFFAOYSA-N 0 1 417.456 3.337 50 0 HGAAMN CCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C[C@@H](C)c2ccccc2)cc1 ZINC000035421890 558791535 /nfs/dbraw/zinc/79/15/35/558791535.db2.gz VROPZMBNZDTCFK-HXUWFJFHSA-N 0 1 423.557 3.153 50 0 HGAAMN CC(C)=CCN1CCN(Cc2cc(F)ccc2-n2nc(C)cc2C)C[C@H]1CCO ZINC000038149394 558811001 /nfs/dbraw/zinc/81/10/01/558811001.db2.gz ZCALLCIWRUSRJN-JOCHJYFZSA-N 0 1 400.542 3.463 50 0 HGAAMN CCC(=O)N1NC(=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)C[C@@H]1c1cccs1 ZINC000017027788 558812245 /nfs/dbraw/zinc/81/22/45/558812245.db2.gz MNSDUYMGXCQADP-SULWINFOSA-N 0 1 424.482 3.309 50 0 HGAAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=C1C[C@@H](c2c[nH]c3ccccc32)NN1 ZINC000017029373 558812461 /nfs/dbraw/zinc/81/24/61/558812461.db2.gz KTEFISUVHHAOMX-NSURYPBFSA-N 0 1 401.426 3.080 50 0 HGAAMN CCCCn1c(=O)c([C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c(O)[nH]c1=S ZINC000017056336 558813416 /nfs/dbraw/zinc/81/34/16/558813416.db2.gz BYYAVTYYLLWXRL-RBUKOAKNSA-N 0 1 421.522 3.455 50 0 HGAAMN C[NH+](C)[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccco1 ZINC000033024258 558841422 /nfs/dbraw/zinc/84/14/22/558841422.db2.gz PMKITWPSEALRFT-INIZCTEOSA-N 0 1 419.528 3.175 50 0 HGAAMN Cc1n[nH]cc1-c1nc(-c2c(C)ncc3c2CCN(C(=O)[C@H]2CC=CCC2)C3)no1 ZINC000019147796 558846746 /nfs/dbraw/zinc/84/67/46/558846746.db2.gz ISCBZGXZFUUSIF-HNNXBMFYSA-N 0 1 404.474 3.380 50 0 HGAAMN OCC[C@@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CCN1Cc1cccs1 ZINC000019229408 558853439 /nfs/dbraw/zinc/85/34/39/558853439.db2.gz DRRQXIMLTKEPPG-LJQANCHMSA-N 0 1 410.543 3.399 50 0 HGAAMN Cc1noc(C)c1CC(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055035765 558869977 /nfs/dbraw/zinc/86/99/77/558869977.db2.gz HMYOUKHUZUCCKA-FQEVSTJZSA-N 0 1 416.953 3.301 50 0 HGAAMN CCCc1cc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)n(C)n1 ZINC000055108258 558872868 /nfs/dbraw/zinc/87/28/68/558872868.db2.gz TXFWSNAXGHYMGS-NRFANRHFSA-N 0 1 409.578 3.108 50 0 HGAAMN C[C@@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 ZINC000058172495 558908410 /nfs/dbraw/zinc/90/84/10/558908410.db2.gz OHLSVLPOLDUVFC-GFCCVEGCSA-N 0 1 423.391 3.476 50 0 HGAAMN CN(C)[C@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C1CCCCC1 ZINC000058173740 558908806 /nfs/dbraw/zinc/90/88/06/558908806.db2.gz CSAVRDPWNPSSFJ-QGZVFWFLSA-N 0 1 401.960 3.376 50 0 HGAAMN Cc1ccc(OCC(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000059300011 558933491 /nfs/dbraw/zinc/93/34/91/558933491.db2.gz JQZALQNCELMQPP-JOCHJYFZSA-N 0 1 411.521 3.326 50 0 HGAAMN CCOC(=O)c1sc(NC(=O)CSc2nc(CCSC)c(C)[nH]2)nc1C ZINC000004632348 558944643 /nfs/dbraw/zinc/94/46/43/558944643.db2.gz RVWLZJMDKXIRRV-UHFFFAOYSA-N 0 1 414.578 3.296 50 0 HGAAMN Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000097940946 558945897 /nfs/dbraw/zinc/94/58/97/558945897.db2.gz XZHOPAGGHFEAPB-UHFFFAOYSA-N 0 1 408.867 3.134 50 0 HGAAMN CCOC(=O)c1ccccc1NC(=O)NCCc1n[nH]c(Cc2ccc(C)cc2)n1 ZINC000033062547 558956020 /nfs/dbraw/zinc/95/60/20/558956020.db2.gz XWEMEOJIJBIWHK-UHFFFAOYSA-N 0 1 407.474 3.245 50 0 HGAAMN O=C(COc1coc(CN2CCCCCC2)cc1=O)NCc1ccc(Cl)cc1 ZINC000072406412 558987175 /nfs/dbraw/zinc/98/71/75/558987175.db2.gz AYWUYABGJQTVNP-UHFFFAOYSA-N 0 1 404.894 3.364 50 0 HGAAMN O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC(c2[nH]ncc2Cc2ccccc2)CC1 ZINC000067691076 558991543 /nfs/dbraw/zinc/99/15/43/558991543.db2.gz IWZWRGRQENDGGH-UHFFFAOYSA-N 0 1 401.470 3.190 50 0 HGAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCc2c(=O)[nH]c(-c3ccc(F)cc3)nc2C1 ZINC000097151808 558997432 /nfs/dbraw/zinc/99/74/32/558997432.db2.gz ZHGOVOMUQWAKNW-UHFFFAOYSA-N 0 1 415.428 3.165 50 0 HGAAMN O=C(CCc1nc(CSc2nc(-c3ccccc3)n[nH]2)no1)Nc1nccs1 ZINC000033270773 559032487 /nfs/dbraw/zinc/03/24/87/559032487.db2.gz BDNCZJABXBUCDV-UHFFFAOYSA-N 0 1 413.488 3.175 50 0 HGAAMN CCOC(=O)c1cccc(C(=O)c2ccccc2CN2CCC3(CC2)OCCO3)c1 ZINC000085651547 559057259 /nfs/dbraw/zinc/05/72/59/559057259.db2.gz PHMPDDNUHSGARH-UHFFFAOYSA-N 0 1 409.482 3.433 50 0 HGAAMN CCCCN1CCc2nc[nH]c2C12CCN(Cc1cnc(SCC)nc1)CC2 ZINC000095500071 559082085 /nfs/dbraw/zinc/08/20/85/559082085.db2.gz FYOBPOKAJZMEFM-UHFFFAOYSA-N 0 1 400.596 3.461 50 0 HGAAMN O=C(Cc1c[nH]cn1)N1CCc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2C1 ZINC000095518474 559084790 /nfs/dbraw/zinc/08/47/90/559084790.db2.gz FFFUMPPHEXOIBB-UHFFFAOYSA-N 0 1 400.482 3.207 50 0 HGAAMN COc1cc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc(OC)c1OC ZINC000023390030 559173754 /nfs/dbraw/zinc/17/37/54/559173754.db2.gz MHWAFMNCVGNJPP-UHFFFAOYSA-N 0 1 407.366 3.412 50 0 HGAAMN O=C1NC(=O)[C@]2(Cc3cccc(F)c3N3CCSC[C@H]32)C(=O)N1c1ccccc1 ZINC000033429121 559190838 /nfs/dbraw/zinc/19/08/38/559190838.db2.gz QAAVQFGXSNZOPE-HRAATJIYSA-N 0 1 411.458 3.413 50 0 HGAAMN O=C1NC(=O)[C@@]2(Cc3cccc(F)c3N3CCSC[C@H]32)C(=O)N1c1ccccc1 ZINC000033429123 559190845 /nfs/dbraw/zinc/19/08/45/559190845.db2.gz QAAVQFGXSNZOPE-KKSFZXQISA-N 0 1 411.458 3.413 50 0 HGAAMN COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc4c(c3)OCO4)C[C@H]21 ZINC000004949953 559214968 /nfs/dbraw/zinc/21/49/68/559214968.db2.gz VMCWRKDALFKBBK-GOSISDBHSA-N 0 1 407.470 3.389 50 0 HGAAMN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@@H](C)N1CCC[C@H](C)C1 ZINC000005068473 559240477 /nfs/dbraw/zinc/24/04/77/559240477.db2.gz GOKQVHHBOIENNV-UONOGXRCSA-N 0 1 417.506 3.421 50 0 HGAAMN Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)Nc1cccc(OCC[NH+]2CCCC2)c1 ZINC000409413834 559250733 /nfs/dbraw/zinc/25/07/33/559250733.db2.gz FFTDOKZICUIBPJ-UHFFFAOYSA-N 0 1 422.481 3.463 50 0 biogenic HGAAMN COCCCN1C(=O)c2n[nH]c(-c3cc(C)ccc3O)c2[C@H]1c1ccc(O)c(OC)c1 ZINC000011914921 559267673 /nfs/dbraw/zinc/26/76/73/559267673.db2.gz DVXZZYWDLFJMJC-JOCHJYFZSA-N 0 1 423.469 3.387 50 0 HGAAMN COc1ccc(NC(=O)c2cc(C)no2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000024400571 560779625 /nfs/dbraw/zinc/77/96/25/560779625.db2.gz XDJKPKZWMFJEHP-UHFFFAOYSA-N 0 1 405.407 3.184 50 0 HGAAMN COc1ccc(C2=NOC3=C([O-])N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)cc1OC ZINC000101309846 560791358 /nfs/dbraw/zinc/79/13/58/560791358.db2.gz FISDRHQVSQCEJT-WBVHZDCISA-N 0 1 421.236 3.303 50 0 HGAAMN COc1ccc(C2=NOC3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)cc1OC ZINC000101309846 560791359 /nfs/dbraw/zinc/79/13/59/560791359.db2.gz FISDRHQVSQCEJT-WBVHZDCISA-N 0 1 421.236 3.303 50 0 HGAAMN COc1cccc(C2=NO[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)c1OC ZINC000101315258 560791599 /nfs/dbraw/zinc/79/15/99/560791599.db2.gz JBSCRCHHRYVXCR-PBHICJAKSA-N 0 1 421.236 3.303 50 0 HGAAMN COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]23)cc1OC ZINC000101315225 560791613 /nfs/dbraw/zinc/79/16/13/560791613.db2.gz FKCWRXQHFQSHKJ-CTNGQTDRSA-N 0 1 402.406 3.150 50 0 HGAAMN CCCCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3ccc(OC)cc3)C2)c(=O)[nH]c1=S ZINC000101456283 560795402 /nfs/dbraw/zinc/79/54/02/560795402.db2.gz YFDAALMWDKBKKS-INIZCTEOSA-N 0 1 416.503 3.118 50 0 HGAAMN O=C(CSc1nc([O-])cc(=O)n1C1CCCC1)Nc1ccccc1OC(F)F ZINC000101594398 560797262 /nfs/dbraw/zinc/79/72/62/560797262.db2.gz OSNUIZSERKTJEN-UHFFFAOYSA-N 0 1 411.430 3.396 50 0 HGAAMN O=C(CSc1nc(O)cc(=O)n1C1CCCC1)Nc1ccccc1OC(F)F ZINC000101594398 560797263 /nfs/dbraw/zinc/79/72/63/560797263.db2.gz OSNUIZSERKTJEN-UHFFFAOYSA-N 0 1 411.430 3.396 50 0 HGAAMN CCc1ccccc1NS(=O)(=O)c1cc(-c2n[nH]cc2C(=O)N(C)C)oc1C ZINC000097940948 560849940 /nfs/dbraw/zinc/84/99/40/560849940.db2.gz RFKHWRPKRRJNNQ-UHFFFAOYSA-N 0 1 402.476 3.043 50 0 HGAAMN COC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104985242 560859070 /nfs/dbraw/zinc/85/90/70/560859070.db2.gz RDOBANNLIZKTNV-QZTJIDSGSA-N 0 1 406.885 3.482 50 0 HGAAMN C[C@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012104713 560889205 /nfs/dbraw/zinc/88/92/05/560889205.db2.gz LELJFVXMNLILBS-ZDUSSCGKSA-N 0 1 402.520 3.453 50 0 HGAAMN C[C@H](Sc1n[nH]c(CCC2CCCC2)n1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012104713 560889207 /nfs/dbraw/zinc/88/92/07/560889207.db2.gz LELJFVXMNLILBS-ZDUSSCGKSA-N 0 1 402.520 3.453 50 0 HGAAMN COc1ccc(OCCC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000047539406 560891980 /nfs/dbraw/zinc/89/19/80/560891980.db2.gz RQYZXGHTRKOAIL-KDURUIRLSA-N 0 1 412.530 3.390 50 0 HGAAMN CCc1ccc(NC(=O)[C@@H](C)N2CCN(CCCOCC(F)(F)F)CC2)cc1 ZINC000048332830 568439335 /nfs/dbraw/zinc/43/93/35/568439335.db2.gz TXAWNTLLXBQDIL-MRXNPFEDSA-N 0 1 401.473 3.163 50 0 HGAAMN CCc1ccc(NS(=O)(=O)c2cccnc2N2CCN(c3ccccn3)CC2)cc1 ZINC000049402325 568447989 /nfs/dbraw/zinc/44/79/89/568447989.db2.gz XBYBKNXLGDNWFE-UHFFFAOYSA-N 0 1 423.542 3.166 50 0 HGAAMN O=C(Cc1ccc(F)cc1)NC1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000049406717 568449011 /nfs/dbraw/zinc/44/90/11/568449011.db2.gz WZZARXCAOYXIMU-UHFFFAOYSA-N 0 1 406.461 3.179 50 0 HGAAMN COc1cccc(-c2cc(C(=O)N3CC(c4nc(-c5cccs5)no4)C3)n[nH]2)c1 ZINC000049483949 568450924 /nfs/dbraw/zinc/45/09/24/568450924.db2.gz CWRFUPCNZORVNB-UHFFFAOYSA-N 0 1 407.455 3.436 50 0 HGAAMN COc1ccc(CCNC(=O)[C@H]2CCCN(c3nc4ccc(C)cc4[nH]3)C2)cc1OC ZINC000033071990 568511104 /nfs/dbraw/zinc/51/11/04/568511104.db2.gz ZMBWUCGMVRPBDT-SFHVURJKSA-N 0 1 422.529 3.464 50 0 HGAAMN CCOC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn21 ZINC000071319188 568577744 /nfs/dbraw/zinc/57/77/44/568577744.db2.gz SEKOTFCHZNXZMM-UHFFFAOYSA-N 0 1 422.466 3.374 50 0 in-vitro HGAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)NCCCOC(C)C)cc12 ZINC000020153813 568590830 /nfs/dbraw/zinc/59/08/30/568590830.db2.gz KHGZLHDLRKCTRG-UHFFFAOYSA-N 0 1 415.607 3.397 50 0 HGAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)NC[C@H]4CCCO4)ccc3n2)CC1 ZINC000020153534 568590885 /nfs/dbraw/zinc/59/08/85/568590885.db2.gz WIZJEPDBWAESST-GOSISDBHSA-N 0 1 413.591 3.151 50 0 HGAAMN COc1ccc(CCc2nc(NC(=O)c3ccc4c(c3)OCCCO4)n[nH]2)cc1OC ZINC000095476192 568630162 /nfs/dbraw/zinc/63/01/62/568630162.db2.gz CXDUWJHAFLSTOP-UHFFFAOYSA-N 0 1 424.457 3.021 50 0 HGAAMN COc1ccc(CCc2n[nH]c(NC(=O)c3ccc4c(c3)OCCCO4)n2)cc1OC ZINC000095476192 568630165 /nfs/dbraw/zinc/63/01/65/568630165.db2.gz CXDUWJHAFLSTOP-UHFFFAOYSA-N 0 1 424.457 3.021 50 0 HGAAMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)n[nH]1 ZINC000095479688 568632820 /nfs/dbraw/zinc/63/28/20/568632820.db2.gz HCGJLSKCFMEKSE-UHFFFAOYSA-N 0 1 413.909 3.204 50 0 HGAAMN Cc1nnc(SCc2noc(CCC(=O)Nc3ccc(Br)cc3)n2)[nH]1 ZINC000095481939 568634048 /nfs/dbraw/zinc/63/40/48/568634048.db2.gz JZPZKZVOUBFSPJ-UHFFFAOYSA-N 0 1 423.296 3.122 50 0 HGAAMN Cc1n[nH]c(SCc2noc(CCC(=O)Nc3ccc(Br)cc3)n2)n1 ZINC000095481939 568634049 /nfs/dbraw/zinc/63/40/49/568634049.db2.gz JZPZKZVOUBFSPJ-UHFFFAOYSA-N 0 1 423.296 3.122 50 0 HGAAMN O=S(=O)(Nc1ccc(-n2ccnc2)nc1)c1cccc(Br)c1Cl ZINC000225399012 568634092 /nfs/dbraw/zinc/63/40/92/568634092.db2.gz KLSXVLXEGRERFK-UHFFFAOYSA-N 0 1 413.684 3.484 50 0 HGAAMN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000095949539 568665884 /nfs/dbraw/zinc/66/58/84/568665884.db2.gz PFCQTBJQZLDYPM-GOTSBHOMSA-N 0 1 415.537 3.302 50 0 HGAAMN COc1ccc(N(C[C@H](O)CN2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000864170 568721678 /nfs/dbraw/zinc/72/16/78/568721678.db2.gz QFEWTZBNFSWNKE-HXUWFJFHSA-N 0 1 418.559 3.046 50 0 HGAAMN Cc1c(C(=O)Nc2ccc(F)cc2F)sc2ncnc(N3CCN(C)CC3)c12 ZINC000021636556 568725439 /nfs/dbraw/zinc/72/54/39/568725439.db2.gz QZLJXIWBMJKIRP-UHFFFAOYSA-N 0 1 403.458 3.282 50 0 HGAAMN CC(=O)c1cccc(NC(=O)C[C@@H]2SC(c3cc4ccccc4oc3=O)=NC2=O)c1 ZINC000018992452 568745153 /nfs/dbraw/zinc/74/51/53/568745153.db2.gz JBDZTHUJFPEIGC-SFHVURJKSA-N 0 1 420.446 3.413 50 0 HGAAMN C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022239250 568765683 /nfs/dbraw/zinc/76/56/83/568765683.db2.gz QLIKHVZDCYSUDQ-KRWDZBQOSA-N 0 1 407.543 3.297 50 0 HGAAMN O=C(NC[C@H]1CCCO1)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000002971985 568831957 /nfs/dbraw/zinc/83/19/57/568831957.db2.gz OOFZCOFFHHWNQG-UYSNPLJNSA-N 0 1 401.532 3.161 50 0 HGAAMN COc1ccc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)[nH]n2)c(OC)c1 ZINC000057477094 568839530 /nfs/dbraw/zinc/83/95/30/568839530.db2.gz ABCUXUFRQZNMQS-UHFFFAOYSA-N 0 1 408.458 3.183 50 0 HGAAMN C[C@@H]1CN(CCCNC(=O)N(C)Cc2csc(Br)c2)C[C@H](C)O1 ZINC000057481380 568841389 /nfs/dbraw/zinc/84/13/89/568841389.db2.gz UUCDHYIKTKUAKP-BETUJISGSA-N 0 1 404.374 3.151 50 0 HGAAMN CC1CC[NH+](CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000012521032 568841538 /nfs/dbraw/zinc/84/15/38/568841538.db2.gz HTJWDXPMDIIVCQ-UHFFFAOYSA-N 0 1 415.559 3.339 50 0 HGAAMN CCOc1cc2c(cc1COC(=O)c1ccccc1NS(C)(=O)=O)O[C@H](C)C2 ZINC000012532474 568844355 /nfs/dbraw/zinc/84/43/55/568844355.db2.gz JLVOBUWCAJIDRF-CYBMUJFWSA-N 0 1 405.472 3.137 50 0 HGAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(F)cc3)C[C@H]1[C@H](C(=O)NC(C)C)C2 ZINC000230138092 568851256 /nfs/dbraw/zinc/85/12/56/568851256.db2.gz MGAJNFHGUSLJQZ-GGAORHGYSA-N 0 1 411.521 3.222 50 0 HGAAMN CCOC(=O)C1=C(CN(C)[C@@H]2CCCc3ccccc32)NC(=O)N[C@H]1c1ccco1 ZINC000057704376 568858604 /nfs/dbraw/zinc/85/86/04/568858604.db2.gz JVIBEVQYMAWWOF-NQIIRXRSSA-N 0 1 409.486 3.460 50 0 HGAAMN CCOC(=O)CCN(CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)CC1CC1 ZINC000058134352 568889983 /nfs/dbraw/zinc/88/99/83/568889983.db2.gz QSKJHWCDQABUMG-UHFFFAOYSA-N 0 1 422.547 3.017 50 0 HGAAMN COc1c2c(cc3c1[C@H](C[C@H](O)CCc1ccc4c(c1)OCO4)N(C)CC3)OCO2 ZINC000004042832 568935965 /nfs/dbraw/zinc/93/59/65/568935965.db2.gz SDGLWTATVZQCPU-SJORKVTESA-N 0 1 413.470 3.065 50 0 biogenic HGAAMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1 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/nfs/dbraw/zinc/56/06/97/558560697.db2.gz LQTCESDAGZKRKD-UHFFFAOYSA-N 0 1 415.559 3.482 50 0 HGAAMN CCc1c(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)cnn1-c1cccc(Cl)c1 ZINC000024571143 558601233 /nfs/dbraw/zinc/60/12/33/558601233.db2.gz HIDCWGAMYLGFRM-GOSISDBHSA-N 0 1 404.942 3.175 50 0 HGAAMN CCn1c(SCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)nnc1-c1ccco1 ZINC000024762593 558611070 /nfs/dbraw/zinc/61/10/70/558611070.db2.gz OGIXFFLAHYLXLM-KRWDZBQOSA-N 0 1 411.531 3.041 50 0 HGAAMN Cc1ccccc1C(=O)N1CCC(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC000025631781 558646450 /nfs/dbraw/zinc/64/64/50/558646450.db2.gz NIZIJRSVMISBIE-HXUWFJFHSA-N 0 1 419.569 3.410 50 0 HGAAMN Cc1nc(C(=O)N[C@@H](C)c2cccc3ccccc32)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000072259913 558653869 /nfs/dbraw/zinc/65/38/69/558653869.db2.gz XCTGBVCREDXCHT-JTQLQIEISA-N 0 1 415.379 3.357 50 0 HGAAMN Cc1ccccc1OCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCN(C)CC1 ZINC000027793301 558682714 /nfs/dbraw/zinc/68/27/14/558682714.db2.gz WVMUIGIBPLKRIR-HXUWFJFHSA-N 0 1 401.938 3.132 50 0 HGAAMN CCOc1ccccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCN(C)CC1 ZINC000028287463 558694687 /nfs/dbraw/zinc/69/46/87/558694687.db2.gz RDVSZDJWEQGXAO-FQEVSTJZSA-N 0 1 401.938 3.457 50 0 HGAAMN Cc1cccc(-n2ccnc2CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)c1 ZINC000015063418 558705994 /nfs/dbraw/zinc/70/59/94/558705994.db2.gz KLOLKYCWZSNMMZ-QFIPXVFZSA-N 0 1 410.562 3.468 50 0 HGAAMN COCCNC(=O)c1ccc(OC2CCN(Cc3cccnc3)CC2)c(Cl)c1 ZINC000015070688 558712558 /nfs/dbraw/zinc/71/25/58/558712558.db2.gz MVJJCKVXPDSIAY-UHFFFAOYSA-N 0 1 403.910 3.155 50 0 HGAAMN Cc1cc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)ccc1Br ZINC000029435476 558715211 /nfs/dbraw/zinc/71/52/11/558715211.db2.gz BUWRPLZQRYHERI-UHFFFAOYSA-N 0 1 412.309 3.122 50 0 HGAAMN COc1ccc([C@H]2CCCN2CC(=O)N2CCN(CCOc3ccccc3)CC2)cc1 ZINC000015300700 558731112 /nfs/dbraw/zinc/73/11/12/558731112.db2.gz DUCGDSYLMDPAHA-XMMPIXPASA-N 0 1 423.557 3.055 50 0 HGAAMN O=C(c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)N1CCOCC1 ZINC000015420817 558739549 /nfs/dbraw/zinc/73/95/49/558739549.db2.gz XFKFHEZEUPIGGR-UHFFFAOYSA-N 0 1 415.298 3.267 50 0 HGAAMN COc1cccc(NC(=O)CC2SC(CC(=O)Nc3ccccc3C)=NC2=O)c1 ZINC000015525455 558742375 /nfs/dbraw/zinc/74/23/75/558742375.db2.gz VIMJJFPCCGAUSI-QGZVFWFLSA-N 0 1 411.483 3.402 50 0 HGAAMN COc1cccc(NC(=O)C[C@H]2SC(CC(=O)Nc3ccccc3C)=NC2=O)c1 ZINC000015525455 558742376 /nfs/dbraw/zinc/74/23/76/558742376.db2.gz VIMJJFPCCGAUSI-QGZVFWFLSA-N 0 1 411.483 3.402 50 0 HGAAMN CC[C@@H]1CN(Cc2ccccc2)CCN1C(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000072303028 558755590 /nfs/dbraw/zinc/75/55/90/558755590.db2.gz JIESTORFQQGAEV-JOCHJYFZSA-N 0 1 405.542 3.479 50 0 HGAAMN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000072304915 558756761 /nfs/dbraw/zinc/75/67/61/558756761.db2.gz YAYOMZWHQGTVCH-WMZOPIPTSA-N 0 1 413.484 3.123 50 0 HGAAMN Cc1cccc2nc(CN(C)C(=O)[C@@H]3CCC(=O)N(CCc4ccccc4)C3)[nH]c21 ZINC000015936288 558763006 /nfs/dbraw/zinc/76/30/06/558763006.db2.gz YGKQHJPULNVFLU-LJQANCHMSA-N 0 1 404.514 3.311 50 0 HGAAMN COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(O)=C23)c(OC)c1 ZINC000016007635 558766300 /nfs/dbraw/zinc/76/63/00/558766300.db2.gz BLVGVUYRANKNAF-RDJZCZTQSA-N 0 1 421.236 3.303 50 0 HGAAMN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCc2nc[nH]c2C1)OC(C)(C)CC3 ZINC000013571194 558844600 /nfs/dbraw/zinc/84/46/00/558844600.db2.gz QWRALOFBFXGTQU-UHFFFAOYSA-N 0 1 421.497 3.446 50 0 biogenic HGAAMN Cc1ccc2nc(N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)[nH]c2c1 ZINC000033070700 558866100 /nfs/dbraw/zinc/86/61/00/558866100.db2.gz GABLYKMSSQSAOI-UHFFFAOYSA-N 0 1 403.530 3.437 50 0 HGAAMN Cc1c(C(=O)NCCCc2ccccc2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048319 558885326 /nfs/dbraw/zinc/88/53/26/558885326.db2.gz WQABBZXEPQXVOB-UHFFFAOYSA-N 0 1 409.559 3.114 50 0 HGAAMN NC(=O)c1c(NC(=O)CNC2(c3ccc(F)cc3)CCC2)sc2c1CCCC2 ZINC000058209607 558911912 /nfs/dbraw/zinc/91/19/12/558911912.db2.gz QUTJRJHTABOXGS-UHFFFAOYSA-N 0 1 401.507 3.472 50 0 HGAAMN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1 ZINC000058250098 558915134 /nfs/dbraw/zinc/91/51/34/558915134.db2.gz ZZOSSAHYHQFDKR-UHFFFAOYSA-N 0 1 421.906 3.117 50 0 HGAAMN C[C@H](CNC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1)N1CCc2ccccc2C1 ZINC000058415928 558925208 /nfs/dbraw/zinc/92/52/08/558925208.db2.gz JBJMMQAHGMGAEP-RTBURBONSA-N 0 1 410.537 3.398 50 0 HGAAMN Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000097940953 558945959 /nfs/dbraw/zinc/94/59/59/558945959.db2.gz WIUJRDLUBLPPPK-UHFFFAOYSA-N 0 1 402.476 3.098 50 0 HGAAMN Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC(c3[nH]ncc3Cc3ccccc3)CC2)n1 ZINC000077472014 559006690 /nfs/dbraw/zinc/00/66/90/559006690.db2.gz JPWLYLHRSPNWFC-MRXNPFEDSA-N 0 1 406.534 3.251 50 0 HGAAMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000023106611 559010101 /nfs/dbraw/zinc/01/01/01/559010101.db2.gz VYXCVHSELHOVII-ZDUSSCGKSA-N 0 1 401.410 3.004 50 0 HGAAMN CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1 ZINC000023127691 559016084 /nfs/dbraw/zinc/01/60/84/559016084.db2.gz AAOOCWUUNZIXBZ-UHFFFAOYSA-N 0 1 419.547 3.065 50 0 HGAAMN O=C(C1CC1)N1CCc2nc[nH]c2C12CCN(Cc1ccc(F)c(F)c1F)CC2 ZINC000095520457 559085113 /nfs/dbraw/zinc/08/51/13/559085113.db2.gz FDDCMQRSPBWSNR-UHFFFAOYSA-N 0 1 404.436 3.113 50 0 HGAAMN O=C(c1cnco1)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000095520812 559085322 /nfs/dbraw/zinc/08/53/22/559085322.db2.gz AEQZPVSHWPPXLI-LJQANCHMSA-N 0 1 401.482 3.347 50 0 HGAAMN COc1ccc(CN2CCOCCN(Cc3ccc(OC)cc3)CCOCC2)cc1 ZINC000004899018 559199052 /nfs/dbraw/zinc/19/90/52/559199052.db2.gz RXQPORAVEQBPSG-UHFFFAOYSA-N 0 1 414.546 3.055 50 0 HGAAMN Cn1cccc1[C@@H](CNC(=O)C(=O)NCCC1=CCCCC1)N1CCCCCC1 ZINC000011898757 559265586 /nfs/dbraw/zinc/26/55/86/559265586.db2.gz KJONXLNYNFZYMQ-OAQYLSRUSA-N 0 1 400.567 3.065 50 0 HGAAMN COCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(O)c(OC)c1 ZINC000005343738 560566592 /nfs/dbraw/zinc/56/65/92/560566592.db2.gz IXUMDSXAQBBWHO-OAQYLSRUSA-N 0 1 409.442 3.078 50 0 HGAAMN COc1cn(CC(=O)Nc2ccc(Cl)cc2)c(CN2CCC(C)CC2)cc1=O ZINC000017246001 560705597 /nfs/dbraw/zinc/70/55/97/560705597.db2.gz OWTUSYJPTBZCHJ-UHFFFAOYSA-N 0 1 403.910 3.381 50 0 HGAAMN COc1ccccc1[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CS2)N1CCCC1 ZINC000017793852 560728330 /nfs/dbraw/zinc/72/83/30/560728330.db2.gz SBNPJMPVVFWVDC-GOSISDBHSA-N 0 1 411.527 3.306 50 0 HGAAMN COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(O)=C23)c(OC)c1 ZINC000101358732 560792466 /nfs/dbraw/zinc/79/24/66/560792466.db2.gz BLVGVUYRANKNAF-NVXWUHKLSA-N 0 1 421.236 3.303 50 0 HGAAMN O=C1[C@@H]2ON=C(c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101359368 560792528 /nfs/dbraw/zinc/79/25/28/560792528.db2.gz KJXVBINEFMPFBK-UKRRQHHQSA-N 0 1 405.635 3.395 50 0 HGAAMN C[C@@H]1C[C@H](C)[C@@H]2N(C1)c1ccccc1C[C@]21C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000103406103 560841700 /nfs/dbraw/zinc/84/17/00/560841700.db2.gz ICFQVZKELAHHIM-WQYJIASKSA-N 0 1 403.482 3.363 50 0 HGAAMN CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318467 560858668 /nfs/dbraw/zinc/85/86/68/560858668.db2.gz YDVYEGBLSOQILM-JOCHJYFZSA-N 0 1 405.498 3.224 50 0 HGAAMN C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012104712 560889223 /nfs/dbraw/zinc/88/92/23/560889223.db2.gz LELJFVXMNLILBS-CYBMUJFWSA-N 0 1 402.520 3.453 50 0 HGAAMN C[C@@H](Sc1n[nH]c(CCC2CCCC2)n1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012104712 560889225 /nfs/dbraw/zinc/88/92/25/560889225.db2.gz LELJFVXMNLILBS-CYBMUJFWSA-N 0 1 402.520 3.453 50 0 HGAAMN CCCN(Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000045974067 568422774 /nfs/dbraw/zinc/42/27/74/568422774.db2.gz VLJOMJHXUATHMX-UHFFFAOYSA-N 0 1 411.502 3.441 50 0 HGAAMN O=S(=O)(NC[C@H](c1cccs1)N1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000049611759 568452548 /nfs/dbraw/zinc/45/25/48/568452548.db2.gz NHQYKAKJOLYWQH-MRXNPFEDSA-N 0 1 408.545 3.372 50 0 HGAAMN CSc1ccc(CN(C)[C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000014931401 568456291 /nfs/dbraw/zinc/45/62/91/568456291.db2.gz SLFCISHXHLQVQT-AWEZNQCLSA-N 0 1 415.515 3.348 50 0 HGAAMN CC[C@H](C)[C@@H](CO)NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000012296806 568462439 /nfs/dbraw/zinc/46/24/39/568462439.db2.gz LVUCAFLVXMAPCB-WMLDXEAASA-N 0 1 411.454 3.068 50 0 biogenic HGAAMN CCOc1ccc(S(=O)(=O)NC[C@@H](c2cn(C)c3ccccc23)N(C)C)cc1F ZINC000021696220 568466969 /nfs/dbraw/zinc/46/69/69/568466969.db2.gz VWXAQFPUZMPXDQ-FQEVSTJZSA-N 0 1 419.522 3.297 50 0 HGAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)n1 ZINC000000755064 568472056 /nfs/dbraw/zinc/47/20/56/568472056.db2.gz RIKAUWSRRCJDOX-UHFFFAOYSA-N 0 1 418.425 3.425 50 0 HGAAMN COc1ccc([C@H]2[C@@H](C(=O)Nc3nc(C(C)C)n[nH]3)c3ccccc3C(=O)N2C)cc1 ZINC000218201989 568476320 /nfs/dbraw/zinc/47/63/20/568476320.db2.gz IZGGAKKFOBTDOX-OALUTQOASA-N 0 1 419.485 3.486 50 0 HGAAMN COc1ccc([C@H]2[C@@H](C(=O)Nc3n[nH]c(C(C)C)n3)c3ccccc3C(=O)N2C)cc1 ZINC000218201989 568476322 /nfs/dbraw/zinc/47/63/22/568476322.db2.gz IZGGAKKFOBTDOX-OALUTQOASA-N 0 1 419.485 3.486 50 0 HGAAMN CS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3ccc(F)cc3Cl)cc2s1 ZINC000033298943 568513178 /nfs/dbraw/zinc/51/31/78/568513178.db2.gz OCVLSYZSUCMWNA-UHFFFAOYSA-N 0 1 420.896 3.293 50 0 HGAAMN CN(C)[C@H](CNC(=O)c1ccc(I)cc1)c1cccs1 ZINC000025608089 568530666 /nfs/dbraw/zinc/53/06/66/568530666.db2.gz JFKRFUSPIWQCEV-CYBMUJFWSA-N 0 1 400.285 3.385 50 0 HGAAMN COC(=O)c1ccc(NC(=O)CN2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000095446866 568612288 /nfs/dbraw/zinc/61/22/88/568612288.db2.gz GAGWEWFPICFKQA-QGZVFWFLSA-N 0 1 406.486 3.476 50 0 HGAAMN COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000020763370 568642665 /nfs/dbraw/zinc/64/26/65/568642665.db2.gz YDBCGNDDHHQXLG-FQEVSTJZSA-N 0 1 420.425 3.105 50 0 biogenic HGAAMN O=S(=O)(CCCOc1ccc(F)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000012440828 568723546 /nfs/dbraw/zinc/72/35/46/568723546.db2.gz XLSNMCWUYYLVFQ-UHFFFAOYSA-N 0 1 406.523 3.179 50 0 HGAAMN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@@H](C)c3n[nH]c([C@@H](C)CC)n3)cc2)c1C ZINC000241439988 568731264 /nfs/dbraw/zinc/73/12/64/568731264.db2.gz NOCRCJHYLJOHJT-KBPBESRZSA-N 0 1 424.505 3.480 50 0 HGAAMN Cc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)cc1F ZINC000096324700 568734225 /nfs/dbraw/zinc/73/42/25/568734225.db2.gz NDWKTNIQZHDCPE-UHFFFAOYSA-N 0 1 407.449 3.410 50 0 HGAAMN Cc1[nH]c(C)c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1-c1nc(C2CC2)no1 ZINC000096379853 568741700 /nfs/dbraw/zinc/74/17/00/568741700.db2.gz DIBIFZZQEMVKHO-UHFFFAOYSA-N 0 1 416.459 3.131 50 0 HGAAMN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)CC2=O)c1C ZINC000029369691 568825045 /nfs/dbraw/zinc/82/50/45/568825045.db2.gz NTHWFDBNQCQIAK-HXUWFJFHSA-N 0 1 420.557 3.355 50 0 HGAAMN COC(=O)C1C(CN2CCc3ccccc3C2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000057415045 568833573 /nfs/dbraw/zinc/83/35/73/568833573.db2.gz PIDZIGOBUZKJSV-FQEVSTJZSA-N 0 1 411.889 3.179 50 0 HGAAMN Cc1[nH]c(SCC(=O)N2CCN(Cc3ccncc3)CC2)nc1Cc1ccccc1 ZINC000012506894 568839433 /nfs/dbraw/zinc/83/94/33/568839433.db2.gz TWKABDMSCUVVID-UHFFFAOYSA-N 0 1 421.570 3.140 50 0 HGAAMN Cc1ccc(Oc2ccccc2NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000012525866 568842868 /nfs/dbraw/zinc/84/28/68/568842868.db2.gz DRMXHOYXORBNTH-UHFFFAOYSA-N 0 1 418.496 3.236 50 0 HGAAMN COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1c(C)nn(C)c1C ZINC000012526382 568843323 /nfs/dbraw/zinc/84/33/23/568843323.db2.gz XSTKDEIJBJPNSB-UHFFFAOYSA-N 0 1 408.705 3.262 50 0 HGAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000012542111 568848702 /nfs/dbraw/zinc/84/87/02/568848702.db2.gz YCHDPIOGZBQRQP-LJQANCHMSA-N 0 1 412.559 3.052 50 0 HGAAMN O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1c(Cl)cccc1Cl ZINC000012604520 568870574 /nfs/dbraw/zinc/87/05/74/568870574.db2.gz JMHKRCUJEAUWJV-UHFFFAOYSA-N 0 1 421.327 3.334 50 0 HGAAMN O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(Cc2ccsc2)CC1 ZINC000299796503 568876198 /nfs/dbraw/zinc/87/61/98/568876198.db2.gz OJZKEPSIEDNBEA-FQEVSTJZSA-N 0 1 404.507 3.158 50 0 HGAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2c(c1)CCCC2 ZINC000003313228 568878809 /nfs/dbraw/zinc/87/88/09/568878809.db2.gz PDGMRVNHPPIAPQ-UHFFFAOYSA-N 0 1 408.483 3.409 50 0 HGAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1ccccc1Br)CC(=O)N2 ZINC000031807800 568931743 /nfs/dbraw/zinc/93/17/43/568931743.db2.gz QOJNAJCZNKFGBP-NSHDSACASA-N 0 1 424.262 3.084 50 0 HGAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@H](c1cccc(Cl)c1)SCC(=O)N2 ZINC000031810918 568932388 /nfs/dbraw/zinc/93/23/88/568932388.db2.gz MQDJCLBEDARXFS-HNNXBMFYSA-N 0 1 411.878 3.275 50 0 HGAAMN COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCCC2)ccc1O ZINC000004063659 568937371 /nfs/dbraw/zinc/93/73/71/568937371.db2.gz WTNJGYFYMAQZAK-TZYHBYERSA-N 0 1 402.535 3.081 50 0 biogenic HGAAMN COc1ccc([C@@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)N2CCCC2)cc1 ZINC000008193163 568981808 /nfs/dbraw/zinc/98/18/08/568981808.db2.gz WMCRFTYKQKPIRV-JOCHJYFZSA-N 0 1 407.514 3.389 50 0 HGAAMN O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cc(-c2ccco2)n[nH]1 ZINC000038486344 568996990 /nfs/dbraw/zinc/99/69/90/568996990.db2.gz JFIWMXILGRLWEZ-UHFFFAOYSA-N 0 1 416.441 3.216 50 0 HGAAMN O=C(CN1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1)NC[C@H]1CCCO1 ZINC000038535992 568998160 /nfs/dbraw/zinc/99/81/60/568998160.db2.gz BOLYXDIHORVLGD-MRXNPFEDSA-N 0 1 424.467 3.062 50 0 HGAAMN Cc1oc(-c2ccc(C(=O)NC3CCCC3)cc2)nc1CN1CCC(C(N)=O)CC1 ZINC000015774998 568999165 /nfs/dbraw/zinc/99/91/65/568999165.db2.gz OVAHLTALZQCITG-UHFFFAOYSA-N 0 1 410.518 3.020 50 0 HGAAMN Cc1cc(N2CCCC2)nc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000015825110 569011373 /nfs/dbraw/zinc/01/13/73/569011373.db2.gz WSMBAYMERJHIBF-UHFFFAOYSA-N 0 1 400.914 3.393 50 0 HGAAMN COCC(=O)Nc1cc2sc(NS(=O)(=O)c3ccc(C)cc3)nc2c(C)c1 ZINC000015862044 569015555 /nfs/dbraw/zinc/01/55/55/569015555.db2.gz NAKZQXJWKJUYRJ-UHFFFAOYSA-N 0 1 405.501 3.299 50 0 HGAAMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 ZINC000575615612 569036367 /nfs/dbraw/zinc/03/63/67/569036367.db2.gz FFZRNSVNCBAIQX-AWEZNQCLSA-N 0 1 405.483 3.325 50 0 HGAAMN COc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@@H](O)COCC(C)C)cc1 ZINC000036102322 569091823 /nfs/dbraw/zinc/09/18/23/569091823.db2.gz DWBZVXQFUKHYOD-HXUWFJFHSA-N 0 1 401.503 3.460 50 0 HGAAMN CCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169679992 569126767 /nfs/dbraw/zinc/12/67/67/569126767.db2.gz XZKSEUOVYCDAFR-UNMCSNQZSA-N 0 1 413.949 3.348 50 0 HGAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1Cl ZINC000064946729 569128419 /nfs/dbraw/zinc/12/84/19/569128419.db2.gz RLSRWQJATQYHTQ-UHFFFAOYSA-N 0 1 400.865 3.061 50 0 HGAAMN COc1ccc(-c2nnc(CCNC(=O)c3ccccc3Br)[nH]2)cc1F ZINC000064969436 569138019 /nfs/dbraw/zinc/13/80/19/569138019.db2.gz KQHWBDCKOJAGPA-UHFFFAOYSA-N 0 1 419.254 3.354 50 0 HGAAMN Cc1ccc(Cc2nc(CCNS(=O)(=O)c3ccc(F)c(Cl)c3)n[nH]2)cc1 ZINC000064969643 569138438 /nfs/dbraw/zinc/13/84/38/569138438.db2.gz OCQVAPMGYBFLQM-UHFFFAOYSA-N 0 1 408.886 3.017 50 0 HGAAMN CC(C)c1ccc(S(=O)(=O)NCCc2n[nH]c(Cc3cccc(F)c3)n2)cc1 ZINC000064969781 569138608 /nfs/dbraw/zinc/13/86/08/569138608.db2.gz FHLRBDLAVCHPCU-UHFFFAOYSA-N 0 1 402.495 3.179 50 0 HGAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000036341294 569141814 /nfs/dbraw/zinc/14/18/14/569141814.db2.gz YXSGMZINLQVOPX-HSZRJFAPSA-N 0 1 424.520 3.150 50 0 HGAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000036341155 569141827 /nfs/dbraw/zinc/14/18/27/569141827.db2.gz JWAOEDROZRAGKG-HSZRJFAPSA-N 0 1 424.520 3.150 50 0 HGAAMN Cc1cccc(NS(=O)(=O)c2cc(C)ccc2N2C(=O)c3cccnc3C2=O)c1 ZINC000006919496 569181606 /nfs/dbraw/zinc/18/16/06/569181606.db2.gz GEHKHBCAIAGCJN-UHFFFAOYSA-N 0 1 407.451 3.300 50 0 HGAAMN O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1Cl ZINC000006919741 569181694 /nfs/dbraw/zinc/18/16/94/569181694.db2.gz VJPMRMWHQLHBCE-UHFFFAOYSA-N 0 1 414.936 3.315 50 0 HGAAMN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1 ZINC000036569625 569200927 /nfs/dbraw/zinc/20/09/27/569200927.db2.gz PUKXFBWYIOKBGX-NVXWUHKLSA-N 0 1 422.938 3.015 50 0 HGAAMN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1Cl ZINC000036584944 569202973 /nfs/dbraw/zinc/20/29/73/569202973.db2.gz SVJDYRSDTMPDNG-NVXWUHKLSA-N 0 1 422.938 3.015 50 0 HGAAMN COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1F)C(C)C ZINC000036585105 569203104 /nfs/dbraw/zinc/20/31/04/569203104.db2.gz JTLHSIAIPABSJO-WBVHZDCISA-N 0 1 408.861 3.057 50 0 HGAAMN COc1ccc2nc(S[C@H](C)C(=O)Nc3sc4c(c3C(N)=O)CCC4)[nH]c2c1 ZINC000007096728 569219562 /nfs/dbraw/zinc/21/95/62/569219562.db2.gz XCHYZMUBNAHFGN-SECBINFHSA-N 0 1 416.528 3.340 50 0 HGAAMN O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000037238672 569241447 /nfs/dbraw/zinc/24/14/47/569241447.db2.gz PYRMPYBBYPZIHI-IMIIHFCZSA-N 0 1 423.472 3.271 50 0 biogenic HGAAMN C[C@@H]1CN(C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CCN1CC(C)(C)O ZINC000170602688 569243713 /nfs/dbraw/zinc/24/37/13/569243713.db2.gz DDNVCGNCXUWTBV-LJQANCHMSA-N 0 1 418.541 3.457 50 0 HGAAMN Cc1nn(C)c(C)c1CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000170619589 569248336 /nfs/dbraw/zinc/24/83/36/569248336.db2.gz CPPBHCCTXOFCRT-MOPGFXCFSA-N 0 1 409.452 3.433 50 0 HGAAMN C[C@@H](NC(=O)CN1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000251618576 569260258 /nfs/dbraw/zinc/26/02/58/569260258.db2.gz HKPHTTBPOFZVSX-FIXDAVPBSA-N 0 1 413.606 3.316 50 0 HGAAMN CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)o1 ZINC000000804351 569276731 /nfs/dbraw/zinc/27/67/31/569276731.db2.gz VAMKSKNLTHOIGT-UHFFFAOYSA-N 0 1 400.460 3.302 50 0 HGAAMN Cc1ccc(C(=O)/N=c2\sc3cc(C)ccc3n2[C@H](C)C(=O)NCCN(C)C)cc1 ZINC000037428472 569298780 /nfs/dbraw/zinc/29/87/80/569298780.db2.gz XVONOJMYXHXYOG-NPPSCJOGSA-N 0 1 424.570 3.300 50 0 HGAAMN C[C@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000007780805 569310081 /nfs/dbraw/zinc/31/00/81/569310081.db2.gz BSYKVMBNFFJCIM-JHMRYYBSSA-N 0 1 405.516 3.389 50 0 HGAAMN Cc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)c1 ZINC000252695143 569320292 /nfs/dbraw/zinc/32/02/92/569320292.db2.gz VPMFYHWUKMLBMB-CVGQSACLSA-N 0 1 424.585 3.402 50 0 biogenic HGAAMN C[C@H]1SCCN(C(=O)c2cccc(C(=O)N3CCS[C@@H](C)[C@@H]3C)c2O)[C@@H]1C ZINC000253424364 569367945 /nfs/dbraw/zinc/36/79/45/569367945.db2.gz FFDWXPJAGOWYLK-NMWPEEMBSA-N 0 1 408.589 3.324 50 0 HGAAMN C[C@H]1SCCN(C(=O)c2cccc(C(=O)N3CCS[C@@H](C)[C@H]3C)c2O)[C@H]1C ZINC000253424366 569368046 /nfs/dbraw/zinc/36/80/46/569368046.db2.gz FFDWXPJAGOWYLK-PYHGIMPFSA-N 0 1 408.589 3.324 50 0 HGAAMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cnc3nc(C)cc(C)n23)cc1 ZINC000078998835 569423424 /nfs/dbraw/zinc/42/34/24/569423424.db2.gz XYAWXZZJCTZQQI-QGZVFWFLSA-N 0 1 415.563 3.227 50 0 HGAAMN COc1ccc(NC(C)=O)cc1NC(=O)CSc1nc(-c2cccs2)n[nH]1 ZINC000008528280 571074817 /nfs/dbraw/zinc/07/48/17/571074817.db2.gz WHGWBHHMEISTKJ-UHFFFAOYSA-N 0 1 403.489 3.231 50 0 HGAAMN COc1ccc([C@H](CNC(=O)c2ccc(-n3cncn3)cc2)N2CCCCC2)cc1 ZINC000008709512 571104517 /nfs/dbraw/zinc/10/45/17/571104517.db2.gz XNSRTJZSUUPQOW-QFIPXVFZSA-N 0 1 405.502 3.233 50 0 HGAAMN CCCN1c2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2CCC1=O ZINC000008840534 571123496 /nfs/dbraw/zinc/12/34/96/571123496.db2.gz YACYVSLWYHQKRY-UHFFFAOYSA-N 0 1 404.488 3.194 50 0 HGAAMN CN1CCN(Cc2ccc(NC(=O)Cc3ccc(Br)cc3)cc2)CC1 ZINC000040089756 571159676 /nfs/dbraw/zinc/15/96/76/571159676.db2.gz KTMVVKNBBTWUMW-UHFFFAOYSA-N 0 1 402.336 3.378 50 0 HGAAMN CCN(CC)c1ccc(NC(C)=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000008974673 571197482 /nfs/dbraw/zinc/19/74/82/571197482.db2.gz YOKINWYFHNSJDT-CAPFRKAQSA-N 0 1 406.486 3.497 50 0 HGAAMN CC[NH+](CC)c1ccc(NC(C)=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000008974673 571197483 /nfs/dbraw/zinc/19/74/83/571197483.db2.gz YOKINWYFHNSJDT-CAPFRKAQSA-N 0 1 406.486 3.497 50 0 HGAAMN COc1ccc2oc(C(=O)NCCN3CCN(Cc4ccccc4)CC3)c(C)c2c1 ZINC000069249493 571216042 /nfs/dbraw/zinc/21/60/42/571216042.db2.gz ONYHDZSSDKLDDQ-UHFFFAOYSA-N 0 1 407.514 3.297 50 0 HGAAMN CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000009130296 571227480 /nfs/dbraw/zinc/22/74/80/571227480.db2.gz DLOWHWGADDKEEO-UHFFFAOYSA-N 0 1 424.725 3.307 50 0 HGAAMN 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/nfs/dbraw/zinc/08/36/78/559083678.db2.gz KYUAWVDAYNVJLN-SFHVURJKSA-N 0 1 400.445 3.319 50 0 HGAAMN C[C@@H](O)c1nc2ccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cc2[nH]1 ZINC000096148099 559098735 /nfs/dbraw/zinc/09/87/35/559098735.db2.gz NRHPNWGZEPTIJV-CYBMUJFWSA-N 0 1 403.529 3.021 50 0 HGAAMN C[C@H](CN1CCc2ccccc2C1)NC(=O)c1c(Cl)c(C(F)(F)F)nn1C ZINC000097717252 559120561 /nfs/dbraw/zinc/12/05/61/559120561.db2.gz BJUWVZPRLWYBFK-LLVKDONJSA-N 0 1 400.832 3.269 50 0 HGAAMN COC(=O)C[C@H](c1ccc2ncccc2c1)c1c(O)nc2ccc(Cl)cn2c1=O ZINC000205972511 559197787 /nfs/dbraw/zinc/19/77/87/559197787.db2.gz GWWCYOBPSRJXEE-OAHLLOKOSA-N 0 1 409.829 3.297 50 0 HGAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CC(=O)NC4CCC(C)CC4)c3=O)c2c1 ZINC000004951643 559215841 /nfs/dbraw/zinc/21/58/41/559215841.db2.gz IXFGXIKUVJROBS-UHFFFAOYSA-N 0 1 400.504 3.244 50 0 HGAAMN COC(=O)C1C(CSc2ccc(OC)cc2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000005018153 559228701 /nfs/dbraw/zinc/22/87/01/559228701.db2.gz PPSBRWAYAUCMGI-LJQANCHMSA-N 0 1 414.483 3.277 50 0 HGAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccc(N2CCOCC2)cc1 ZINC000033756609 559241656 /nfs/dbraw/zinc/24/16/56/559241656.db2.gz ZHRJEAGZQYSLIC-UHFFFAOYSA-N 0 1 401.517 3.101 50 0 HGAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCCO)cc1 ZINC000005342683 560568046 /nfs/dbraw/zinc/56/80/46/560568046.db2.gz YZTJQMRLDPMEFB-NRFANRHFSA-N 0 1 407.470 3.335 50 0 HGAAMN COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]23)cc1OC ZINC000102886363 560834231 /nfs/dbraw/zinc/83/42/31/560834231.db2.gz FKCWRXQHFQSHKJ-TZIWHRDSSA-N 0 1 402.406 3.150 50 0 HGAAMN O=S(=O)(Nc1ccccc1-n1cnnn1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000047328514 560886145 /nfs/dbraw/zinc/88/61/45/560886145.db2.gz PUDAUTWNXBQOGV-UHFFFAOYSA-N 0 1 403.773 3.135 50 0 HGAAMN CN1CCN(c2nc3nn(Cc4ccccc4)c(N)c3c(-c3ccccc3F)n2)CC1 ZINC000044854572 560897553 /nfs/dbraw/zinc/89/75/53/560897553.db2.gz RMSMIELWZNLWKH-UHFFFAOYSA-N 0 1 417.492 3.015 50 0 HGAAMN CN(C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccsc1 ZINC000048249071 568433393 /nfs/dbraw/zinc/43/33/93/568433393.db2.gz QQTZSUVRGRUIJQ-YLJYHZDGSA-N 0 1 417.550 3.087 50 0 HGAAMN CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)o1 ZINC000048311862 568436986 /nfs/dbraw/zinc/43/69/86/568436986.db2.gz IAGQNDGHGRMTNW-UHFFFAOYSA-N 0 1 414.418 3.122 50 0 HGAAMN Cc1ccc(-c2noc(CCCN3CCCN(C(=O)c4ccccn4)CC3)n2)cc1F ZINC000048299533 568437097 /nfs/dbraw/zinc/43/70/97/568437097.db2.gz QSPWYOHVGHZCQD-UHFFFAOYSA-N 0 1 423.492 3.360 50 0 HGAAMN COc1ccc(-c2cc(C(=O)N3CCC(NC(=O)Cc4cccs4)CC3)n[nH]2)cc1 ZINC000049406760 568449026 /nfs/dbraw/zinc/44/90/26/568449026.db2.gz PKCLNMLJRWXGAV-UHFFFAOYSA-N 0 1 424.526 3.110 50 0 HGAAMN COc1ccc(C(=O)NC2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)cc1 ZINC000049406629 568449051 /nfs/dbraw/zinc/44/90/51/568449051.db2.gz NXNSBBWCJUZTLL-UHFFFAOYSA-N 0 1 422.460 3.259 50 0 HGAAMN COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(OC)cc2)cc1 ZINC000020763148 568642725 /nfs/dbraw/zinc/64/27/25/568642725.db2.gz JCDZEPHPMNLIBV-HXUWFJFHSA-N 0 1 406.442 3.385 50 0 biogenic HGAAMN C[C@@H](c1ncc(Br)cn1)N(C)CCN1CCN(c2ccccc2)CC1 ZINC000225521182 568646380 /nfs/dbraw/zinc/64/63/80/568646380.db2.gz GZQZZPJUUNWKAM-INIZCTEOSA-N 0 1 404.356 3.054 50 0 HGAAMN CN(CC(=O)Nc1cccc(CSc2ccccn2)c1)C1(CCO)CCOCC1 ZINC000095995985 568678914 /nfs/dbraw/zinc/67/89/14/568678914.db2.gz ZAIYARUOXWKPFR-UHFFFAOYSA-N 0 1 415.559 3.176 50 0 HGAAMN Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)[nH]n2)C1 ZINC000096324645 568733916 /nfs/dbraw/zinc/73/39/16/568733916.db2.gz AZABNHLLUZZZQR-MRXNPFEDSA-N 0 1 407.449 3.410 50 0 HGAAMN CCc1nnc(-c2[nH]c(C)c(S(=O)(=O)Nc3cc(OC)cc(OC)c3)c2C)o1 ZINC000096379424 568741051 /nfs/dbraw/zinc/74/10/51/568741051.db2.gz NLKOVKPSXKQHEU-UHFFFAOYSA-N 0 1 406.464 3.062 50 0 HGAAMN Cc1ccc([C@@H](CNC(=O)c2ccc(Br)o2)N2CCN(C)CC2)cc1 ZINC000022582586 568770774 /nfs/dbraw/zinc/77/07/74/568770774.db2.gz SHRIMHQQFPRCFU-MRXNPFEDSA-N 0 1 406.324 3.069 50 0 HGAAMN CC(C)CN1CCO[C@H](CNC(=O)Cc2csc(-c3ccccc3Cl)n2)C1 ZINC000028015188 568777563 /nfs/dbraw/zinc/77/75/63/568777563.db2.gz AGMJGNUMKLYFTO-MRXNPFEDSA-N 0 1 407.967 3.479 50 0 HGAAMN CSc1cccc(N2C[C@@H](C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)CC2=O)c1 ZINC000029836459 568836824 /nfs/dbraw/zinc/83/68/24/568836824.db2.gz BKBHCWNJKVMAOS-JXFKEZNVSA-N 0 1 415.534 3.320 50 0 HGAAMN COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(C)cc4)CC3)n[nH]2)c(OC)c1 ZINC000057477199 568839462 /nfs/dbraw/zinc/83/94/62/568839462.db2.gz GUKZZABNNRHLML-UHFFFAOYSA-N 0 1 406.486 3.365 50 0 HGAAMN CCCS(=O)(=O)Nc1cccc(C(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000012526129 568843098 /nfs/dbraw/zinc/84/30/98/568843098.db2.gz SRHFRXPCCAFAKX-UHFFFAOYSA-N 0 1 415.559 3.186 50 0 HGAAMN CCOc1cc2c(cc1NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1)O[C@H](C)C2 ZINC000012560916 568858395 /nfs/dbraw/zinc/85/83/95/568858395.db2.gz IHKNYGQNQLOQDZ-GFCCVEGCSA-N 0 1 420.487 3.177 50 0 HGAAMN Cc1cccc(N2CCN(CCCCNS(=O)(=O)c3cccc(F)c3)CC2)c1 ZINC000030361116 568862040 /nfs/dbraw/zinc/86/20/40/568862040.db2.gz JRUSEWLOJJWZEK-UHFFFAOYSA-N 0 1 405.539 3.015 50 0 HGAAMN CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CCCN3[C@@]23c2ccccc2NC3=O)cc1 ZINC000057992085 568873103 /nfs/dbraw/zinc/87/31/03/568873103.db2.gz RKQZVYFIUMOCFC-PDOGEWKWSA-N 0 1 419.481 3.134 50 0 biogenic HGAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(OC(F)F)cc1 ZINC000003480312 568908332 /nfs/dbraw/zinc/90/83/32/568908332.db2.gz VPMQWHJESLXVBF-UHFFFAOYSA-N 0 1 420.397 3.131 50 0 HGAAMN CN(C)C(=O)Sc1ccccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000058306861 568910350 /nfs/dbraw/zinc/91/03/50/568910350.db2.gz IELSRIBGKKGILK-UHFFFAOYSA-N 0 1 404.469 3.368 50 0 HGAAMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000003504280 568910716 /nfs/dbraw/zinc/91/07/16/568910716.db2.gz JPLQYUUFHCUUDC-IRXDYDNUSA-N 0 1 401.532 3.289 50 0 HGAAMN O=C(CN1CC[C@@H](Oc2ccccn2)C1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000084613279 568953062 /nfs/dbraw/zinc/95/30/62/568953062.db2.gz PVSAGCUBUQESAH-CYBMUJFWSA-N 0 1 405.380 3.069 50 0 HGAAMN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)n[nH]2)cc1C ZINC000015680711 568967582 /nfs/dbraw/zinc/96/75/82/568967582.db2.gz AIZUNQNTOMYHRW-UHFFFAOYSA-N 0 1 406.461 3.431 50 0 HGAAMN COc1ccc(-c2n[nH]c(SCc3cc(=O)n4nc(C(C)C)sc4n3)n2)cc1 ZINC000015731828 568982011 /nfs/dbraw/zinc/98/20/11/568982011.db2.gz ZSCIPEQLFNKRLI-UHFFFAOYSA-N 0 1 414.516 3.360 50 0 HGAAMN C[C@H](NCc1cc(=O)n2cc(Br)ccc2n1)c1ccc2c(c1)OCCO2 ZINC000008403790 569001073 /nfs/dbraw/zinc/00/10/73/569001073.db2.gz KLDIRPHJZRUCIT-LBPRGKRZSA-N 0 1 416.275 3.079 50 0 HGAAMN C[C@H](c1ccccc1)N1CC[C@](F)(COC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000225397486 569039875 /nfs/dbraw/zinc/03/98/75/569039875.db2.gz XLTWXKWDRSVIMP-DHJUGAMNSA-N 0 1 402.510 3.353 50 0 HGAAMN Cc1cc(Br)c(O)c(C(=O)N2CCC(C(=O)Nc3nccs3)CC2)c1 ZINC000089568682 569070376 /nfs/dbraw/zinc/07/03/76/569070376.db2.gz IVOIKBJWEQTORY-UHFFFAOYSA-N 0 1 424.320 3.411 50 0 HGAAMN CCN1CCC[C@@H]1CNS(=O)(=O)c1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000064610856 569071281 /nfs/dbraw/zinc/07/12/81/569071281.db2.gz QKJMUWDVXJQOKL-GOSISDBHSA-N 0 1 412.515 3.166 50 0 HGAAMN COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCCC2)ccc1O ZINC000006641692 569078199 /nfs/dbraw/zinc/07/81/99/569078199.db2.gz WTNJGYFYMAQZAK-YSZBQJHXSA-N 0 1 402.535 3.081 50 0 HGAAMN CCCC(=O)OC[C@H](O)CN(Cc1ccccc1)Cc1cccc(OC)c1OC ZINC000036103665 569092365 /nfs/dbraw/zinc/09/23/65/569092365.db2.gz WEWIIELFVAKTGH-HXUWFJFHSA-N 0 1 401.503 3.410 50 0 HGAAMN COC[C@@H](O)CN(Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146719 569098821 /nfs/dbraw/zinc/09/88/21/569098821.db2.gz UUDXGXBJKSEZEV-FPOVZHCZSA-N 0 1 418.921 3.351 50 0 HGAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCOC)cc1OC ZINC000006752803 569111260 /nfs/dbraw/zinc/11/12/60/569111260.db2.gz DGZHMSSCMBVOAT-QFIPXVFZSA-N 0 1 423.469 3.381 50 0 HGAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2cccc(Br)c2)N1CCO ZINC000006753014 569111689 /nfs/dbraw/zinc/11/16/89/569111689.db2.gz MJPGYRLSNMXPIK-SFHVURJKSA-N 0 1 414.259 3.082 50 0 HGAAMN COc1ccc(-c2cc(C(=O)NCCc3nnc(-c4ccc(OC)cc4)[nH]3)no2)cc1 ZINC000064969296 569138251 /nfs/dbraw/zinc/13/82/51/569138251.db2.gz JDJOVCIZMVMDET-UHFFFAOYSA-N 0 1 419.441 3.116 50 0 HGAAMN CCC[C@@H](O)CN1CCN(c2nc(C)nc(CC)c2Cc2cccc(F)c2)CC1 ZINC000036340701 569141613 /nfs/dbraw/zinc/14/16/13/569141613.db2.gz IJEQGPWONWVTRL-HXUWFJFHSA-N 0 1 400.542 3.360 50 0 HGAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000036345218 569143220 /nfs/dbraw/zinc/14/32/20/569143220.db2.gz CFGHWCQFEWYZNG-HSZRJFAPSA-N 0 1 408.521 3.449 50 0 HGAAMN CCN1CCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2cccc(OC)c2)CC1 ZINC000036345625 569143355 /nfs/dbraw/zinc/14/33/55/569143355.db2.gz APGURJCWRICDFC-DEOSSOPVSA-N 0 1 420.557 3.319 50 0 HGAAMN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)c(OC)c1 ZINC000006866398 569159157 /nfs/dbraw/zinc/15/91/57/569159157.db2.gz STCVUJHYLANDBW-CYBMUJFWSA-N 0 1 416.499 3.192 50 0 HGAAMN CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CSc1nc(-c2ccccc2)n[nH]1 ZINC000006879634 569165209 /nfs/dbraw/zinc/16/52/09/569165209.db2.gz VSYMWCOAWRZRMQ-UHFFFAOYSA-N 0 1 415.906 3.314 50 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414.546 3.189 50 0 HGAAMN CC[C@H]1CCCCN1CC(=O)Nc1c2cc(OC)c(OC)cc2[nH]c1C(=O)OC ZINC000004837579 559166620 /nfs/dbraw/zinc/16/66/20/559166620.db2.gz PJHAJYOWYUVRSL-ZDUSSCGKSA-N 0 1 403.479 3.175 50 0 HGAAMN Cc1cc(O)c([C@@H](c2ccc(F)cc2)N2CCN(C)CC2)c(=O)n1Cc1ccccc1 ZINC000023477073 559176253 /nfs/dbraw/zinc/17/62/53/559176253.db2.gz RXMSEQUMDHUHMQ-XMMPIXPASA-N 0 1 421.516 3.387 50 0 HGAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CC(=O)NCc4ccc(C)cc4)c3=O)c2c1 ZINC000004951626 559215849 /nfs/dbraw/zinc/21/58/49/559215849.db2.gz VZIBXBWSSBVMHU-UHFFFAOYSA-N 0 1 408.483 3.174 50 0 HGAAMN CCc1ccc(-c2nc(CN3CCC[C@H](C(=O)NCC(OC)OC)C3)c(C)o2)cc1 ZINC000005055987 559237699 /nfs/dbraw/zinc/23/76/99/559237699.db2.gz PYOZYTFYSXGOHJ-IBGZPJMESA-N 0 1 415.534 3.160 50 0 HGAAMN COC(=O)C1C(CSc2nc3ccccc3[nH]2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000005072525 559241686 /nfs/dbraw/zinc/24/16/86/559241686.db2.gz KDGVLGXPKYFKCR-QGZVFWFLSA-N 0 1 412.446 3.275 50 0 HGAAMN CCOC(=O)c1ccccc1NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)[C@@H]2C 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USOIXHQTIQTPPJ-QGZVFWFLSA-N 0 1 405.472 3.347 50 0 biogenic HGAAMN CCN1CCC[C@@H](NC(=O)c2nc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)C1 ZINC000005509806 560600872 /nfs/dbraw/zinc/60/08/72/560600872.db2.gz FYZKAUFDLDIJRM-CQSZACIVSA-N 0 1 418.423 3.024 50 0 HGAAMN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102724581 560821659 /nfs/dbraw/zinc/82/16/59/560821659.db2.gz RSIDXQXEVZMSGK-YPAWHYETSA-N 0 1 416.433 3.452 50 0 HGAAMN CCCCn1c(O)c(C(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2ccccc21 ZINC000005737689 560861639 /nfs/dbraw/zinc/86/16/39/560861639.db2.gz HNSFHUZWXRIMJT-UHFFFAOYSA-N 0 1 410.470 3.454 50 0 HGAAMN CN1CCN(CCNC(=O)c2cc(C3CC3)nn2C(C)(C)C)[C@H](c2ccccc2)C1 ZINC000106086666 560884633 /nfs/dbraw/zinc/88/46/33/560884633.db2.gz TWMKFUHKFHXIIA-QFIPXVFZSA-N 0 1 409.578 3.234 50 0 HGAAMN COc1ccc(OCCC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000047539412 560891964 /nfs/dbraw/zinc/89/19/64/560891964.db2.gz RQYZXGHTRKOAIL-RTBURBONSA-N 0 1 412.530 3.390 50 0 HGAAMN CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000107514324 560896452 /nfs/dbraw/zinc/89/64/52/560896452.db2.gz KXPVXTLLUPVLAV-ZFWWWQNUSA-N 0 1 403.445 3.413 50 0 HGAAMN CN1c2ccc(S(=O)(=O)NCCN3CCCCCC3)cc2C(=C2CCCC2)C1=O ZINC000045895237 568421320 /nfs/dbraw/zinc/42/13/20/568421320.db2.gz BPIRFEBKGHOFCB-UHFFFAOYSA-N 0 1 417.575 3.145 50 0 HGAAMN CN(C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccsc1 ZINC000048249067 568433296 /nfs/dbraw/zinc/43/32/96/568433296.db2.gz QQTZSUVRGRUIJQ-XLIONFOSSA-N 0 1 417.550 3.087 50 0 HGAAMN CC(C)(C)c1n[nH]c(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)n1 ZINC000048302989 568437817 /nfs/dbraw/zinc/43/78/17/568437817.db2.gz DBPFUTXWRPWLGG-UHFFFAOYSA-N 0 1 401.536 3.072 50 0 HGAAMN COc1cccc(CC(=O)NC2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)c1 ZINC000049406530 568448899 /nfs/dbraw/zinc/44/88/99/568448899.db2.gz SUUIKDHCNYCGTF-UHFFFAOYSA-N 0 1 424.526 3.110 50 0 HGAAMN CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(Cl)ccc1F)C(=O)OC ZINC000020723671 568457860 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CCc1nc(-n2ccc3c(cnc4c(-c5ccc(Cl)cc5)c(C)nn43)c2=O)n[nH]1 ZINC000019821293 558290589 /nfs/dbraw/zinc/29/05/89/558290589.db2.gz WEMFXWPFFPRLPU-UHFFFAOYSA-N 0 1 405.849 3.343 50 0 HGAAMN COc1ccccc1OCC(=O)NC[C@@H]1CCCN(Cc2cccc(C(C)=O)c2)C1 ZINC000012001537 558308422 /nfs/dbraw/zinc/30/84/22/558308422.db2.gz UDELWFJCDJEDQO-FQEVSTJZSA-N 0 1 410.514 3.305 50 0 HGAAMN CCN1CCN(CC(=O)NC2=Nc3ccccc3N=C(C)[C@H]2c2ccccc2)CC1 ZINC000019938259 558312917 /nfs/dbraw/zinc/31/29/17/558312917.db2.gz WVOMBQKFGLFIJF-QHCPKHFHSA-N 0 1 403.530 3.360 50 0 HGAAMN CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(c3ccc(C)c(Cl)c3)CC2)cc1 ZINC000020029111 558323405 /nfs/dbraw/zinc/32/34/05/558323405.db2.gz LRCCOUAEYZWLSU-HXUWFJFHSA-N 0 1 417.937 3.169 50 0 HGAAMN COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2 ZINC000020086291 558331119 /nfs/dbraw/zinc/33/11/19/558331119.db2.gz CGYIMMFMENAHSL-IBGZPJMESA-N 0 1 413.426 3.098 50 0 HGAAMN CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1cccs1)CC2 ZINC000012190944 558347578 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COc1ccc(CC(=O)NC[C@H]2CCCN(Cc3nc4ccc(F)cc4[nH]3)C2)cc1 ZINC000015078880 558717881 /nfs/dbraw/zinc/71/78/81/558717881.db2.gz BDRKZNPSEIMHNM-QGZVFWFLSA-N 0 1 410.493 3.282 50 0 HGAAMN CCOC(=O)C1=C(CN2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000015319070 558732347 /nfs/dbraw/zinc/73/23/47/558732347.db2.gz GNKWWMYSQVHRQX-PJIJBLCYSA-N 0 1 405.926 3.489 50 0 HGAAMN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)N[C@@]21c2ccccc2NC1=O ZINC000016010170 558766450 /nfs/dbraw/zinc/76/64/50/558766450.db2.gz RXHGYBFSZYMAQJ-KGYLXKDPSA-N 0 1 423.900 3.229 50 0 HGAAMN C[C@H](CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000035421893 558791505 /nfs/dbraw/zinc/79/15/05/558791505.db2.gz WNLUVGVBRZHHQY-GOSISDBHSA-N 0 1 413.949 3.408 50 0 HGAAMN CCn1nc(C)c(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c1C ZINC000038149493 558810985 /nfs/dbraw/zinc/81/09/85/558810985.db2.gz JRIMTWFYGWITJW-JOCHJYFZSA-N 0 1 414.594 3.214 50 0 HGAAMN CCCn1ncc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c1C ZINC000039537541 558822209 /nfs/dbraw/zinc/82/22/09/558822209.db2.gz IILSZUWZPKMJGG-HSZRJFAPSA-N 0 1 414.594 3.296 50 0 HGAAMN COc1ccc(-c2n[nH]c(S[C@@H](CC(=O)NCCO)c3ccc(C)cc3)n2)cc1 ZINC000018182353 558832889 /nfs/dbraw/zinc/83/28/89/558832889.db2.gz LPQVTBGBGUFSNR-SFHVURJKSA-N 0 1 412.515 3.121 50 0 HGAAMN Cc1ccc(OCCN2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000055390913 558880812 /nfs/dbraw/zinc/88/08/12/558880812.db2.gz NRKXRMYXSWFDPJ-UHFFFAOYSA-N 0 1 414.513 3.325 50 0 HGAAMN Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cn4c(cccc4C)n3)C2)CC1 ZINC000055568822 558882833 /nfs/dbraw/zinc/88/28/33/558882833.db2.gz AFXPSVBKEDKEMP-OAQYLSRUSA-N 0 1 417.557 3.378 50 0 HGAAMN CCc1cccc(NS(=O)(=O)c2cc(-c3n[nH]cc3C(=O)N(C)C)oc2C)c1 ZINC000097940936 558945825 /nfs/dbraw/zinc/94/58/25/558945825.db2.gz PXNVSBXHTSNXHB-UHFFFAOYSA-N 0 1 402.476 3.043 50 0 HGAAMN COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(C)nc(N3CCCC3)n2)CC1 ZINC000064799751 558965487 /nfs/dbraw/zinc/96/54/87/558965487.db2.gz LIAZXQLYIVSZCU-UHFFFAOYSA-N 0 1 415.925 3.010 50 0 HGAAMN COc1ccccc1NC(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1 ZINC000065362239 558972956 /nfs/dbraw/zinc/97/29/56/558972956.db2.gz KIYQMWDVGQPATL-UHFFFAOYSA-N 0 1 410.522 3.138 50 0 HGAAMN CN(C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1cccc(F)c1 ZINC000023081682 559000168 /nfs/dbraw/zinc/00/01/68/559000168.db2.gz MYXRTOYOYHHIIR-AEFFLSMTSA-N 0 1 403.523 3.159 50 0 HGAAMN Cc1ccc(OCCOC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000023109559 559011926 /nfs/dbraw/zinc/01/19/26/559011926.db2.gz USQFSUIXGWRQIR-JOCHJYFZSA-N 0 1 402.510 3.021 50 0 HGAAMN O=C(c1ccon1)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000095522445 559085448 /nfs/dbraw/zinc/08/54/48/559085448.db2.gz JHQGXABYAWEYFG-LJQANCHMSA-N 0 1 401.482 3.347 50 0 HGAAMN Cc1nn(C)c(Cl)c1CN1CCC[C@H](N2CCN(c3ccccc3C)CC2)C1 ZINC000096835768 559112401 /nfs/dbraw/zinc/11/24/01/559112401.db2.gz ZKMSEOFNJJXNBW-IBGZPJMESA-N 0 1 401.986 3.477 50 0 HGAAMN O=C(CN1CC[C@H]2CCCC[C@H]2C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000247801589 559119187 /nfs/dbraw/zinc/11/91/87/559119187.db2.gz VZRZWBFGPKVRJF-MOPGFXCFSA-N 0 1 419.591 3.312 50 0 HGAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3cc(C)cc(C)c3NC2=O)cc1 ZINC000033703890 559230703 /nfs/dbraw/zinc/23/07/03/559230703.db2.gz YPCMCWLQNKCUTE-PBQROFAYSA-N 0 1 415.493 3.043 50 0 biogenic HGAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32c3cc(C)cc(C)c3NC2=O)cc1 ZINC000033703890 559230704 /nfs/dbraw/zinc/23/07/04/559230704.db2.gz YPCMCWLQNKCUTE-PBQROFAYSA-N 0 1 415.493 3.043 50 0 biogenic HGAAMN CCc1ccc(-c2nc(CN3CCC(C(=O)NCC(OC)OC)CC3)c(C)o2)cc1 ZINC000005043554 559236379 /nfs/dbraw/zinc/23/63/79/559236379.db2.gz MVESSOCIKLFDLK-UHFFFAOYSA-N 0 1 415.534 3.160 50 0 HGAAMN COC(CNC(=O)C1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)CC1)OC ZINC000005043737 559236381 /nfs/dbraw/zinc/23/63/81/559236381.db2.gz AAWCSNDWSBRNDJ-UHFFFAOYSA-N 0 1 421.925 3.251 50 0 HGAAMN COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc4c(c3)OCCO4)C[C@H]21 ZINC000005093701 559244449 /nfs/dbraw/zinc/24/44/49/559244449.db2.gz NXHGHQPICZLDGO-LJQANCHMSA-N 0 1 421.497 3.432 50 0 HGAAMN CCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2Cl)c1 ZINC000005126921 559248781 /nfs/dbraw/zinc/24/87/81/559248781.db2.gz PYMLGGPHJNFXHW-UHFFFAOYSA-N 0 1 416.952 3.480 50 0 HGAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCCO)cc1OC ZINC000011916388 559267288 /nfs/dbraw/zinc/26/72/88/559267288.db2.gz PIEYFPBNYPHQAW-QFIPXVFZSA-N 0 1 423.469 3.036 50 0 HGAAMN COc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2OC)cc1N1CCCC1=O ZINC000005329685 560565522 /nfs/dbraw/zinc/56/55/22/560565522.db2.gz XLQMXPWGZRDTIB-UHFFFAOYSA-N 0 1 404.488 3.248 50 0 HGAAMN COc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)c(OC)c1 ZINC000005330147 560565695 /nfs/dbraw/zinc/56/56/95/560565695.db2.gz IKDQXIQKAKQTII-UHFFFAOYSA-N 0 1 404.488 3.330 50 0 HGAAMN COc1ccc([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCCC2)cc1 ZINC000017911523 560730461 /nfs/dbraw/zinc/73/04/61/560730461.db2.gz KQLPXAYMEXBHPU-IBGZPJMESA-N 0 1 414.502 3.288 50 0 biogenic HGAAMN CCOC(=O)c1ccccc1NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)[C@H]2C ZINC000101079146 560771434 /nfs/dbraw/zinc/77/14/34/560771434.db2.gz UFSRALLCAUGIDN-ZDUSSCGKSA-N 0 1 414.483 3.060 50 0 HGAAMN COc1cccc(C2=NO[C@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)c1OC ZINC000018183467 560781911 /nfs/dbraw/zinc/78/19/11/560781911.db2.gz JBSCRCHHRYVXCR-RHSMWYFYSA-N 0 1 421.236 3.303 50 0 HGAAMN Cc1ccc(N2C(=O)c3ccccc3/C(=C/NCCCN3CCOCC3)C2=O)cc1C ZINC000101189204 560789009 /nfs/dbraw/zinc/78/90/09/560789009.db2.gz UTMCCGOUCKJNQE-QJOMJCCJSA-N 0 1 419.525 3.143 50 0 HGAAMN O=C(NCCN1CC=CC1)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000101436339 560794969 /nfs/dbraw/zinc/79/49/69/560794969.db2.gz WFXRJCYXGYBRIM-UHFFFAOYSA-N 0 1 414.303 3.303 50 0 HGAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CC(=O)NCCc4ccc(C)cc4)c3=O)c2c1 ZINC000101497664 560796447 /nfs/dbraw/zinc/79/64/47/560796447.db2.gz XXQSSHCGPDVILJ-UHFFFAOYSA-N 0 1 422.510 3.216 50 0 HGAAMN O=C1[C@@H]2ON=C(c3ccc(Cl)cc3Cl)C2=C(O)N1c1ccc2c(c1)OCCO2 ZINC000102559457 560818033 /nfs/dbraw/zinc/81/80/33/560818033.db2.gz VMNOQPPQVXIYII-DOTOQJQBSA-N 0 1 419.220 3.057 50 0 HGAAMN COc1ccc(OC)c(C2=NOC3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]23)c1 ZINC000102896564 560834823 /nfs/dbraw/zinc/83/48/23/560834823.db2.gz WGXAYLOIOLKDDP-TZIWHRDSSA-N 0 1 402.406 3.150 50 0 HGAAMN CC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@]23c2ccccc2N(C)C3=O)cc1 ZINC000103733248 560844091 /nfs/dbraw/zinc/84/40/91/560844091.db2.gz DRDWZWPEMFPULX-LJFZDNNRSA-N 0 1 403.482 3.184 50 0 HGAAMN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)cc1F ZINC000085690587 560853249 /nfs/dbraw/zinc/85/32/49/560853249.db2.gz MQTFUHORRNXAAB-MRXNPFEDSA-N 0 1 407.449 3.410 50 0 HGAAMN Cc1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c(-c2nnc(C3CC3)[nH]2)c1 ZINC000047421130 560886869 /nfs/dbraw/zinc/88/68/69/560886869.db2.gz FPPWJSITDWDCFJ-UHFFFAOYSA-N 0 1 410.499 3.454 50 0 HGAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2CCCN21 ZINC000106536316 560892259 /nfs/dbraw/zinc/89/22/59/560892259.db2.gz GDODBXYULPSREU-GKAYAJSDSA-N 0 1 421.884 3.080 50 0 HGAAMN O=C(CCc1ccccc1Br)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000108141122 560897990 /nfs/dbraw/zinc/89/79/90/560897990.db2.gz NFWBWQJZRLZGPZ-OALUTQOASA-N 0 1 417.347 3.133 50 0 HGAAMN CCCN(Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000045974122 568422795 /nfs/dbraw/zinc/42/27/95/568422795.db2.gz FZVIPOUMIOORTN-UHFFFAOYSA-N 0 1 411.502 3.441 50 0 HGAAMN O=C(NCC1CC1)[C@H]1CCCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000048303171 568437958 /nfs/dbraw/zinc/43/79/58/568437958.db2.gz HEGBMSRZWOAUGS-SFHVURJKSA-N 0 1 422.554 3.161 50 0 HGAAMN COc1ccc(C(=O)NC2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)cc1 ZINC000049406548 568448919 /nfs/dbraw/zinc/44/89/19/568448919.db2.gz XSXIQRKAOYUNSS-UHFFFAOYSA-N 0 1 410.499 3.181 50 0 HGAAMN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1ccc2nc[nH]c2c1 ZINC000604419712 568493234 /nfs/dbraw/zinc/49/32/34/568493234.db2.gz SXJXZBAQXZCEMH-JOCHJYFZSA-N 0 1 423.432 3.316 50 0 HGAAMN Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H](C(C)C)[NH+](C)C)cc2)cc1C ZINC000022754927 568500163 /nfs/dbraw/zinc/50/01/63/568500163.db2.gz GRVXWOYYZKLAEV-NRFANRHFSA-N 0 1 417.575 3.420 50 0 HGAAMN COc1ccc(NS(=O)(=O)c2cc(-c3cnc(C)o3)ccc2OC)cc1OC ZINC000021033039 568659562 /nfs/dbraw/zinc/65/95/62/568659562.db2.gz FMSTXDSYZKSGLG-UHFFFAOYSA-N 0 1 404.444 3.477 50 0 HGAAMN O=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccccc3)[nH]n1)CC2)C1CCC1 ZINC000096024326 568685927 /nfs/dbraw/zinc/68/59/27/568685927.db2.gz AEISRVCRJGWEMZ-UHFFFAOYSA-N 0 1 407.499 3.470 50 0 HGAAMN COC(=O)C[C@H](c1c(O)nc2ccc(Cl)cn2c1=O)C1=Cc2ccccc2OC1 ZINC000096115088 568694630 /nfs/dbraw/zinc/69/46/30/568694630.db2.gz QEMJJXOSXGNHAS-HNNXBMFYSA-N 0 1 412.829 3.176 50 0 biogenic HGAAMN O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000229686574 568714928 /nfs/dbraw/zinc/71/49/28/568714928.db2.gz GVHGNIFAAQTNGQ-RTBURBONSA-N 0 1 414.500 3.365 50 0 HGAAMN CCCn1cc(CNc2ccc(CN3CCN(C)CC3)c(Br)c2)cn1 ZINC000241657632 568731520 /nfs/dbraw/zinc/73/15/20/568731520.db2.gz PXXCNHIZAWNVPZ-UHFFFAOYSA-N 0 1 406.372 3.415 50 0 HGAAMN O=C(NCCCc1ccccc1)C1CCN(C(=O)c2cc(-c3cccnc3)[nH]n2)CC1 ZINC000096324670 568734160 /nfs/dbraw/zinc/73/41/60/568734160.db2.gz IIHNQPIODAKEEY-UHFFFAOYSA-N 0 1 417.513 3.073 50 0 HGAAMN COc1cccc(NC(=O)C[C@H]2SC(c3cc4ccccc4oc3=O)=NC2=O)c1 ZINC000018992288 568745135 /nfs/dbraw/zinc/74/51/35/568745135.db2.gz AURAAWFFEYHAHJ-QGZVFWFLSA-N 0 1 408.435 3.219 50 0 HGAAMN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015043762 568748393 /nfs/dbraw/zinc/74/83/93/568748393.db2.gz YHUZNBCTZHINTR-JKSUJKDBSA-N 0 1 413.493 3.448 50 0 HGAAMN COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C)N[C@]23C(=O)Nc2c3cccc2Cl)c1 ZINC000057142631 568824500 /nfs/dbraw/zinc/82/45/00/568824500.db2.gz BVDAVDXUTFQNSA-QUSSIACISA-N 0 1 415.877 3.141 50 0 HGAAMN O=C1C=C(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CN1c1ccccc1 ZINC000227163266 568828545 /nfs/dbraw/zinc/82/85/45/568828545.db2.gz CVSOIXKRFORXHQ-UHFFFAOYSA-N 0 1 412.496 3.287 50 0 HGAAMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000057413226 568833304 /nfs/dbraw/zinc/83/33/04/568833304.db2.gz LZDOUYPQPGVTGB-UHFFFAOYSA-N 0 1 424.888 3.417 50 0 HGAAMN COC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000057414213 568833369 /nfs/dbraw/zinc/83/33/69/568833369.db2.gz WHYIASOAHLZIEP-JOCHJYFZSA-N 0 1 403.482 3.257 50 0 HGAAMN COc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4C)CC3)n[nH]2)c(OC)c1 ZINC000057477198 568839553 /nfs/dbraw/zinc/83/95/53/568839553.db2.gz NBSZDKZPISDXAE-UHFFFAOYSA-N 0 1 406.486 3.365 50 0 HGAAMN COc1cc(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)cc(OC)c1OC ZINC000003043801 568848420 /nfs/dbraw/zinc/84/84/20/568848420.db2.gz VNSFDHJGNCVNCC-UHFFFAOYSA-N 0 1 415.471 3.114 50 0 HGAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(F)cc3)C[C@H]1[C@@H](C(=O)NC(C)C)C2 ZINC000230138090 568851161 /nfs/dbraw/zinc/85/11/61/568851161.db2.gz MGAJNFHGUSLJQZ-GMAHTHKFSA-N 0 1 411.521 3.222 50 0 HGAAMN Cc1ccc(S(=O)(=O)N[C@H](CN2C[C@H](CO)CC[C@H]2C)c2ccccc2)cc1 ZINC000230199789 568854560 /nfs/dbraw/zinc/85/45/60/568854560.db2.gz DTNOJFNBTQNVPA-WOIUINJBSA-N 0 1 402.560 3.107 50 0 HGAAMN O=c1c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c([O-])[nH]c(=S)n1CCc1ccccc1 ZINC000001322940 568914667 /nfs/dbraw/zinc/91/46/67/568914667.db2.gz GUDYFMZGYBKFRU-HXUWFJFHSA-N 0 1 418.522 3.197 50 0 biogenic HGAAMN Cc1ccc(-c2nc(C)c(C(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)s2)o1 ZINC000031211417 568919409 /nfs/dbraw/zinc/91/94/09/568919409.db2.gz TTZYJYSOXGFVCS-UHFFFAOYSA-N 0 1 402.476 3.165 50 0 HGAAMN COc1c2c(cc3c1[C@@H](C[C@H](O)CCc1ccc4c(c1)OCO4)N(C)CC3)OCO2 ZINC000004042835 568935915 /nfs/dbraw/zinc/93/59/15/568935915.db2.gz SDGLWTATVZQCPU-IAGOWNOFSA-N 0 1 413.470 3.065 50 0 biogenic HGAAMN O=C(CN1CC[C@H](Oc2ccccn2)C1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000084613280 568953040 /nfs/dbraw/zinc/95/30/40/568953040.db2.gz PVSAGCUBUQESAH-ZDUSSCGKSA-N 0 1 405.380 3.069 50 0 HGAAMN C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1N(C)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000084705646 568956292 /nfs/dbraw/zinc/95/62/92/568956292.db2.gz JFZHDBFDNUFDAW-QZTJIDSGSA-N 0 1 414.571 3.319 50 0 HGAAMN CCOc1ccc2nc(SCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)[nH]c2c1 ZINC000008136039 568976976 /nfs/dbraw/zinc/97/69/76/568976976.db2.gz HTNKLXOMXKMORO-UHFFFAOYSA-N 0 1 412.515 3.459 50 0 HGAAMN COc1ccc([C@@H](CNC(=O)c2ccc(CN3CCCC3=O)cc2)N2CCCC2)cc1 ZINC000008404682 569001186 /nfs/dbraw/zinc/00/11/86/569001186.db2.gz OFKVTVGIMBMYDZ-HSZRJFAPSA-N 0 1 421.541 3.385 50 0 HGAAMN Cc1ccc(Cc2nc(CCNC(=O)c3cc(-c4ccc(F)cc4)on3)n[nH]2)cc1 ZINC000085695027 569006877 /nfs/dbraw/zinc/00/68/77/569006877.db2.gz ICCHIJRZTSLOQP-UHFFFAOYSA-N 0 1 405.433 3.471 50 0 HGAAMN COc1cc(CN2CCN(Cc3c[nH]c4ccccc34)C[C@H]2CCO)cc(OC)c1 ZINC000104327473 569008394 /nfs/dbraw/zinc/00/83/94/569008394.db2.gz SGULMEIZOAKGCK-HXUWFJFHSA-N 0 1 409.530 3.254 50 0 HGAAMN CC(C)[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC1 ZINC000035268867 569015738 /nfs/dbraw/zinc/01/57/38/569015738.db2.gz VTOQKBDOAOZJRI-UHFFFAOYSA-N 0 1 419.522 3.229 50 0 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CCCC(=O)Nc1ccc(-n2cnc(C(=O)N3CCN(C4CCCCC4)CC3)c2)nc1 ZINC000065197010 569194982 /nfs/dbraw/zinc/19/49/82/569194982.db2.gz JJYYUQBBCIFUCQ-UHFFFAOYSA-N 0 1 424.549 3.096 50 0 HGAAMN CCCCN1CCN(C(=O)c2cc3c(n2C)CCN(Cc2cccc(F)c2)C3)CC1 ZINC000065211120 569196323 /nfs/dbraw/zinc/19/63/23/569196323.db2.gz NLWVYVMOWGEGPP-UHFFFAOYSA-N 0 1 412.553 3.280 50 0 HGAAMN CC(C)CN1CCN(C(=O)c2cc(C(C)C)n3nc(-c4ccccn4)cc3n2)CC1 ZINC000065246160 569205561 /nfs/dbraw/zinc/20/55/61/569205561.db2.gz CCTXLNHIFYDMTE-UHFFFAOYSA-N 0 1 406.534 3.329 50 0 HGAAMN CC(=O)Nc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2O)cc1 ZINC000007424109 569237969 /nfs/dbraw/zinc/23/79/69/569237969.db2.gz WZYQIXXHKFRACR-UHFFFAOYSA-N 0 1 401.426 3.233 50 0 HGAAMN COc1cccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000170593836 569241341 /nfs/dbraw/zinc/24/13/41/569241341.db2.gz BKLOZQFEVMFPAZ-IAGOWNOFSA-N 0 1 424.545 3.075 50 0 HGAAMN Cc1nn(C)c(C)c1CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000170619590 569248305 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Cc1ccccc1-c1n[nH]c(SCC(=O)N2CCN(c3ccccc3F)CC2)n1 ZINC000007342023 132323847 /nfs/dbraw/zinc/32/38/47/132323847.db2.gz CFRJOEPWDXDFAE-UHFFFAOYSA-N 0 1 411.506 3.360 50 0 HGAAMN O=C(C1CCN(c2ncnc3[nH]cnc32)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000009059758 132335194 /nfs/dbraw/zinc/33/51/94/132335194.db2.gz JLOVYQOCRAZRDB-UHFFFAOYSA-N 0 1 404.518 3.051 50 0 HGAAMN O=C(Nc1cccc(N2CCC(NCc3cnn(-c4ccccc4)n3)CC2)c1)C1CC1 ZINC000012243115 132357744 /nfs/dbraw/zinc/35/77/44/132357744.db2.gz GOWYIKURJCQQFE-UHFFFAOYSA-N 0 1 416.529 3.374 50 0 HGAAMN CC(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000032100992 519734866 /nfs/dbraw/zinc/73/48/66/519734866.db2.gz JMOGKWYWHLJJKL-HXUWFJFHSA-N 0 1 412.515 3.131 50 0 HGAAMN CN(C)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(F)cc1 ZINC000032622655 522022811 /nfs/dbraw/zinc/02/28/11/522022811.db2.gz IOXVBDGPCMJIKY-SFHVURJKSA-N 0 1 411.433 3.285 50 0 HGAAMN CN(C(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1)[C@@H]1CCN(C)C1 ZINC000040355534 523962694 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/nfs/dbraw/zinc/85/28/36/560852836.db2.gz VACYYMBZISOBHO-UHFFFAOYSA-N 0 1 413.407 3.014 50 0 HGAAMN O=C(NCCCc1ccccc1)[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)[nH]n2)C1 ZINC000085690487 560853126 /nfs/dbraw/zinc/85/31/26/560853126.db2.gz UNWWWCKZESSVSC-FQEVSTJZSA-N 0 1 417.513 3.073 50 0 HGAAMN COc1ccc(C)cc1NC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)[nH]n2)C1 ZINC000085690610 560853151 /nfs/dbraw/zinc/85/31/51/560853151.db2.gz OJTSFHLYTFAHGI-KRWDZBQOSA-N 0 1 419.485 3.280 50 0 HGAAMN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)[nH]n2)C1 ZINC000085690609 560853162 /nfs/dbraw/zinc/85/31/62/560853162.db2.gz OJTSFHLYTFAHGI-QGZVFWFLSA-N 0 1 419.485 3.280 50 0 HGAAMN C[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)[nH]n2)C1)c1ccccc1 ZINC000085690573 560853206 /nfs/dbraw/zinc/85/32/06/560853206.db2.gz IFBVQFBRDNBQPE-YLJYHZDGSA-N 0 1 417.513 3.244 50 0 HGAAMN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)cc1F ZINC000085690589 560853234 /nfs/dbraw/zinc/85/32/34/560853234.db2.gz 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HGAAMN O=C(NC1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1)c1cccc(F)c1 ZINC000049406617 568449033 /nfs/dbraw/zinc/44/90/33/568449033.db2.gz LEJDPZTZBIRAIK-UHFFFAOYSA-N 0 1 410.424 3.390 50 0 HGAAMN CN(C)c1cccc(C(=O)NC2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)c1 ZINC000049406551 568449053 /nfs/dbraw/zinc/44/90/53/568449053.db2.gz OHTJVMOVUWBBNK-UHFFFAOYSA-N 0 1 423.542 3.239 50 0 HGAAMN CN(C)[C@@H](CNC(=O)c1ccc(I)cc1)c1cccs1 ZINC000025608082 568530547 /nfs/dbraw/zinc/53/05/47/568530547.db2.gz JFKRFUSPIWQCEV-ZDUSSCGKSA-N 0 1 400.285 3.385 50 0 HGAAMN CCOC(=O)C1C(CN2CCCCC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214512 568594690 /nfs/dbraw/zinc/59/46/90/568594690.db2.gz WICKJHMWHQFEFQ-HXUWFJFHSA-N 0 1 401.507 3.131 50 0 HGAAMN CNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000095465218 568623196 /nfs/dbraw/zinc/62/31/96/568623196.db2.gz WQFDCCZROYTVOO-VNQPRFMTSA-N 0 1 402.926 3.475 50 0 HGAAMN COc1ccc(CCc2n[nH]c(NC(=O)c3cc(-c4ccc(OC)cc4)[nH]n3)n2)cc1 ZINC000095473528 568628823 /nfs/dbraw/zinc/62/88/23/568628823.db2.gz ZHDUHYXIFTYWKE-UHFFFAOYSA-N 0 1 418.457 3.250 50 0 HGAAMN COc1ccc(CCc2nc(NC(=O)c3cc(-c4ccc(OC)cc4)[nH]n3)n[nH]2)cc1 ZINC000095473528 568628826 /nfs/dbraw/zinc/62/88/26/568628826.db2.gz ZHDUHYXIFTYWKE-UHFFFAOYSA-N 0 1 418.457 3.250 50 0 HGAAMN COc1cc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)ccc1-n1nc(C)cc1C ZINC000095480875 568633334 /nfs/dbraw/zinc/63/33/34/568633334.db2.gz NNANBEUUUSUVIT-UHFFFAOYSA-N 0 1 419.489 3.490 50 0 HGAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000020611323 568637227 /nfs/dbraw/zinc/63/72/27/568637227.db2.gz NXZSRMPTWNKCNO-PBQROFAYSA-N 0 1 415.493 3.043 50 0 biogenic HGAAMN CCCN1CCN(C(=O)c2ccc(C)c(NC(=O)C3=C(C)OCCS3)c2)CC1 ZINC000020919260 568650865 /nfs/dbraw/zinc/65/08/65/568650865.db2.gz WZPGPNBMJSJKMA-UHFFFAOYSA-N 0 1 403.548 3.096 50 0 HGAAMN COc1cccc(-c2noc(NCCCN3CCN(Cc4ccccc4)CC3)n2)c1 ZINC000020996853 568657104 /nfs/dbraw/zinc/65/71/04/568657104.db2.gz QDVTVGURLHGKIN-UHFFFAOYSA-N 0 1 407.518 3.365 50 0 HGAAMN COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 ZINC000021033259 568659412 /nfs/dbraw/zinc/65/94/12/568659412.db2.gz FOBUPFRQUBYTSM-UHFFFAOYSA-N 0 1 402.428 3.231 50 0 HGAAMN CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000095948482 568665384 /nfs/dbraw/zinc/66/53/84/568665384.db2.gz XFACRHJODISHJW-IBGZPJMESA-N 0 1 416.909 3.003 50 0 HGAAMN CCCCSc1ccccc1N1CCN(CCCCN2C(=O)CNC2=O)CC1 ZINC000096027652 568686650 /nfs/dbraw/zinc/68/66/50/568686650.db2.gz VFNHSTKBMRIRLD-UHFFFAOYSA-N 0 1 404.580 3.033 50 0 HGAAMN O=S(=O)(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1c(F)cccc1F ZINC000096121468 568699858 /nfs/dbraw/zinc/69/98/58/568699858.db2.gz NWVLEXFETVCWLL-UHFFFAOYSA-N 0 1 418.469 3.081 50 0 HGAAMN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC000021582664 568719865 /nfs/dbraw/zinc/71/98/65/568719865.db2.gz MGJMOSOSEXRDQM-DLBZAZTESA-N 0 1 404.580 3.496 50 0 HGAAMN C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000096324612 568734013 /nfs/dbraw/zinc/73/40/13/568734013.db2.gz FHGYEOPKBVHTRK-MRXNPFEDSA-N 0 1 415.497 3.302 50 0 HGAAMN CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000000908265 568749768 /nfs/dbraw/zinc/74/97/68/568749768.db2.gz QNWWYQSOOHWUMD-UHFFFAOYSA-N 0 1 412.471 3.317 50 0 HGAAMN Cc1nc2sc3ccccc3n2c(=O)c1S(=O)(=O)NCCC1=CCCCC1 ZINC000021883963 568758295 /nfs/dbraw/zinc/75/82/95/568758295.db2.gz DEPFQFXAHOVIEZ-UHFFFAOYSA-N 0 1 403.529 3.386 50 0 HGAAMN Cc1nn(C(F)F)c(C)c1C(=O)Nn1c(C)nc2sc3c(c2c1=O)CCCC3 ZINC000002785498 568808748 /nfs/dbraw/zinc/80/87/48/568808748.db2.gz FMTVXDZYTFHNLS-UHFFFAOYSA-N 0 1 407.446 3.238 50 0 HGAAMN COc1cc2[nH]c3c(ncnc3N3CCN(Cc4ccccc4)CC3)c2cc1OC ZINC000057063779 568823890 /nfs/dbraw/zinc/82/38/90/568823890.db2.gz MJRUJTNWRJGKKO-UHFFFAOYSA-N 0 1 403.486 3.451 50 0 HGAAMN COC(=O)C1C(CN2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057414189 568833355 /nfs/dbraw/zinc/83/33/55/568833355.db2.gz USYQTEPNQGYTFN-HSZRJFAPSA-N 0 1 419.525 3.422 50 0 HGAAMN COc1cccc(N2CCN(C(=O)c3cc(-c4ccc(OC)cc4OC)[nH]n3)CC2)c1 ZINC000057477156 568839558 /nfs/dbraw/zinc/83/95/58/568839558.db2.gz BLWPJEAQMQUOPT-UHFFFAOYSA-N 0 1 422.485 3.065 50 0 HGAAMN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)NC[C@H](c1ccco1)N1CCCCC1)(C3)C2 ZINC000012569505 568861402 /nfs/dbraw/zinc/86/14/02/568861402.db2.gz QAIBBEWIPLJJGD-MMOCYWLFSA-N 0 1 413.562 3.398 50 0 HGAAMN COc1ccc(C(=O)NCCCOC(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000012604593 568870822 /nfs/dbraw/zinc/87/08/22/568870822.db2.gz QYGSRPWQRZFSKV-UHFFFAOYSA-N 0 1 420.531 3.349 50 0 HGAAMN COc1ccc(-c2nc(CN3CCC(C(=O)NC(C)C)CC3)c(C)o2)cc1OC ZINC000004035738 568879487 /nfs/dbraw/zinc/87/94/87/568879487.db2.gz NLNWDEJBFHBFKK-UHFFFAOYSA-N 0 1 401.507 3.404 50 0 HGAAMN C[C@@H](CC(=O)NCCc1ccc(Cl)cc1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000004148396 568916745 /nfs/dbraw/zinc/91/67/45/568916745.db2.gz MQPQOMUYDCTQOD-CQSZACIVSA-N 0 1 419.934 3.437 50 0 HGAAMN COc1cccc([C@@H](CNC(=O)c2ccc3nnc(C(F)F)n3c2)N2CCCC2)c1 ZINC000083970545 568929207 /nfs/dbraw/zinc/92/92/07/568929207.db2.gz ARJMOUFHYFQGBC-QGZVFWFLSA-N 0 1 415.444 3.242 50 0 HGAAMN CCc1ccc(-c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n[nH]2)cc1 ZINC000015679302 568966254 /nfs/dbraw/zinc/96/62/54/568966254.db2.gz VFSJERPMNFSKTM-UHFFFAOYSA-N 0 1 418.497 3.326 50 0 HGAAMN CC(C)c1nn2c(nc(CSc3nc(-c4ccccc4F)n[nH]3)cc2=O)s1 ZINC000015731829 568981998 /nfs/dbraw/zinc/98/19/98/568981998.db2.gz XHQBDNFUBAPCQN-UHFFFAOYSA-N 0 1 402.480 3.491 50 0 HGAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccccn2)ccc1C ZINC000008289974 568987763 /nfs/dbraw/zinc/98/77/63/568987763.db2.gz ICAUQXVDYVYQBI-UHFFFAOYSA-N 0 1 411.483 3.129 50 0 HGAAMN COc1ccc(OC)c(COC[C@@H](O)CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000012420247 568991092 /nfs/dbraw/zinc/99/10/92/568991092.db2.gz SBAGXSSBMUYPJH-FQEVSTJZSA-N 0 1 420.937 3.057 50 0 HGAAMN COc1ccc([C@H](CNC(=O)c2cccc(N3CCCC3=O)c2)N2CCCC2)cc1 ZINC000008327858 568992364 /nfs/dbraw/zinc/99/23/64/568992364.db2.gz GFOXYDJVTYHOEZ-QFIPXVFZSA-N 0 1 407.514 3.389 50 0 HGAAMN CCCN1CCN(c2ncc3c(n2)CCN(Cc2ccc(OC(C)C)cc2)C3)CC1 ZINC000015779587 569001924 /nfs/dbraw/zinc/00/19/24/569001924.db2.gz DZRLHMQTLNASAE-UHFFFAOYSA-N 0 1 409.578 3.354 50 0 HGAAMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)C1=Cc2ccccc2OC1 ZINC000015786339 569007579 /nfs/dbraw/zinc/00/75/79/569007579.db2.gz VPLTVFGRSAUZJX-UHFFFAOYSA-N 0 1 411.933 3.444 50 0 HGAAMN COc1ccc2c(c1)C=C(CN1CC[N@@H+](Cc3ccccc3C)[C@H](CCO)C1)CO2 ZINC000106689679 569009120 /nfs/dbraw/zinc/00/91/20/569009120.db2.gz VOZDFMKRDAILGC-HSZRJFAPSA-N 0 1 408.542 3.348 50 0 HGAAMN CCOC(=O)C1C(COC(=O)Cc2ccc(C)c(C)c2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000006165326 569015984 /nfs/dbraw/zinc/01/59/84/569015984.db2.gz GJYLVZZZSFJFQO-JOCHJYFZSA-N 0 1 422.481 3.260 50 0 HGAAMN O=C(c1cc(-c2cccs2)[nH]n1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 ZINC000575619006 569038334 /nfs/dbraw/zinc/03/83/34/569038334.db2.gz YZWKPGOKSNGFKT-GOSISDBHSA-N 0 1 401.513 3.140 50 0 HGAAMN CCC[C@@H]1CN(C(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CCN1CCOC ZINC000222183066 569039788 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571067443 /nfs/dbraw/zinc/06/74/43/571067443.db2.gz POWVUOGITXFTSF-UHFFFAOYSA-N 0 1 406.939 3.012 50 0 HGAAMN CCC[N@H+]1CCc2nc(SCC(=O)NCc3ccccc3Cl)[n-]c(=O)c2C1 ZINC000067291690 571067446 /nfs/dbraw/zinc/06/74/46/571067446.db2.gz POWVUOGITXFTSF-UHFFFAOYSA-N 0 1 406.939 3.012 50 0 HGAAMN COc1ccc([C@H](CNC(=O)c2cnn3c2nc(C)cc3C)N2CCCCC2)cc1 ZINC000040068943 571149126 /nfs/dbraw/zinc/14/91/26/571149126.db2.gz UYHRGXJAIBWWKC-NRFANRHFSA-N 0 1 407.518 3.312 50 0 HGAAMN CCc1ccccc1NC(=O)CSc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1N ZINC000009015388 571211530 /nfs/dbraw/zinc/21/15/30/571211530.db2.gz KVWDDSMQAJOZCZ-UHFFFAOYSA-N 0 1 419.514 3.342 50 0 HGAAMN Cc1cc(C)c2c(NC(=O)C(=O)NCCc3c[nH]c4ccc(Cl)cc34)n[nH]c2n1 ZINC000009421515 571257172 /nfs/dbraw/zinc/25/71/72/571257172.db2.gz ZIWBESUDYBAKLJ-UHFFFAOYSA-N 0 1 410.865 3.007 50 0 HGAAMN COc1cccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCC2)c1 ZINC000009684921 571279578 /nfs/dbraw/zinc/27/95/78/571279578.db2.gz DKVBOMIIMQBJKX-UHFFFAOYSA-N 0 1 405.520 3.077 50 0 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biogenic HGAAMN COC(=O)c1sc(NC(=O)CN(C2CC2)C2CCCCC2)c(C(=O)OC)c1C ZINC000032913416 522424880 /nfs/dbraw/zinc/42/48/80/522424880.db2.gz VXHBOILHURBBFW-UHFFFAOYSA-N 0 1 408.520 3.365 50 0 HGAAMN CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000029482835 522509182 /nfs/dbraw/zinc/50/91/82/522509182.db2.gz MDOBJFGXXDEHGR-OAQYLSRUSA-N 0 1 413.543 3.029 50 0 HGAAMN COc1cc(OC)c(C2=CCN(CCC(=O)Nc3cc(C)on3)CC2)c(OC)c1 ZINC000032860124 522791068 /nfs/dbraw/zinc/79/10/68/522791068.db2.gz TZRJAFQJEDHSIU-UHFFFAOYSA-N 0 1 401.463 3.127 50 0 HGAAMN COc1cccc([C@H](CNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N(C)C)c1 ZINC000041950314 524158620 /nfs/dbraw/zinc/15/86/20/524158620.db2.gz LFQWHDCOMMFZTH-MJGOQNOKSA-N 0 1 405.539 3.061 50 0 HGAAMN Cc1nn(C)c2nc(C)c(CCC(=O)NC[C@@H](c3cccc(F)c3)N(C)C)c(C)c12 ZINC000032730278 527683368 /nfs/dbraw/zinc/68/33/68/527683368.db2.gz XMUADBYOVXQUTH-FQEVSTJZSA-N 0 1 411.525 3.384 50 0 HGAAMN COc1cc2ncc(C(=O)c3ccccc3)c(N3CCC(C(N)=O)CC3)c2cc1OC ZINC000006820019 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407.470 3.335 50 0 HGAAMN CS(=O)(=O)N1CCC[C@@H](NCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000062258894 560588878 /nfs/dbraw/zinc/58/88/78/560588878.db2.gz GSXNHWRIOCFHAI-OAHLLOKOSA-N 0 1 402.438 3.479 50 0 HGAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N=c2[nH]c3ccccc3[nH]2)c1 ZINC000017304252 560707095 /nfs/dbraw/zinc/70/70/95/560707095.db2.gz LEYNVWDSAIFBNA-UHFFFAOYSA-N 0 1 422.466 3.047 50 0 HGAAMN Cc1cc(C)nc(-n2nc3[nH]c(CSc4ccc(Cl)cc4)cc(O)c-3c2=O)n1 ZINC000018029748 560772158 /nfs/dbraw/zinc/77/21/58/560772158.db2.gz ZTWGSXRPCZRHAT-UHFFFAOYSA-N 0 1 413.890 3.360 50 0 HGAAMN CC(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4cccc(Cl)c4)c3O)=NN2)cc1 ZINC000101763142 560800806 /nfs/dbraw/zinc/80/08/06/560800806.db2.gz XWHKKHOZPPIPMN-KRWDZBQOSA-N 0 1 424.888 3.447 50 0 HGAAMN Cc1ccc(-c2nn3c([n-]2)nc(C[NH+]2CCN(c4ccccc4)CC2)cc3=O)cc1C ZINC000101842200 560801223 /nfs/dbraw/zinc/80/12/23/560801223.db2.gz YKXNDTAZWGGBFS-UHFFFAOYSA-N 0 1 414.513 3.024 50 0 HGAAMN COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)c1OC ZINC000102558973 560818015 /nfs/dbraw/zinc/81/80/15/560818015.db2.gz SDEUKQBEQZDDCN-YOEHRIQHSA-N 0 1 421.236 3.303 50 0 HGAAMN CCc1ccccc1NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 ZINC000051316654 560856596 /nfs/dbraw/zinc/85/65/96/560856596.db2.gz DCDZDNFHLQPQSP-UHFFFAOYSA-N 0 1 405.483 3.402 50 0 HGAAMN Cc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)cc1C ZINC000051316652 560856644 /nfs/dbraw/zinc/85/66/44/560856644.db2.gz IFWBZZUUHMFYJT-UHFFFAOYSA-N 0 1 405.483 3.456 50 0 HGAAMN COc1cccc([C@@H](CNC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)N(C)C)c1 ZINC000048325244 568438558 /nfs/dbraw/zinc/43/85/58/568438558.db2.gz QYLHHCHSKTVUFS-LJQANCHMSA-N 0 1 418.921 3.472 50 0 HGAAMN Cc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)c1 ZINC000049626712 568452761 /nfs/dbraw/zinc/45/27/61/568452761.db2.gz VPMFYHWUKMLBMB-FYHVMQNLSA-N 0 1 424.585 3.402 50 0 biogenic HGAAMN COc1ccc(CNC(=O)[C@@H](C)Sc2nc(-c3cccs3)n[nH]2)cc1OC ZINC000007260103 568478006 /nfs/dbraw/zinc/47/80/06/568478006.db2.gz DHLQOWVTLJYWKS-LLVKDONJSA-N 0 1 404.517 3.347 50 0 HGAAMN Cc1ccc2nc(Cl)c3cc(C(=O)NCCN4CCN(C)CC4)sc3c2c1 ZINC000020321601 568598715 /nfs/dbraw/zinc/59/87/15/568598715.db2.gz NEDCDGRPZGPCFY-UHFFFAOYSA-N 0 1 402.951 3.389 50 0 HGAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCC(=O)NCCc4ccccc4)c3=O)c2c1 ZINC000020330311 568599378 /nfs/dbraw/zinc/59/93/78/568599378.db2.gz MAMIYRKFBFRMHP-UHFFFAOYSA-N 0 1 422.510 3.298 50 0 HGAAMN O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000095351580 568601100 /nfs/dbraw/zinc/60/11/00/568601100.db2.gz OMIARYYPJFVSEV-UHFFFAOYSA-N 0 1 409.423 3.174 50 0 HGAAMN COc1ccccc1-c1n[nH]c(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000040088566 568615250 /nfs/dbraw/zinc/61/52/50/568615250.db2.gz KPAYZMBLDGAROH-CYBMUJFWSA-N 0 1 401.467 3.066 50 0 HGAAMN Cc1cnn(-c2ccc(C(N)=O)cc2NS(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000095460455 568620207 /nfs/dbraw/zinc/62/02/07/568620207.db2.gz IARFEGSVHPECTL-UHFFFAOYSA-N 0 1 404.879 3.042 50 0 HGAAMN O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000095467861 568624773 /nfs/dbraw/zinc/62/47/73/568624773.db2.gz FSNHAPPHIBPRHY-LJQANCHMSA-N 0 1 402.458 3.068 50 0 HGAAMN O=C(NCCc1cnc[nH]1)c1cn(-c2cc(F)c(F)c(F)c2)c(=O)c2ccccc12 ZINC000095477838 568631151 /nfs/dbraw/zinc/63/11/51/568631151.db2.gz LBHIDEBYKKVERM-UHFFFAOYSA-N 0 1 412.371 3.104 50 0 HGAAMN COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1OC ZINC000020761384 568642418 /nfs/dbraw/zinc/64/24/18/568642418.db2.gz HUKAVMIPFSXWCN-FQEVSTJZSA-N 0 1 406.442 3.385 50 0 biogenic HGAAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2ccc(F)cc2)c(C)n1C ZINC000021030275 568659256 /nfs/dbraw/zinc/65/92/56/568659256.db2.gz LTPRIMSXVDLRGS-UHFFFAOYSA-N 0 1 407.511 3.454 50 0 HGAAMN COc1cccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCC(C)CC2)c1 ZINC000021155799 568673724 /nfs/dbraw/zinc/67/37/24/568673724.db2.gz FCKXTWOPNPCOES-UHFFFAOYSA-N 0 1 419.547 3.323 50 0 HGAAMN O=S(=O)(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1c(F)cccc1F ZINC000096121570 568699714 /nfs/dbraw/zinc/69/97/14/568699714.db2.gz PAONWNOGBFQWLD-UHFFFAOYSA-N 0 1 409.380 3.037 50 0 HGAAMN CCc1nnc(-c2cc(S(=O)(=O)Nc3ccc(Br)c(C)c3)c[nH]2)o1 ZINC000096321613 568728953 /nfs/dbraw/zinc/72/89/53/568728953.db2.gz OPRRSNCUPOSEAK-UHFFFAOYSA-N 0 1 411.281 3.499 50 0 HGAAMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H](CCSC)NC(=O)c2ccccc2)n[nH]1 ZINC000239653680 568729752 /nfs/dbraw/zinc/72/97/52/568729752.db2.gz BKTCMGUYQZQREL-DZKIICNBSA-N 0 1 403.552 3.047 50 0 HGAAMN CCOc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)cc1 ZINC000096324748 568734195 /nfs/dbraw/zinc/73/41/95/568734195.db2.gz OKLGEFCBLQQDPE-QGZVFWFLSA-N 0 1 419.485 3.361 50 0 HGAAMN CC(C)CN1CCN(C(=O)c2ccc3c(c2)CC(=O)N3Cc2ccc(F)cc2)CC1 ZINC000096386261 568742653 /nfs/dbraw/zinc/74/26/53/568742653.db2.gz NTOAOSUFPTWAJG-UHFFFAOYSA-N 0 1 409.505 3.329 50 0 HGAAMN O=C(Cc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000002623060 568788321 /nfs/dbraw/zinc/78/83/21/568788321.db2.gz PTJSUKPTPJULHX-UHFFFAOYSA-N 0 1 420.853 3.251 50 0 HGAAMN CCOC(=O)C1C(CN(C)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000057415465 568834200 /nfs/dbraw/zinc/83/42/00/568834200.db2.gz QGQJEAGKNQMRNY-QFIPXVFZSA-N 0 1 423.513 3.388 50 0 HGAAMN CCc1cccc(NS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)c1 ZINC000031666073 568837416 /nfs/dbraw/zinc/83/74/16/568837416.db2.gz QQBKPTWYMQNQOU-UHFFFAOYSA-N 0 1 411.277 3.143 50 0 HGAAMN O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccc(Cl)cc1C(F)(F)F ZINC000012532538 568844617 /nfs/dbraw/zinc/84/46/17/568844617.db2.gz GHQAHQBEWZTAAJ-UHFFFAOYSA-N 0 1 403.773 3.135 50 0 HGAAMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 ZINC000012561145 568858493 /nfs/dbraw/zinc/85/84/93/568858493.db2.gz BSOKIYMQOCMGNU-UHFFFAOYSA-N 0 1 417.512 3.484 50 0 HGAAMN CNC(=O)c1cc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCCCCC2)cs1 ZINC000670433852 568866203 /nfs/dbraw/zinc/86/62/03/568866203.db2.gz NJLYBUIEYKQDJS-GOSISDBHSA-N 0 1 421.588 3.003 50 0 HGAAMN NC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3cccs3)n[nH]1)CCCC2 ZINC000003326107 568881288 /nfs/dbraw/zinc/88/12/88/568881288.db2.gz HXCBSCDFSQOMKU-UHFFFAOYSA-N 0 1 419.557 3.303 50 0 HGAAMN COc1cccc([C@@H](CNC(=O)NCc2ccc(NC(=O)C(C)C)cc2)N(C)C)c1 ZINC000030988976 568907681 /nfs/dbraw/zinc/90/76/81/568907681.db2.gz QEDZSGCYIBSNFD-OAQYLSRUSA-N 0 1 412.534 3.392 50 0 HGAAMN O=c1c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c([O-])[nH]c(=S)n1CCc1ccccc1 ZINC000001322939 568914739 /nfs/dbraw/zinc/91/47/39/568914739.db2.gz GUDYFMZGYBKFRU-FQEVSTJZSA-N 0 1 418.522 3.197 50 0 biogenic HGAAMN COCCNc1nc(NCc2ccc(OC)cc2)nc(NCc2ccc(OC)cc2)n1 ZINC000083911695 568924700 /nfs/dbraw/zinc/92/47/00/568924700.db2.gz JXYDEDSUWCOODU-UHFFFAOYSA-N 0 1 424.505 3.171 50 0 HGAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000031808060 568931711 /nfs/dbraw/zinc/93/17/11/568931711.db2.gz LTYIMAYNKCSBRC-LLVKDONJSA-N 0 1 413.363 3.340 50 0 HGAAMN CC(C)c1nc(CNCCNS(=O)(=O)c2cccc(Cl)c2)c2ccccn21 ZINC000084630930 568953705 /nfs/dbraw/zinc/95/37/05/568953705.db2.gz OYMVVSZRLZDXEU-UHFFFAOYSA-N 0 1 406.939 3.179 50 0 HGAAMN CCC(=O)Nc1ccc(S(=O)(=O)N(CCN2CCCC2)Cc2ccccc2)cc1 ZINC000084718698 568957094 /nfs/dbraw/zinc/95/70/94/568957094.db2.gz DJADLPIRZRTBFS-UHFFFAOYSA-N 0 1 415.559 3.322 50 0 HGAAMN CCOc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)n[nH]2)cc1 ZINC000015680714 568967550 /nfs/dbraw/zinc/96/75/50/568967550.db2.gz DFMMXVCAMNOHHE-UHFFFAOYSA-N 0 1 422.460 3.213 50 0 HGAAMN COc1ccc([C@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)N2CCCC2)cc1 ZINC000008193168 568981802 /nfs/dbraw/zinc/98/18/02/568981802.db2.gz WMCRFTYKQKPIRV-QFIPXVFZSA-N 0 1 407.514 3.389 50 0 HGAAMN COc1ccc2c(c1)O[C@H](C)CN(CCC(=O)N[C@H](c1cccnc1)C(F)(F)F)C2 ZINC000011790203 568986688 /nfs/dbraw/zinc/98/66/88/568986688.db2.gz SWSFBZLAUUIQPF-JLTOFOAXSA-N 0 1 423.435 3.483 50 0 HGAAMN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000063801540 569016845 /nfs/dbraw/zinc/01/68/45/569016845.db2.gz YLKGNFKZMSYUBB-INIZCTEOSA-N 0 1 401.617 3.213 50 0 HGAAMN CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)c1C ZINC000012932463 569025085 /nfs/dbraw/zinc/02/50/85/569025085.db2.gz VPHBIILAPDLPII-LJQANCHMSA-N 0 1 413.518 3.384 50 0 HGAAMN CCOC(=O)c1cccc(NS(=O)(=O)c2cc(-c3noc(C)n3)sc2C)c1 ZINC000035539073 569043616 /nfs/dbraw/zinc/04/36/16/569043616.db2.gz YCJURZXOBTZSRB-UHFFFAOYSA-N 0 1 407.473 3.392 50 0 HGAAMN COc1cc(C(=O)NCc2n[nH]c(=S)n2-c2ccc(F)cc2)cc(OC)c1OC ZINC000006414242 569046914 /nfs/dbraw/zinc/04/69/14/569046914.db2.gz OHJDKHHHNQFZRQ-UHFFFAOYSA-N 0 1 418.450 3.025 50 0 HGAAMN O=C(CN1CC[C@H]2CCCC[C@@H]2C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000006551948 569065228 /nfs/dbraw/zinc/06/52/28/569065228.db2.gz VZRZWBFGPKVRJF-RTBURBONSA-N 0 1 419.591 3.312 50 0 HGAAMN C[C@H](Nc1ncnc2[nH]cnc21)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1 ZINC000035943170 569066990 /nfs/dbraw/zinc/06/69/90/569066990.db2.gz DOCINCLJNAXZQF-LBPRGKRZSA-N 0 1 401.405 3.364 50 0 HGAAMN Cc1cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc(N2CCCC2)n1 ZINC000064799732 569097341 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CCOc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)OCCCO3)O[C@@H](C)C2 ZINC000021900834 558454760 /nfs/dbraw/zinc/45/47/60/558454760.db2.gz XKWTUIAIXDTKAM-ZDUSSCGKSA-N 0 1 405.472 3.371 50 0 HGAAMN CCn1ncc(CN2CCC(O)(Cc3cc(-c4cccc(OC)c4)no3)CC2)c1C ZINC000012760642 558460902 /nfs/dbraw/zinc/46/09/02/558460902.db2.gz HPYAUTFEVPLUOH-UHFFFAOYSA-N 0 1 410.518 3.445 50 0 HGAAMN O=c1c(Cl)c(NCCN2CCN(Cc3ccccc3)CC2)cnn1-c1ccccc1 ZINC000022935168 558526193 /nfs/dbraw/zinc/52/61/93/558526193.db2.gz SNZGENNJCQZOAP-UHFFFAOYSA-N 0 1 423.948 3.116 50 0 HGAAMN C[C@@H]1CN(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)C[C@H](C)O1 ZINC000013569470 558541432 /nfs/dbraw/zinc/54/14/32/558541432.db2.gz GHCWLGOHHUXUIO-GASCZTMLSA-N 0 1 409.438 3.180 50 0 biogenic HGAAMN O=C(Nc1cccc(C(F)(F)F)c1)[C@H](NCCN1CCOCC1)c1ccccc1 ZINC000023426126 558558297 /nfs/dbraw/zinc/55/82/97/558558297.db2.gz SXDRCZWGAGEVLE-LJQANCHMSA-N 0 1 407.436 3.307 50 0 HGAAMN CCCCOC(=O)c1ccc(NC(=O)Cc2c(O)nc3[nH]c4ccccc4n32)cc1 ZINC000013722615 558582690 /nfs/dbraw/zinc/58/26/90/558582690.db2.gz LNNQHXBCIAQVQY-GOSISDBHSA-N 0 1 406.442 3.169 50 0 HGAAMN O[C@@H](COCc1cccs1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000024632093 558605806 /nfs/dbraw/zinc/60/58/06/558605806.db2.gz MZJADLNSIFQRAD-QGZVFWFLSA-N 0 1 400.466 3.467 50 0 HGAAMN CN(CCN1C(=O)CNC1=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000024843652 558617153 /nfs/dbraw/zinc/61/71/53/558617153.db2.gz QFDXTIFQUJCRPC-UHFFFAOYSA-N 0 1 423.904 3.176 50 0 HGAAMN O=C(CCNC(=O)c1ccc2ccccc2c1)NCCN1CCc2ccccc2C1 ZINC000024915949 558620179 /nfs/dbraw/zinc/62/01/79/558620179.db2.gz ABXPAUQETORPGV-UHFFFAOYSA-N 0 1 401.510 3.134 50 0 HGAAMN CC(C)[C@@H](NCC(=O)N1CC(=O)Nc2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000014232977 558640495 /nfs/dbraw/zinc/64/04/95/558640495.db2.gz IQVIARQMGFVHCW-HSZRJFAPSA-N 0 1 409.486 3.120 50 0 HGAAMN CCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)COc3ccc(C)cc3)ccc21 ZINC000022936132 558666429 /nfs/dbraw/zinc/66/64/29/558666429.db2.gz QGKORUKSVWTZLH-UHFFFAOYSA-N 0 1 421.545 3.130 50 0 HGAAMN Cc1cccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1C ZINC000027793275 558682638 /nfs/dbraw/zinc/68/26/38/558682638.db2.gz JQFSPRWYTLCTQD-OAQYLSRUSA-N 0 1 415.965 3.441 50 0 HGAAMN CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)c3ccc4c(c3)no[n+]4[O-])C2)cc1 ZINC000014966596 558685966 /nfs/dbraw/zinc/68/59/66/558685966.db2.gz AMOVUOOYIHATNF-FQEVSTJZSA-N 0 1 408.502 3.054 50 0 HGAAMN OCCOc1ccc(CNCc2ccccc2Cn2cccn2)c(Br)c1 ZINC000029656470 558718341 /nfs/dbraw/zinc/71/83/41/558718341.db2.gz JHSKXPNBFFYUIT-UHFFFAOYSA-N 0 1 416.319 3.355 50 0 HGAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C3(C(=O)NC(C)C)CC3)cc2)c1 ZINC000033274514 558764073 /nfs/dbraw/zinc/76/40/73/558764073.db2.gz CGQRPHCCKLZMGG-UHFFFAOYSA-N 0 1 418.515 3.061 50 0 HGAAMN COc1cc(Cl)cc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)c1OC ZINC000039454781 558821474 /nfs/dbraw/zinc/82/14/74/558821474.db2.gz FUKBEBOSYDHBLT-HXUWFJFHSA-N 0 1 404.938 3.426 50 0 HGAAMN CC(=O)Nc1nc2ccc(NS(=O)(=O)c3cc(C)ccc3NC(C)=O)cc2s1 ZINC000033007614 558828508 /nfs/dbraw/zinc/82/85/08/558828508.db2.gz LPWOSSXYQWQMHJ-UHFFFAOYSA-N 0 1 418.500 3.322 50 0 HGAAMN CN(Cc1n[nH]c2c1CCCC2)C(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1 ZINC000019143905 558846371 /nfs/dbraw/zinc/84/63/71/558846371.db2.gz YESQBSMNTPHTDH-UHFFFAOYSA-N 0 1 418.501 3.335 50 0 HGAAMN Ic1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1 ZINC000053151316 558862831 /nfs/dbraw/zinc/86/28/31/558862831.db2.gz OOEUHRGMLFVKQO-UHFFFAOYSA-N 0 1 418.282 3.490 50 0 in-vitro HGAAMN O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1CCC[C@@H](N2CCCC2)C1 ZINC000058268693 558916077 /nfs/dbraw/zinc/91/60/77/558916077.db2.gz RNIBFJNPVVQZCL-GOSISDBHSA-N 0 1 405.564 3.495 50 0 HGAAMN Cc1ccc(OCC(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000059300012 558933609 /nfs/dbraw/zinc/93/36/09/558933609.db2.gz JQZALQNCELMQPP-QFIPXVFZSA-N 0 1 411.521 3.326 50 0 HGAAMN O=C(CCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cn2cncn2)cc1 ZINC000072403520 558964324 /nfs/dbraw/zinc/96/43/24/558964324.db2.gz NHGNBEPFGKEBLV-UHFFFAOYSA-N 0 1 424.936 3.131 50 0 HGAAMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(OC)cc(OC)c3)n2)cc1 ZINC000021943259 558979512 /nfs/dbraw/zinc/97/95/12/558979512.db2.gz RAALYDQUFPWRIA-UHFFFAOYSA-N 0 1 400.460 3.228 50 0 HGAAMN C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022025275 558985059 /nfs/dbraw/zinc/98/50/59/558985059.db2.gz VRMNIGKESLFBCA-HNNXBMFYSA-N 0 1 413.572 3.358 50 0 HGAAMN O[C@@H](COCCOc1ccc(Cl)cc1)CN1CCN(c2ccc(F)cc2)CC1 ZINC000023224715 559062753 /nfs/dbraw/zinc/06/27/53/559062753.db2.gz UVUNLILQKZSHRB-HXUWFJFHSA-N 0 1 408.901 3.058 50 0 HGAAMN COCCN(C[C@@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000247808690 559119560 /nfs/dbraw/zinc/11/95/60/559119560.db2.gz BFMVLCFRMIGXQR-RXVVDRJESA-N 0 1 420.550 3.224 50 0 HGAAMN COc1ccc(NC(=O)c2ccc(CN3CCN(C[C@H]4CCCO4)CC3)cc2)cc1 ZINC000023761757 559180975 /nfs/dbraw/zinc/18/09/75/559180975.db2.gz GSINNJPYHCFING-HSZRJFAPSA-N 0 1 409.530 3.244 50 0 HGAAMN Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c1Cl ZINC000005602664 560629285 /nfs/dbraw/zinc/62/92/85/560629285.db2.gz AEKGWBJDKIBVQT-UHFFFAOYSA-N 0 1 409.316 3.058 50 0 HGAAMN COc1ccc(NS(=O)(=O)c2ccc(OC)c(Br)c2)c(OC)c1 ZINC000000857805 560725996 /nfs/dbraw/zinc/72/59/96/560725996.db2.gz RWKICTQOOFHAJV-UHFFFAOYSA-N 0 1 402.266 3.276 50 0 HGAAMN O=c1occ(CN2CCN(c3cccc(Cl)c3)CC2)c([O-])c1C[NH+]1CCCCC1 ZINC000101373378 560792448 /nfs/dbraw/zinc/79/24/48/560792448.db2.gz QPYCQGZSDMBGPJ-UHFFFAOYSA-N 0 1 417.937 3.307 50 0 HGAAMN COc1cccc(C(=O)NC2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)c1 ZINC000046836426 560878407 /nfs/dbraw/zinc/87/84/07/560878407.db2.gz HXKSALNOHDTXBE-UHFFFAOYSA-N 0 1 422.460 3.259 50 0 HGAAMN Cc1sc(-c2ccco2)nc1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000107527301 560896761 /nfs/dbraw/zinc/89/67/61/560896761.db2.gz BJTHURNOIMYEGL-ROUUACIJSA-N 0 1 411.527 3.324 50 0 HGAAMN O=C(NCC1CC1)[C@@H]1CCCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000048303172 568437939 /nfs/dbraw/zinc/43/79/39/568437939.db2.gz HEGBMSRZWOAUGS-GOSISDBHSA-N 0 1 422.554 3.161 50 0 HGAAMN COc1ccc(CNCc2cc3c(c(Br)c2)OCO3)c(OC)c1OC ZINC000048747650 568443408 /nfs/dbraw/zinc/44/34/08/568443408.db2.gz DFQDJZIBEIYQIZ-UHFFFAOYSA-N 0 1 410.264 3.493 50 0 HGAAMN O=C(NCCCn1ccnc1)c1ccccc1OC1CCN(Cc2ccccn2)CC1 ZINC000012306182 568464556 /nfs/dbraw/zinc/46/45/56/568464556.db2.gz BWIHPKLOBOWMHU-UHFFFAOYSA-N 0 1 419.529 3.142 50 0 HGAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@H](c1ccccc1Br)CC(=O)N2 ZINC000031807805 568505352 /nfs/dbraw/zinc/50/53/52/568505352.db2.gz QOJNAJCZNKFGBP-LLVKDONJSA-N 0 1 424.262 3.084 50 0 HGAAMN CCCN1CCN(C(=O)[C@@H](CC)n2nc(C)c3sc4ccccc4c3c2=O)CC1 ZINC000020467018 568610292 /nfs/dbraw/zinc/61/02/92/568610292.db2.gz DDNCSWZFYNEXKA-QGZVFWFLSA-N 0 1 412.559 3.425 50 0 HGAAMN CCn1ccnc1[C@H](NC[C@@H]1CCOC1)c1ccc(I)cc1 ZINC000095452950 568615539 /nfs/dbraw/zinc/61/55/39/568615539.db2.gz MMYRFVCGRLJOSE-XJKSGUPXSA-N 0 1 411.287 3.223 50 0 HGAAMN CCn1ccnc1[C@@H](NC[C@H]1CCOC1)c1ccc(I)cc1 ZINC000095452953 568615580 /nfs/dbraw/zinc/61/55/80/568615580.db2.gz MMYRFVCGRLJOSE-CJNGLKHVSA-N 0 1 411.287 3.223 50 0 HGAAMN CCc1cccc(CC)c1NS(=O)(=O)c1cc(CCNC(C)=O)ccc1OC ZINC000095453947 568615931 /nfs/dbraw/zinc/61/59/31/568615931.db2.gz DUIZOAKEQXUMNJ-UHFFFAOYSA-N 0 1 404.532 3.299 50 0 HGAAMN CCCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000020677540 568639706 /nfs/dbraw/zinc/63/97/06/568639706.db2.gz JXMAYDKUMHVQGU-UHFFFAOYSA-N 0 1 421.545 3.455 50 0 HGAAMN COc1ccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCC(C)CC2)cc1 ZINC000021155802 568673590 /nfs/dbraw/zinc/67/35/90/568673590.db2.gz IBUNSHUMVHGVEY-UHFFFAOYSA-N 0 1 419.547 3.323 50 0 HGAAMN COC(=O)C[C@@H](c1c(O)nc2ccc(Cl)cn2c1=O)C1=Cc2ccccc2OC1 ZINC000096115087 568694579 /nfs/dbraw/zinc/69/45/79/568694579.db2.gz QEMJJXOSXGNHAS-OAHLLOKOSA-N 0 1 412.829 3.176 50 0 biogenic HGAAMN Cc1cc(F)ccc1NC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)[nH]n2)C1 ZINC000096324646 568733930 /nfs/dbraw/zinc/73/39/30/568733930.db2.gz AZABNHLLUZZZQR-INIZCTEOSA-N 0 1 407.449 3.410 50 0 HGAAMN C[C@H]1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000096324613 568734041 /nfs/dbraw/zinc/73/40/41/568734041.db2.gz FHGYEOPKBVHTRK-INIZCTEOSA-N 0 1 415.497 3.302 50 0 HGAAMN CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)[nH]c(C)c2-c2nc(C3CC3)no2)cc1 ZINC000096379859 568741639 /nfs/dbraw/zinc/74/16/39/568741639.db2.gz MWLOMUDNYAGUMD-UHFFFAOYSA-N 0 1 415.475 3.318 50 0 HGAAMN COc1ccc(NC(=O)CN2CCCCCCC2)cc1S(=O)(=O)N1CCCCC1 ZINC000005855026 568826097 /nfs/dbraw/zinc/82/60/97/568826097.db2.gz YSJWZJBSYZULKL-UHFFFAOYSA-N 0 1 423.579 3.074 50 0 HGAAMN CCOC(=O)C1C(CN(CC)Cc2ccccc2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414707 568833633 /nfs/dbraw/zinc/83/36/33/568833633.db2.gz JHIMZJADXKPJKZ-JOCHJYFZSA-N 0 1 423.513 3.388 50 0 HGAAMN COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cccc(F)c4N4CCCC[C@H]43)C2=O)cc1 ZINC000230156776 568853079 /nfs/dbraw/zinc/85/30/79/568853079.db2.gz JYLLIHUHWDLDPD-MBSDFSHPSA-N 0 1 423.444 3.019 50 0 HGAAMN Cc1cccc(N2CCN(CCCCNS(=O)(=O)/C=C/c3ccccc3)CC2)c1 ZINC000030361157 568861989 /nfs/dbraw/zinc/86/19/89/568861989.db2.gz WRBDRVCTICGWPF-XDHOZWIPSA-N 0 1 413.587 3.488 50 0 HGAAMN O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1Br ZINC000012585137 568866187 /nfs/dbraw/zinc/86/61/87/568866187.db2.gz RBSFGELMNZASNP-UHFFFAOYSA-N 0 1 420.292 3.238 50 0 HGAAMN O=c1[nH]c2cc(S(=O)(=O)NC[C@H](c3ccccc3)N3CCCCCC3)ccc2o1 ZINC000670434378 568869654 /nfs/dbraw/zinc/86/96/54/568869654.db2.gz OYQNYZONSGKOLM-LJQANCHMSA-N 0 1 415.515 3.429 50 0 HGAAMN COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1cc(Br)ccc1C ZINC000058004326 568874481 /nfs/dbraw/zinc/87/44/81/568874481.db2.gz KXRFDGRSQKWXAU-UHFFFAOYSA-N 0 1 414.277 3.354 50 0 HGAAMN O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(Cc2ccccc2F)CC1 ZINC000299785290 568875457 /nfs/dbraw/zinc/87/54/57/568875457.db2.gz ZYPHDWZNGQDHQA-OAQYLSRUSA-N 0 1 416.468 3.236 50 0 HGAAMN COc1cc(CC[C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)ccc1O ZINC000004038160 568879857 /nfs/dbraw/zinc/87/98/57/568879857.db2.gz YFGLNZHQZLOTLC-IAGOWNOFSA-N 0 1 415.486 3.051 50 0 biogenic HGAAMN O=C(NCCN1CCc2ccccc2C1)c1ccc(I)cc1 ZINC000031337935 568924450 /nfs/dbraw/zinc/92/44/50/568924450.db2.gz VRDSTCKEQGKPDM-UHFFFAOYSA-N 0 1 406.267 3.079 50 0 HGAAMN Cc1nn(C)c(C)c1[C@@H](NC(=O)Nc1ccccc1N1CCN(C)CC1)C(F)(F)F ZINC000084011923 568932902 /nfs/dbraw/zinc/93/29/02/568932902.db2.gz VHCVZSGJKBVKME-GOSISDBHSA-N 0 1 424.471 3.214 50 0 HGAAMN O=C(Cn1c(=O)cnc2ccccc21)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000012758219 568943406 /nfs/dbraw/zinc/94/34/06/568943406.db2.gz LTWSFADDZQODLJ-DEOSSOPVSA-N 0 1 409.449 3.179 50 0 HGAAMN CCN(CC)[C@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1Cl ZINC000012765465 568948048 /nfs/dbraw/zinc/94/80/48/568948048.db2.gz PZTUMEPKCZPJGJ-GOSISDBHSA-N 0 1 424.954 3.192 50 0 HGAAMN C[C@H](c1nc(-c2nc[nH]n2)no1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000084667731 568955066 /nfs/dbraw/zinc/95/50/66/568955066.db2.gz INIHMUJMUHDMQV-QGZVFWFLSA-N 0 1 415.501 3.323 50 0 HGAAMN CCCCN(CCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1)Cc1ccco1 ZINC000015677603 568965803 /nfs/dbraw/zinc/96/58/03/568965803.db2.gz GNERKWVSRLDMDZ-UHFFFAOYSA-N 0 1 422.529 3.358 50 0 HGAAMN COc1ccccc1C(=O)N1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)CC1 ZINC000015680747 568967530 /nfs/dbraw/zinc/96/75/30/568967530.db2.gz RRZPCRZDRFKUEF-UHFFFAOYSA-N 0 1 418.497 3.300 50 0 HGAAMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000015680684 568967564 /nfs/dbraw/zinc/96/75/64/568967564.db2.gz KGGKKVRFWDLOLI-UHFFFAOYSA-N 0 1 412.852 3.467 50 0 HGAAMN CCCc1nn2c(nc(CSc3nc(-c4ccccc4F)n[nH]3)cc2=O)s1 ZINC000015732019 568982119 /nfs/dbraw/zinc/98/21/19/568982119.db2.gz DFVKXKNLGTTZAA-UHFFFAOYSA-N 0 1 402.480 3.320 50 0 HGAAMN O=S(=O)(c1cccc(CN2CCC(Cc3ccccc3)CC2)c1)N1CCOCC1 ZINC000008307097 568988594 /nfs/dbraw/zinc/98/85/94/568988594.db2.gz MIRHBNUXABJJAE-UHFFFAOYSA-N 0 1 414.571 3.162 50 0 HGAAMN CCOC(=O)C1C(COC(=O)CCc2ccsc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000008314908 568989836 /nfs/dbraw/zinc/98/98/36/568989836.db2.gz OJIOLBIKYTZSQT-IBGZPJMESA-N 0 1 414.483 3.095 50 0 HGAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc(I)c1 ZINC000006432405 569050431 /nfs/dbraw/zinc/05/04/31/569050431.db2.gz BOLBYCBNPRKGAN-OAHLLOKOSA-N 0 1 410.255 3.451 50 0 HGAAMN Cc1ccccc1CN1CCN(Cc2cnn(-c3ccccc3F)c2)C[C@H]1CCO ZINC000104338751 569008339 /nfs/dbraw/zinc/00/83/39/569008339.db2.gz FIYKRICMJPUFLY-JOCHJYFZSA-N 0 1 408.521 3.389 50 0 HGAAMN COc1ccc(C[N@H+]2CCN(Cc3cc(CC(C)C)n[nH]3)C[C@H]2CCO)c(C)c1C ZINC000106740157 569009205 /nfs/dbraw/zinc/00/92/05/569009205.db2.gz WLKIKMBLCSUMDZ-HSZRJFAPSA-N 0 1 414.594 3.302 50 0 HGAAMN COc1ccc(C[N@H+]2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@H]2CCO)c(C)c1C ZINC000106740157 569009208 /nfs/dbraw/zinc/00/92/08/569009208.db2.gz WLKIKMBLCSUMDZ-HSZRJFAPSA-N 0 1 414.594 3.302 50 0 HGAAMN COc1ccc(NC(=O)C[C@H](C)CC2=Nc3ccccc3S(=O)(=O)N2)c(OC)c1 ZINC000015826841 569011569 /nfs/dbraw/zinc/01/15/69/569011569.db2.gz BBOLOSMAVAYQCH-CYBMUJFWSA-N 0 1 417.487 3.081 50 0 HGAAMN O=C(Cc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000016024836 569026288 /nfs/dbraw/zinc/02/62/88/569026288.db2.gz VEFLCJUWJACKLF-UHFFFAOYSA-N 0 1 402.863 3.112 50 0 HGAAMN CC(C)C[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000016042051 569028162 /nfs/dbraw/zinc/02/81/62/569028162.db2.gz ZYLKFGNREPUGAC-QPXQOZNCSA-N 0 1 423.900 3.311 50 0 biogenic HGAAMN O=C1NC2(CCN(Cc3cccc(F)c3)CC2)N=C1c1ccc(Br)cc1 ZINC000035430929 569036761 /nfs/dbraw/zinc/03/67/61/569036761.db2.gz LGXHCYJCAPAENL-UHFFFAOYSA-N 0 1 416.294 3.499 50 0 HGAAMN CCC[C@H]1CN(C(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CCN1CCOC ZINC000222183114 569039767 /nfs/dbraw/zinc/03/97/67/569039767.db2.gz VMOHIQYDZLSLFW-SFTDATJTSA-N 0 1 416.610 3.453 50 0 HGAAMN O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000013001544 569049511 /nfs/dbraw/zinc/04/95/11/569049511.db2.gz JOZUWPIWSNXBEX-HXUWFJFHSA-N 0 1 410.905 3.072 50 0 HGAAMN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000239402894 569054299 /nfs/dbraw/zinc/05/42/99/569054299.db2.gz RGMFWZJLWGHHAD-QYZOEREBSA-N 0 1 419.591 3.310 50 0 HGAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000245242166 569055298 /nfs/dbraw/zinc/05/52/98/569055298.db2.gz GDODBXYULPSREU-KEXUJGGDSA-N 0 1 421.884 3.080 50 0 HGAAMN COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCCC2)ccc1O ZINC000006641827 569078134 /nfs/dbraw/zinc/07/81/34/569078134.db2.gz WTNJGYFYMAQZAK-LEOXJPRUSA-N 0 1 402.535 3.081 50 0 biogenic HGAAMN CCCOc1cccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCO)c1 ZINC000006753199 569111715 /nfs/dbraw/zinc/11/17/15/569111715.db2.gz SADAKIRBOCIDOB-JOCHJYFZSA-N 0 1 407.470 3.417 50 0 HGAAMN CC[C@H](C)[C@@H](NC[C@@H](O)COCC(C)C)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000169680059 569126784 /nfs/dbraw/zinc/12/67/84/569126784.db2.gz IGQLYGXVUANRAH-ZSZQSSIHSA-N 0 1 405.495 3.176 50 0 HGAAMN CC(C)Cc1ccc(S(=O)(=O)NCCc2nnc(-c3ccc(F)cc3)[nH]2)cc1 ZINC000064969594 569138229 /nfs/dbraw/zinc/13/82/29/569138229.db2.gz DYTJOENFRUCLJK-UHFFFAOYSA-N 0 1 402.495 3.330 50 0 HGAAMN CCCc1ccc(S(=O)(=O)NCCc2n[nH]c(Cc3ccc(F)cc3)n2)cc1 ZINC000064969683 569138486 /nfs/dbraw/zinc/13/84/86/569138486.db2.gz BPSBSQFEZXZHRX-UHFFFAOYSA-N 0 1 402.495 3.008 50 0 HGAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2cccc(F)c2)CC1 ZINC000036344812 569142876 /nfs/dbraw/zinc/14/28/76/569142876.db2.gz RBDFOFPLWNCRDD-QFIPXVFZSA-N 0 1 424.520 3.150 50 0 HGAAMN CCN1CCN(CC(=O)N2N=C(c3cccc(F)c3)C[C@@H]2c2ccccc2C)CC1 ZINC000036345704 569143372 /nfs/dbraw/zinc/14/33/72/569143372.db2.gz VVTJFMPDVHTMLS-HSZRJFAPSA-N 0 1 408.521 3.449 50 0 HGAAMN Cc1ccc2nc(SCC(=O)N([C@H]3CCS(=O)(=O)C3)C3CCCCC3)[nH]c2c1 ZINC000006908864 569178758 /nfs/dbraw/zinc/17/87/58/569178758.db2.gz ASMHJVQATKJBPE-INIZCTEOSA-N 0 1 421.588 3.312 50 0 HGAAMN CC(=O)Nc1cc2nc(C)ccc2c(C(=O)NCCN2CCc3ccccc3C2)c1 ZINC000065135939 569184064 /nfs/dbraw/zinc/18/40/64/569184064.db2.gz HXJQGWNCIYSNRK-UHFFFAOYSA-N 0 1 402.498 3.290 50 0 HGAAMN CN1CCN(CCNC(=O)c2ccc(-c3ccc(N4CCCCCC4)nc3)cc2)CC1 ZINC000065178273 569191835 /nfs/dbraw/zinc/19/18/35/569191835.db2.gz HMCCFVQFEQGQMI-UHFFFAOYSA-N 0 1 421.589 3.106 50 0 HGAAMN CCOc1ccc(NS(=O)(=O)c2c(C)n(C)c(C)c2-c2nc(CC)no2)cc1 ZINC000065194564 569192797 /nfs/dbraw/zinc/19/27/97/569192797.db2.gz HGVUJUWJWSVXIQ-UHFFFAOYSA-N 0 1 404.492 3.454 50 0 HGAAMN CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1)C(=O)OC ZINC000036585741 569203229 /nfs/dbraw/zinc/20/32/29/569203229.db2.gz PJKHFXQCEFVQRK-IWEFOYFVSA-N 0 1 404.898 3.308 50 0 HGAAMN CCN(C(=O)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 ZINC000065532766 569234516 /nfs/dbraw/zinc/23/45/16/569234516.db2.gz NUZRRQVYMGLDOS-UHFFFAOYSA-N 0 1 419.447 3.238 50 0 HGAAMN Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000017012294 569271477 /nfs/dbraw/zinc/27/14/77/569271477.db2.gz JMSXKTSPWREUQQ-UHFFFAOYSA-N 0 1 419.451 3.366 50 0 HGAAMN CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)c(Cl)c1)C(=O)OC ZINC000252533167 569292757 /nfs/dbraw/zinc/29/27/57/569292757.db2.gz GCFGODKLZVWZJP-LIXBPZJASA-N 0 1 422.888 3.447 50 0 HGAAMN COCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000037560721 569307118 /nfs/dbraw/zinc/30/71/18/569307118.db2.gz ICNIABCHMLEMCI-UHFFFAOYSA-N 0 1 416.493 3.487 50 0 HGAAMN CC[NH+]1CCC(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)CC1 ZINC000007776956 569308485 /nfs/dbraw/zinc/30/84/85/569308485.db2.gz SPESQIKWYYEEEB-UHFFFAOYSA-N 0 1 415.559 3.318 50 0 HGAAMN COc1cc(CC[C@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)ccc1O ZINC000012661120 569402627 /nfs/dbraw/zinc/40/26/27/569402627.db2.gz YFGLNZHQZLOTLC-IRXDYDNUSA-N 0 1 415.486 3.051 50 0 biogenic HGAAMN Cc1ccccc1CN(C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013040383 569407962 /nfs/dbraw/zinc/40/79/62/569407962.db2.gz AIHXSZXTMAGJLH-SFHVURJKSA-N 0 1 415.559 3.239 50 0 HGAAMN CCc1ccc(Nc2nn[nH]c2C(=O)N2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000067284201 571063158 /nfs/dbraw/zinc/06/31/58/571063158.db2.gz ZIROFIILYZADLZ-UHFFFAOYSA-N 0 1 406.490 3.082 50 0 HGAAMN CCc1ccc(Nc2nn[nH]c2C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 ZINC000067284231 571063321 /nfs/dbraw/zinc/06/33/21/571063321.db2.gz MZDRENKHAXQRCF-UHFFFAOYSA-N 0 1 418.501 3.276 50 0 HGAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc(CO)cc2)c1 ZINC000008710353 571105112 /nfs/dbraw/zinc/10/51/12/571105112.db2.gz QHWFZRWLLPLLGK-UHFFFAOYSA-N 0 1 412.467 3.241 50 0 HGAAMN CSc1ccccc1NC(=O)CCN1CCN(Cc2cn3ccccc3n2)CC1 ZINC000040033478 571141096 /nfs/dbraw/zinc/14/10/96/571141096.db2.gz QKJUTZSYVYCJGA-UHFFFAOYSA-N 0 1 409.559 3.203 50 0 HGAAMN CCN1CCN(c2ccc(CNC(=O)c3csc(-c4cccs4)n3)cn2)CC1 ZINC000040121468 571177505 /nfs/dbraw/zinc/17/75/05/571177505.db2.gz ANSUKODGFVUBLP-UHFFFAOYSA-N 0 1 413.572 3.339 50 0 HGAAMN Cc1cccc(NC(=O)C2CCN([C@H](C)C(=O)N3CCc4sccc4C3)CC2)n1 ZINC000040154616 571201710 /nfs/dbraw/zinc/20/17/10/571201710.db2.gz OAWLGOGNLHBUAS-MRXNPFEDSA-N 0 1 412.559 3.075 50 0 HGAAMN CN1CC(=O)Nc2cc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)ccc21 ZINC000040155388 571202750 /nfs/dbraw/zinc/20/27/50/571202750.db2.gz WPWNGQJAVFFRCY-FQEVSTJZSA-N 0 1 412.921 3.295 50 0 HGAAMN COC(=O)C1C(CSc2nc3ccccc3[nH]2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000008994159 571208310 /nfs/dbraw/zinc/20/83/10/571208310.db2.gz YSNOCLFYBFPYNG-SFHVURJKSA-N 0 1 424.482 3.145 50 0 HGAAMN O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCc1ccccn1 ZINC000009060880 571217415 /nfs/dbraw/zinc/21/74/15/571217415.db2.gz LBULICDIWKVVGB-UHFFFAOYSA-N 0 1 402.406 3.256 50 0 biogenic HGAAMN CCOC(=O)C1=C(CN2CCCC[C@H]2C)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000245326905 571224967 /nfs/dbraw/zinc/22/49/67/571224967.db2.gz HBNKXLQEHLNBGD-IERDGZPVSA-N 0 1 415.534 3.473 50 0 HGAAMN C[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 ZINC000245330415 571225476 /nfs/dbraw/zinc/22/54/76/571225476.db2.gz YJMIRHVDCFQELY-LAUBAEHRSA-N 0 1 414.571 3.346 50 0 HGAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1Cl ZINC000009151537 571230226 /nfs/dbraw/zinc/23/02/26/571230226.db2.gz SAIFYWCCXLPRQC-NSHDSACASA-N 0 1 424.906 3.456 50 0 HGAAMN COc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccccc3)c2)cc1OC ZINC000009151966 571230687 /nfs/dbraw/zinc/23/06/87/571230687.db2.gz DQOURMWZSLLPGD-UHFFFAOYSA-N 0 1 413.455 3.152 50 0 HGAAMN C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000009157176 571231920 /nfs/dbraw/zinc/23/19/20/571231920.db2.gz ZVSLUWFTFAVQRZ-SNVBAGLBSA-N 0 1 408.530 3.268 50 0 HGAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2C ZINC000009165689 571232538 /nfs/dbraw/zinc/23/25/38/571232538.db2.gz JSOYUPOVFYUYLZ-UHFFFAOYSA-N 0 1 418.515 3.494 50 0 HGAAMN CCc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c1 ZINC000009170272 571233615 /nfs/dbraw/zinc/23/36/15/571233615.db2.gz VORFOOVHHNRHDH-UHFFFAOYSA-N 0 1 418.515 3.440 50 0 HGAAMN CC(C)NC(=O)N1CCCCC[C@H]1C1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000069817101 571245689 /nfs/dbraw/zinc/24/56/89/571245689.db2.gz DBZTVXLQVMWMEM-NRFANRHFSA-N 0 1 400.567 3.360 50 0 HGAAMN COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1O ZINC000017968169 571314291 /nfs/dbraw/zinc/31/42/91/571314291.db2.gz WSHHNQRDRHXDKN-UWJYYQICSA-N 0 1 423.465 3.467 50 0 HGAAMN CC(=O)N1CCc2cc([C@@H](O)CN3CCN(c4cc(Cl)ccc4C)CC3)ccc21 ZINC000020287256 571314589 /nfs/dbraw/zinc/31/45/89/571314589.db2.gz FRRHGAGXDMRXQG-QHCPKHFHSA-N 0 1 413.949 3.413 50 0 HGAAMN Cc1c(C(=O)OC(C)C)sc2[nH]c(CN(C[C@H](C)O)C3CCCCC3)nc(=O)c12 ZINC000036207445 571317317 /nfs/dbraw/zinc/31/73/17/571317317.db2.gz UHFGGSAJTUXJRS-ZDUSSCGKSA-N 0 1 421.563 3.374 50 0 HGAAMN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)c(OC)c1 ZINC000005099579 132301185 /nfs/dbraw/zinc/30/11/85/132301185.db2.gz IYCOGRBRAOQZIG-UHFFFAOYSA-N 0 1 416.499 3.194 50 0 HGAAMN CN1CCN(c2ccc(NC(=O)c3cccc(I)c3)cc2)CC1 ZINC000006287897 132310124 /nfs/dbraw/zinc/31/01/24/132310124.db2.gz VDGFNQKZLFBISB-UHFFFAOYSA-N 0 1 421.282 3.295 50 0 HGAAMN COc1ccc([C@@H](CNC(=O)N2CCN(c3ccccc3O)CC2)N2CCCC2)cc1 ZINC000008160278 132328096 /nfs/dbraw/zinc/32/80/96/132328096.db2.gz DLWJYTBHZSUCGK-JOCHJYFZSA-N 0 1 424.545 3.070 50 0 HGAAMN O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000009059686 132335256 /nfs/dbraw/zinc/33/52/56/132335256.db2.gz MJFUBQKDHUVIEM-CQSZACIVSA-N 0 1 423.908 3.063 50 0 HGAAMN COc1ccc2c(c1)CCc1c(C(=O)N3CCN(c4ccccc4F)CC3)n[nH]c1-2 ZINC000009728481 132343093 /nfs/dbraw/zinc/34/30/93/132343093.db2.gz YRYIHHVPVHBLGM-UHFFFAOYSA-N 0 1 406.461 3.285 50 0 HGAAMN CCN1CCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)CC1 ZINC000020600100 521686827 /nfs/dbraw/zinc/68/68/27/521686827.db2.gz HEMQWVVFKAWREE-UHFFFAOYSA-N 0 1 419.573 3.095 50 0 HGAAMN CN(C)[C@H](CNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2)c1cccc(F)c1 ZINC000032905792 522079495 /nfs/dbraw/zinc/07/94/95/522079495.db2.gz QMSKBUFPPKUFPX-GOSISDBHSA-N 0 1 410.449 3.020 50 0 HGAAMN COc1cc(OC)c(NC(=O)CSc2nc(=O)c3sccc3[nH]2)cc1Cl ZINC000044842079 522801190 /nfs/dbraw/zinc/80/11/90/522801190.db2.gz IXSZIOUOXPSGGB-UHFFFAOYSA-N 0 1 411.892 3.386 50 0 HGAAMN COCCN1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2F)CC1 ZINC000020535840 523856935 /nfs/dbraw/zinc/85/69/35/523856935.db2.gz ARABKLKCTWKKPU-UHFFFAOYSA-N 0 1 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CCOC(=O)C1CCN([C@H](c2cccs2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697540 557784248 /nfs/dbraw/zinc/78/42/48/557784248.db2.gz ZCIUTGBITYEVIZ-LJQANCHMSA-N 0 1 404.532 3.308 50 0 HGAAMN COc1cccc(C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nn[nH]n2)c1OC ZINC000008952528 557816180 /nfs/dbraw/zinc/81/61/80/557816180.db2.gz ILHBMHYHVSHZRJ-CQSZACIVSA-N 0 1 421.379 3.201 50 0 HGAAMN CC[C@]1(C)Oc2ccc(NS(=O)(=O)c3cc4oc(=O)n(C)c4cc3Cl)cc2O1 ZINC000008973610 557817067 /nfs/dbraw/zinc/81/70/67/557817067.db2.gz FQWUSWDBTHUJEA-GOSISDBHSA-N 0 1 424.862 3.483 50 0 HGAAMN O=C(CN1CCN(CCc2ccccc2)CC1)Nc1ccccc1Br ZINC000022915980 558259467 /nfs/dbraw/zinc/25/94/67/558259467.db2.gz CXDZJQYFDDJJMV-UHFFFAOYSA-N 0 1 402.336 3.248 50 0 HGAAMN COc1ccc(OCc2cc(C(=O)N(C)[C@H](C)c3ccncn3)[nH]n2)c(Cl)c1 ZINC000011820281 558283805 /nfs/dbraw/zinc/28/38/05/558283805.db2.gz XCINSJHQOHGQAJ-GFCCVEGCSA-N 0 1 401.854 3.274 50 0 HGAAMN COc1cc(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)cc(OC)c1 ZINC000019851862 558295630 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FKCWRXQHFQSHKJ-PZJWPPBQSA-N 0 1 402.406 3.150 50 0 HGAAMN Cn1c(=O)c2ccc(C(=O)NCc3cc(F)ccc3Br)cc2[nH]c1=S ZINC000103687160 560843834 /nfs/dbraw/zinc/84/38/34/560843834.db2.gz HWSFWKWIJZXIMP-UHFFFAOYSA-N 0 1 422.279 3.054 50 0 HGAAMN O=C(c1cc(-c2cccc3ccccc32)[nH]n1)N1CCN(C(=O)c2ccco2)CC1 ZINC000051315828 560856169 /nfs/dbraw/zinc/85/61/69/560856169.db2.gz AGYFWDMUDGNDAN-UHFFFAOYSA-N 0 1 400.438 3.421 50 0 HGAAMN COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000105705711 560876883 /nfs/dbraw/zinc/87/68/83/560876883.db2.gz GBTODMZNICNMTQ-IAGOWNOFSA-N 0 1 423.517 3.155 50 0 HGAAMN COc1cccc(C(=O)NC2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)c1 ZINC000046789713 560878240 /nfs/dbraw/zinc/87/82/40/560878240.db2.gz VEZZWISKPCSRCI-UHFFFAOYSA-N 0 1 404.470 3.120 50 0 HGAAMN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000102469758 568418087 /nfs/dbraw/zinc/41/80/87/568418087.db2.gz NSFVCQRQGUFABE-RCCFBDPRSA-N 0 1 407.580 3.084 50 0 HGAAMN CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3[nH]nc4ccccc43)CC2)cc1 ZINC000012235341 568455039 /nfs/dbraw/zinc/45/50/39/568455039.db2.gz FRQYIEPFBCJYET-UHFFFAOYSA-N 0 1 405.458 3.012 50 0 HGAAMN FC(F)(F)c1ccc(-c2noc(CN3CCC[C@H](CN4CCOCC4)C3)n2)cc1 ZINC000006678571 568457295 /nfs/dbraw/zinc/45/72/95/568457295.db2.gz VFQGZIAZHIRPPQ-OAHLLOKOSA-N 0 1 410.440 3.300 50 0 HGAAMN C[NH+](C)[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccco1 ZINC000033024261 568510440 /nfs/dbraw/zinc/51/04/40/568510440.db2.gz PMKITWPSEALRFT-MRXNPFEDSA-N 0 1 419.528 3.175 50 0 HGAAMN Cc1cnn(-c2ccc(C(N)=O)cc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000095460452 568620232 /nfs/dbraw/zinc/62/02/32/568620232.db2.gz GMMMKDNYKMHMJH-UHFFFAOYSA-N 0 1 424.404 3.099 50 0 HGAAMN CCCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccccc3OC)ccc21 ZINC000020677544 568639750 /nfs/dbraw/zinc/63/97/50/568639750.db2.gz QNXOFJLNTKNWPP-UHFFFAOYSA-N 0 1 421.545 3.455 50 0 HGAAMN COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(OC)cc2)c1 ZINC000020762229 568642678 /nfs/dbraw/zinc/64/26/78/568642678.db2.gz BEVBPEXBIOTIFH-HXUWFJFHSA-N 0 1 406.442 3.385 50 0 biogenic HGAAMN CCCN1CCN(C(=O)c2cn(-c3cccc(OC)c3)c(=O)c3ccccc23)CC1 ZINC000020904514 568650566 /nfs/dbraw/zinc/65/05/66/568650566.db2.gz IGLVWKHDKJJDTQ-UHFFFAOYSA-N 0 1 405.498 3.167 50 0 HGAAMN O=C(CCCCc1cn[nH]n1)NCc1cc(Br)ccc1OC(F)F ZINC000096012373 568684864 /nfs/dbraw/zinc/68/48/64/568684864.db2.gz WDVMRARWUVBWMC-UHFFFAOYSA-N 0 1 403.227 3.198 50 0 HGAAMN O=S(=O)(NCC1CCN(Cc2ccsc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000096025841 568686454 /nfs/dbraw/zinc/68/64/54/568686454.db2.gz WGCRRTVECYMLPJ-UHFFFAOYSA-N 0 1 422.572 3.100 50 0 HGAAMN COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c(O)nc2ccc(Cl)cn2c1=O ZINC000096117785 568697334 /nfs/dbraw/zinc/69/73/34/568697334.db2.gz DKYMXKWLLZRUCP-HNNXBMFYSA-N 0 1 409.829 3.297 50 0 HGAAMN COc1ccc([C@@H](CN2CCN(C)CC2)NC(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC000096315837 568725782 /nfs/dbraw/zinc/72/57/82/568725782.db2.gz SVYKKMVDIZSBGJ-KFRSGLOMSA-N 0 1 413.949 3.467 50 0 HGAAMN O=C(CCC1=Nc2ccccc2S(=O)(=O)N1)Nc1ccc(Br)cc1 ZINC000021661317 568736142 /nfs/dbraw/zinc/73/61/42/568736142.db2.gz ZYIPFAOGPAFWJU-UHFFFAOYSA-N 0 1 408.277 3.190 50 0 HGAAMN Fc1ccccc1Nc1nc2nonc2nc1N1CCN(Cc2ccccc2)CC1 ZINC000055364295 568772378 /nfs/dbraw/zinc/77/23/78/568772378.db2.gz FVHYRFJQYXPFAZ-UHFFFAOYSA-N 0 1 405.437 3.218 50 0 HGAAMN Cc1ccc(CN2CCCN(C(=O)c3ccc(C)c(NS(C)(=O)=O)c3)CC2)cc1 ZINC000029092288 568819138 /nfs/dbraw/zinc/81/91/38/568819138.db2.gz KWAJPYSZAYQVIT-UHFFFAOYSA-N 0 1 415.559 3.023 50 0 HGAAMN O=C(Nc1ccccc1O)C1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 ZINC000057289827 568825841 /nfs/dbraw/zinc/82/58/41/568825841.db2.gz YLHZQUDGBCWUFU-JOCHJYFZSA-N 0 1 407.514 3.406 50 0 HGAAMN COC(=O)C1C(CN2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000057414192 568833363 /nfs/dbraw/zinc/83/33/63/568833363.db2.gz USYQTEPNQGYTFN-QHCPKHFHSA-N 0 1 419.525 3.422 50 0 HGAAMN COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)n[nH]2)c(OC)c1 ZINC000057477165 568839501 /nfs/dbraw/zinc/83/95/01/568839501.db2.gz HWGZZDIBJXESMI-UHFFFAOYSA-N 0 1 410.449 3.195 50 0 HGAAMN CCOC(=O)/C(=C\c1c(C)onc1-c1ccccc1Cl)CN1CCN(C)CC1 ZINC000230169355 568853607 /nfs/dbraw/zinc/85/36/07/568853607.db2.gz CKLFUIAYIPVGTP-SSZFMOIBSA-N 0 1 403.910 3.497 50 0 HGAAMN CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)C(C)(C)C)c1 ZINC000012560838 568858146 /nfs/dbraw/zinc/85/81/46/568858146.db2.gz YYDYHDWSOQZSDZ-UHFFFAOYSA-N 0 1 417.483 3.462 50 0 HGAAMN CCOc1cc2c(cc1NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1)O[C@@H](C)C2 ZINC000012560918 568858375 /nfs/dbraw/zinc/85/83/75/568858375.db2.gz IHKNYGQNQLOQDZ-LBPRGKRZSA-N 0 1 420.487 3.177 50 0 HGAAMN CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23c2ccccc2NC3=O)cc1 ZINC000057992084 568873034 /nfs/dbraw/zinc/87/30/34/568873034.db2.gz RKQZVYFIUMOCFC-KDLAUNOPSA-N 0 1 419.481 3.134 50 0 biogenic HGAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2cccnc2)ccc1C ZINC000015434434 568885925 /nfs/dbraw/zinc/88/59/25/568885925.db2.gz IKNDPYJXHREXPQ-UHFFFAOYSA-N 0 1 411.483 3.129 50 0 HGAAMN Cc1ccc2c(c1)C(=O)N(CCC(=O)Nc1cccc(CN3CCSCC3)c1)C2=O ZINC000058114090 568887895 /nfs/dbraw/zinc/88/78/95/568887895.db2.gz QWUNSRSHVGKGBS-UHFFFAOYSA-N 0 1 423.538 3.169 50 0 HGAAMN O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000003504277 568910692 /nfs/dbraw/zinc/91/06/92/568910692.db2.gz JPLQYUUFHCUUDC-DLBZAZTESA-N 0 1 401.532 3.289 50 0 HGAAMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C(=O)NC1CCCC1 ZINC000016623028 568927983 /nfs/dbraw/zinc/92/79/83/568927983.db2.gz PGSNUDYUOOKNLG-UHFFFAOYSA-N 0 1 409.895 3.217 50 0 HGAAMN CCOC(=O)c1csc(N2[NH2+]C(C=Cc3ccco3)=C[C@]2([O-])C(F)(F)F)n1 ZINC000001411801 568931386 /nfs/dbraw/zinc/93/13/86/568931386.db2.gz JZHRPROKUYABGS-NFAHFFEMSA-N 0 1 401.366 3.443 50 0 HGAAMN COc1cccc([C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCCC2)c1 ZINC000012789055 568960716 /nfs/dbraw/zinc/96/07/16/568960716.db2.gz XANMSWZUNXRGOP-NZQKXSOJSA-N 0 1 421.541 3.310 50 0 HGAAMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000015680725 568967539 /nfs/dbraw/zinc/96/75/39/568967539.db2.gz WRLWZVJMPVVYAZ-UHFFFAOYSA-N 0 1 400.891 3.390 50 0 HGAAMN CCn1c(C)cc(O)c([C@H](c2ccccc2)N2CCN(c3ccccn3)CC2)c1=O ZINC000038545817 568999501 /nfs/dbraw/zinc/99/95/01/568999501.db2.gz KAICYADTURPSCR-QHCPKHFHSA-N 0 1 404.514 3.189 50 0 HGAAMN COc1ccc(CN2CCN(Cc3ccc(NC(C)=O)cc3)C[C@H]2CCO)cc1C ZINC000104405980 569008585 /nfs/dbraw/zinc/00/85/85/569008585.db2.gz ZNQBMCRUPKJFPQ-HSZRJFAPSA-N 0 1 411.546 3.031 50 0 HGAAMN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)cc1 ZINC000006144260 569014454 /nfs/dbraw/zinc/01/44/54/569014454.db2.gz HRQSEAGYSZHRRG-UHFFFAOYSA-N 0 1 420.494 3.371 50 0 aggregator HGAAMN CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)n[nH]2)cc1 ZINC000006154691 569015286 /nfs/dbraw/zinc/01/52/86/569015286.db2.gz XRJXNCYGGFLLRS-UHFFFAOYSA-N 0 1 412.471 3.388 50 0 HGAAMN C[C@H](NCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000012904914 569021164 /nfs/dbraw/zinc/02/11/64/569021164.db2.gz NYUTYECZKXFKIT-JTSKRJEESA-N 0 1 414.571 3.449 50 0 HGAAMN COc1cccc([C@H](CNC(=O)N2CCc3cc(OC)c(OC)cc3C2)N(C)C)c1 ZINC000053539897 569031405 /nfs/dbraw/zinc/03/14/05/569031405.db2.gz UTGDQGPVGQATPM-FQEVSTJZSA-N 0 1 413.518 3.083 50 0 HGAAMN O=C(c1cc(-c2ccc3c(c2)OCO3)[nH]n1)N1CC[C@H](Oc2ccncc2Cl)C1 ZINC000575611488 569032418 /nfs/dbraw/zinc/03/24/18/569032418.db2.gz YWEKKFRYCYVMGW-ZDUSSCGKSA-N 0 1 412.833 3.147 50 0 HGAAMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 ZINC000575615625 569036318 /nfs/dbraw/zinc/03/63/18/569036318.db2.gz FFZRNSVNCBAIQX-CQSZACIVSA-N 0 1 405.483 3.325 50 0 HGAAMN Cc1ccc(CN2CCCN(C(=O)[C@H](C)NC(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000040086997 569048079 /nfs/dbraw/zinc/04/80/79/569048079.db2.gz KHAYMRJBLBCRSE-ARKBFRDHSA-N 0 1 405.542 3.247 50 0 HGAAMN COc1ccccc1-c1coc2c3c(cc(=O)c-2c1O)OC(=O)C[C@@H]3c1cnn(C)c1 ZINC000524729415 569051523 /nfs/dbraw/zinc/05/15/23/569051523.db2.gz SRQOOPJNGAIMIA-CQSZACIVSA-N 0 1 418.405 3.349 50 0 biogenic HGAAMN C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000241124150 569054725 /nfs/dbraw/zinc/05/47/25/569054725.db2.gz JFZHDBFDNUFDAW-OEWRPIJISA-N 0 1 414.571 3.319 50 0 HGAAMN O=C(Nc1nc(SCc2ccc(Cl)cc2)n[nH]1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000006648516 569080989 /nfs/dbraw/zinc/08/09/89/569080989.db2.gz RPFLHAOLGQAYAB-HNNXBMFYSA-N 0 1 414.874 3.471 50 0 HGAAMN COc1ccc(NS(=O)(=O)c2c(C)nc3sc4ccccc4n3c2=O)cc1 ZINC000006784724 569121260 /nfs/dbraw/zinc/12/12/60/569121260.db2.gz HFDUDFBMHFLOSI-UHFFFAOYSA-N 0 1 401.469 3.027 50 0 HGAAMN Cc1cccc(Cc2nc(CCNS(=O)(=O)c3ccc(C)c(Cl)c3)n[nH]2)c1 ZINC000064969807 569138565 /nfs/dbraw/zinc/13/85/65/569138565.db2.gz QUWWDYZGAJNFPL-UHFFFAOYSA-N 0 1 404.923 3.187 50 0 HGAAMN COc1ccc(-c2nnc3sc(-c4[nH]ncc4Br)nn32)cc1OC ZINC000036358795 569150276 /nfs/dbraw/zinc/15/02/76/569150276.db2.gz NHCFJWLZPZVODV-UHFFFAOYSA-N 0 1 407.253 3.023 50 0 HGAAMN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 ZINC000006887762 569171435 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415.486 3.130 50 0 HGAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCOC)cc1OC ZINC000006752802 569111328 /nfs/dbraw/zinc/11/13/28/569111328.db2.gz DGZHMSSCMBVOAT-JOCHJYFZSA-N 0 1 423.469 3.381 50 0 HGAAMN CC(C)(C)c1ccc(S(=O)(=O)NCCc2nnc(-c3ccc(F)cc3)[nH]2)cc1 ZINC000064969571 569138125 /nfs/dbraw/zinc/13/81/25/569138125.db2.gz RHKURMDDQGQKMR-UHFFFAOYSA-N 0 1 402.495 3.429 50 0 HGAAMN Cc1ccc(Cc2nc(CCNS(=O)(=O)c3ccccc3C(F)(F)F)n[nH]2)cc1 ZINC000064969626 569138431 /nfs/dbraw/zinc/13/84/31/569138431.db2.gz ZYVSNDZRMCVDQU-UHFFFAOYSA-N 0 1 424.448 3.244 50 0 HGAAMN Cc1cccc(Cc2nc(CCNS(=O)(=O)c3cccc(Cl)c3C)n[nH]2)c1 ZINC000064969893 569138561 /nfs/dbraw/zinc/13/85/61/569138561.db2.gz LCTHREOQTPXFLT-UHFFFAOYSA-N 0 1 404.923 3.187 50 0 HGAAMN Cc1c(Cl)cccc1S(=O)(=O)NCCc1n[nH]c(Cc2cccc(F)c2)n1 ZINC000064969794 569138642 /nfs/dbraw/zinc/13/86/42/569138642.db2.gz NSPQNTYJCJHEOV-UHFFFAOYSA-N 0 1 408.886 3.017 50 0 HGAAMN Cn1c2cc(Cl)c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2n(C)c1=O ZINC000064976643 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COc1ccc(F)cc1CN1CCN(C(=O)c2cc(-c3ccccc3OC)[nH]n2)CC1 ZINC000013366662 569412315 /nfs/dbraw/zinc/41/23/15/569412315.db2.gz FIDAYRUZCYOIAV-UHFFFAOYSA-N 0 1 424.476 3.191 50 0 HGAAMN COc1cccc(-c2cc(C(=O)N3CCN(CCOc4ccc(C)cc4)CC3)n[nH]2)c1 ZINC000013366677 569412394 /nfs/dbraw/zinc/41/23/94/569412394.db2.gz OSTXKYAEBQNKEC-UHFFFAOYSA-N 0 1 420.513 3.231 50 0 HGAAMN C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1 ZINC000078825117 569420771 /nfs/dbraw/zinc/42/07/71/569420771.db2.gz FEZZLICWDVZVQH-INIZCTEOSA-N 0 1 410.493 3.394 50 0 HGAAMN CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(OC)c(Cl)c3)[n-]c(=O)c2C1 ZINC000067291746 571068364 /nfs/dbraw/zinc/06/83/64/571068364.db2.gz QYFQQKUMBLEWCC-UHFFFAOYSA-N 0 1 422.938 3.343 50 0 HGAAMN CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(OC)c(Cl)c3)[n-]c(=O)c2C1 ZINC000067291746 571068366 /nfs/dbraw/zinc/06/83/66/571068366.db2.gz QYFQQKUMBLEWCC-UHFFFAOYSA-N 0 1 422.938 3.343 50 0 HGAAMN CCN1CCN(c2ccccc2NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000040024685 571140002 /nfs/dbraw/zinc/14/00/02/571140002.db2.gz JHWMHZFSSALMGJ-GOSISDBHSA-N 0 1 416.566 3.414 50 0 HGAAMN COc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCCCCC2)cc1 ZINC000008892900 571142706 /nfs/dbraw/zinc/14/27/06/571142706.db2.gz QJSRPIMQHRMRPF-LJQANCHMSA-N 0 1 401.532 3.429 50 0 HGAAMN COc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccsc1)N1CCCCCC1 ZINC000008893647 571142939 /nfs/dbraw/zinc/14/29/39/571142939.db2.gz JCXPRCPIRDOSHC-LJQANCHMSA-N 0 1 415.559 3.106 50 0 HGAAMN O=S(=O)(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)c2ncccc12 ZINC000040152939 571200574 /nfs/dbraw/zinc/20/05/74/571200574.db2.gz LWDOPPKXPNGNCD-INIZCTEOSA-N 0 1 401.919 3.441 50 0 HGAAMN COc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3ccccc3OC)c2)cc1 ZINC000009152003 571230758 /nfs/dbraw/zinc/23/07/58/571230758.db2.gz SKOGWELLZYVOSQ-UHFFFAOYSA-N 0 1 413.455 3.152 50 0 HGAAMN CCOc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)cc1 ZINC000009490131 571262592 /nfs/dbraw/zinc/26/25/92/571262592.db2.gz HCRLQXPIYZEFIE-UHFFFAOYSA-N 0 1 421.482 3.238 50 0 HGAAMN CC(=O)c1cccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCC2)c1 ZINC000009685064 571279732 /nfs/dbraw/zinc/27/97/32/571279732.db2.gz PQLBTUIVZBSHMF-UHFFFAOYSA-N 0 1 417.531 3.271 50 0 HGAAMN O=C(Nc1ccc2[nH]nnc2c1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 ZINC000077099349 571311019 /nfs/dbraw/zinc/31/10/19/571311019.db2.gz MGRIDQUULXHWLU-UHFFFAOYSA-N 0 1 413.485 3.459 50 0 HGAAMN COc1ccccc1NC(=O)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1 ZINC000077200569 571313014 /nfs/dbraw/zinc/31/30/14/571313014.db2.gz VCTFHFOVJYLRQW-UHFFFAOYSA-N 0 1 418.501 3.451 50 0 HGAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000004711703 132285278 /nfs/dbraw/zinc/28/52/78/132285278.db2.gz AWXGLLJLHXMSIQ-UHFFFAOYSA-N 0 1 415.921 3.450 50 0 HGAAMN CCOc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(CC)CC2)c1 ZINC000004749095 132287372 /nfs/dbraw/zinc/28/73/72/132287372.db2.gz ZAXAJRRCVLLZRO-UHFFFAOYSA-N 0 1 411.502 3.266 50 0 HGAAMN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CCCCCC1 ZINC000006910637 132320427 /nfs/dbraw/zinc/32/04/27/132320427.db2.gz 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COc1ccc(CCc2n[nH]c(NC(=O)c3cc4ccccc4n3C)n2)cc1OC ZINC000079495099 569432775 /nfs/dbraw/zinc/43/27/75/569432775.db2.gz SQGGTEQMSVBDMJ-UHFFFAOYSA-N 0 1 405.458 3.351 50 0 HGAAMN CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286937 571065142 /nfs/dbraw/zinc/06/51/42/571065142.db2.gz FWZBATGFQPOQQE-IBGZPJMESA-N 0 1 403.548 3.456 50 0 HGAAMN CCOC(=O)C1C(CN2CCCCCC2)=NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286937 571065145 /nfs/dbraw/zinc/06/51/45/571065145.db2.gz FWZBATGFQPOQQE-IBGZPJMESA-N 0 1 403.548 3.456 50 0 HGAAMN CCC[N@@H+]1CCc2nc(SCC(=O)N(C)c3cccc(Cl)c3)[n-]c(=O)c2C1 ZINC000067291897 571067999 /nfs/dbraw/zinc/06/79/99/571067999.db2.gz KEIGOVJYTQSGEA-UHFFFAOYSA-N 0 1 406.939 3.359 50 0 HGAAMN CCC[N@H+]1CCc2nc(SCC(=O)N(C)c3cccc(Cl)c3)[n-]c(=O)c2C1 ZINC000067291897 571068006 /nfs/dbraw/zinc/06/80/06/571068006.db2.gz KEIGOVJYTQSGEA-UHFFFAOYSA-N 0 1 406.939 3.359 50 0 HGAAMN Nc1cc(N)nc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)n1 ZINC000008746943 571111196 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/nfs/dbraw/zinc/81/61/60/557816160.db2.gz ILHBMHYHVSHZRJ-AWEZNQCLSA-N 0 1 421.379 3.201 50 0 HGAAMN COC(=O)c1ccc2c(c1)nc(SCc1ccccc1)n(CCc1cnc[nH]1)c2=O ZINC000009972240 557852813 /nfs/dbraw/zinc/85/28/13/557852813.db2.gz FCVJBGXCGGAIJJ-UHFFFAOYSA-N 0 1 420.494 3.441 50 0 HGAAMN COc1cc(CN2CCN(Cc3c[nH]c4ccccc34)C[C@@H]2CCO)cc(OC)c1 ZINC000019837810 558293118 /nfs/dbraw/zinc/29/31/18/558293118.db2.gz SGULMEIZOAKGCK-FQEVSTJZSA-N 0 1 409.530 3.254 50 0 HGAAMN Cc1ccc(N2C(=O)c3ccccc3/C(=C\NCCCN3CCOCC3)C2=O)cc1C ZINC000019881308 558301068 /nfs/dbraw/zinc/30/10/68/558301068.db2.gz UTMCCGOUCKJNQE-HAVVHWLPSA-N 0 1 419.525 3.143 50 0 HGAAMN OCCN1CCN(c2nc3ccc(Br)cc3c(-c3ccccc3)n2)CC1 ZINC000020057819 558329001 /nfs/dbraw/zinc/32/90/01/558329001.db2.gz SHRZOXBFQGZKAE-UHFFFAOYSA-N 0 1 413.319 3.174 50 0 HGAAMN Cc1ccccc1CN1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1CCO ZINC000020203021 558346048 /nfs/dbraw/zinc/34/60/48/558346048.db2.gz NOCNTCCVEKQEMY-DEOSSOPVSA-N 0 1 408.521 3.389 50 0 HGAAMN O=C(CCC1CCN(C(=O)c2cc(-c3ccsc3)[nH]n2)CC1)NCc1cccnc1 ZINC000012193259 558348421 /nfs/dbraw/zinc/34/84/21/558348421.db2.gz VJHGSQFYCILJDH-UHFFFAOYSA-N 0 1 423.542 3.482 50 0 HGAAMN COc1cccc(OCc2cc(C(=O)N(C)Cc3c(C)nc4ccccn43)[nH]n2)c1 ZINC000012306153 558374991 /nfs/dbraw/zinc/37/49/91/558374991.db2.gz GBGAJFSGSIFVFP-UHFFFAOYSA-N 0 1 405.458 3.226 50 0 HGAAMN CCc1[nH]nc(C(=O)N(CCOC)CC2CCN(Cc3ccccc3F)CC2)c1C ZINC000012306319 558375315 /nfs/dbraw/zinc/37/53/15/558375315.db2.gz PJVUERJPTAWMAW-UHFFFAOYSA-N 0 1 416.541 3.420 50 0 HGAAMN O=C(NCc1ccccn1)c1ccc(OC2CCN(Cc3ccncc3)CC2)cc1 ZINC000012308379 558376758 /nfs/dbraw/zinc/37/67/58/558376758.db2.gz JJWYADLMTYBYSR-UHFFFAOYSA-N 0 1 402.498 3.450 50 0 HGAAMN Cc1nonc1C(=O)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012703398 558448491 /nfs/dbraw/zinc/44/84/91/558448491.db2.gz NVTSIEKROAPJAM-IBGZPJMESA-N 0 1 416.497 3.051 50 0 HGAAMN CCn1cc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cn1 ZINC000012710060 558451881 /nfs/dbraw/zinc/45/18/81/558451881.db2.gz ZYMRASLJMQFPCN-UHFFFAOYSA-N 0 1 422.533 3.344 50 0 HGAAMN Cn1cccc1[C@@H]1CCCN1CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000012985720 558495270 /nfs/dbraw/zinc/49/52/70/558495270.db2.gz HEUBMONCRRCIKJ-NRFANRHFSA-N 0 1 418.944 3.299 50 0 HGAAMN COc1ccccc1[C@H](CNC(=O)c1cccc(N2CCCC2=O)c1)N1CCCC1 ZINC000022680283 558504233 /nfs/dbraw/zinc/50/42/33/558504233.db2.gz VYUZMRDGLPPQKP-NRFANRHFSA-N 0 1 407.514 3.389 50 0 HGAAMN C[C@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(F)c1 ZINC000013038723 558505712 /nfs/dbraw/zinc/50/57/12/558505712.db2.gz BEVSCLIXBHGXTD-INIZCTEOSA-N 0 1 419.522 3.290 50 0 HGAAMN C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(Cc3cccc4ccccc43)CC1)C2=O ZINC000022775542 558509392 /nfs/dbraw/zinc/50/93/92/558509392.db2.gz QKBZUDWIOHERIE-CLOONOSVSA-N 0 1 420.557 3.416 50 0 HGAAMN COc1ccccc1OCc1cc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)[nH]n1 ZINC000023129336 558536866 /nfs/dbraw/zinc/53/68/66/558536866.db2.gz PKRCOQYBAOGQHI-HXUWFJFHSA-N 0 1 406.486 3.126 50 0 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/nfs/dbraw/zinc/98/09/35/568980935.db2.gz WPGBMLRPNZXHKU-NSHDSACASA-N 0 1 408.501 3.327 50 0 HGAAMN COc1ccc([C@@H](CNC(=O)c2cccc(N3CCCC3=O)c2)N2CCCC2)cc1 ZINC000008327857 568992403 /nfs/dbraw/zinc/99/24/03/568992403.db2.gz GFOXYDJVTYHOEZ-JOCHJYFZSA-N 0 1 407.514 3.389 50 0 HGAAMN O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1ccc(Cl)cc1 ZINC000008381983 568996210 /nfs/dbraw/zinc/99/62/10/568996210.db2.gz WBWXKPMCTONNKG-INIZCTEOSA-N 0 1 412.902 3.104 50 0 HGAAMN COC(=O)C1C(CN2CC=C(c3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000067204821 569003341 /nfs/dbraw/zinc/00/33/41/569003341.db2.gz OFWBXOYDNXODDX-QFIPXVFZSA-N 0 1 421.472 3.396 50 0 HGAAMN Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000013673362 569004905 /nfs/dbraw/zinc/00/49/05/569004905.db2.gz MRKSUYNCFRMEDT-UHFFFAOYSA-N 0 1 401.532 3.012 50 0 HGAAMN COc1ccc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)c(OC)c1OC ZINC000104312234 569008237 /nfs/dbraw/zinc/00/82/37/569008237.db2.gz RBBCBZACMRZDIH-OAQYLSRUSA-N 0 1 414.546 3.090 50 0 HGAAMN C[C@@H]1c2cccn2CCN1CC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000012846283 569010136 /nfs/dbraw/zinc/01/01/36/569010136.db2.gz XWPWCXIVKYSEMX-HXUWFJFHSA-N 0 1 402.542 3.362 50 0 HGAAMN C[C@H](NCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000012904903 569021113 /nfs/dbraw/zinc/02/11/13/569021113.db2.gz NYUTYECZKXFKIT-HTAPYJJXSA-N 0 1 414.571 3.449 50 0 HGAAMN CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@]23c2ccccc2NC3=O)cc1 ZINC000016027017 569026600 /nfs/dbraw/zinc/02/66/00/569026600.db2.gz RKQZVYFIUMOCFC-YIGJPRQDSA-N 0 1 419.481 3.134 50 0 biogenic HGAAMN CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@]23c2ccccc2NC3=O)cc1 ZINC000016027012 569026629 /nfs/dbraw/zinc/02/66/29/569026629.db2.gz RKQZVYFIUMOCFC-WVMBUTMQSA-N 0 1 419.481 3.134 50 0 biogenic HGAAMN CCCCc1nc(CN2CCC3(CCC(=O)N([C@H]4CC[C@H](O)CC4)C3)CC2)c[nH]1 ZINC000243957155 569055126 /nfs/dbraw/zinc/05/51/26/569055126.db2.gz CGSPHKDNJOLLRK-MXVIHJGJSA-N 0 1 402.583 3.260 50 0 HGAAMN COc1ccc(-c2nc(C(=O)N3CCCC[C@@H](N4CCN(C)CC4)C3)cs2)cc1 ZINC000089382636 569058789 /nfs/dbraw/zinc/05/87/89/569058789.db2.gz BYPSTRTUEFIIRW-GOSISDBHSA-N 0 1 414.575 3.061 50 0 HGAAMN O=C(Nc1nc(SCc2ccc(Cl)cc2)n[nH]1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000006648512 569080914 /nfs/dbraw/zinc/08/09/14/569080914.db2.gz RPFLHAOLGQAYAB-OAHLLOKOSA-N 0 1 414.874 3.471 50 0 HGAAMN O=C(CN1CCC(Cc2ccccc2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000006653334 569082624 /nfs/dbraw/zinc/08/26/24/569082624.db2.gz ASYFZJKDHBJQKF-UHFFFAOYSA-N 0 1 409.486 3.061 50 0 HGAAMN CCCC[C@H](CC)CNC(=O)CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O ZINC000006656976 569083003 /nfs/dbraw/zinc/08/30/03/569083003.db2.gz IPNLFAHJMLYZTK-WMLDXEAASA-N 0 1 400.548 3.467 50 0 HGAAMN COc1cccc([C@@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2CCCO)c1 ZINC000006743249 569107981 /nfs/dbraw/zinc/10/79/81/569107981.db2.gz VRNJSSJQZKMSPB-JOCHJYFZSA-N 0 1 407.470 3.335 50 0 HGAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1Cl ZINC000064946750 569128575 /nfs/dbraw/zinc/12/85/75/569128575.db2.gz SDOULGSWEHIQNL-UHFFFAOYSA-N 0 1 414.892 3.071 50 0 HGAAMN O=S(=O)(NCCc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc2c(c1)CCCC2 ZINC000064969587 569138092 /nfs/dbraw/zinc/13/80/92/569138092.db2.gz GPSONWLITCNSCM-UHFFFAOYSA-N 0 1 400.479 3.011 50 0 HGAAMN Cc1ccc(Cc2nc(CCNS(=O)(=O)c3cccc(Cl)c3C)n[nH]2)cc1 ZINC000064969677 569138424 /nfs/dbraw/zinc/13/84/24/569138424.db2.gz GDPCHVIUNQPLPJ-UHFFFAOYSA-N 0 1 404.923 3.187 50 0 HGAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(C)=O)c1 ZINC000065020850 569154082 /nfs/dbraw/zinc/15/40/82/569154082.db2.gz OQOFEMXBZMKULF-UHFFFAOYSA-N 0 1 404.488 3.149 50 0 HGAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccnc(-c2cccs2)c1 ZINC000065063099 569166886 /nfs/dbraw/zinc/16/68/86/569166886.db2.gz SIRURMFQSXVVIA-UHFFFAOYSA-N 0 1 406.555 3.358 50 0 HGAAMN CCCN1CCN(C(=O)c2ccc(-c3ccc(N4CCSCC4)nc3)cc2)CC1 ZINC000065178346 569191816 /nfs/dbraw/zinc/19/18/16/569191816.db2.gz XRUDDMWNJMIEGQ-UHFFFAOYSA-N 0 1 410.587 3.470 50 0 HGAAMN COc1cccc(CN2CCc3c(cc(C(=O)N4CCN(CC(C)C)CC4)n3C)C2)c1 ZINC000065211002 569196194 /nfs/dbraw/zinc/19/61/94/569196194.db2.gz LWWSKCKTELTETD-UHFFFAOYSA-N 0 1 424.589 3.006 50 0 HGAAMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1ccc(N2CCCC2=O)cc1 ZINC000007183802 569227866 /nfs/dbraw/zinc/22/78/66/569227866.db2.gz PTRWAUNBSZRBIR-UHFFFAOYSA-N 0 1 411.462 3.468 50 0 HGAAMN COc1cccc([C@H](CNC(=O)CCc2nnc(-c3ccsc3)o2)N(C)C)c1 ZINC000037151262 569239120 /nfs/dbraw/zinc/23/91/20/569239120.db2.gz BVASWPVWHACQAF-KRWDZBQOSA-N 0 1 400.504 3.158 50 0 HGAAMN CC(C)(C)OC(=O)NCC1(CC(=O)N2CCN(C[C@H]3CCOC3)CC2)CCCCC1 ZINC000170596663 569241780 /nfs/dbraw/zinc/24/17/80/569241780.db2.gz QYTMJUAUHZFPRC-LJQANCHMSA-N 0 1 423.598 3.032 50 0 HGAAMN COc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1 ZINC000016954154 569268459 /nfs/dbraw/zinc/26/84/59/569268459.db2.gz PCHFDGFSLUSRIV-UHFFFAOYSA-N 0 1 413.455 3.152 50 0 HGAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2CCCN21 ZINC000253389856 569365009 /nfs/dbraw/zinc/36/50/09/569365009.db2.gz VLLJMMUWEYSLRX-GKAYAJSDSA-N 0 1 421.884 3.080 50 0 HGAAMN CCNC(=O)[C@H](C)OC(=O)c1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000007940672 569385662 /nfs/dbraw/zinc/38/56/62/569385662.db2.gz AFORKOKKJUJNDI-INIZCTEOSA-N 0 1 418.515 3.094 50 0 HGAAMN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000002385605 569391839 /nfs/dbraw/zinc/39/18/39/569391839.db2.gz HBHNHGKOBGIWJS-UHFFFAOYSA-N 0 1 407.470 3.350 50 0 HGAAMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)Nc2ccccc2OC)cc1 ZINC000013038629 569407674 /nfs/dbraw/zinc/40/76/74/569407674.db2.gz RBCOZARGHBJYNL-MRXNPFEDSA-N 0 1 419.547 3.015 50 0 HGAAMN O=C(c1[nH]nnc1Nc1ccccc1F)N1CCN(c2ccccc2Cl)CC1 ZINC000067284444 571063636 /nfs/dbraw/zinc/06/36/36/571063636.db2.gz GMJPCWZZJIOPGX-UHFFFAOYSA-N 0 1 400.845 3.303 50 0 HGAAMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000038729715 571074675 /nfs/dbraw/zinc/07/46/75/571074675.db2.gz FADNLASWJPWJBA-IAGOWNOFSA-N 0 1 424.501 3.365 50 0 HGAAMN COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCCCC[C@@H]43)C2=O)cc1 ZINC000008814925 571121243 /nfs/dbraw/zinc/12/12/43/571121243.db2.gz SYOSDGZFNGWYFR-HYBUGGRVSA-N 0 1 419.481 3.270 50 0 HGAAMN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c(OC)c1 ZINC000008840855 571123956 /nfs/dbraw/zinc/12/39/56/571123956.db2.gz DUHOJLFHDFKVGR-UHFFFAOYSA-N 0 1 418.515 3.440 50 0 HGAAMN CSc1ncc(Cl)c(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000040087458 571157907 /nfs/dbraw/zinc/15/79/07/571157907.db2.gz JOEWSSGDVQGQRG-OKILXGFUSA-N 0 1 420.966 3.391 50 0 HGAAMN COc1ccccc1-n1c(=O)c2cn[nH]c2nc1SCC(=O)Nc1ccc(C)cc1 ZINC000009490242 571262653 /nfs/dbraw/zinc/26/26/53/571262653.db2.gz AAACVYWXUOLONZ-UHFFFAOYSA-N 0 1 421.482 3.157 50 0 HGAAMN CCOc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1CN1CCCCCC1 ZINC000009622075 571274324 /nfs/dbraw/zinc/27/43/24/571274324.db2.gz BCKLLWWQVFYPFP-UHFFFAOYSA-N 0 1 413.518 3.270 50 0 HGAAMN CN(C)CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2c(cc(F)cc2F)s1 ZINC000010066367 571294705 /nfs/dbraw/zinc/29/47/05/571294705.db2.gz ZUEOQVRZCXWWBS-INIZCTEOSA-N 0 1 419.453 3.309 50 0 HGAAMN COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2cccc3ccccc32)N(C)C)c1 ZINC000010335642 571300779 /nfs/dbraw/zinc/30/07/79/571300779.db2.gz ZMTPGVAMZRYBAA-HXUWFJFHSA-N 0 1 414.527 3.438 50 0 HGAAMN CC(=O)N1CCc2cc([C@H](O)CN3CCN(c4cc(Cl)ccc4C)CC3)ccc21 ZINC000020287257 571314728 /nfs/dbraw/zinc/31/47/28/571314728.db2.gz FRRHGAGXDMRXQG-HSZRJFAPSA-N 0 1 413.949 3.413 50 0 HGAAMN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000002379702 132253633 /nfs/dbraw/zinc/25/36/33/132253633.db2.gz WHKGLZIMYBWGMR-UHFFFAOYSA-N 0 1 412.559 3.352 50 0 HGAAMN CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1cccc(C)c1 ZINC000002635980 132256132 /nfs/dbraw/zinc/25/61/32/132256132.db2.gz RMAHXGSUGKPYII-UHFFFAOYSA-N 0 1 420.531 3.430 50 0 HGAAMN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)c(OC)c1 ZINC000005099674 132301357 /nfs/dbraw/zinc/30/13/57/132301357.db2.gz FITRNLLGSLCLBC-UHFFFAOYSA-N 0 1 418.515 3.440 50 0 HGAAMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCN(c4ccccc4F)CC3)n2)cc1 ZINC000007341974 132323898 /nfs/dbraw/zinc/32/38/98/132323898.db2.gz WGBYELMJBXLBGW-UHFFFAOYSA-N 0 1 411.506 3.360 50 0 HGAAMN CCN1CCN(c2ncc3c(n2)CCN(Cc2cc(Br)cs2)C3)CC1 ZINC000008608697 132331416 /nfs/dbraw/zinc/33/14/16/132331416.db2.gz JQDFUUOQLZWLDG-UHFFFAOYSA-N 0 1 422.396 3.001 50 0 HGAAMN O=C(CSc1nc(-c2ccc(F)cc2)n[nH]1)N1CCN(c2ccc(F)cc2)CC1 ZINC000008617256 132331713 /nfs/dbraw/zinc/33/17/13/132331713.db2.gz YCXGWISBFOMUCT-UHFFFAOYSA-N 0 1 415.469 3.191 50 0 HGAAMN O=C(c1ccc(F)cc1Cl)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 ZINC000011697964 132350010 /nfs/dbraw/zinc/35/00/10/132350010.db2.gz OJKWVJJVDUVSNI-UHFFFAOYSA-N 0 1 412.856 3.370 50 0 HGAAMN CCc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)CC2=O)cc1 ZINC000012514850 132361344 /nfs/dbraw/zinc/36/13/44/132361344.db2.gz BNDSAOBMWZSDAU-HXUWFJFHSA-N 0 1 420.557 3.301 50 0 HGAAMN CCc1nn2c(ncc3c(=O)n(CCc4cnc[nH]4)ccc32)c1-c1ccc(F)cc1 ZINC000040396812 522712410 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/nfs/dbraw/zinc/67/89/98/558678998.db2.gz CJKASSTWKCDYRF-JOCHJYFZSA-N 0 1 415.965 3.441 50 0 HGAAMN Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2ccon2)C4)cc1 ZINC000014977866 558689904 /nfs/dbraw/zinc/68/99/04/558689904.db2.gz FRNJVYSHKWTOHU-MRXNPFEDSA-N 0 1 406.511 3.450 50 0 HGAAMN Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H](NCc2ccon2)C4)cc1 ZINC000014977863 558689927 /nfs/dbraw/zinc/68/99/27/558689927.db2.gz FRNJVYSHKWTOHU-INIZCTEOSA-N 0 1 406.511 3.450 50 0 HGAAMN CO[C@H](C(=O)Nc1ccnn1C1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC000015063761 558706448 /nfs/dbraw/zinc/70/64/48/558706448.db2.gz XZMHPGUWLUISGB-QFIPXVFZSA-N 0 1 405.502 3.441 50 0 HGAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000015996803 558765806 /nfs/dbraw/zinc/76/58/06/558765806.db2.gz VLLJMMUWEYSLRX-QPXQOZNCSA-N 0 1 421.884 3.080 50 0 HGAAMN Cc1cccc(CNC(=O)c2n[nH]c3c2CN(C(=O)Cc2cccc(C)c2)CC3)c1 ZINC000034797357 558857746 /nfs/dbraw/zinc/85/77/46/558857746.db2.gz QUTOWPIYWDERGG-UHFFFAOYSA-N 0 1 402.498 3.084 50 0 HGAAMN COc1ccc([C@H](CN2CCN(C)CC2)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000058182560 558910281 /nfs/dbraw/zinc/91/02/81/558910281.db2.gz SVYKKMVDIZSBGJ-GLOIGSRVSA-N 0 1 413.949 3.467 50 0 HGAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 ZINC000065362052 558972849 /nfs/dbraw/zinc/97/28/49/558972849.db2.gz OIMULHFEUKEMPR-UHFFFAOYSA-N 0 1 401.461 3.016 50 0 HGAAMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000023106614 559010144 /nfs/dbraw/zinc/01/01/44/559010144.db2.gz VYXCVHSELHOVII-CYBMUJFWSA-N 0 1 401.410 3.004 50 0 HGAAMN CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])C(C(C)=O)=NN3c2ccccc2Cl)cc1 ZINC000103132607 559154816 /nfs/dbraw/zinc/15/48/16/559154816.db2.gz BXUMKEUQRSWZDZ-MJGOQNOKSA-N 0 1 411.845 3.062 50 0 HGAAMN COC(=O)C[C@@H](c1c(O)nc2ccc(Cl)cn2c1=O)C1=Cc2ccccc2OC1 ZINC000205952672 559186776 /nfs/dbraw/zinc/18/67/76/559186776.db2.gz DGUZBSDOGWSWAT-OAHLLOKOSA-N 0 1 412.829 3.176 50 0 HGAAMN COc1ccc(NC(=O)CCN2CCN(C/C=C\c3ccccc3)CC2)c(OC)c1 ZINC000033421057 559190605 /nfs/dbraw/zinc/19/06/05/559190605.db2.gz XPZFRQSPGQZWCH-TWGQIWQCSA-N 0 1 409.530 3.363 50 0 HGAAMN COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000004949944 559214974 /nfs/dbraw/zinc/21/49/74/559214974.db2.gz VMCWRKDALFKBBK-SFHVURJKSA-N 0 1 407.470 3.389 50 0 HGAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000033712670 559233695 /nfs/dbraw/zinc/23/36/95/559233695.db2.gz WVCQVSWAKIRRIC-UGCAPWQASA-N 0 1 415.493 3.043 50 0 biogenic HGAAMN Cc1cc(C)n2nc(C(=O)Nc3nnc(SCc4ccc(F)cc4)s3)nc2n1 ZINC000002630646 560586413 /nfs/dbraw/zinc/58/64/13/560586413.db2.gz SQXMBUJGLQLXLH-UHFFFAOYSA-N 0 1 415.479 3.276 50 0 HGAAMN CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCCCCC3)c21 ZINC000005478060 560594945 /nfs/dbraw/zinc/59/49/45/560594945.db2.gz UGVZIHMOJURBBM-UHFFFAOYSA-N 0 1 401.507 3.487 50 0 HGAAMN COc1ccc([C@@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCCC2)cc1 ZINC000017911522 560730489 /nfs/dbraw/zinc/73/04/89/560730489.db2.gz 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CC(C)CNC(=O)[C@@H]1CCCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000048289563 568434991 /nfs/dbraw/zinc/43/49/91/568434991.db2.gz VVQLPMWCDDBMBL-GOSISDBHSA-N 0 1 424.570 3.407 50 0 HGAAMN CN(C)c1cccc(C(=O)NC2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)c1 ZINC000049406741 568449060 /nfs/dbraw/zinc/44/90/60/568449060.db2.gz CSBPRPSMCQYMTD-UHFFFAOYSA-N 0 1 417.513 3.177 50 0 HGAAMN COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000020760634 568457981 /nfs/dbraw/zinc/45/79/81/568457981.db2.gz HTMQNXKFVOHCKH-HXUWFJFHSA-N 0 1 420.425 3.105 50 0 biogenic HGAAMN COc1ccc(S(=O)(=O)NC[C@H](c2cn(C)c3ccccc23)N(C)C)cc1Cl ZINC000021696223 568466983 /nfs/dbraw/zinc/46/69/83/568466983.db2.gz ZBMCSVKVDWAAEL-LJQANCHMSA-N 0 1 421.950 3.422 50 0 HGAAMN O=C(c1ccc(O)c(Cl)c1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000022226913 568477182 /nfs/dbraw/zinc/47/71/82/568477182.db2.gz WMUNCTRUHBQQOO-UHFFFAOYSA-N 0 1 404.879 3.115 50 0 HGAAMN Cc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000095462009 568621302 /nfs/dbraw/zinc/62/13/02/568621302.db2.gz CTUDSMFXYRHWAV-UHFFFAOYSA-N 0 1 408.951 3.084 50 0 HGAAMN C[C@@H](C(=O)NCc1ccccc1)N1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1 ZINC000095466738 568624257 /nfs/dbraw/zinc/62/42/57/568624257.db2.gz PAWAALZOHNBUFM-INIZCTEOSA-N 0 1 404.514 3.151 50 0 HGAAMN Cc1ccc2c(=O)c(C(=O)N3CCC[C@@H](n4nccc4C(F)(F)F)C3)c[n-]c2[nH+]1 ZINC000095466770 568624320 /nfs/dbraw/zinc/62/43/20/568624320.db2.gz BFODEYMFFBGBGT-GFCCVEGCSA-N 0 1 405.380 3.336 50 0 HGAAMN CCC[C@H]1CN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CCN1CCOC ZINC000095993276 568678153 /nfs/dbraw/zinc/67/81/53/568678153.db2.gz VMOHIQYDZLSLFW-RTWAWAEBSA-N 0 1 416.610 3.453 50 0 HGAAMN O=C(NC1CC1)c1cc(N2CCN(CCOc3ccccc3)CC2)nc2ccccc21 ZINC000096009739 568683690 /nfs/dbraw/zinc/68/36/90/568683690.db2.gz XKXGBFYTJRNAIP-UHFFFAOYSA-N 0 1 416.525 3.328 50 0 HGAAMN CCCN1CCN(c2nnc(-n3cccc3C(=O)NCc3ccc(C)cc3)s2)CC1 ZINC000021535381 568711863 /nfs/dbraw/zinc/71/18/63/568711863.db2.gz HKBBJKFZKIKFFB-UHFFFAOYSA-N 0 1 424.574 3.099 50 0 HGAAMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H](CCSC)NC(=O)c2ccccc2)n[nH]1 ZINC000239653682 568729723 /nfs/dbraw/zinc/72/97/23/568729723.db2.gz BKTCMGUYQZQREL-OFQRWUPVSA-N 0 1 403.552 3.047 50 0 HGAAMN O=C(NCCCc1ccccc1)[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)[nH]n2)C1 ZINC000096324751 568734328 /nfs/dbraw/zinc/73/43/28/568734328.db2.gz VKNHOHHDZHUSQC-FQEVSTJZSA-N 0 1 417.513 3.073 50 0 HGAAMN CC(C)CN1CCN(C(=O)c2ccc3c(c2)CC(=O)N3Cc2cccc(F)c2)CC1 ZINC000096386279 568742615 /nfs/dbraw/zinc/74/26/15/568742615.db2.gz LLTBBZOVAMXLCN-UHFFFAOYSA-N 0 1 409.505 3.329 50 0 HGAAMN C[C@@H](NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(F)cc1 ZINC000015043760 568748388 /nfs/dbraw/zinc/74/83/88/568748388.db2.gz YHUZNBCTZHINTR-HZPDHXFCSA-N 0 1 413.493 3.448 50 0 HGAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 ZINC000000942416 568753522 /nfs/dbraw/zinc/75/35/22/568753522.db2.gz XGNQZJHAPLDZNJ-UHFFFAOYSA-N 0 1 400.435 3.286 50 0 HGAAMN CCOC(=O)[C@H](C)Nc1cc(OC)c(C(O)(C(F)(F)F)C(F)(F)F)cc1OC ZINC000096564387 568760762 /nfs/dbraw/zinc/76/07/62/568760762.db2.gz AXYNIRLDSIPCBM-QMMMGPOBSA-N 0 1 419.318 3.380 50 0 HGAAMN COc1ccc(OC[C@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000022573391 568769839 /nfs/dbraw/zinc/76/98/39/568769839.db2.gz YONNLLULYFWHBW-GOSISDBHSA-N 0 1 410.436 3.276 50 0 HGAAMN COc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1ccc(Br)cc1 ZINC000001165989 568775745 /nfs/dbraw/zinc/77/57/45/568775745.db2.gz DYWMUHUJXZYYSC-RIYZIHGNSA-N 0 1 403.232 3.217 50 0 HGAAMN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CNC[C@H]1CCCO1 ZINC000002636160 568792264 /nfs/dbraw/zinc/79/22/64/568792264.db2.gz HDXHCRZOCKMKHP-OAHLLOKOSA-N 0 1 406.479 3.438 50 0 HGAAMN O=C(NC[C@@H]1CCCO1)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000002971987 568831952 /nfs/dbraw/zinc/83/19/52/568831952.db2.gz OOFZCOFFHHWNQG-GPANFISMSA-N 0 1 401.532 3.161 50 0 HGAAMN CCOC(=O)C1C(CN(CC)Cc2ccccc2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414704 568833735 /nfs/dbraw/zinc/83/37/35/568833735.db2.gz JHIMZJADXKPJKZ-QFIPXVFZSA-N 0 1 423.513 3.388 50 0 HGAAMN COC(=O)C1C(CN2CC=C(c3ccccc3)CC2)=NC(=O)N[C@H]1c1cccs1 ZINC000057415914 568834106 /nfs/dbraw/zinc/83/41/06/568834106.db2.gz XATOQHAASDITIP-FQEVSTJZSA-N 0 1 409.511 3.318 50 0 HGAAMN CCOC(=O)C1C(CN(CC)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000057478329 568839726 /nfs/dbraw/zinc/83/97/26/568839726.db2.gz RUTTZCABZYUCRO-JOCHJYFZSA-N 0 1 423.513 3.388 50 0 HGAAMN C[C@@H]1CN(CCCNC(=O)N(C)Cc2csc(Br)c2)C[C@@H](C)O1 ZINC000057481382 568841481 /nfs/dbraw/zinc/84/14/81/568841481.db2.gz UUCDHYIKTKUAKP-CHWSQXEVSA-N 0 1 404.374 3.151 50 0 HGAAMN O=C(Nc1ccc(Cl)cc1F)[C@@H](Cc1cnc[nH]1)N1C(=O)c2ccccc2C1=O ZINC000012537809 568846140 /nfs/dbraw/zinc/84/61/40/568846140.db2.gz FYZWPXZITBNRCS-QGZVFWFLSA-N 0 1 412.808 3.048 50 0 HGAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC000012544923 568850095 /nfs/dbraw/zinc/85/00/95/568850095.db2.gz CTSYGHYHSPRNRU-NRFANRHFSA-N 0 1 424.478 3.438 50 0 HGAAMN Cc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(F)c(F)c3)CC2)c1 ZINC000030361160 568862025 /nfs/dbraw/zinc/86/20/25/568862025.db2.gz UNGWYQCNYKIZBI-UHFFFAOYSA-N 0 1 423.529 3.154 50 0 HGAAMN Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)C3CC[NH+](C)CC3)c2)c1 ZINC000003256374 568868518 /nfs/dbraw/zinc/86/85/18/568868518.db2.gz RSMVJYIYRGMWQP-UHFFFAOYSA-N 0 1 415.559 3.270 50 0 HGAAMN COc1ccccc1[C@H](CNC(=S)NCc1ccc2c(c1)OCO2)N1CCCC1 ZINC000003418079 568899233 /nfs/dbraw/zinc/89/92/33/568899233.db2.gz UMKUBUNQHQMFOK-SFHVURJKSA-N 0 1 413.543 3.225 50 0 HGAAMN COc1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 ZINC000003444588 568904330 /nfs/dbraw/zinc/90/43/30/568904330.db2.gz PVYFQJPDJAWXDZ-UHFFFAOYSA-N 0 1 415.500 3.095 50 0 HGAAMN CCC(CC)[C@H](CNC(=O)CCCNC(=O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000030941379 568904700 /nfs/dbraw/zinc/90/47/00/568904700.db2.gz IFVBNKNTAJHNQH-FQEVSTJZSA-N 0 1 423.985 3.103 50 0 HGAAMN C[C@H](CC(=O)NCCc1ccc(Cl)cc1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000004148394 568916630 /nfs/dbraw/zinc/91/66/30/568916630.db2.gz MQPQOMUYDCTQOD-AWEZNQCLSA-N 0 1 419.934 3.437 50 0 HGAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@H](c1cccc(Cl)c1)SCC(=O)N2 ZINC000031810924 568932482 /nfs/dbraw/zinc/93/24/82/568932482.db2.gz MQDJCLBEDARXFS-OAHLLOKOSA-N 0 1 411.878 3.275 50 0 HGAAMN COc1c(Br)cc(F)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000012752669 568941910 /nfs/dbraw/zinc/94/19/10/568941910.db2.gz WZWYGZGBEXHTCT-UHFFFAOYSA-N 0 1 418.240 3.169 50 0 HGAAMN Cc1nc(SC(F)F)[nH]c(=O)c1CCC(=O)N(C)CCOc1ccccc1F ZINC000012753574 568941923 /nfs/dbraw/zinc/94/19/23/568941923.db2.gz GPFDRYMAKNQTGN-UHFFFAOYSA-N 0 1 415.437 3.414 50 0 HGAAMN C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012764621 568947574 /nfs/dbraw/zinc/94/75/74/568947574.db2.gz WESLBIICXGVVAX-MRXNPFEDSA-N 0 1 413.493 3.229 50 0 HGAAMN Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n[nH]2)cc1C ZINC000015679345 568966283 /nfs/dbraw/zinc/96/62/83/568966283.db2.gz UQOWCKGTMDRKRH-UHFFFAOYSA-N 0 1 418.497 3.380 50 0 HGAAMN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccccc4F)CC3)n[nH]2)c(C)c1 ZINC000015680682 568967535 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/nfs/dbraw/zinc/28/70/35/571287035.db2.gz FYCBDDWXWFUJJE-UHFFFAOYSA-N 0 1 403.485 3.134 50 0 HGAAMN O=C(NCCN1CCC(c2cccs2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000077104299 571311696 /nfs/dbraw/zinc/31/16/96/571311696.db2.gz HBXMHEQBFIOYPL-UHFFFAOYSA-N 0 1 409.914 3.475 50 0 HGAAMN Cc1c(C(=O)OC(C)C)sc2[nH]c(CN(C[C@@H](C)O)C3CCCCC3)nc(=O)c12 ZINC000036207444 571317256 /nfs/dbraw/zinc/31/72/56/571317256.db2.gz UHFGGSAJTUXJRS-CYBMUJFWSA-N 0 1 421.563 3.374 50 0 HGAAMN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000002869455 132258841 /nfs/dbraw/zinc/25/88/41/132258841.db2.gz OETXCJCXMVXWBQ-UHFFFAOYSA-N 0 1 412.559 3.354 50 0 HGAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCO3)c1 ZINC000006778759 132315659 /nfs/dbraw/zinc/31/56/59/132315659.db2.gz TVZJVRWCPREVHR-UHFFFAOYSA-N 0 1 420.487 3.030 50 0 HGAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)[C@@H]3COc4ccccc4C3)CC2)c1 ZINC000008610347 132331565 /nfs/dbraw/zinc/33/15/65/132331565.db2.gz JPDZDJCKNNVWCI-QFIPXVFZSA-N 0 1 407.558 3.183 50 0 HGAAMN 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560859117 /nfs/dbraw/zinc/85/91/17/560859117.db2.gz RDOBANNLIZKTNV-ZWKOTPCHSA-N 0 1 406.885 3.482 50 0 HGAAMN CCN(CC)c1onc(-c2ccccc2)c1CN(C[C@@H](O)COC)C[C@@H]1CCCO1 ZINC000104996794 560859308 /nfs/dbraw/zinc/85/93/08/560859308.db2.gz DQQDVKPTKXHOGV-UXHICEINSA-N 0 1 417.550 3.176 50 0 HGAAMN Cc1ncsc1C(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000046777810 560878192 /nfs/dbraw/zinc/87/81/92/560878192.db2.gz YTNKAMLKLFLIDF-UHFFFAOYSA-N 0 1 412.481 3.412 50 0 HGAAMN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1C[C@H](C)C[C@@H](C)C1 ZINC000108929076 568420223 /nfs/dbraw/zinc/42/02/23/568420223.db2.gz WOVUWEXTIHITJF-KZNAEPCWSA-N 0 1 407.580 3.166 50 0 HGAAMN COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2OC)c1 ZINC000020761080 568457977 /nfs/dbraw/zinc/45/79/77/568457977.db2.gz JYFUZLNSYALOBA-HXUWFJFHSA-N 0 1 406.442 3.385 50 0 biogenic HGAAMN CC(C)(CN1CCN(Cc2ccccc2)CC1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000021487228 568463464 /nfs/dbraw/zinc/46/34/64/568463464.db2.gz LNFPVLUKRXBVRI-UHFFFAOYSA-N 0 1 421.994 3.215 50 0 HGAAMN COC(=O)C[C@@H](c1cccc(Cl)c1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O ZINC000604419404 568493156 /nfs/dbraw/zinc/49/31/56/568493156.db2.gz LUNCVIQUTVUTPH-KRWDZBQOSA-N 0 1 415.877 3.177 50 0 HGAAMN Cc1ccc(S(=O)(=O)N[C@H](CN2C[C@@H](CO)CC[C@@H]2C)c2ccccc2)cc1 ZINC000222057798 568513925 /nfs/dbraw/zinc/51/39/25/568513925.db2.gz DTNOJFNBTQNVPA-CNNODRBYSA-N 0 1 402.560 3.107 50 0 HGAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc12 ZINC000020114393 568589467 /nfs/dbraw/zinc/58/94/67/568589467.db2.gz AGIAQXNCZZGFLH-UHFFFAOYSA-N 0 1 404.470 3.276 50 0 HGAAMN CC1(C)CN(C(=O)CCNC(=O)c2ccc(F)cc2F)CCN1Cc1ccccc1 ZINC000095351031 568600926 /nfs/dbraw/zinc/60/09/26/568600926.db2.gz UQOYOEOKYFBYGE-UHFFFAOYSA-N 0 1 415.484 3.208 50 0 HGAAMN O=C(N[C@H](c1nn[nH]n1)c1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000040158564 568627103 /nfs/dbraw/zinc/62/71/03/568627103.db2.gz SQPCSQKQZONNFQ-IBGZPJMESA-N 0 1 404.474 3.238 50 0 HGAAMN O=C(c1cn(Cc2ccccc2)nn1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000095993302 568678161 /nfs/dbraw/zinc/67/81/61/568678161.db2.gz RDPYZIDDZFHFDS-LJQANCHMSA-N 0 1 413.485 3.131 50 0 HGAAMN CC(C)Cc1nc2ccc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cc2[nH]1 ZINC000096114078 568693689 /nfs/dbraw/zinc/69/36/89/568693689.db2.gz DVEFZBCEJKEDMX-SFHVURJKSA-N 0 1 419.485 3.231 50 0 biogenic HGAAMN COC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)s2)on1 ZINC000021540606 568713740 /nfs/dbraw/zinc/71/37/40/568713740.db2.gz ZXLJFRWAUGQFBL-UHFFFAOYSA-N 0 1 400.384 3.269 50 0 HGAAMN CCOC(=O)c1c(NC(=O)CN2CCN(CC)CC2)sc(C)c1-c1ccccc1 ZINC000021548825 568714026 /nfs/dbraw/zinc/71/40/26/568714026.db2.gz RYMJIBBCRFSQIA-UHFFFAOYSA-N 0 1 415.559 3.476 50 0 HGAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)n1 ZINC000000874972 568732941 /nfs/dbraw/zinc/73/29/41/568732941.db2.gz FKNZGFWECTWAOY-UHFFFAOYSA-N 0 1 400.435 3.286 50 0 HGAAMN CCOc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)cc1 ZINC000096324668 568734306 /nfs/dbraw/zinc/73/43/06/568734306.db2.gz YIYRYFVYVAUNBA-UHFFFAOYSA-N 0 1 419.485 3.361 50 0 HGAAMN CN(C)[C@@H](CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)c1ccsc1 ZINC000025328876 568763273 /nfs/dbraw/zinc/76/32/73/568763273.db2.gz YCUDPMPNNWOAER-IBGZPJMESA-N 0 1 410.543 3.217 50 0 HGAAMN COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)c(Cl)c1)C(C)C ZINC000096791777 568764756 /nfs/dbraw/zinc/76/47/56/568764756.db2.gz GOURJLVEOCLTSZ-RDJZCZTQSA-N 0 1 408.861 3.057 50 0 HGAAMN COc1ccc(CN(C)[C@@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1F ZINC000097165331 568769587 /nfs/dbraw/zinc/76/95/87/568769587.db2.gz UYRPIEQFMVTQOZ-INIZCTEOSA-N 0 1 422.522 3.048 50 0 HGAAMN COc1ccc(OC[C@@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000022573385 568769852 /nfs/dbraw/zinc/76/98/52/568769852.db2.gz YONNLLULYFWHBW-SFHVURJKSA-N 0 1 410.436 3.276 50 0 HGAAMN COC(=O)[C@@H]1C(=O)O[C@]2(C)C[N@H+](Cc3ccccc3)[C@@H](c3ccccc3OC)C[C@@H]12 ZINC000230055487 568805333 /nfs/dbraw/zinc/80/53/33/568805333.db2.gz HEUNBANUVDXSGE-YWQGAKJTSA-N 0 1 409.482 3.363 50 0 HGAAMN COC(=O)[C@@H]1C(=O)O[C@]2(C)CN(Cc3ccccc3)[C@@H](c3ccccc3OC)C[C@@H]12 ZINC000230055487 568805334 /nfs/dbraw/zinc/80/53/34/568805334.db2.gz HEUNBANUVDXSGE-YWQGAKJTSA-N 0 1 409.482 3.363 50 0 HGAAMN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@@H](C)c1ccccc1 ZINC000057318554 568826895 /nfs/dbraw/zinc/82/68/95/568826895.db2.gz XFKKXSUFTOUBAX-SFHVURJKSA-N 0 1 415.559 3.459 50 0 HGAAMN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@H](C)c1ccccc1 ZINC000057318555 568826919 /nfs/dbraw/zinc/82/69/19/568826919.db2.gz XFKKXSUFTOUBAX-GOSISDBHSA-N 0 1 415.559 3.459 50 0 HGAAMN CCOC(=O)C1C(CN(C)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000057415460 568834167 /nfs/dbraw/zinc/83/41/67/568834167.db2.gz QGQJEAGKNQMRNY-JOCHJYFZSA-N 0 1 423.513 3.388 50 0 HGAAMN C[N@@H+]1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c2n[n-]c(=S)n32)C1 ZINC000005981564 568834248 /nfs/dbraw/zinc/83/42/48/568834248.db2.gz AOHKOEKMBKEQMT-UHFFFAOYSA-N 0 1 403.920 3.399 50 0 HGAAMN C[N@H+]1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c2n[n-]c(=S)n32)C1 ZINC000005981564 568834249 /nfs/dbraw/zinc/83/42/49/568834249.db2.gz AOHKOEKMBKEQMT-UHFFFAOYSA-N 0 1 403.920 3.399 50 0 HGAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000012542110 568848792 /nfs/dbraw/zinc/84/87/92/568848792.db2.gz YCHDPIOGZBQRQP-IBGZPJMESA-N 0 1 412.559 3.052 50 0 HGAAMN Cc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccccc3F)CC2)c1 ZINC000030361156 568862012 /nfs/dbraw/zinc/86/20/12/568862012.db2.gz FEMKVEJWWRVXNM-UHFFFAOYSA-N 0 1 405.539 3.015 50 0 HGAAMN Cc1cccc(N2CCN(CCCCNS(=O)(=O)c3cc(F)cc(F)c3)CC2)c1 ZINC000030361186 568862027 /nfs/dbraw/zinc/86/20/27/568862027.db2.gz HJUUXUGCBNALBW-UHFFFAOYSA-N 0 1 423.529 3.154 50 0 HGAAMN CCOC(=O)[C@@](NC(=O)CC)(Nc1nc2ccc(OCC)cc2s1)C(F)(F)F ZINC000003671228 568867448 /nfs/dbraw/zinc/86/74/48/568867448.db2.gz YPZKJWAWJYZAGB-MRXNPFEDSA-N 0 1 419.425 3.455 50 0 HGAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(F)cc1Cl ZINC000003278474 568871326 /nfs/dbraw/zinc/87/13/26/568871326.db2.gz OEGHDSGYLCIEAM-UHFFFAOYSA-N 0 1 406.826 3.322 50 0 HGAAMN O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(Cc2cccc(F)c2)CC1 ZINC000299760155 568873043 /nfs/dbraw/zinc/87/30/43/568873043.db2.gz NZAUDVLSHWVXQT-JOCHJYFZSA-N 0 1 416.468 3.236 50 0 HGAAMN O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(F)c1 ZINC000003334834 568882574 /nfs/dbraw/zinc/88/25/74/568882574.db2.gz OQPYYPRQEGSRGD-UHFFFAOYSA-N 0 1 412.508 3.191 50 0 HGAAMN O=C1Cc2cc(S(=O)(=O)Nc3cc(Cl)ccc3OC[C@@H]3CCCO3)ccc2N1 ZINC000084490238 568949532 /nfs/dbraw/zinc/94/95/32/568949532.db2.gz SPDXWXHBZKWTDZ-AWEZNQCLSA-N 0 1 422.890 3.193 50 0 HGAAMN COc1ccc(NC(=O)C[C@@H](C)CC2=Nc3ccccc3S(=O)(=O)N2)c(OC)c1 ZINC000015826839 569011611 /nfs/dbraw/zinc/01/16/11/569011611.db2.gz BBOLOSMAVAYQCH-ZDUSSCGKSA-N 0 1 417.487 3.081 50 0 HGAAMN CC(=O)Nc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)ccc1O ZINC000012879871 569014715 /nfs/dbraw/zinc/01/47/15/569014715.db2.gz FFWBYTCZKDZLJU-UHFFFAOYSA-N 0 1 409.471 3.314 50 0 HGAAMN CCCN1CCN(C(=O)CN2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)CC1 ZINC000015862807 569016027 /nfs/dbraw/zinc/01/60/27/569016027.db2.gz FRGDZYFJRDRXHV-UHFFFAOYSA-N 0 1 421.589 3.132 50 0 HGAAMN C[C@H](C(=O)NCc1ccccc1Cl)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012910520 569021494 /nfs/dbraw/zinc/02/14/94/569021494.db2.gz BIGXDZNUFPUCKL-OAHLLOKOSA-N 0 1 415.921 3.401 50 0 HGAAMN C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H](C(=O)N(C)C)C1 ZINC000229755944 569040745 /nfs/dbraw/zinc/04/07/45/569040745.db2.gz FPJRZUDGFHBPHE-UYAOXDASSA-N 0 1 409.530 3.393 50 0 HGAAMN CCc1nc(-c2cc(S(=O)(=O)Nc3ccc(NC(C)=O)cc3)c(C)s2)no1 ZINC000035539329 569043648 /nfs/dbraw/zinc/04/36/48/569043648.db2.gz NTNSYKANRFQHDJ-UHFFFAOYSA-N 0 1 406.489 3.428 50 0 HGAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(Br)ccc2F)c1 ZINC000012998601 569048899 /nfs/dbraw/zinc/04/88/99/569048899.db2.gz IHLQVMUTJIQROT-UHFFFAOYSA-N 0 1 402.241 3.340 50 0 HGAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000245313101 569055739 /nfs/dbraw/zinc/05/57/39/569055739.db2.gz ZZFPRVRWYARAIA-AIFLQVKLSA-N 0 1 415.493 3.043 50 0 HGAAMN COc1ccccc1Nc1nc(N)nc(CSc2nc(-c3ccccc3F)n[nH]2)n1 ZINC000016683385 569070380 /nfs/dbraw/zinc/07/03/80/569070380.db2.gz RMOWHWOSZYLUPV-UHFFFAOYSA-N 0 1 424.465 3.423 50 0 HGAAMN CCOC(=O)[C@H]1CCC[N@H+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2)C1 ZINC000036104784 569092629 /nfs/dbraw/zinc/09/26/29/569092629.db2.gz QUXMOPZEVORLNA-DOTOQJQBSA-N 0 1 414.531 3.423 50 0 HGAAMN Cc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc(N2CCCC2)n1 ZINC000064800071 569097452 /nfs/dbraw/zinc/09/74/52/569097452.db2.gz PXHVJMQNDJBBFW-UHFFFAOYSA-N 0 1 400.914 3.393 50 0 HGAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000006730399 569102857 /nfs/dbraw/zinc/10/28/57/569102857.db2.gz IDBMEAHSKATKNE-UHFFFAOYSA-N 0 1 406.891 3.449 50 0 HGAAMN CCCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCO)c1 ZINC000006753041 569111748 /nfs/dbraw/zinc/11/17/48/569111748.db2.gz QPEXOHYNEWXCGS-JOCHJYFZSA-N 0 1 407.470 3.499 50 0 HGAAMN Cc1ccc(Cc2nc(CCNS(=O)(=O)c3ccc(CC(C)C)cc3)n[nH]2)cc1 ZINC000064969653 569138497 /nfs/dbraw/zinc/13/84/97/569138497.db2.gz GPUCYMBYRISSMF-UHFFFAOYSA-N 0 1 412.559 3.423 50 0 HGAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3F)C[C@H]2c2ccc(OC)cc2)CC1 ZINC000036341198 569141818 /nfs/dbraw/zinc/14/18/18/569141818.db2.gz VOOGTHYJTWQUAO-QHCPKHFHSA-N 0 1 424.520 3.150 50 0 HGAAMN CC(C)N1CCN(Cc2nc(-c3ccc(N(C)Cc4ccccc4)nc3)no2)CC1 ZINC000065216395 569197664 /nfs/dbraw/zinc/19/76/64/569197664.db2.gz BNWCZPCTQOOLHU-UHFFFAOYSA-N 0 1 406.534 3.294 50 0 HGAAMN CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1F)C(=O)OC ZINC000036579807 569202643 /nfs/dbraw/zinc/20/26/43/569202643.db2.gz SQOPRNAXDWZKHQ-PBQZTSCYSA-N 0 1 422.888 3.447 50 0 HGAAMN O=C(N[C@H](Cc1cnc[nH]1)Cc1ccccc1)c1cccc(OCC(F)(F)F)n1 ZINC000089830165 569266887 /nfs/dbraw/zinc/26/68/87/569266887.db2.gz NGEPGICWHZZWRW-HNNXBMFYSA-N 0 1 404.392 3.330 50 0 HGAAMN CC(=O)c1cccc(NS(=O)(=O)c2csc(C(=O)Nc3cc(C)on3)c2)c1 ZINC000006681794 569280019 /nfs/dbraw/zinc/28/00/19/569280019.db2.gz FFURBKIBDKZFFU-UHFFFAOYSA-N 0 1 405.457 3.300 50 0 HGAAMN COc1cc(CC[C@@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)ccc1O ZINC000002115175 569284539 /nfs/dbraw/zinc/28/45/39/569284539.db2.gz YFGLNZHQZLOTLC-SJORKVTESA-N 0 1 415.486 3.051 50 0 biogenic HGAAMN CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1F)C(=O)OC ZINC000252517837 569292271 /nfs/dbraw/zinc/29/22/71/569292271.db2.gz SQOPRNAXDWZKHQ-LIXBPZJASA-N 0 1 422.888 3.447 50 0 HGAAMN CCOC(=O)C1CCN(Cc2cn3c(nnc3-c3ccc(OC)cc3)s2)CC1 ZINC000002724092 569322409 /nfs/dbraw/zinc/32/24/09/569322409.db2.gz AZGHKGZODODQFW-UHFFFAOYSA-N 0 1 400.504 3.242 50 0 HGAAMN Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2ccc(C)cc2Br)o1 ZINC000055278905 569398017 /nfs/dbraw/zinc/39/80/17/569398017.db2.gz CLYVBKIDHHTGJO-UHFFFAOYSA-N 0 1 415.353 3.411 50 0 HGAAMN COc1cc(CC[C@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)ccc1O ZINC000012661122 569402579 /nfs/dbraw/zinc/40/25/79/569402579.db2.gz YFGLNZHQZLOTLC-DLBZAZTESA-N 0 1 415.486 3.051 50 0 biogenic HGAAMN COc1ccc(CN2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)cc1F ZINC000013366637 569412331 /nfs/dbraw/zinc/41/23/31/569412331.db2.gz ZMOBZADCASCRLS-UHFFFAOYSA-N 0 1 412.440 3.322 50 0 HGAAMN COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000028724959 571037681 /nfs/dbraw/zinc/03/76/81/571037681.db2.gz GBTODMZNICNMTQ-SJORKVTESA-N 0 1 423.517 3.155 50 0 HGAAMN CC(=O)c1ccc(N2CCN(C(=O)c3[nH]nnc3Nc3ccc(Cl)cc3)CC2)cc1 ZINC000067284352 571063649 /nfs/dbraw/zinc/06/36/49/571063649.db2.gz HHDIMUOGFIVUPU-UHFFFAOYSA-N 0 1 424.892 3.367 50 0 HGAAMN CCOC(=O)CN1c2ccccc2CC[C@H](Sc2nc(-c3ccccc3)n[nH]2)C1=O ZINC000008671833 571100389 /nfs/dbraw/zinc/10/03/89/571100389.db2.gz CEWFFVVYCPZCGO-SFHVURJKSA-N 0 1 422.510 3.475 50 0 HGAAMN C[C@@H](NCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 ZINC000039738442 571134048 /nfs/dbraw/zinc/13/40/48/571134048.db2.gz GCSGCLAYXMKOJF-VGSWGCGISA-N 0 1 418.603 3.174 50 0 HGAAMN COc1cccc([C@H](CNC(=O)C2CCN(C(=O)c3ccsc3)CC2)N(C)C)c1 ZINC000040062711 571147770 /nfs/dbraw/zinc/14/77/70/571147770.db2.gz LYEZSZXQFGYAFU-FQEVSTJZSA-N 0 1 415.559 3.028 50 0 HGAAMN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)[C@@H]1CCCN(c2cnccn2)C1 ZINC000040063315 571148086 /nfs/dbraw/zinc/14/80/86/571148086.db2.gz LZLJJZFGRVTUKL-XLIONFOSSA-N 0 1 413.953 3.300 50 0 HGAAMN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCCN1CCc2ccccc2C1 ZINC000040068006 571148682 /nfs/dbraw/zinc/14/86/82/571148682.db2.gz DUTYGXGZYPVEPZ-SFHVURJKSA-N 0 1 404.518 3.028 50 0 HGAAMN O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000040154824 571202110 /nfs/dbraw/zinc/20/21/10/571202110.db2.gz IANPBEJLUPEVGR-GFCCVEGCSA-N 0 1 417.395 3.136 50 0 HGAAMN CCCCOc1ccc2nc(N[C@@](NC(C)=O)(C(=O)OC)C(F)(F)F)sc2c1 ZINC000009087586 571220123 /nfs/dbraw/zinc/22/01/23/571220123.db2.gz KEQIANABCXTKQE-INIZCTEOSA-N 0 1 419.425 3.455 50 0 HGAAMN CCN1CCN(c2cc(CNC(=O)c3cc4cc(OC)ccc4nc3C)ccn2)CC1 ZINC000069516283 571228759 /nfs/dbraw/zinc/22/87/59/571228759.db2.gz AFJWLFVZUBCHHM-UHFFFAOYSA-N 0 1 419.529 3.019 50 0 HGAAMN COc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000009151977 571230789 /nfs/dbraw/zinc/23/07/89/571230789.db2.gz OIPJFWQTKASUTP-UHFFFAOYSA-N 0 1 401.419 3.282 50 0 HGAAMN C[C@H]1CN(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)C[C@H](C)O1 ZINC000009486275 571262396 /nfs/dbraw/zinc/26/23/96/571262396.db2.gz GHCWLGOHHUXUIO-GJZGRUSLSA-N 0 1 409.438 3.180 50 0 biogenic HGAAMN CCCCn1nc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c2ccccc2c1=O ZINC000009577355 571269939 /nfs/dbraw/zinc/26/99/39/571269939.db2.gz PIBJPGVRRHPHIO-LJQANCHMSA-N 0 1 408.502 3.357 50 0 HGAAMN CCC(=O)N(c1nnc(SCC(=O)c2ccc(O)c(NC(C)=O)c2)s1)C1CC1 ZINC000009580399 571270420 /nfs/dbraw/zinc/27/04/20/571270420.db2.gz VJDHLRFVYYLJIA-UHFFFAOYSA-N 0 1 420.516 3.083 50 0 HGAAMN C[C@H](C(=O)NCc1cccnc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000034684523 571316407 /nfs/dbraw/zinc/31/64/07/571316407.db2.gz METVQNCSAIGEKS-OAQYLSRUSA-N 0 1 414.553 3.494 50 0 HGAAMN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)nc2)c(C)c1C ZINC000008705466 132332278 /nfs/dbraw/zinc/33/22/78/132332278.db2.gz RCDTYCRMUPWPNK-UHFFFAOYSA-N 0 1 402.564 3.176 50 0 HGAAMN COc1ccc([C@H](CNC(=O)N2CCN(c3ccccc3)CC2)N2CCCC2)cc1 ZINC000009595920 132341519 /nfs/dbraw/zinc/34/15/19/132341519.db2.gz QYJAFNOTEHYFIJ-QHCPKHFHSA-N 0 1 408.546 3.364 50 0 HGAAMN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 ZINC000011697965 132349945 /nfs/dbraw/zinc/34/99/45/132349945.db2.gz CHDUFQQLTMLGFY-UHFFFAOYSA-N 0 1 424.892 3.240 50 0 HGAAMN CSc1ncc(CN2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cn1 ZINC000022914582 132476550 /nfs/dbraw/zinc/47/65/50/132476550.db2.gz GMCVWBJCZHWAIC-HXUWFJFHSA-N 0 1 401.555 3.124 50 0 HGAAMN CCN1CCN(c2ncnc3sc(C(=O)NCc4ccccc4C)c(C)c32)CC1 ZINC000033048456 132501720 /nfs/dbraw/zinc/50/17/20/132501720.db2.gz GZLMNEQGMQZCTC-UHFFFAOYSA-N 0 1 409.559 3.380 50 0 HGAAMN CC(C)c1noc(-c2ccc(OCC(=O)NCCN3CCc4ccccc4C3)cc2)n1 ZINC000032579027 519898851 /nfs/dbraw/zinc/89/88/51/519898851.db2.gz ABYCHSSXBPCKFY-UHFFFAOYSA-N 0 1 420.513 3.413 50 0 HGAAMN CCOC(=O)C1=C(CN2CCn3cccc3[C@@H]2C)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560320 520516495 /nfs/dbraw/zinc/51/64/95/520516495.db2.gz CRWWEMXNQLCDCX-HRAATJIYSA-N 0 1 408.502 3.044 50 0 HGAAMN COc1ccc(-c2nc(C(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)cs2)cc1OC ZINC000032903362 523191255 /nfs/dbraw/zinc/19/12/55/523191255.db2.gz MYJROGVPDJNEID-HUUCEWRRSA-N 0 1 419.547 3.056 50 0 HGAAMN CSc1ccc(N2C[C@H](C(=O)NC[C@H](c3cccc(F)c3)N(C)C)CC2=O)cc1 ZINC000032730850 526021708 /nfs/dbraw/zinc/02/17/08/526021708.db2.gz ZVOWKENQCALEFI-OXQOHEQNSA-N 0 1 415.534 3.320 50 0 HGAAMN Cc1nc(CN2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cs1 ZINC000032332992 526863950 /nfs/dbraw/zinc/86/39/50/526863950.db2.gz XZNLPJZCNWVNTN-UHFFFAOYSA-N 0 1 401.923 3.453 50 0 HGAAMN Nc1ccc(S(=O)(=O)Nc2nccc(-c3cnc(-c4cccnc4)s3)n2)cc1 ZINC000043783167 527499431 /nfs/dbraw/zinc/49/94/31/527499431.db2.gz GEKTWIYBLBCGMN-UHFFFAOYSA-N 0 1 410.484 3.045 50 0 HGAAMN O=C(Nc1nc(C(=O)N2CCN(C3CCCC3)CC2)cs1)c1ccc(F)c(F)c1 ZINC000040355666 527503599 /nfs/dbraw/zinc/50/35/99/527503599.db2.gz UWIBMJIKPZIANE-UHFFFAOYSA-N 0 1 420.485 3.374 50 0 HGAAMN Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000000987734 557133142 /nfs/dbraw/zinc/13/31/42/557133142.db2.gz UMEODYAMQJFUDE-UHFFFAOYSA-N 0 1 414.512 3.317 50 0 HGAAMN CCOc1ccc([C@@H]2NC(=O)N=C(C)C2C(=O)OCc2ccc3c(c2)OCO3)cc1 ZINC000001189340 557235615 /nfs/dbraw/zinc/23/56/15/557235615.db2.gz HVWULKFKFSPVNO-FQEVSTJZSA-N 0 1 410.426 3.185 50 0 HGAAMN CCOC(=O)c1ccc(C(=O)c2cccc(CN3CCC4(CC3)OCCO4)c2)cc1 ZINC000002515225 557354079 /nfs/dbraw/zinc/35/40/79/557354079.db2.gz JMOUETOGGMKHTK-UHFFFAOYSA-N 0 1 409.482 3.433 50 0 HGAAMN Cc1cccc(CNC(=O)c2n[nH]c3c2CN(C(=O)Cc2cccc(Cl)c2)CC3)c1 ZINC000034797354 557472386 /nfs/dbraw/zinc/47/23/86/557472386.db2.gz IEAVQZIJLZRWMU-UHFFFAOYSA-N 0 1 422.916 3.429 50 0 HGAAMN COc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000005675809 557668152 /nfs/dbraw/zinc/66/81/52/557668152.db2.gz JIWOBGZPCHTGKU-UHFFFAOYSA-N 0 1 407.558 3.252 50 0 HGAAMN CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@H]1c1cc(OC)c(OC)cc1OC ZINC000005795915 557674960 /nfs/dbraw/zinc/67/49/60/557674960.db2.gz PYVOMYJFJCAQEM-FQEVSTJZSA-N 0 1 412.442 3.041 50 0 HGAAMN Cc1c(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)c(Cl)c3)c2)cnn1C ZINC000002804806 557763588 /nfs/dbraw/zinc/76/35/88/557763588.db2.gz ARCGAMBBCCFBPR-UHFFFAOYSA-N 0 1 400.291 3.081 50 0 HGAAMN COCCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(Cl)ccc3OC)ccc21 ZINC000022688614 557779569 /nfs/dbraw/zinc/77/95/69/557779569.db2.gz KUNPSANMLJJUGH-UHFFFAOYSA-N 0 1 424.906 3.075 50 0 HGAAMN CC[C@@]1(C)Oc2ccc(NS(=O)(=O)c3cc4oc(=O)n(C)c4cc3Cl)cc2O1 ZINC000008973611 557817018 /nfs/dbraw/zinc/81/70/18/557817018.db2.gz FQWUSWDBTHUJEA-SFHVURJKSA-N 0 1 424.862 3.483 50 0 HGAAMN COc1ccc(CN2CCN(Cc3ccc(O)c(OC)c3)C[C@@H]2CCO)c(C)c1C ZINC000019790952 558282428 /nfs/dbraw/zinc/28/24/28/558282428.db2.gz WFUMOZODOKFXSB-NRFANRHFSA-N 0 1 414.546 3.095 50 0 HGAAMN CCN1CCN([C@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2)CC1 ZINC000019796745 558284559 /nfs/dbraw/zinc/28/45/59/558284559.db2.gz JMKIYTCTMAAOGK-JOCHJYFZSA-N 0 1 404.514 3.450 50 0 HGAAMN COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccoc4C)n3CC2)cc1C ZINC000019835902 558292788 /nfs/dbraw/zinc/29/27/88/558292788.db2.gz QLMKDKXDGMKREY-MRXNPFEDSA-N 0 1 423.517 3.046 50 0 HGAAMN Cc1ccc(N2CCN(C[C@H](O)COc3ccc(Br)cc3)CC2)cc1 ZINC000019850567 558295435 /nfs/dbraw/zinc/29/54/35/558295435.db2.gz JENLAVDYHRMFFI-IBGZPJMESA-N 0 1 405.336 3.319 50 0 HGAAMN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCN1CCN(C)CC1 ZINC000019902717 558305613 /nfs/dbraw/zinc/30/56/13/558305613.db2.gz PTCOTLJOYFZMTB-UHFFFAOYSA-N 0 1 401.532 3.168 50 0 HGAAMN CCn1cc(CN2CCC(n3nccc3NC(=O)c3ccc(OC)cc3)CC2)cn1 ZINC000011997117 558307244 /nfs/dbraw/zinc/30/72/44/558307244.db2.gz ZLNRPZRFLZWWBY-UHFFFAOYSA-N 0 1 408.506 3.198 50 0 HGAAMN Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COCc2ccc3c(c2)OCO3)CC1 ZINC000020109766 558334967 /nfs/dbraw/zinc/33/49/67/558334967.db2.gz ZESVBGZPMYCMTO-LJQANCHMSA-N 0 1 418.921 3.077 50 0 HGAAMN O=C(c1nc2ccccn2c1CN(Cc1ccccc1)CC1CC1)N1CCOCC1 ZINC000012303206 558372958 /nfs/dbraw/zinc/37/29/58/558372958.db2.gz RQXXFFBQQXRGIU-UHFFFAOYSA-N 0 1 404.514 3.219 50 0 HGAAMN COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000020720599 558402767 /nfs/dbraw/zinc/40/27/67/558402767.db2.gz PUPYAGPYOHNTNW-DOTOQJQBSA-N 0 1 422.938 3.015 50 0 HGAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCCO)cc1 ZINC000021148586 558432436 /nfs/dbraw/zinc/43/24/36/558432436.db2.gz WZTRWWMOBWFKMT-QFIPXVFZSA-N 0 1 407.470 3.417 50 0 HGAAMN COCc1ccc(CN2CCC[C@@H](CNC(=O)c3cccc(OC)c3OC)C2)o1 ZINC000012584284 558433574 /nfs/dbraw/zinc/43/35/74/558433574.db2.gz IYMOTSQRBMSVTJ-INIZCTEOSA-N 0 1 402.491 3.085 50 0 HGAAMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)Nc2cccc(C)c2)cc1 ZINC000013039453 558506111 /nfs/dbraw/zinc/50/61/11/558506111.db2.gz FXMUXOXDOGKQLM-QGZVFWFLSA-N 0 1 403.548 3.315 50 0 HGAAMN CCOC(=O)C1C(CN2CCCc3cccc(F)c32)=NC(=O)N[C@H]1c1ccccc1 ZINC000022846946 558516261 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O=C(Cc1ccccc1)N1CCC[C@H](C(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000040073661 571153911 /nfs/dbraw/zinc/15/39/11/571153911.db2.gz VZYAGPDZRUHWAF-LEWJYISDSA-N 0 1 409.530 3.014 50 0 HGAAMN CN(C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1cccs1 ZINC000040120002 571176184 /nfs/dbraw/zinc/17/61/84/571176184.db2.gz NHVYILMJRIJWMW-PKOBYXMFSA-N 0 1 417.550 3.087 50 0 HGAAMN C[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C[NH+]1CCCCC1 ZINC000040157529 571204124 /nfs/dbraw/zinc/20/41/24/571204124.db2.gz HSHRCNJVLDUIPL-SFHVURJKSA-N 0 1 415.559 3.339 50 0 HGAAMN Cc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)[nH]n3)n2N)cc1 ZINC000009011837 571210599 /nfs/dbraw/zinc/21/05/99/571210599.db2.gz SQKLAHZMNXNGHX-UHFFFAOYSA-N 0 1 405.487 3.088 50 0 HGAAMN CCC(Nc1cc(OC)ccc1OC)=C1C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000009016121 571211339 /nfs/dbraw/zinc/21/13/39/571211339.db2.gz RHKJAQCBNZLOHK-OBGWFSINSA-N 0 1 401.463 3.191 50 0 HGAAMN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1CN1CC[C@H]2CCCC[C@H]2C1 ZINC000245237529 571219207 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Cc1ccccc1CN1CCN(Cc2cnn(-c3ccccc3F)c2)C[C@@H]1CCO ZINC000020202790 558346066 /nfs/dbraw/zinc/34/60/66/558346066.db2.gz FIYKRICMJPUFLY-QFIPXVFZSA-N 0 1 408.521 3.389 50 0 HGAAMN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3c[nH]nc3C3CCCCC3)C2)CC1 ZINC000020452630 558366891 /nfs/dbraw/zinc/36/68/91/558366891.db2.gz XFULBQISULUWKO-HXUWFJFHSA-N 0 1 403.571 3.196 50 0 HGAAMN Cc1n[nH]c(C)c1CNCc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000012305259 558374465 /nfs/dbraw/zinc/37/44/65/558374465.db2.gz PKTYDINIACOELA-UHFFFAOYSA-N 0 1 402.502 3.236 50 0 HGAAMN CN(CCc1cn[nH]c1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012307994 558376464 /nfs/dbraw/zinc/37/64/64/558376464.db2.gz AKACNBGOUIXFTM-UHFFFAOYSA-N 0 1 419.529 3.163 50 0 HGAAMN Cc1cccc(C)c1OCCOC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000020500414 558380695 /nfs/dbraw/zinc/38/06/95/558380695.db2.gz XMTKIQRGFKPZID-QFIPXVFZSA-N 0 1 402.510 3.021 50 0 HGAAMN COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1Cl ZINC000020725558 558404618 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3.188 50 0 HGAAMN CCc1ccc([C@H]2NC(=O)NC(CN3CCc4ccccc4C3)=C2C(=O)OC)cc1 ZINC000057415162 568833800 /nfs/dbraw/zinc/83/38/00/568833800.db2.gz GPQIKPUJRASXRZ-JOCHJYFZSA-N 0 1 405.498 3.088 50 0 HGAAMN CCOC(=O)C1C(CN2CCc3ccccc3C2)=NC(=O)N[C@H]1c1cccc(F)c1 ZINC000057415611 568834058 /nfs/dbraw/zinc/83/40/58/568834058.db2.gz USWSVZMABZNFPY-NRFANRHFSA-N 0 1 409.461 3.055 50 0 HGAAMN COc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4)CC3)n[nH]2)c(OC)c1 ZINC000057477146 568839532 /nfs/dbraw/zinc/83/95/32/568839532.db2.gz SOMUURPEXVESBY-UHFFFAOYSA-N 0 1 406.486 3.365 50 0 HGAAMN Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000012557203 568856175 /nfs/dbraw/zinc/85/61/75/568856175.db2.gz FKLBPTLSNSHJSA-UHFFFAOYSA-N 0 1 422.450 3.065 50 0 HGAAMN CCOc1ccc(OCCOc2ccc(CNCC(=O)N(C)C)cc2OCC)cc1 ZINC000057681796 568858176 /nfs/dbraw/zinc/85/81/76/568858176.db2.gz UODJFJHCNSJZRT-UHFFFAOYSA-N 0 1 416.518 3.120 50 0 HGAAMN O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Cl)ccc1Cl ZINC000012585465 568866275 /nfs/dbraw/zinc/86/62/75/568866275.db2.gz LSVFLZZZQVHXGJ-UHFFFAOYSA-N 0 1 421.327 3.334 50 0 HGAAMN CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@@]23c2ccccc2NC3=O)cc1 ZINC000057992087 568873196 /nfs/dbraw/zinc/87/31/96/568873196.db2.gz RKQZVYFIUMOCFC-VUMVONDWSA-N 0 1 419.481 3.134 50 0 biogenic HGAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1C ZINC000003515893 568911598 /nfs/dbraw/zinc/91/15/98/568911598.db2.gz QBXFDEGWOVDLFY-UHFFFAOYSA-N 0 1 400.456 3.327 50 0 HGAAMN O=C(NCCN1CCc2ccccc2C1)c1cccc(I)c1 ZINC000031338018 568924427 /nfs/dbraw/zinc/92/44/27/568924427.db2.gz TXOAKQBCGRLXDC-UHFFFAOYSA-N 0 1 406.267 3.079 50 0 HGAAMN CC(C)N(Cc1ccccc1)C(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012757635 568943321 /nfs/dbraw/zinc/94/33/21/568943321.db2.gz MWCIOPMTCAALIF-UHFFFAOYSA-N 0 1 409.530 3.480 50 0 HGAAMN COc1cc(Br)c(OC)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000012762256 568946511 /nfs/dbraw/zinc/94/65/11/568946511.db2.gz UHQVPVSYGVDKOS-OAHLLOKOSA-N 0 1 419.319 3.471 50 0 HGAAMN COc1cccc([C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCCC2)c1 ZINC000012789061 568960710 /nfs/dbraw/zinc/96/07/10/568960710.db2.gz XANMSWZUNXRGOP-REWPJTCUSA-N 0 1 421.541 3.310 50 0 HGAAMN COc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4)CC3)n[nH]2)c1 ZINC000015680728 568967586 /nfs/dbraw/zinc/96/75/86/568967586.db2.gz GIFOUMIOQXFZPZ-UHFFFAOYSA-N 0 1 424.888 3.337 50 0 HGAAMN COc1ccccc1[C@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)N1CCCC1 ZINC000008134025 568976579 /nfs/dbraw/zinc/97/65/79/568976579.db2.gz BTCMKZGIULGOEG-NRFANRHFSA-N 0 1 407.514 3.389 50 0 HGAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCN2C(=O)c3ccccc3C2=O)n1 ZINC000012803129 568979244 /nfs/dbraw/zinc/97/92/44/568979244.db2.gz IWZDHSTZXMYFML-UHFFFAOYSA-N 0 1 400.847 3.480 50 0 HGAAMN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008424948 569001988 /nfs/dbraw/zinc/00/19/88/569001988.db2.gz VJUALCDTAIBMKL-DLBZAZTESA-N 0 1 404.580 3.319 50 0 HGAAMN COC(=O)C1C(CN2CC=C(c3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000067204819 569003282 /nfs/dbraw/zinc/00/32/82/569003282.db2.gz OFWBXOYDNXODDX-JOCHJYFZSA-N 0 1 421.472 3.396 50 0 HGAAMN O=C1COc2cc(S(=O)(=O)Nc3cccc(Br)c3)c(Cl)cc2N1 ZINC000015822186 569010744 /nfs/dbraw/zinc/01/07/44/569010744.db2.gz WRSQYVXTGMWAHZ-UHFFFAOYSA-N 0 1 417.668 3.234 50 0 HGAAMN C[C@H](c1ccccc1)N1CC[C@@](F)(COC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000225397524 569039871 /nfs/dbraw/zinc/03/98/71/569039871.db2.gz XLTWXKWDRSVIMP-MONBJTKQSA-N 0 1 402.510 3.353 50 0 HGAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2[C@H]2CCCN21 ZINC000245313102 569055838 /nfs/dbraw/zinc/05/58/38/569055838.db2.gz ZZFPRVRWYARAIA-IZZGNVEXSA-N 0 1 415.493 3.043 50 0 HGAAMN CN1CCN(CCOc2ccccc2NC(=O)COc2ccc3ccccc3c2)CC1 ZINC000089382711 569058887 /nfs/dbraw/zinc/05/88/87/569058887.db2.gz HYILMVHVZLOTPO-UHFFFAOYSA-N 0 1 419.525 3.484 50 0 HGAAMN CN1CCN(c2nc3nn(-c4ccccc4)c(N)c3c(-c3ccccc3Cl)n2)CC1 ZINC000035929672 569066676 /nfs/dbraw/zinc/06/66/76/569066676.db2.gz BXDQMQXRJNKNPE-UHFFFAOYSA-N 0 1 419.920 3.470 50 0 HGAAMN CCOC(=O)C1=C(CN2CCC(C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035991555 569074741 /nfs/dbraw/zinc/07/47/41/569074741.db2.gz GGISFVGQVDQWKJ-HXUWFJFHSA-N 0 1 403.498 3.461 50 0 HGAAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=CNN1CCCC[C@H]1c1cccnc1 ZINC000036023040 569077416 /nfs/dbraw/zinc/07/74/16/569077416.db2.gz YVIMYHFZDADHDL-ZSFFSCSXSA-N 0 1 405.458 3.116 50 0 biogenic HGAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(N[C@@H]3OC(=O)c4ccccc43)cc2)n1 ZINC000006740426 569106521 /nfs/dbraw/zinc/10/65/21/569106521.db2.gz CCPOZYQUVMQFMJ-GOSISDBHSA-N 0 1 410.455 3.175 50 0 HGAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2CCO)cc1 ZINC000006743222 569107897 /nfs/dbraw/zinc/10/78/97/569107897.db2.gz YHGCQHVVXFYICL-QFIPXVFZSA-N 0 1 407.470 3.335 50 0 HGAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2CCO)cc1 ZINC000006743221 569107906 /nfs/dbraw/zinc/10/79/06/569107906.db2.gz YHGCQHVVXFYICL-JOCHJYFZSA-N 0 1 407.470 3.335 50 0 HGAAMN CCOc1cc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCOC)ccc1O ZINC000006752807 569111336 /nfs/dbraw/zinc/11/13/36/569111336.db2.gz NRVKUKOIYNYDPO-NRFANRHFSA-N 0 1 409.442 3.078 50 0 HGAAMN CC[C@H](C)[C@H](NC[C@@H](O)COCC(C)C)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000169680061 569126753 /nfs/dbraw/zinc/12/67/53/569126753.db2.gz IGQLYGXVUANRAH-GMBSWORKSA-N 0 1 405.495 3.176 50 0 HGAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)CC1 ZINC000036341269 569141847 /nfs/dbraw/zinc/14/18/47/569141847.db2.gz FUFGMBYVPVITEY-QFIPXVFZSA-N 0 1 412.484 3.280 50 0 HGAAMN CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1Cl)C(=O)OC ZINC000036580072 569203027 /nfs/dbraw/zinc/20/30/27/569203027.db2.gz WAIWNQSLJFUOKC-IWEFOYFVSA-N 0 1 404.898 3.308 50 0 HGAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1ccc(OCC(C)C)cc1)CC(=O)N2 ZINC000524732721 569212690 /nfs/dbraw/zinc/21/26/90/569212690.db2.gz WVHRZTDIOBMOBE-INIZCTEOSA-N 0 1 417.473 3.356 50 0 HGAAMN COc1ccc(-c2n[nH]c(S[C@H](C(=O)N3CCOCC3)c3ccccc3)n2)cc1 ZINC000007188770 569227878 /nfs/dbraw/zinc/22/78/78/569227878.db2.gz LKSRWWDCXNLYGM-SFHVURJKSA-N 0 1 410.499 3.173 50 0 HGAAMN O=C([C@H]1CCCO1)N1CCc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21 ZINC000013696674 569257146 /nfs/dbraw/zinc/25/71/46/569257146.db2.gz IAIGRTVLIOOGAY-QGZVFWFLSA-N 0 1 406.891 3.209 50 0 HGAAMN O=C(NCc1ccccn1)c1ccc(Cn2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000001129798 569277335 /nfs/dbraw/zinc/27/73/35/569277335.db2.gz VPQHYWCXPVTNCD-UHFFFAOYSA-N 0 1 402.479 3.059 50 0 HGAAMN Cc1cccc(-c2nc(N3CCN(C)CC3)nc3nn(-c4cccc(F)c4)c(N)c32)c1 ZINC000037360619 569283619 /nfs/dbraw/zinc/28/36/19/569283619.db2.gz YZWYTXDDMCEVFL-UHFFFAOYSA-N 0 1 417.492 3.264 50 0 HGAAMN COC(=O)[C@@](NNc1ccccc1)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F ZINC000002270435 569326526 /nfs/dbraw/zinc/32/65/26/569326526.db2.gz MDZJHQJVHAAVDT-IBGZPJMESA-N 0 1 420.391 3.021 50 0 HGAAMN O=C(CN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)NCc1ccc2c(c1)OCO2 ZINC000253431842 569369763 /nfs/dbraw/zinc/36/97/63/569369763.db2.gz XPEQBNANNAIXRM-KRWDZBQOSA-N 0 1 412.877 3.398 50 0 HGAAMN O=C(CN1C(=S)N=NC1c1cccs1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000040040413 571142583 /nfs/dbraw/zinc/14/25/83/571142583.db2.gz IWWIXGFQLWRDKJ-AWEZNQCLSA-N 0 1 417.560 3.232 50 0 HGAAMN COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1 ZINC000008893169 571143063 /nfs/dbraw/zinc/14/30/63/571143063.db2.gz RJFRCHFWUDXRGF-FQEVSTJZSA-N 0 1 415.559 3.106 50 0 HGAAMN O=S(=O)(NC[C@H](c1ccsc1)N1CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000008901322 571144572 /nfs/dbraw/zinc/14/45/72/571144572.db2.gz PSJRKSMQNVCDFI-GOSISDBHSA-N 0 1 422.572 3.415 50 0 HGAAMN O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCc1ccncc1 ZINC000009061077 571217673 /nfs/dbraw/zinc/21/76/73/571217673.db2.gz KCITVCMXBFVVAU-UHFFFAOYSA-N 0 1 402.406 3.256 50 0 biogenic HGAAMN CCOC(=O)C1=C(CN(C)[C@H]2CCCc3ccccc32)NC(=O)N[C@H]1c1ccco1 ZINC000245237334 571219341 /nfs/dbraw/zinc/21/93/41/571219341.db2.gz JVIBEVQYMAWWOF-RXVVDRJESA-N 0 1 409.486 3.460 50 0 HGAAMN CCCCOc1ccc2nc(N[C@](NC(C)=O)(C(=O)OC)C(F)(F)F)sc2c1 ZINC000009087587 571220073 /nfs/dbraw/zinc/22/00/73/571220073.db2.gz KEQIANABCXTKQE-MRXNPFEDSA-N 0 1 419.425 3.455 50 0 HGAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000009217440 571237520 /nfs/dbraw/zinc/23/75/20/571237520.db2.gz CNGGCLQFRVPLDK-HXUWFJFHSA-N 0 1 413.493 3.224 50 0 HGAAMN CCOc1ccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN(C)C)cc1 ZINC000009328358 571248470 /nfs/dbraw/zinc/24/84/70/571248470.db2.gz ZYFLZKYVSUGSCD-OAQYLSRUSA-N 0 1 422.481 3.307 50 0 HGAAMN COc1ccc(NS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)cc1Cl ZINC000009684255 571279361 /nfs/dbraw/zinc/27/93/61/571279361.db2.gz KQENXJKEENYCMS-UHFFFAOYSA-N 0 1 411.911 3.330 50 0 HGAAMN CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl ZINC000010265807 571298724 /nfs/dbraw/zinc/29/87/24/571298724.db2.gz GVYYNHLCUXRIHU-UHFFFAOYSA-N 0 1 417.270 3.160 50 0 HGAAMN COc1ccc(S(=O)(=O)NC[C@@H](c2cccc3ccccc32)N(C)C)cc1OC ZINC000010335626 571300795 /nfs/dbraw/zinc/30/07/95/571300795.db2.gz OKSRYIOXZRWGHE-FQEVSTJZSA-N 0 1 414.527 3.438 50 0 HGAAMN O=C1[C@@H]2CCCCN2C(=O)N1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000000641753 132229589 /nfs/dbraw/zinc/22/95/89/132229589.db2.gz MOTJYLIHRABCOF-SFHVURJKSA-N 0 1 424.467 3.034 50 0 HGAAMN O=C([C@H]1CCCN(c2ncnc3[nH]cnc32)C1)N1CCC(Cc2ccccc2)CC1 ZINC000009059629 132335206 /nfs/dbraw/zinc/33/52/06/132335206.db2.gz DXZSJKYYSWIHOD-IBGZPJMESA-N 0 1 404.518 3.051 50 0 HGAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@H](C)S3)c1 ZINC000009406962 132339290 /nfs/dbraw/zinc/33/92/90/132339290.db2.gz DGRKZOJOQXZDBH-LBPRGKRZSA-N 0 1 422.528 3.352 50 0 HGAAMN Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)nnn1-c1cc(C)ccc1C ZINC000012274076 132357977 /nfs/dbraw/zinc/35/79/77/132357977.db2.gz MWTVWMLNOGUTQK-UHFFFAOYSA-N 0 1 404.518 3.197 50 0 HGAAMN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000012557716 132363805 /nfs/dbraw/zinc/36/38/05/132363805.db2.gz JCWAYUSCMVZWHA-HSZRJFAPSA-N 0 1 404.514 3.341 50 0 HGAAMN CN1CCN(c2ccc(NC(=O)c3ccc(COCC(F)(F)F)cc3)cn2)CC1 ZINC000022471803 132474611 /nfs/dbraw/zinc/47/46/11/132474611.db2.gz JAYCPCDRUCFGAT-UHFFFAOYSA-N 0 1 408.424 3.165 50 0 HGAAMN CC(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])N3CC[NH+](Cc4cccs4)CC3)c2c1 ZINC000032095141 519734353 /nfs/dbraw/zinc/73/43/53/519734353.db2.gz LGSZVSYYZGKEPP-HXUWFJFHSA-N 0 1 412.515 3.131 50 0 HGAAMN CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1cccc(F)c1 ZINC000032795270 522079574 /nfs/dbraw/zinc/07/95/74/522079574.db2.gz LPUZKUBQUBNCIT-HNAYVOBHSA-N 0 1 403.885 3.251 50 0 HGAAMN COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(OC)c2)cc1 ZINC000032124184 522104814 /nfs/dbraw/zinc/10/48/14/522104814.db2.gz KITIIBRPCRSEAD-FQEVSTJZSA-N 0 1 406.442 3.385 50 0 biogenic HGAAMN CNS(=O)(=O)c1cc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)ccc1C ZINC000032889308 522271601 /nfs/dbraw/zinc/27/16/01/522271601.db2.gz AVDQKCCAYQYYPR-UHFFFAOYSA-N 0 1 404.879 3.199 50 0 HGAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cccnc2OC)c1 ZINC000032755200 524648121 /nfs/dbraw/zinc/64/81/21/524648121.db2.gz ZJSJNPOOEWLXCD-UHFFFAOYSA-N 0 1 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0 HGAAMN CC(=O)c1cccc(C(=O)NC2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)c1 ZINC000049406752 568449069 /nfs/dbraw/zinc/44/90/69/568449069.db2.gz OPTCQUPZSGRYPZ-UHFFFAOYSA-N 0 1 416.481 3.314 50 0 HGAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)cc1OC ZINC000006752884 568458463 /nfs/dbraw/zinc/45/84/63/568458463.db2.gz BUIFQZJEFWHKGS-JOCHJYFZSA-N 0 1 423.469 3.117 50 0 HGAAMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)c(OC)c1 ZINC000000802785 568485128 /nfs/dbraw/zinc/48/51/28/568485128.db2.gz JFRXTBZSHCBHTN-UHFFFAOYSA-N 0 1 402.428 3.350 50 0 HGAAMN COc1ccc(-c2cc(C(=O)Nc3nc(CCc4ccccc4)n[nH]3)n[nH]2)cc1OC ZINC000095477046 568630692 /nfs/dbraw/zinc/63/06/92/568630692.db2.gz PDRCVAPCQUMACA-UHFFFAOYSA-N 0 1 418.457 3.250 50 0 HGAAMN COc1ccc(-c2cc(C(=O)Nc3n[nH]c(CCc4ccccc4)n3)n[nH]2)cc1OC ZINC000095477046 568630695 /nfs/dbraw/zinc/63/06/95/568630695.db2.gz PDRCVAPCQUMACA-UHFFFAOYSA-N 0 1 418.457 3.250 50 0 HGAAMN COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000020763143 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Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN2CCCCC2)c2ccc(F)cc2)cc1 ZINC000016839632 569264298 /nfs/dbraw/zinc/26/42/98/569264298.db2.gz FQJAXHFBNOQLSD-FQEVSTJZSA-N 0 1 406.523 3.176 50 0 HGAAMN COc1ccc(Cl)cc1C(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1 ZINC000017012236 569271479 /nfs/dbraw/zinc/27/14/79/569271479.db2.gz ZGXBVQDZUJIHOI-UHFFFAOYSA-N 0 1 415.925 3.010 50 0 HGAAMN CNC(=O)c1cc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cs1 ZINC000006681541 569280052 /nfs/dbraw/zinc/28/00/52/569280052.db2.gz YHWQSVODBGIBRP-UHFFFAOYSA-N 0 1 415.496 3.161 50 0 HGAAMN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1 ZINC000252457593 569286424 /nfs/dbraw/zinc/28/64/24/569286424.db2.gz VDKJESCCOWUKAG-NRFANRHFSA-N 0 1 415.559 3.273 50 0 HGAAMN CN1CCN(c2nc3nn(-c4cccc(F)c4)c(N)c3c(-c3cccc(F)c3)n2)CC1 ZINC000037375818 569287879 /nfs/dbraw/zinc/28/78/79/569287879.db2.gz VVSGGSXOHPHKPL-UHFFFAOYSA-N 0 1 421.455 3.095 50 0 HGAAMN CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc(C)c(Cl)c3)co2)CC1 ZINC000034677559 569292496 /nfs/dbraw/zinc/29/24/96/569292496.db2.gz WCBJXWXDBOPEML-QGZVFWFLSA-N 0 1 420.941 3.167 50 0 HGAAMN Cc1ccc(C(=O)/N=c2\sc3cc(C)ccc3n2[C@@H](C)C(=O)NCCN(C)C)cc1 ZINC000037428471 569298743 /nfs/dbraw/zinc/29/87/43/569298743.db2.gz XVONOJMYXHXYOG-KZIRDTCISA-N 0 1 424.570 3.300 50 0 HGAAMN C[C@@H](NCc1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000007780423 569309634 /nfs/dbraw/zinc/30/96/34/569309634.db2.gz XYSVEYIZQRITKE-OAHLLOKOSA-N 0 1 407.561 3.040 50 0 HGAAMN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCC[C@@H](C)C1 ZINC000002296098 569369618 /nfs/dbraw/zinc/36/96/18/569369618.db2.gz MIJMCROWXZIUCA-LLVKDONJSA-N 0 1 408.296 3.387 50 0 HGAAMN O=S(=O)(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccccc1F ZINC000013009990 569407214 /nfs/dbraw/zinc/40/72/14/569407214.db2.gz PTCJXIJHNHAZQE-UHFFFAOYSA-N 0 1 410.434 3.346 50 0 HGAAMN Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013068783 569408428 /nfs/dbraw/zinc/40/84/28/569408428.db2.gz RPFBVQPIVYJZTG-SFHVURJKSA-N 0 1 415.559 3.239 50 0 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CC1CCN(C(=O)CSc2nc(-c3cc(Br)ccc3O)n[nH]2)CC1 ZINC000009295428 571245839 /nfs/dbraw/zinc/24/58/39/571245839.db2.gz JWSTZPJTQFFZFD-UHFFFAOYSA-N 0 1 411.325 3.290 50 0 HGAAMN Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc2c1CCN(Cc1ccncc1)C2 ZINC000069966771 571251604 /nfs/dbraw/zinc/25/16/04/571251604.db2.gz LEGLPKWTIOOWHJ-UHFFFAOYSA-N 0 1 416.529 3.201 50 0 HGAAMN COc1ccc(-c2n[nH]c(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)n2)cc1 ZINC000009647636 571276562 /nfs/dbraw/zinc/27/65/62/571276562.db2.gz MPRLWGNONHRSFH-ZDUSSCGKSA-N 0 1 423.498 3.336 50 0 HGAAMN Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c(C)n1C ZINC000009684823 571279540 /nfs/dbraw/zinc/27/95/40/571279540.db2.gz GCMANDYPHYYPAJ-UHFFFAOYSA-N 0 1 413.902 3.471 50 0 HGAAMN Cc1ccc2nc(NC(=O)CSC3=Nc4ccccc4S(=O)(=O)N3)sc2c1 ZINC000009708794 571281004 /nfs/dbraw/zinc/28/10/04/571281004.db2.gz AACFQRSXNRRBLP-UHFFFAOYSA-N 0 1 418.525 3.447 50 0 HGAAMN COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3cccc(F)c3)cs2)cc1 ZINC000009828646 571286983 /nfs/dbraw/zinc/28/69/83/571286983.db2.gz WEJODKAFBFTGLP-UHFFFAOYSA-N 0 1 421.475 3.273 50 0 HGAAMN COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3cccc(C)c3)cs2)cc1 ZINC000009828645 571287064 /nfs/dbraw/zinc/28/70/64/571287064.db2.gz DAPGLLSBFWCVMS-UHFFFAOYSA-N 0 1 417.512 3.442 50 0 HGAAMN O=c1c2ccccc2[nH]c(=S)n1Cc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000010352650 571301193 /nfs/dbraw/zinc/30/11/93/571301193.db2.gz QVSCMPNBOXSRMX-UHFFFAOYSA-N 0 1 415.540 3.282 50 0 HGAAMN Cc1ccc2nc(C3CN(S(=O)(=O)c4ccc(Br)cc4)C3)[nH]c2c1 ZINC000077190837 571312233 /nfs/dbraw/zinc/31/22/33/571312233.db2.gz OAUBBNBXJISWER-UHFFFAOYSA-N 0 1 406.305 3.422 50 0 HGAAMN CC(C)Cn1c2ccccc2nc(-c2ccc(C(=O)N3CCCN(C)CC3)cc2)c1=O ZINC000033298528 571316118 /nfs/dbraw/zinc/31/61/18/571316118.db2.gz AOUZSMPRGLRHEW-UHFFFAOYSA-N 0 1 418.541 3.497 50 0 HGAAMN