smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC1=NC(N)=C(S(=O)(=O)c2ccccc2)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000000701945 193899489 /nfs/dbraw/zinc/89/94/89/193899489.db2.gz IYWYXEAPLCILFE-IFMALSPDSA-N 0 1 482.583 3.273 50 0 JGAAMN COc1ccc(NS(=O)(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1 ZINC000003087905 194224621 /nfs/dbraw/zinc/22/46/21/194224621.db2.gz WJRSVCLVBUQFEG-UHFFFAOYSA-N 0 1 478.548 3.314 50 0 JGAAMN CCN(Cc1ccccc1)C(=O)COC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O ZINC000003240975 194248288 /nfs/dbraw/zinc/24/82/88/194248288.db2.gz VWSKPCSBTMNNOX-UHFFFAOYSA-N 0 1 498.557 3.407 50 0 JGAAMN O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1F ZINC000003410940 194315631 /nfs/dbraw/zinc/31/56/31/194315631.db2.gz ZMXXKJKQMWQQBM-UHFFFAOYSA-N 0 1 486.477 3.193 50 0 JGAAMN Oc1c(I)cc(I)cc1I ZINC000003861066 194364947 /nfs/dbraw/zinc/36/49/47/194364947.db2.gz 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/nfs/dbraw/zinc/34/37/20/195343720.db2.gz BPWWKXCDNJUSDQ-VWLOTQADSA-N 0 1 462.594 3.238 50 0 JGAAMN O=C(CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Cl)cn3)ccc21)N1CCCCC1 ZINC000095857709 129925877 /nfs/dbraw/zinc/92/58/77/129925877.db2.gz OBNGLXKUBHEQBG-UHFFFAOYSA-N 0 1 480.999 3.315 50 0 JGAAMN Cc1cccc(N2CCN(C(=O)C3CCN(C(=O)c4cc(-c5cccnc5)[nH]n4)CC3)CC2)c1C ZINC000096324674 130070751 /nfs/dbraw/zinc/07/07/51/130070751.db2.gz XLCNLRJEPMBBGB-UHFFFAOYSA-N 0 1 472.593 3.290 50 0 JGAAMN C[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccccc4Cl)ccc3n2)CC1 ZINC000096493313 130106783 /nfs/dbraw/zinc/10/67/83/130106783.db2.gz BLVZGMOIXJJERJ-UHFFFAOYSA-N 0 1 460.943 3.139 50 0 JGAAMN CC(C)OC[C@@H](O)CN(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N(C)C(C)C ZINC000036248942 519771832 /nfs/dbraw/zinc/77/18/32/519771832.db2.gz UNXNZLRMVCHEPY-QHCPKHFHSA-N 0 1 474.646 3.106 50 0 JGAAMN CCOC(=O)C1C(CN2CCN(C(=O)OC(C)(C)C)CC2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067205197 520511453 /nfs/dbraw/zinc/51/14/53/520511453.db2.gz 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CC(C)CNC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000033034347 519741655 /nfs/dbraw/zinc/74/16/55/519741655.db2.gz FTZZCTBKWPTIAP-UHFFFAOYSA-N 0 1 468.982 3.075 50 0 JGAAMN CC(C)COC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249823 519755916 /nfs/dbraw/zinc/75/59/16/519755916.db2.gz BPCDMLHUWWRWTG-GOTSBHOMSA-N 0 1 473.614 3.193 50 0 JGAAMN CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C1CC1 ZINC000036309485 520151396 /nfs/dbraw/zinc/15/13/96/520151396.db2.gz CQSMESSISMEVHJ-OFNKIYASSA-N 0 1 458.624 3.423 50 0 JGAAMN CCCCN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000033033330 520394238 /nfs/dbraw/zinc/39/42/38/520394238.db2.gz NTDJLKZCFRXOEK-UHFFFAOYSA-N 0 1 458.628 3.386 50 0 JGAAMN CCOC(=O)C1=C(CSc2nc(CCSC)c(C)[nH]2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000012412593 520526358 /nfs/dbraw/zinc/52/63/58/520526358.db2.gz LPGVUZWUTISZGS-LJQANCHMSA-N 0 1 490.607 3.316 50 0 JGAAMN CCCCNC(=O)NC(=O)CSc1nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2o1 ZINC000016715748 520638814 /nfs/dbraw/zinc/63/88/14/520638814.db2.gz VAUKZIGVXJLYEO-UHFFFAOYSA-N 0 1 492.579 3.355 50 0 JGAAMN CCOc1ccc(CCNC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1OCC ZINC000016046647 520948821 /nfs/dbraw/zinc/94/88/21/520948821.db2.gz LZFGJLVFDJKRCA-LJQANCHMSA-N 0 1 451.571 3.416 50 0 JGAAMN CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccco4)c(=O)c3c2)cc1 ZINC000008595145 521132393 /nfs/dbraw/zinc/13/23/93/521132393.db2.gz BELJWIQTRDSEQJ-UHFFFAOYSA-N 0 1 467.503 3.251 50 0 JGAAMN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(OC)cc3)[nH]c2=O)cc1 ZINC000016840689 521213612 /nfs/dbraw/zinc/21/36/12/521213612.db2.gz OXUMEXKKQPFZPH-UHFFFAOYSA-N 0 1 475.548 3.153 50 0 JGAAMN CCOc1ccccc1N1CCN([C@H]2CCc3c(c(C(=O)N4CCSCC4)nn3CC)C2)CC1 ZINC000014754270 521517819 /nfs/dbraw/zinc/51/78/19/521517819.db2.gz ABUKBEJWFLDVNS-FQEVSTJZSA-N 0 1 483.682 3.170 50 0 JGAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@@H](O)COC ZINC000036309640 521536366 /nfs/dbraw/zinc/53/63/66/521536366.db2.gz LJHFGSSGQUYKDI-NQIIRXRSSA-N 0 1 450.576 3.111 50 0 JGAAMN CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nnc(SCc3ccccc3)s2)n1 ZINC000016752990 521694803 /nfs/dbraw/zinc/69/48/03/521694803.db2.gz GUYYGFBATUFWFV-UHFFFAOYSA-N 0 1 455.974 3.320 50 0 JGAAMN CCc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(OC)c(OC)c3)c(=O)[nH]2)c1 ZINC000016841220 521753209 /nfs/dbraw/zinc/75/32/09/521753209.db2.gz ZUOHOYWDHJSKAA-UHFFFAOYSA-N 0 1 489.575 3.325 50 0 JGAAMN COC(=O)c1c(OC[C@H]2CCCCO2)cc(=O)n2c1CCN(Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000019219527 521781157 /nfs/dbraw/zinc/78/11/57/521781157.db2.gz YDAVOYLHXPNZJM-OAQYLSRUSA-N 0 1 492.576 3.031 50 0 JGAAMN COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1cccc(Cn2cccn2)c1 ZINC000048353767 521800193 /nfs/dbraw/zinc/80/01/93/521800193.db2.gz XRZCGWSDQRCPOF-UHFFFAOYSA-N 0 1 450.314 3.281 50 0 JGAAMN COC(=O)c1cc(CNC(=O)c2ccccn2)cc(NS(=O)(=O)c2ccccc2Cl)c1 ZINC000012278425 521853686 /nfs/dbraw/zinc/85/36/86/521853686.db2.gz IECOTTYWFUICSJ-UHFFFAOYSA-N 0 1 459.911 3.252 50 0 JGAAMN COc1c2c(cc3c1[C@H](c1c([O-])n(-c4ccccc4)c(=O)n(-c4ccccc4)c1=O)[N@H+](C)CC3)OCO2 ZINC000020410597 521890514 /nfs/dbraw/zinc/89/05/14/521890514.db2.gz LIZWWWBYVKLUOY-HSZRJFAPSA-N 0 1 499.523 3.009 50 0 biogenic JGAAMN COc1c2c(cc3c1[C@H](c1c([O-])n(-c4ccccc4)c(=O)n(-c4ccccc4)c1=O)[N@@H+](C)CC3)OCO2 ZINC000020410597 521890528 /nfs/dbraw/zinc/89/05/28/521890528.db2.gz LIZWWWBYVKLUOY-HSZRJFAPSA-N 0 1 499.523 3.009 50 0 biogenic JGAAMN CC[C@@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000033034048 522216032 /nfs/dbraw/zinc/21/60/32/522216032.db2.gz OQFQVBSRRYCJQD-LJQANCHMSA-N 0 1 458.628 3.351 50 0 JGAAMN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(CCN2CCCC2)C3=O)cc1 ZINC000021853269 523120945 /nfs/dbraw/zinc/12/09/45/523120945.db2.gz DYPNCHWCHIEEBM-HHHXNRCGSA-N 0 1 479.625 3.318 50 0 JGAAMN CCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)COc3ccccc3OC)ccc21 ZINC000022936209 523191198 /nfs/dbraw/zinc/19/11/98/523191198.db2.gz DARWTLRBHNVRSD-UHFFFAOYSA-N 0 1 451.571 3.220 50 0 JGAAMN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1nc3ccccc3s1)CC2 ZINC000014743787 523803213 /nfs/dbraw/zinc/80/32/13/523803213.db2.gz LKHLXVBUSVTNDK-UHFFFAOYSA-N 0 1 465.579 3.137 50 0 JGAAMN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1c(F)cccc1Cl)CC2 ZINC000014742567 523804514 /nfs/dbraw/zinc/80/45/14/523804514.db2.gz DWEJSAPNYVZOPF-UHFFFAOYSA-N 0 1 460.937 3.320 50 0 JGAAMN CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CCN2CCN(C)CC2)C3=O)s1 ZINC000021810072 523847050 /nfs/dbraw/zinc/84/70/50/523847050.db2.gz DMCACIKSHWLXRE-SANMLTNESA-N 0 1 485.698 3.176 50 0 JGAAMN CN1CCN(CCNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)CC1 ZINC000020508701 523901085 /nfs/dbraw/zinc/90/10/85/523901085.db2.gz TZVSRRJSNOEQKN-DNQXCXABSA-N 0 1 466.651 3.335 50 0 JGAAMN CN1CCN([C@@H](CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)OCO3)CC1 ZINC000022798359 523918168 /nfs/dbraw/zinc/91/81/68/523918168.db2.gz VGOMMDKGNYANMJ-DEOSSOPVSA-N 0 1 479.602 3.349 50 0 JGAAMN CC[C@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000033033978 523998176 /nfs/dbraw/zinc/99/81/76/523998176.db2.gz ARUDDXWDRNCCOS-SFHVURJKSA-N 0 1 470.639 3.304 50 0 JGAAMN COc1ccccc1N1CCN(CCCNC(=O)c2noc3c2COc2ccc(C)cc2-3)CC1 ZINC000020510088 524554642 /nfs/dbraw/zinc/55/46/42/524554642.db2.gz VWWZUQOKSHULGP-UHFFFAOYSA-N 0 1 462.550 3.493 50 0 JGAAMN Cc1cc(C)nc(-c2cccc3c2O[C@H](CNC(=O)c2ccc(N4CCN(C)CC4)cc2)C3)n1 ZINC000014994332 524574018 /nfs/dbraw/zinc/57/40/18/524574018.db2.gz AHNYFFYZCSRPPE-QHCPKHFHSA-N 0 1 457.578 3.246 50 0 JGAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccco3)cc2)n1 ZINC000006088838 524590626 /nfs/dbraw/zinc/59/06/26/524590626.db2.gz NUILRGLEXZWQTO-JXMROGBWSA-N 0 1 457.537 3.014 50 0 JGAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCN(c3ccccn3)CC2)ccc1C ZINC000016638649 524641450 /nfs/dbraw/zinc/64/14/50/524641450.db2.gz QMIHOHOZFLCWPK-UHFFFAOYSA-N 0 1 466.563 3.162 50 0 JGAAMN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](CC(=O)N1CCCC1)CS2 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1 475.622 3.446 50 0 JGAAMN CN1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NCCc2ccccn2)CC1 ZINC000023361870 556049245 /nfs/dbraw/zinc/04/92/45/556049245.db2.gz SOVJZLBJZNZCNQ-UHFFFAOYSA-N 0 1 462.569 3.373 50 0 JGAAMN CSCC[C@H]1N[C@@]2(c3cc(C)cc(C)c3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015968461 556094447 /nfs/dbraw/zinc/09/44/47/556094447.db2.gz JEAYZIJNXCKTJG-YRKFHGTDSA-N 0 1 463.603 3.020 50 0 biogenic JGAAMN O=C1Nc2ccccc2[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000015971747 556096726 /nfs/dbraw/zinc/09/67/26/556096726.db2.gz BKZNMBPJPLQYGO-DFIMXKNXSA-N 0 1 480.499 3.475 50 0 JGAAMN CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)ccc3OC)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000015999109 556104201 /nfs/dbraw/zinc/10/42/01/556104201.db2.gz YYPVCPVJHWPEMG-DNBVQBCISA-N 0 1 465.937 3.194 50 0 JGAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)N[C@@]32c3ccccc3NC2=O)c(Br)c1 ZINC000016011437 556110248 /nfs/dbraw/zinc/11/02/48/556110248.db2.gz 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ZINC000019226839 556336131 /nfs/dbraw/zinc/33/61/31/556336131.db2.gz KFOUTDMWVLQOTH-VWLOTQADSA-N 0 1 477.584 3.229 50 0 JGAAMN CCOC(=O)C1=C(CN(C)Cc2c(Cl)nc3sccn23)NC(=O)N[C@@H]1c1ccccc1 ZINC000030006067 556362237 /nfs/dbraw/zinc/36/22/37/556362237.db2.gz XGQSNPQELJAFLK-QGZVFWFLSA-N 0 1 459.959 3.352 50 0 JGAAMN COc1ccccc1NC(=O)c1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1 ZINC000032870731 556517848 /nfs/dbraw/zinc/51/78/48/556517848.db2.gz MUTNZPKAQPBFKI-UHFFFAOYSA-N 0 1 459.550 3.493 50 0 JGAAMN Cc1cnc2c(cccc2S(=O)(=O)Nc2cccc(N3C(=O)N(C4CC4)C(=O)C3O)c2)c1 ZINC000032932367 556547396 /nfs/dbraw/zinc/54/73/96/556547396.db2.gz RRFZXXABNCXFGB-UHFFFAOYSA-N 0 1 452.492 3.043 50 0 JGAAMN CCOC(=O)C1C(CN(Cc2ccc(O)cc2)C2CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000032936857 556552090 /nfs/dbraw/zinc/55/20/90/556552090.db2.gz VWMKMDFXXMQVBP-HSZRJFAPSA-N 0 1 451.523 3.237 50 0 JGAAMN Cc1c(C)n(-c2ccc(Br)cc2)c2nc3c(c(=O)n(CCN4CCCCC4)c(=O)n3C)n12 ZINC000008706570 569594353 /nfs/dbraw/zinc/59/43/53/569594353.db2.gz 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/nfs/dbraw/zinc/65/30/70/569653070.db2.gz JCEUQVSHTDKAFB-UHFFFAOYSA-N 0 1 478.571 3.178 50 0 JGAAMN COCCNC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000065074571 569657145 /nfs/dbraw/zinc/65/71/45/569657145.db2.gz AAJSNKYEXNERMQ-UHFFFAOYSA-N 0 1 487.534 3.068 50 0 JGAAMN O=C(CCC1CCCC1)N1CCc2n[nH]c(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C1 ZINC000034790070 569660267 /nfs/dbraw/zinc/66/02/67/569660267.db2.gz VWLZJYYJDTVOPJ-UHFFFAOYSA-N 0 1 453.562 3.366 50 0 JGAAMN Cc1ccc(C(=O)N2CCc3n[nH]c(C(=O)N4CCN(c5ccc(F)cc5)CC4)c3C2)cc1C ZINC000034797400 569660915 /nfs/dbraw/zinc/66/09/15/569660915.db2.gz VIZQJAVIKIEVTK-UHFFFAOYSA-N 0 1 461.541 3.327 50 0 JGAAMN CC(=O)c1ccc(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)sc2C)cc1 ZINC000065097583 569661287 /nfs/dbraw/zinc/66/12/87/569661287.db2.gz NWIYFFWMLAFIBI-UHFFFAOYSA-N 0 1 460.537 3.346 50 0 JGAAMN Cc1sc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)Nc1cccc2c1CCCC2 ZINC000065097759 569661637 /nfs/dbraw/zinc/66/16/37/569661637.db2.gz ZUZLJRLQWRNYTF-UHFFFAOYSA-N 0 1 488.591 3.259 50 0 JGAAMN CCN1CCN(c2c(CN(CCOC)S(=O)(=O)c3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034831892 569664258 /nfs/dbraw/zinc/66/42/58/569664258.db2.gz MHVBGKNZRLJLEW-UHFFFAOYSA-N 0 1 497.665 3.160 50 0 JGAAMN CCCCNC(=O)N(CCOC)Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1 ZINC000034831886 569664284 /nfs/dbraw/zinc/66/42/84/569664284.db2.gz PQMMZPOJOSWBDZ-UHFFFAOYSA-N 0 1 474.625 3.420 50 0 JGAAMN COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)C1CCC1 ZINC000034834574 569664769 /nfs/dbraw/zinc/66/47/69/569664769.db2.gz QHLCMCVLLXFSFY-UHFFFAOYSA-N 0 1 457.594 3.237 50 0 JGAAMN COc1cccc(N2CCN(c3nnc(C(=O)N4CCN(C(C)C)CC4)c4ccccc43)CC2)c1 ZINC000034839670 569666959 /nfs/dbraw/zinc/66/69/59/569666959.db2.gz BPMCQQIMHUKACV-UHFFFAOYSA-N 0 1 474.609 3.131 50 0 JGAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cn2C)sc1C(=O)N1CCOCC1 ZINC000065137546 569668527 /nfs/dbraw/zinc/66/85/27/569668527.db2.gz VZGATLIXOVAQIP-UHFFFAOYSA-N 0 1 480.999 3.384 50 0 JGAAMN 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Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000002626737 554250180 /nfs/dbraw/zinc/25/01/80/554250180.db2.gz DSMOKPMQJPDMRC-UHFFFAOYSA-N 0 1 462.535 3.391 50 0 JGAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3cccs3)cc2)n1 ZINC000006060038 554500996 /nfs/dbraw/zinc/50/09/96/554500996.db2.gz WHINDUDWYYJNQR-JXMROGBWSA-N 0 1 473.605 3.482 50 0 JGAAMN CCOc1ccc2nc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)[nH]c2c1 ZINC000006152862 554512169 /nfs/dbraw/zinc/51/21/69/554512169.db2.gz MJSFDGQYGZQIME-UHFFFAOYSA-N 0 1 460.581 3.477 50 0 JGAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000006259853 554523184 /nfs/dbraw/zinc/52/31/84/554523184.db2.gz CKNHEHGGFFJNQZ-INIZCTEOSA-N 0 1 496.541 3.336 50 0 JGAAMN COc1cc2c(c3oc(=O)c(CCC(=O)N4CCc5nc[nH]c5C4)c(C)c13)CCC(C)(C)O2 ZINC000008765138 554665854 /nfs/dbraw/zinc/66/58/54/554665854.db2.gz SIJKBQQMVKLSPM-UHFFFAOYSA-N 0 1 451.523 3.454 50 0 biogenic JGAAMN 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/nfs/dbraw/zinc/07/47/03/555074703.db2.gz JGJROKHNAWOECB-UHFFFAOYSA-N 0 1 465.591 3.148 50 0 JGAAMN COc1cc(OC)cc(-c2n[nH]c(NC(=O)[C@H]3CCCN(c4cnc5ccccc5n4)C3)n2)c1 ZINC000009319772 555094524 /nfs/dbraw/zinc/09/45/24/555094524.db2.gz FOEHZFRRSBZMBP-HNNXBMFYSA-N 0 1 459.510 3.287 50 0 JGAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CNC(=O)c2ccco2)ccc1N1CCCC1 ZINC000009378541 555139946 /nfs/dbraw/zinc/13/99/46/555139946.db2.gz FLJAJMGAGLOPSN-UHFFFAOYSA-N 0 1 498.561 3.058 50 0 JGAAMN O=C(CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009388062 555149668 /nfs/dbraw/zinc/14/96/68/555149668.db2.gz VIZLMBAWPBFELP-OAQYLSRUSA-N 0 1 493.560 3.201 50 0 JGAAMN CC1(C)Cc2sc3c(c2CO1)n(CCN1CCCC1)c(=O)n(CCc1ccccc1)c3=O ZINC000009435567 555206943 /nfs/dbraw/zinc/20/69/43/555206943.db2.gz PCBRRAQWUGFUMC-UHFFFAOYSA-N 0 1 453.608 3.415 50 0 JGAAMN CS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1 ZINC000009442624 555215014 /nfs/dbraw/zinc/21/50/14/555215014.db2.gz OSZITBIVVDSNKW-UHFFFAOYSA-N 0 1 469.176 3.416 50 0 JGAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccccc2)CC1 ZINC000009467690 555245490 /nfs/dbraw/zinc/24/54/90/555245490.db2.gz CWFPEBMZLBTNTM-UHFFFAOYSA-N 0 1 456.612 3.255 50 0 JGAAMN COc1ccc(C(=O)N2CCO[C@H](C)C2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000009468145 555247016 /nfs/dbraw/zinc/24/70/16/555247016.db2.gz ZMUOLYKTDIAGFP-CYBMUJFWSA-N 0 1 469.357 3.119 50 0 JGAAMN O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000009477457 555258448 /nfs/dbraw/zinc/25/84/48/555258448.db2.gz YIHGCAKDGSIWTM-NRFANRHFSA-N 0 1 498.674 3.150 50 0 JGAAMN Nc1nc(SCC(=O)N2CCC(Cc3ccccc3)CC2)[nH]c(=O)c1NC(=O)c1ccccc1 ZINC000009518021 555311799 /nfs/dbraw/zinc/31/17/99/555311799.db2.gz BSRQMZGJZOTPJP-UHFFFAOYSA-N 0 1 477.590 3.178 50 0 JGAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1nsc(-c2ccccc2)n1 ZINC000009556740 555351735 /nfs/dbraw/zinc/35/17/35/555351735.db2.gz HKTGQAPDSQHXCE-UHFFFAOYSA-N 0 1 461.532 3.358 50 0 JGAAMN COc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000009642241 555354387 /nfs/dbraw/zinc/35/43/87/555354387.db2.gz GZJHYGPJWKEUIU-ICSRJNTNSA-N 0 1 475.611 3.418 50 0 JGAAMN O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000009643380 555356245 /nfs/dbraw/zinc/35/62/45/555356245.db2.gz USMVFJMCSNVEDA-UHFFFAOYSA-N 0 1 459.480 3.053 50 0 JGAAMN CCOC(=O)C1C(COC(=O)c2c(C)noc2C(C)C)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000013165079 555367942 /nfs/dbraw/zinc/36/79/42/555367942.db2.gz DOHAHVLUOVDUBI-IBGZPJMESA-N 0 1 457.483 3.143 50 0 JGAAMN Cc1ccc(-c2n[nH]c(SCC(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000009587228 555398391 /nfs/dbraw/zinc/39/83/91/555398391.db2.gz MYELKZJGPHQDLC-IBGZPJMESA-N 0 1 456.593 3.088 50 0 JGAAMN Cc1ccc(C)c(Cn2c(N3CCN(Cc4cc(C)ccc4C)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000009714292 555442658 /nfs/dbraw/zinc/44/26/58/555442658.db2.gz YIHIHLOJMCYBDA-UHFFFAOYSA-N 0 1 486.620 3.027 50 0 JGAAMN CCOC(=O)C1C(COC(=O)C2CCN(C(=O)c3cccs3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000009727227 555460721 /nfs/dbraw/zinc/46/07/21/555460721.db2.gz XCQNQHALEGHYEH-OAQYLSRUSA-N 0 1 497.573 3.015 50 0 JGAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccc(NC(=O)C2=CSCCO2)cc1 ZINC000009738182 555469886 /nfs/dbraw/zinc/46/98/86/555469886.db2.gz BEMJCWNLRMGNEB-UHFFFAOYSA-N 0 1 466.607 3.172 50 0 JGAAMN C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)C[C@@H](C)O1 ZINC000009760926 555485240 /nfs/dbraw/zinc/48/52/40/555485240.db2.gz HRIXCWNGKREIEN-HZPDHXFCSA-N 0 1 451.614 3.167 50 0 JGAAMN COc1ccc2c(CCNC(=O)[C@@H]3CCCN(c4nc(Cl)nc5[nH]cnc54)C3)c[nH]c2c1 ZINC000013553129 555493227 /nfs/dbraw/zinc/49/32/27/555493227.db2.gz LUJYONXRXAPVOH-CQSZACIVSA-N 0 1 453.934 3.072 50 0 JGAAMN COc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1S(=O)(=O)NC1CCCC1 ZINC000009782642 555503580 /nfs/dbraw/zinc/50/35/80/555503580.db2.gz QDYGVLSDWZMQFX-LJQANCHMSA-N 0 1 461.584 3.076 50 0 JGAAMN COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2cccc(C)n2)CC3)o1 ZINC000019839874 555508073 /nfs/dbraw/zinc/50/80/73/555508073.db2.gz OKASQDCUDKNVEN-OAQYLSRUSA-N 0 1 466.586 3.296 50 0 JGAAMN COc1ccc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c(OC)c1OC ZINC000009805952 555518709 /nfs/dbraw/zinc/51/87/09/555518709.db2.gz DTHLKDSIQRMYIN-UHFFFAOYSA-N 0 1 471.573 3.412 50 0 JGAAMN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NC[C@H](c2ccco2)N2CCCC2)C1=O ZINC000009823618 555525026 /nfs/dbraw/zinc/52/50/26/555525026.db2.gz MNYMRVHPOQORBB-QFQXNSOFSA-N 0 1 460.534 3.153 50 0 JGAAMN Cc1ccc(-c2n[nH]c(S[C@H](CC(=O)NCCN3CCOCC3)c3ccccc3)n2)cc1 ZINC000019881368 555526696 /nfs/dbraw/zinc/52/66/96/555526696.db2.gz LLEHSOKSEBNEQO-OAQYLSRUSA-N 0 1 451.596 3.452 50 0 JGAAMN CN(Cc1ccco1)C(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1=O ZINC000009833879 555536731 /nfs/dbraw/zinc/53/67/31/555536731.db2.gz MOPVCOZIWYBLQZ-UHFFFAOYSA-N 0 1 455.467 3.333 50 0 JGAAMN CCOC(=O)[C@H]1CCCN(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)C1 ZINC000013689392 555582901 /nfs/dbraw/zinc/58/29/01/555582901.db2.gz GEODVBNZHMUACU-KRWDZBQOSA-N 0 1 451.475 3.346 50 0 biogenic JGAAMN COc1cccc2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc21 ZINC000010065775 555613817 /nfs/dbraw/zinc/61/38/17/555613817.db2.gz SBXVEJWXKDCHIM-UHFFFAOYSA-N 0 1 488.635 3.298 50 0 JGAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3Br)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000013788075 555619730 /nfs/dbraw/zinc/61/97/30/555619730.db2.gz IUUJFQRVSJGNKF-CMCWBKRRSA-N 0 1 480.362 3.497 50 0 JGAAMN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccco1 ZINC000013839362 555631017 /nfs/dbraw/zinc/63/10/17/555631017.db2.gz NWBCSWZYBNKOGO-BJKOFHAPSA-N 0 1 486.572 3.393 50 0 JGAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000020105014 555638048 /nfs/dbraw/zinc/63/80/48/555638048.db2.gz LRXORLSFCRUXEH-FQLXRVMXSA-N 0 1 494.639 3.457 50 0 JGAAMN O=c1c2cc(NC(=S)NCCN3CCN(Cc4ccccc4)CC3)ccc2nc2n1CCCCC2 ZINC000020105243 555638392 /nfs/dbraw/zinc/63/83/92/555638392.db2.gz VTQZHXKFIZKSGL-UHFFFAOYSA-N 0 1 490.677 3.227 50 0 JGAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)NCc3cccs3)cc12 ZINC000020136299 555660689 /nfs/dbraw/zinc/66/06/89/555660689.db2.gz LUSNHPSUCBOZJA-UHFFFAOYSA-N 0 1 451.596 3.392 50 0 JGAAMN CCC(=O)N1CCc2cc(S(=O)(=O)NCCN3CCC(Cc4ccccc4)CC3)ccc21 ZINC000020181997 555689638 /nfs/dbraw/zinc/68/96/38/555689638.db2.gz SHRNNXLUCSTMCZ-UHFFFAOYSA-N 0 1 455.624 3.219 50 0 JGAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214398 555709416 /nfs/dbraw/zinc/70/94/16/555709416.db2.gz ORCAMNLZJCICQH-RUZDIDTESA-N 0 1 478.593 3.467 50 0 JGAAMN O=C(CN1CCN(C(=O)CN[C@@H](c2cccs2)c2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000014183608 555725118 /nfs/dbraw/zinc/72/51/18/555725118.db2.gz LKRPNZUJLOOYTF-RUZDIDTESA-N 0 1 466.582 3.349 50 0 JGAAMN CCOC(=O)C1C(COC(=O)c2cc(C3CC3)nc3onc(C)c32)=NC(=O)N[C@@H]1c1ccccc1 ZINC000014244992 555746844 /nfs/dbraw/zinc/74/68/44/555746844.db2.gz NRCDKSXZIQVLBZ-OAQYLSRUSA-N 0 1 476.489 3.437 50 0 JGAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCC(=O)N4CCN(c5ccccc5F)CC4)c3=O)c2c1 ZINC000020330408 555775568 /nfs/dbraw/zinc/77/55/68/555775568.db2.gz CLQUMTOERIFOMY-UHFFFAOYSA-N 0 1 481.553 3.427 50 0 JGAAMN CCOC(=O)C1C(CN2CCN(c3ccc(C)cc3C)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530920 555798484 /nfs/dbraw/zinc/79/84/84/555798484.db2.gz MEJBBTXFYUFGIW-RUZDIDTESA-N 0 1 478.593 3.305 50 0 JGAAMN CCOC(=O)C1C(CN2CCN(c3cc(C)ccc3C)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530922 555798573 /nfs/dbraw/zinc/79/85/73/555798573.db2.gz UGHPFJRNGCZORD-RUZDIDTESA-N 0 1 478.593 3.305 50 0 JGAAMN CCOC(=O)C1=C(CN2CCN(c3ccccc3F)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560296 555811043 /nfs/dbraw/zinc/81/10/43/555811043.db2.gz WASOHGDVHZYMHZ-HSZRJFAPSA-N 0 1 452.530 3.127 50 0 JGAAMN CN1CCN(c2ccc(NC(=O)CCNS(=O)(=O)c3ccc(C4CCCCC4)cc3)cn2)CC1 ZINC000014521246 555816229 /nfs/dbraw/zinc/81/62/29/555816229.db2.gz FXVRNZPKBXWWGW-UHFFFAOYSA-N 0 1 485.654 3.188 50 0 JGAAMN O=C(c1cc(C(F)(F)F)[nH]n1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2cccnc2)C1 ZINC000014530598 555817634 /nfs/dbraw/zinc/81/76/34/555817634.db2.gz IDXUGNDGPNATGL-QGZVFWFLSA-N 0 1 465.476 3.026 50 0 JGAAMN COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cccc(F)c1F)CC2 ZINC000014531485 555818669 /nfs/dbraw/zinc/81/86/69/555818669.db2.gz VIMAYCSBSZNNLE-UHFFFAOYSA-N 0 1 473.520 3.419 50 0 JGAAMN CC[C@@H](C)N(CCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)Cc1cccs1 ZINC000020583719 555837391 /nfs/dbraw/zinc/83/73/91/555837391.db2.gz QNFQCJRFTHEHLW-CQSZACIVSA-N 0 1 452.627 3.139 50 0 JGAAMN CCc1ccccc1NC(=O)CN1CCN(C(=O)CN2CCC[C@H]2c2ccc(OC)cc2)CC1 ZINC000021581153 555852875 /nfs/dbraw/zinc/85/28/75/555852875.db2.gz VSRMIUAACRVNJD-VWLOTQADSA-N 0 1 464.610 3.177 50 0 JGAAMN CCCc1nnc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3F)ncc2Cl)s1 ZINC000011913891 555863614 /nfs/dbraw/zinc/86/36/14/555863614.db2.gz NVYBCMHTCAMRPP-UHFFFAOYSA-N 0 1 455.924 3.299 50 0 JGAAMN O=C1Nc2ccccc2[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000015303567 555893989 /nfs/dbraw/zinc/89/39/89/555893989.db2.gz IQHSMWFULVSKCF-DFIMXKNXSA-N 0 1 462.509 3.336 50 0 biogenic JGAAMN COc1cc(=O)n2c(c1C(=O)NCc1nccs1)CCN(CC[C@@H](C)c1ccc(C)o1)CC2 ZINC000012159623 555930340 /nfs/dbraw/zinc/93/03/40/555930340.db2.gz CQLRAMYTHBVOMN-MRXNPFEDSA-N 0 1 470.595 3.197 50 0 JGAAMN COCCCN1C(=O)C[C@](CC(=O)N[C@@H](C)c2nc3ccc(C)cc3[nH]2)(c2ccccc2)C1=O ZINC000012181337 555935419 /nfs/dbraw/zinc/93/54/19/555935419.db2.gz ITBRMMRYDRJMHA-HFJWLAOPSA-N 0 1 462.550 3.172 50 0 JGAAMN COc1cccc(-c2cc(C(=O)N3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)n[nH]2)c1 ZINC000015679317 555944757 /nfs/dbraw/zinc/94/47/57/555944757.db2.gz HQKVPUPOPNNCBD-UHFFFAOYSA-N 0 1 466.538 3.069 50 0 JGAAMN COc1ccc(CN2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)c(OC)c1OC ZINC000015679364 555944856 /nfs/dbraw/zinc/94/48/56/555944856.db2.gz IBYSMHQGVBDNQA-UHFFFAOYSA-N 0 1 454.502 3.200 50 0 JGAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000015680637 555949041 /nfs/dbraw/zinc/94/90/41/555949041.db2.gz QLOHCXWRVBKNNB-UHFFFAOYSA-N 0 1 454.936 3.077 50 0 JGAAMN COc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccccc4Br)CC3)n[nH]2)cc1 ZINC000015680732 555949071 /nfs/dbraw/zinc/94/90/71/555949071.db2.gz OFJGDPOXUYSIBH-UHFFFAOYSA-N 0 1 469.339 3.446 50 0 JGAAMN O=C(Nc1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1ccc([C@H]2CNC(=O)C2)cc1 ZINC000012375376 555962454 /nfs/dbraw/zinc/96/24/54/555962454.db2.gz SNLUJZNQVVRRTI-MRXNPFEDSA-N 0 1 453.495 3.482 50 0 JGAAMN O=C(Nc1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1ccc([C@@H]2CNC(=O)C2)cc1 ZINC000012375377 555962553 /nfs/dbraw/zinc/96/25/53/555962553.db2.gz SNLUJZNQVVRRTI-INIZCTEOSA-N 0 1 453.495 3.482 50 0 JGAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000015728133 555968035 /nfs/dbraw/zinc/96/80/35/555968035.db2.gz HXRFGSGGNALXCA-HXUWFJFHSA-N 0 1 497.644 3.013 50 0 JGAAMN CC(C)(C)c1ccc(OCCOC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022916659 555970688 /nfs/dbraw/zinc/97/06/88/555970688.db2.gz ALGGZBCALNHNMI-QHCPKHFHSA-N 0 1 470.610 3.287 50 0 JGAAMN CCOC(=O)c1sc2nc(C(Cl)(Cl)Cl)n(CN3CCN(CC)CC3)c(=O)c2c1C ZINC000022925064 555977422 /nfs/dbraw/zinc/97/74/22/555977422.db2.gz GPJZUYNYNSRURU-UHFFFAOYSA-N 0 1 481.833 3.365 50 0 JGAAMN O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000012450906 555980913 /nfs/dbraw/zinc/98/09/13/555980913.db2.gz AYFLVMPRCARBCT-FQEVSTJZSA-N 0 1 459.579 3.059 50 0 JGAAMN Cc1cc2ccccc2n1-c1ccc(C(=O)N2CCC(C(=O)NCCN3CCN(C)CC3)CC2)s1 ZINC000022937364 555990706 /nfs/dbraw/zinc/99/07/06/555990706.db2.gz PIOJEBQVCMVKAP-UHFFFAOYSA-N 0 1 493.677 3.216 50 0 JGAAMN COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000012521020 555991854 /nfs/dbraw/zinc/99/18/54/555991854.db2.gz SVXBZXQLSIXCKC-HXUWFJFHSA-N 0 1 457.552 3.430 50 0 JGAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cnc4cc(C)nn4c3C)ccc2OC)cc1 ZINC000012526402 555995001 /nfs/dbraw/zinc/99/50/01/555995001.db2.gz HQTNIYANKQTOQE-UHFFFAOYSA-N 0 1 481.534 3.416 50 0 JGAAMN COc1cc(CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc(OC)c1OC ZINC000015856076 556024271 /nfs/dbraw/zinc/02/42/71/556024271.db2.gz SLEZISOVDBWHCJ-UHFFFAOYSA-N 0 1 467.610 3.269 50 0 JGAAMN COc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)n[nH]2)cc1S(=O)(=O)N1CCCC1 ZINC000015860810 556032711 /nfs/dbraw/zinc/03/27/11/556032711.db2.gz OEMYDXVYBNKJPU-UHFFFAOYSA-N 0 1 466.563 3.068 50 0 JGAAMN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CN2CCN(Cc3cccc4ccccc43)CC2)C1=O ZINC000023257540 556036454 /nfs/dbraw/zinc/03/64/54/556036454.db2.gz XMATVOXWWUQEAJ-HHHXNRCGSA-N 0 1 472.545 3.111 50 0 JGAAMN COc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000023687027 556083306 /nfs/dbraw/zinc/08/33/06/556083306.db2.gz PPNCLTJKIBQYEK-UHFFFAOYSA-N 0 1 478.523 3.291 50 0 JGAAMN CCc1ccc2c(c1)[C@]1(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959752 556091650 /nfs/dbraw/zinc/09/16/50/556091650.db2.gz BDZUWLQMKUOURQ-YRIIQKNPSA-N 0 1 479.580 3.455 50 0 biogenic JGAAMN CSCC[C@H]1N[C@]2(c3ccc(C)c(C)c3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015967875 556094045 /nfs/dbraw/zinc/09/40/45/556094045.db2.gz NTSBYAHMGYMEAV-XCBFCAQUSA-N 0 1 463.603 3.020 50 0 biogenic JGAAMN CSCC[C@@H]1N[C@@]2(c3cc(C)cc(C)c3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015968459 556094539 /nfs/dbraw/zinc/09/45/39/556094539.db2.gz JEAYZIJNXCKTJG-LMMUWCHVSA-N 0 1 463.603 3.020 50 0 biogenic JGAAMN CCc1ccc2c(c1)[C@]1(N[C@@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015969640 556095669 /nfs/dbraw/zinc/09/56/69/556095669.db2.gz BOKHKNPWCQWAOW-YRIIQKNPSA-N 0 1 495.579 3.160 50 0 biogenic JGAAMN CCOC(=O)C1C(COC(=O)c2ccc3c(c2)OCCO3)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000012692149 556102469 /nfs/dbraw/zinc/10/24/69/556102469.db2.gz FVOSNOOPTMQFBX-HXUWFJFHSA-N 0 1 472.881 3.139 50 0 JGAAMN CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]21 ZINC000016010000 556109021 /nfs/dbraw/zinc/10/90/21/556109021.db2.gz UUPSIBYMIYARDZ-JVGYHMDPSA-N 0 1 475.492 3.384 50 0 JGAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)cc2)N[C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000016010248 556109881 /nfs/dbraw/zinc/10/98/81/556109881.db2.gz FWHUQHHGXCBGIX-GIRPNKPCSA-N 0 1 471.488 3.007 50 0 JGAAMN CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016012526 556111323 /nfs/dbraw/zinc/11/13/23/556111323.db2.gz DWIDHPPMEKNEDD-UAKAABGRSA-N 0 1 480.362 3.443 50 0 JGAAMN O=C1Nc2ccc(F)cc2[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000016021336 556113696 /nfs/dbraw/zinc/11/36/96/556113696.db2.gz CDNVVDHSNSMDGL-ANARSLNQSA-N 0 1 494.526 3.470 50 0 JGAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016032562 556116726 /nfs/dbraw/zinc/11/67/26/556116726.db2.gz VHRVRCNNHQEDOV-UAKAABGRSA-N 0 1 480.362 3.497 50 0 biogenic JGAAMN CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)C1 ZINC000024061051 556118453 /nfs/dbraw/zinc/11/84/53/556118453.db2.gz QWYJYJCPJFFLCM-KRWDZBQOSA-N 0 1 472.032 3.289 50 0 JGAAMN C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000012916824 556136106 /nfs/dbraw/zinc/13/61/06/556136106.db2.gz GHWATKRMOWFCPD-ZDUSSCGKSA-N 0 1 490.383 3.292 50 0 JGAAMN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000024983285 556168932 /nfs/dbraw/zinc/16/89/32/556168932.db2.gz VQQCCWWMFYIUBJ-SANMLTNESA-N 0 1 496.608 3.111 50 0 JGAAMN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000025155302 556196130 /nfs/dbraw/zinc/19/61/30/556196130.db2.gz HZAADMJMIRYIGG-INIZCTEOSA-N 0 1 450.465 3.239 50 0 JGAAMN CS(=O)(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC000026130409 556250132 /nfs/dbraw/zinc/25/01/32/556250132.db2.gz WVCWNDIWHZJPCU-LJQANCHMSA-N 0 1 480.512 3.459 50 0 JGAAMN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(F)ccc3F)[nH]c2=O)cc1 ZINC000017308141 556256030 /nfs/dbraw/zinc/25/60/30/556256030.db2.gz XZEZHFRLUXMEFI-UHFFFAOYSA-N 0 1 481.502 3.423 50 0 JGAAMN COc1cc(OC)cc(C(=O)N[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)C(C)C)c1 ZINC000026566939 556257035 /nfs/dbraw/zinc/25/70/35/556257035.db2.gz AEKUGJYOHWNBII-XMMPIXPASA-N 0 1 468.598 3.157 50 0 JGAAMN Cc1[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc1Cc1ccccc1 ZINC000013095339 556287079 /nfs/dbraw/zinc/28/70/79/556287079.db2.gz RZGLJCGIIZBYNH-UHFFFAOYSA-N 0 1 488.610 3.073 50 0 JGAAMN CCOC(=O)[C@](NC(=O)c1ccc(F)cc1)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F ZINC000027530867 556291006 /nfs/dbraw/zinc/29/10/06/556291006.db2.gz JKXUMWXWURWTLQ-LAUBAEHRSA-N 0 1 465.403 3.459 50 0 JGAAMN CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCN(CCO)CC1)c1ccccc1S2 ZINC000019338421 556342796 /nfs/dbraw/zinc/34/27/96/556342796.db2.gz JPVCLHBPJSPSOW-UHFFFAOYSA-N 0 1 470.595 3.384 50 0 biogenic JGAAMN COc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c32)ccc1OC(C)C ZINC000031809102 556405807 /nfs/dbraw/zinc/40/58/07/556405807.db2.gz OYAQPQVFXXHDGP-LJQANCHMSA-N 0 1 465.539 3.418 50 0 JGAAMN CCOc1ccc(S(=O)(=O)N2CC[NH+]([C@H](C(=O)[O-])c3c(C)[nH]c4ccccc43)CC2)cc1 ZINC000032096363 556415620 /nfs/dbraw/zinc/41/56/20/556415620.db2.gz IBDJSUMBGNTHQU-QFIPXVFZSA-N 0 1 457.552 3.007 50 0 JGAAMN O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000032781191 556493974 /nfs/dbraw/zinc/49/39/74/556493974.db2.gz ZGRJXLASXCBABF-UHFFFAOYSA-N 0 1 471.957 3.067 50 0 JGAAMN Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000032845976 556509712 /nfs/dbraw/zinc/50/97/12/556509712.db2.gz BEEBCCQKUQTGQT-UHFFFAOYSA-N 0 1 451.512 3.164 50 0 JGAAMN CCc1c(C(N)=O)cnn1-c1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)cc1 ZINC000032915870 556539658 /nfs/dbraw/zinc/53/96/58/556539658.db2.gz GNSVGBXXKXTPLF-UHFFFAOYSA-N 0 1 479.356 3.106 50 0 JGAAMN COc1ccc([C@H](CNC(=O)CSc2nc3nc(C)c(C)c(C)n3n2)N2CCCCC2)cc1 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569589489 /nfs/dbraw/zinc/58/94/89/569589489.db2.gz ITNRSPMYZMWUKH-UHFFFAOYSA-N 0 1 463.549 3.274 50 0 JGAAMN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@@H](C)O)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000057142620 569594516 /nfs/dbraw/zinc/59/45/16/569594516.db2.gz ZXKMVIOQPIHHBP-BASGCRPESA-N 0 1 450.322 3.147 50 0 JGAAMN CCOC(=O)C1C(CN2CCN(c3ccc(C)cc3)CC2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000057414427 569599641 /nfs/dbraw/zinc/59/96/41/569599641.db2.gz IGGQTEUEHHZWPQ-HSZRJFAPSA-N 0 1 452.530 3.127 50 0 JGAAMN CCOC(=O)C1C(CN2CCN(c3cc(C)ccc3C)CC2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414761 569600173 /nfs/dbraw/zinc/60/01/73/569600173.db2.gz PTFMTZQEABTCIU-RUZDIDTESA-N 0 1 478.593 3.305 50 0 JGAAMN CCOC(=O)C1C(CN2CCN(c3ccc(C)cc3)CC2)=NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000057415542 569600813 /nfs/dbraw/zinc/60/08/13/569600813.db2.gz HEKRDTWKQWNWLW-RUZDIDTESA-N 0 1 478.593 3.387 50 0 JGAAMN CCOC(=O)C1C(CN2CCN(c3ccc(C)cc3)CC2)=NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000057415546 569601024 /nfs/dbraw/zinc/60/10/24/569601024.db2.gz HEKRDTWKQWNWLW-VWLOTQADSA-N 0 1 478.593 3.387 50 0 JGAAMN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@H](C)O)N[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000059487383 569605288 /nfs/dbraw/zinc/60/52/88/569605288.db2.gz KLBBJKBCUHASHH-XEUURLQDSA-N 0 1 494.773 3.256 50 0 biogenic JGAAMN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3cc4c(C)nn(CC(C)C)c4s3)C2=O)cc1 ZINC000032997822 569611775 /nfs/dbraw/zinc/61/17/75/569611775.db2.gz ZZPZYJNTWAFOJI-JOCHJYFZSA-N 0 1 455.540 3.183 50 0 JGAAMN O=C(CN1CCN(C(=O)c2[nH]nc3ccccc32)CC1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000062606727 569612938 /nfs/dbraw/zinc/61/29/38/569612938.db2.gz SQKSHTJSBQOZGU-HXUWFJFHSA-N 0 1 488.573 3.353 50 0 JGAAMN O=C(CN1CCN(C(=O)c2[nH]nc3ccccc32)CC1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000062606722 569613027 /nfs/dbraw/zinc/61/30/27/569613027.db2.gz SQKSHTJSBQOZGU-FQEVSTJZSA-N 0 1 488.573 3.353 50 0 JGAAMN COc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(N)=O)cc2)cc1 ZINC000064557876 569618274 /nfs/dbraw/zinc/61/82/74/569618274.db2.gz ROYPQCZBOCMRBS-HXUWFJFHSA-N 0 1 464.499 3.126 50 0 JGAAMN Cc1nnc(C(=O)Nc2cccc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)c2)s1 ZINC000033022634 569619296 /nfs/dbraw/zinc/61/92/96/569619296.db2.gz ZPBMGINOLJTCSE-UHFFFAOYSA-N 0 1 482.585 3.180 50 0 JGAAMN CCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3cc(Cl)c(OC)cc3OC)ccc21 ZINC000064818835 569635379 /nfs/dbraw/zinc/63/53/79/569635379.db2.gz CRIXIFXFVZIKAL-UHFFFAOYSA-N 0 1 484.914 3.019 50 0 JGAAMN Cc1ccc(F)cc1S(=O)(=O)Nc1cc(C(=O)[O-])cnc1N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000064844196 569638407 /nfs/dbraw/zinc/63/84/07/569638407.db2.gz QULFLZKIKANSMS-QGZVFWFLSA-N 0 1 476.574 3.340 50 0 JGAAMN CC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000064844229 569638420 /nfs/dbraw/zinc/63/84/20/569638420.db2.gz QNGGEMAAEBEDTR-SFHVURJKSA-N 0 1 486.594 3.095 50 0 JGAAMN CCc1ccccc1NS(=O)(=O)c1cc2c(cc1Cl)N(Cc1noc(C)n1)C(=O)CO2 ZINC000065022388 569648926 /nfs/dbraw/zinc/64/89/26/569648926.db2.gz FCDCEDXYPOWKCS-UHFFFAOYSA-N 0 1 462.915 3.320 50 0 JGAAMN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4ccc(OC)cc4)c(Cl)cc32)no1 ZINC000065022468 569649067 /nfs/dbraw/zinc/64/90/67/569649067.db2.gz DWYGQIZDQJBIAN-UHFFFAOYSA-N 0 1 478.914 3.020 50 0 JGAAMN COc1ccccc1NS(=O)(=O)c1cc2c(cc1C)N(Cc1noc(C3CCC3)n1)C(=O)CO2 ZINC000065022899 569649732 /nfs/dbraw/zinc/64/97/32/569649732.db2.gz GPZMKRWQXCKXDS-UHFFFAOYSA-N 0 1 484.534 3.381 50 0 JGAAMN CCCc1ccc(S(=O)(=O)[N-]c2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCCC[C@@H]3C)c2)cc1 ZINC000065025303 569650851 /nfs/dbraw/zinc/65/08/51/569650851.db2.gz MVMXUYCGDCRWRA-IBGZPJMESA-N 0 1 485.654 3.259 50 0 JGAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)CCC(=O)OCC ZINC000034831268 569664136 /nfs/dbraw/zinc/66/41/36/569664136.db2.gz GQHLDNYVTFHQCW-UHFFFAOYSA-N 0 1 473.593 3.154 50 0 JGAAMN CN1C(=O)COc2cc(-c3noc(C(=O)NCC4CCN(Cc5ccc(Cl)cc5)CC4)n3)ccc21 ZINC000065137949 569668681 /nfs/dbraw/zinc/66/86/81/569668681.db2.gz SISBVRLJFDPNSV-UHFFFAOYSA-N 0 1 495.967 3.387 50 0 JGAAMN COc1cc(OC)c(NC(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)cc1Cl ZINC000065364674 569675444 /nfs/dbraw/zinc/67/54/44/569675444.db2.gz DGXPFYAEKOPUMM-UHFFFAOYSA-N 0 1 460.966 3.410 50 0 JGAAMN CCOC(=O)C1=C(CN2CCN(c3ccc(C(C)=O)cc3)CC2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000067205254 569678039 /nfs/dbraw/zinc/67/80/39/569678039.db2.gz KSVUPZGVRSMKLP-SANMLTNESA-N 0 1 490.604 3.445 50 0 JGAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2c1cccc2C ZINC000035365908 569682695 /nfs/dbraw/zinc/68/26/95/569682695.db2.gz XMLKRHTXDCOGTH-WUZBCOJSSA-N 0 1 456.546 3.238 50 0 biogenic JGAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2ccc(C)cc21 ZINC000035363919 569682765 /nfs/dbraw/zinc/68/27/65/569682765.db2.gz UOYSFVBRWWUXGQ-ZTSNJNPFSA-N 0 1 456.546 3.238 50 0 biogenic JGAAMN CCOC(=O)C1C(CN2CCN(c3ccc(C)cc3C)CC2)=NC(=O)N[C@@H]1c1ccccc1OC ZINC000067287510 569684458 /nfs/dbraw/zinc/68/44/58/569684458.db2.gz ZEOAULBVVOBMTC-RUZDIDTESA-N 0 1 478.593 3.305 50 0 JGAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3Cl)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000067689609 569689785 /nfs/dbraw/zinc/68/97/85/569689785.db2.gz PBRJOKZXNJAADV-QHCPKHFHSA-N 0 1 484.984 3.342 50 0 JGAAMN CCOC(=O)C1C(CN2CCN(c3ccc(F)cc3)CC2)=NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000067689692 569690116 /nfs/dbraw/zinc/69/01/16/569690116.db2.gz HQMWOQPAHCRQOB-XMMPIXPASA-N 0 1 482.556 3.218 50 0 JGAAMN CCOc1ccccc1[C@H]1NC(=O)N=C(CN2CCN(c3ccc(Cl)cc3)CC2)C1C(=O)OC ZINC000067689718 569690121 /nfs/dbraw/zinc/69/01/21/569690121.db2.gz AMIRMWBQUAYMTE-HSZRJFAPSA-N 0 1 484.984 3.342 50 0 JGAAMN CCCCc1nc2ccc(NC(=O)Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)cc2[nH]1 ZINC000068769597 569692178 /nfs/dbraw/zinc/69/21/78/569692178.db2.gz GYPOJAKNDLICHY-UHFFFAOYSA-N 0 1 486.594 3.116 50 0 JGAAMN COc1ccc(CCN2C[C@@H](C(=O)N3CCCN(Cc4ccc(C)cc4)CC3)CC2=O)cc1OC ZINC000070006577 569694613 /nfs/dbraw/zinc/69/46/13/569694613.db2.gz WLNHKIXIAWIXRH-DEOSSOPVSA-N 0 1 479.621 3.138 50 0 JGAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@H](c1ccc(OCCn3cccn3)cc1)CC(=O)N2 ZINC000072405103 569703858 /nfs/dbraw/zinc/70/38/58/569703858.db2.gz KHRFBMCNHHCGKV-QGZVFWFLSA-N 0 1 455.482 3.246 50 0 JGAAMN CCc1ccc(-c2cc(C(=O)N3CCCN(c4cc(=O)n(C(C)C)c(=O)n4C(C)C)CC3)n[nH]2)cc1 ZINC000085805571 569715505 /nfs/dbraw/zinc/71/55/05/569715505.db2.gz WMOUIXZLFVTNJE-UHFFFAOYSA-N 0 1 492.624 3.477 50 0 JGAAMN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc1OCC(N)=O ZINC000096115566 569734424 /nfs/dbraw/zinc/73/44/24/569734424.db2.gz KZVJDQSDEKWRHT-MRXNPFEDSA-N 0 1 487.464 3.479 50 0 biogenic JGAAMN O=C([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000096683483 569742885 /nfs/dbraw/zinc/74/28/85/569742885.db2.gz RULQETMDOAYGAR-UHFFFAOYSA-N 0 1 495.557 3.237 50 0 JGAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035991334 569744353 /nfs/dbraw/zinc/74/43/53/569744353.db2.gz JLBKOIWTCKCRFO-RUZDIDTESA-N 0 1 462.594 3.326 50 0 JGAAMN CCOC(=O)C1=C(CN2CCN(C)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000035991385 569744497 /nfs/dbraw/zinc/74/44/97/569744497.db2.gz MPFQVHGBSPUKRC-LJQANCHMSA-N 0 1 455.386 3.144 50 0 JGAAMN CCOC(=O)[C@@](NC(=O)c1cccc(F)c1)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F ZINC000100095326 569752913 /nfs/dbraw/zinc/75/29/13/569752913.db2.gz JRGLSQSBYZGBOU-UWJYYQICSA-N 0 1 465.403 3.459 50 0 JGAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3F)C[C@@H]2c2cc(OC)ccc2OC)CC1 ZINC000036341717 569764659 /nfs/dbraw/zinc/76/46/59/569764659.db2.gz WTURWXFWJDSVQU-HSZRJFAPSA-N 0 1 454.546 3.158 50 0 JGAAMN COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1 ZINC000036369929 569773208 /nfs/dbraw/zinc/77/32/08/569773208.db2.gz MAFOKVMBKLXXPT-JOCHJYFZSA-N 0 1 466.494 3.402 50 0 biogenic JGAAMN COc1ccccc1-n1nc(C(=O)c2ccccc2)c2c(O)n(-c3ccccc3OC)c(O)c21 ZINC000100945622 569777260 /nfs/dbraw/zinc/77/72/60/569777260.db2.gz ZUZQEZAJBSNUGJ-FYYLOGMGSA-N 0 1 455.470 3.321 50 0 JGAAMN 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/nfs/dbraw/zinc/82/43/26/555824326.db2.gz WKALFHLPVRQXJC-OAQYLSRUSA-N 0 1 461.566 3.469 50 0 JGAAMN COc1ccccc1CCNC(=O)Cc1ccc(N2CCC(N(C)Cc3cc[nH]n3)CC2)cc1 ZINC000011789846 555824902 /nfs/dbraw/zinc/82/49/02/555824902.db2.gz DEYYTQWMJDEEJH-UHFFFAOYSA-N 0 1 461.610 3.421 50 0 JGAAMN COc1ccc(CC[C@H](C)N2CCc3c(c(C(=O)NCc4ccccc4)nn3CCO)C2)cc1 ZINC000014537079 555826517 /nfs/dbraw/zinc/82/65/17/555826517.db2.gz BOLCACXRWUOIOT-FQEVSTJZSA-N 0 1 462.594 3.193 50 0 JGAAMN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000020574792 555829469 /nfs/dbraw/zinc/82/94/69/555829469.db2.gz KYTHQVLEMHJNFH-UHFFFAOYSA-N 0 1 475.885 3.480 50 0 JGAAMN COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cc(F)ccc1F)CC2 ZINC000014540959 555831111 /nfs/dbraw/zinc/83/11/11/555831111.db2.gz SWBKXYVLBQSLAP-UHFFFAOYSA-N 0 1 473.520 3.419 50 0 JGAAMN COc1cc(=O)n2c(c1C(=O)N(C)Cc1nccs1)CCN(Cc1ccnc3ccccc13)CC2 ZINC000020599513 555840889 /nfs/dbraw/zinc/84/08/89/555840889.db2.gz FKYBJSFVPLICBB-UHFFFAOYSA-N 0 1 489.601 3.192 50 0 JGAAMN Cc1cccc(N2CCN(C(=O)CC[C@@H]3N=C4c5ccccc5NC(=S)N4C3=O)C[C@H]2C)c1 ZINC000020642627 555845747 /nfs/dbraw/zinc/84/57/47/555845747.db2.gz FTMPTGJZCNRJMY-UTKZUKDTSA-N 0 1 461.591 3.180 50 0 JGAAMN COc1cccc2c1OCCCN(C(=O)c1sc3ncnc(N4CCN(C)CC4)c3c1C)C2 ZINC000015008359 555852660 /nfs/dbraw/zinc/85/26/60/555852660.db2.gz OYFCYTGUKJJQMH-UHFFFAOYSA-N 0 1 467.595 3.185 50 0 JGAAMN COc1ccc(NS(=O)(=O)c2cc(N3CCCCS3(=O)=O)ccc2OC)cc1Cl ZINC000012016160 555884626 /nfs/dbraw/zinc/88/46/26/555884626.db2.gz SCSIERNGVOLUJL-UHFFFAOYSA-N 0 1 460.961 3.088 50 0 JGAAMN COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N4CCN(C5CCCC5)CC4)c3C)ncc1CC2 ZINC000012036203 555889359 /nfs/dbraw/zinc/88/93/59/555889359.db2.gz AOYBHIQCTXTDKL-UHFFFAOYSA-N 0 1 472.593 3.445 50 0 JGAAMN O=C(CNC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000015403492 555904236 /nfs/dbraw/zinc/90/42/36/555904236.db2.gz VAUZSZNVJUUEKA-UHFFFAOYSA-N 0 1 467.566 3.038 50 0 JGAAMN COc1cc(CN2CCC([C@@]3(c4ccccn4)NC(=O)N(C[C@H]4CCCO4)C3=O)CC2)ccc1F ZINC000012135020 555913144 /nfs/dbraw/zinc/91/31/44/555913144.db2.gz CFYSVRIELKQDEM-IBVKSMDESA-N 0 1 482.556 3.068 50 0 JGAAMN COCC(=O)Nc1cc2nc(C3CCC3)n(C)c2c(C(=O)N(C)Cc2n[nH]c3c2CCCC3)c1 ZINC000012148951 555920590 /nfs/dbraw/zinc/92/05/90/555920590.db2.gz JLJRPXDYMSDHOM-UHFFFAOYSA-N 0 1 464.570 3.300 50 0 JGAAMN COc1cc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)ccc1O ZINC000012156322 555928403 /nfs/dbraw/zinc/92/84/03/555928403.db2.gz YRYARMDPLMUTCL-GOSISDBHSA-N 0 1 453.543 3.161 50 0 JGAAMN CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1cccc(OCc3ccccc3)c1)CC2 ZINC000012183057 555935789 /nfs/dbraw/zinc/93/57/89/555935789.db2.gz IBSJWIWCFLZKCK-DEOSSOPVSA-N 0 1 483.638 3.162 50 0 JGAAMN CC(=O)Nc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1 ZINC000012190900 555938239 /nfs/dbraw/zinc/93/82/39/555938239.db2.gz RQDDYBFKTPYUQV-LJQANCHMSA-N 0 1 460.582 3.105 50 0 JGAAMN COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)n[nH]2)cc1 ZINC000015679243 555944832 /nfs/dbraw/zinc/94/48/32/555944832.db2.gz SOTXWLUIWWBVFJ-UHFFFAOYSA-N 0 1 466.538 3.069 50 0 JGAAMN COc1ccccc1CN1CCC(CNS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 ZINC000015731078 555973554 /nfs/dbraw/zinc/97/35/54/555973554.db2.gz KXUZUEMBGNTQNL-UHFFFAOYSA-N 0 1 475.636 3.320 50 0 JGAAMN CN1CCN(CCN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCCCC2)CC1 ZINC000022936418 555989019 /nfs/dbraw/zinc/98/90/19/555989019.db2.gz JIUPPQNQOIHKME-MUUNZHRXSA-N 0 1 479.669 3.332 50 0 JGAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1NC(=O)C1=CSCCO1 ZINC000015774197 555992463 /nfs/dbraw/zinc/99/24/63/555992463.db2.gz SZISRUHNJAGXOS-UHFFFAOYSA-N 0 1 484.597 3.311 50 0 JGAAMN COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)[NH+](C)C)cc1 ZINC000012532519 556002992 /nfs/dbraw/zinc/00/29/92/556002992.db2.gz OJJPGQKPEBWMCJ-QFIPXVFZSA-N 0 1 497.573 3.257 50 0 JGAAMN COc1ccc2c(c1)C[C@@H](NC(=O)NCCCN1CCN(c3cccc(Cl)c3)CC1)CO2 ZINC000015820879 556009642 /nfs/dbraw/zinc/00/96/42/556009642.db2.gz XJQGYCKWXYAJCB-HXUWFJFHSA-N 0 1 458.990 3.164 50 0 JGAAMN CC[NH+]1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012543243 556019083 /nfs/dbraw/zinc/01/90/83/556019083.db2.gz GLYFFRXZJPYCCB-UHFFFAOYSA-N 0 1 451.976 3.444 50 0 JGAAMN C[C@@H]1CN(CCCNC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2F)c3=O)C[C@@H](C)O1 ZINC000012544105 556020178 /nfs/dbraw/zinc/02/01/78/556020178.db2.gz PPXOJISCHPGZDI-HZPDHXFCSA-N 0 1 470.570 3.416 50 0 JGAAMN CN1CCN(c2ccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)CC1 ZINC000023134393 556020316 /nfs/dbraw/zinc/02/03/16/556020316.db2.gz FYGSBYLTPGCGFR-UHFFFAOYSA-N 0 1 470.639 3.184 50 0 JGAAMN CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000023335332 556044572 /nfs/dbraw/zinc/04/45/72/556044572.db2.gz OEYGPALJEKCMDH-UHFFFAOYSA-N 0 1 450.587 3.158 50 0 JGAAMN COc1cc(Br)c(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1OC ZINC000012560870 556053351 /nfs/dbraw/zinc/05/33/51/556053351.db2.gz GDVCGEGTCDCOIX-UHFFFAOYSA-N 0 1 455.330 3.394 50 0 JGAAMN O=C(c1[nH]nc2ccccc21)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000015933031 556071415 /nfs/dbraw/zinc/07/14/15/556071415.db2.gz NIWSDEISXDSSCO-UHFFFAOYSA-N 0 1 472.876 3.382 50 0 JGAAMN COc1ccc(-c2cnc3ncnn3c2NCCN2CCN(Cc3ccccc3)CC2)cc1OC ZINC000023460864 556071801 /nfs/dbraw/zinc/07/18/01/556071801.db2.gz JAYICMQNGDSDON-UHFFFAOYSA-N 0 1 473.581 3.038 50 0 JGAAMN COc1cccc([C@]2(C)NC(=O)N(CN3CCN(Cc4cccc5ccccc54)CC3)C2=O)c1 ZINC000023475252 556074547 /nfs/dbraw/zinc/07/45/47/556074547.db2.gz LLBRHMXYXOWQKO-MHZLTWQESA-N 0 1 458.562 3.391 50 0 JGAAMN COc1cccc([C@@]2(C)NC(=O)N(CN3CCN(Cc4cccc5ccccc54)CC3)C2=O)c1 ZINC000023475251 556074557 /nfs/dbraw/zinc/07/45/57/556074557.db2.gz LLBRHMXYXOWQKO-HHHXNRCGSA-N 0 1 458.562 3.391 50 0 JGAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccccc2)N[C@@]32c3ccccc3NC2=O)cc1 ZINC000015958228 556089892 /nfs/dbraw/zinc/08/98/92/556089892.db2.gz RGVALNJUNIEDNE-IMBSWCNGSA-N 0 1 465.509 3.057 50 0 biogenic JGAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959796 556092011 /nfs/dbraw/zinc/09/20/11/556092011.db2.gz RDYSRHQUYXPDQM-ZASNTINBSA-N 0 1 495.579 3.215 50 0 biogenic JGAAMN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959797 556092022 /nfs/dbraw/zinc/09/20/22/556092022.db2.gz RDYSRHQUYXPDQM-ZRIOWSNCSA-N 0 1 495.579 3.215 50 0 biogenic JGAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21N[C@H](C(C)C)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959847 556092117 /nfs/dbraw/zinc/09/21/17/556092117.db2.gz BOXYVJIHBRRNLB-UVPKRVSESA-N 0 1 451.954 3.268 50 0 biogenic JGAAMN CSCC[C@@H]1N[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015959954 556092386 /nfs/dbraw/zinc/09/23/86/556092386.db2.gz NYDQPXZBULOORC-UAKAABGRSA-N 0 1 469.994 3.056 50 0 biogenic JGAAMN CSCC[C@@H]1N[C@]2(c3ccc(C)c(C)c3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015967873 556094062 /nfs/dbraw/zinc/09/40/62/556094062.db2.gz NTSBYAHMGYMEAV-KKPNIWNPSA-N 0 1 463.603 3.020 50 0 biogenic JGAAMN CCOC(=O)C1C(COC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000023866048 556094415 /nfs/dbraw/zinc/09/44/15/556094415.db2.gz XXPHNHBDKARDLZ-WPSZSDGUSA-N 0 1 491.544 3.011 50 0 JGAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016000239 556104675 /nfs/dbraw/zinc/10/46/75/556104675.db2.gz QXJCLJRQEOEYMA-UAKAABGRSA-N 0 1 480.362 3.497 50 0 JGAAMN CC(C)C[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016021980 556114436 /nfs/dbraw/zinc/11/44/36/556114436.db2.gz IVSKKBYSIIJDHG-UGCAPWQASA-N 0 1 451.954 3.349 50 0 JGAAMN Cc1ccc2c(c1)[C@]1(N[C@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 ZINC000016025059 556115684 /nfs/dbraw/zinc/11/56/84/556115684.db2.gz CSOKTWKQHSXGCG-RRHHDSEZSA-N 0 1 456.546 3.238 50 0 JGAAMN Cc1ccc2c(c1)[C@]1(N[C@@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 ZINC000016025055 556115754 /nfs/dbraw/zinc/11/57/54/556115754.db2.gz CSOKTWKQHSXGCG-JLFWUPFSSA-N 0 1 456.546 3.238 50 0 JGAAMN Cc1ccc2c(c1)[C@]1(N[C@H](Cc3ccccc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000016032951 556117077 /nfs/dbraw/zinc/11/70/77/556117077.db2.gz OGHHVYUYOFZOLH-GBXYDCMPSA-N 0 1 465.553 3.201 50 0 biogenic JGAAMN COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)N2CCCC2)cc1 ZINC000016044481 556124279 /nfs/dbraw/zinc/12/42/79/556124279.db2.gz AYANERUQQGTWML-DEOSSOPVSA-N 0 1 483.590 3.334 50 0 JGAAMN COc1ccc(NC(=O)c2nc3nc(C)cc(C)n3n2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000024400447 556130892 /nfs/dbraw/zinc/13/08/92/556130892.db2.gz OLYRDJOPRNHYSC-UHFFFAOYSA-N 0 1 486.941 3.456 50 0 JGAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)ccc1C ZINC000016510425 556141861 /nfs/dbraw/zinc/14/18/61/556141861.db2.gz NLQYUBMKITVTAU-UHFFFAOYSA-N 0 1 455.536 3.040 50 0 JGAAMN C[C@@]1(CSc2ccccc2C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)NC(=O)NC1=O ZINC000012939259 556152981 /nfs/dbraw/zinc/15/29/81/556152981.db2.gz SFYGPTRJBFVGQH-DEOSSOPVSA-N 0 1 487.025 3.425 50 0 JGAAMN COc1ccccc1OCC(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1 ZINC000016847708 556169786 /nfs/dbraw/zinc/16/97/86/556169786.db2.gz IVUJRPIAWYOJQJ-UHFFFAOYSA-N 0 1 485.504 3.350 50 0 JGAAMN CN(C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccs1 ZINC000012980236 556173334 /nfs/dbraw/zinc/17/33/34/556173334.db2.gz DDBNKUJZJKVORC-SFHVURJKSA-N 0 1 456.033 3.221 50 0 JGAAMN CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)cc1 ZINC000012982360 556175821 /nfs/dbraw/zinc/17/58/21/556175821.db2.gz JVSKGOUMZDRGBJ-XMMPIXPASA-N 0 1 489.638 3.106 50 0 JGAAMN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3F)[nH]c2=O)cc1OC ZINC000016960050 556190129 /nfs/dbraw/zinc/19/01/29/556190129.db2.gz CCVLIWQLKIDYSN-UHFFFAOYSA-N 0 1 497.501 3.041 50 0 JGAAMN CNS(=O)(=O)c1cc(NC(=O)CSc2nc(-c3ccccc3Br)n[nH]2)ccc1C 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/nfs/dbraw/zinc/85/10/41/569851041.db2.gz UQZXHBQUWSOHNW-UHFFFAOYSA-N 0 1 485.953 3.188 50 0 JGAAMN COCCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169679365 569869644 /nfs/dbraw/zinc/86/96/44/569869644.db2.gz HVOGLBJQFRTBOD-UNMCSNQZSA-N 0 1 465.491 3.470 50 0 JGAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)NCCc1ccccn1)C2 ZINC000169679348 569869663 /nfs/dbraw/zinc/86/96/63/569869663.db2.gz MQQZDEIEYJCKIT-AHKZPQOWSA-N 0 1 474.580 3.451 50 0 JGAAMN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)NC[C@@H]1CN(CC(C)C)CCO1)CC2 ZINC000195531900 569873580 /nfs/dbraw/zinc/87/35/80/569873580.db2.gz PYTBFXXOYKYIEB-QDPGVEIFSA-N 0 1 481.637 3.124 50 0 JGAAMN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](CCSC)N[C@@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000229701349 570040886 /nfs/dbraw/zinc/04/08/86/570040886.db2.gz YGRNLWVYLCUAOU-BKTORNKPSA-N 0 1 459.543 3.360 50 0 JGAAMN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000229821735 570041337 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570048264 /nfs/dbraw/zinc/04/82/64/570048264.db2.gz VUIFWAPGQXOTCO-RTAAPDIRSA-N 0 1 492.535 3.344 50 0 JGAAMN O=C([C@@H]1Cc2ccccc2CO1)N1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000240122417 570052889 /nfs/dbraw/zinc/05/28/89/570052889.db2.gz VYXZMMUIGNMNCP-QFIPXVFZSA-N 0 1 474.527 3.355 50 0 JGAAMN O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]12 ZINC000245247238 570059301 /nfs/dbraw/zinc/05/93/01/570059301.db2.gz SJOKVWFTWSQYBZ-JTHZHXAOSA-N 0 1 480.499 3.475 50 0 JGAAMN CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C1CC1 ZINC000245279528 570061608 /nfs/dbraw/zinc/06/16/08/570061608.db2.gz HCWZMNVDXAMSKE-AUSIDOKSSA-N 0 1 474.623 3.123 50 0 JGAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000245311647 570063599 /nfs/dbraw/zinc/06/35/99/570063599.db2.gz PNNVVBHWTLDTAA-KEXUJGGDSA-N 0 1 455.436 3.445 50 0 JGAAMN CC(C)COC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000245325638 570064501 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/nfs/dbraw/zinc/04/25/93/556042593.db2.gz WLNDUANGXMLEFZ-DEOSSOPVSA-N 0 1 472.655 3.387 50 0 JGAAMN Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000012560611 556052583 /nfs/dbraw/zinc/05/25/83/556052583.db2.gz ZEWHMNWSEGNXBA-UHFFFAOYSA-N 0 1 473.576 3.298 50 0 JGAAMN COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000012585460 556082968 /nfs/dbraw/zinc/08/29/68/556082968.db2.gz BBKAXPXZRWAXJN-UHFFFAOYSA-N 0 1 450.318 3.247 50 0 JGAAMN O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000023680327 556083023 /nfs/dbraw/zinc/08/30/23/556083023.db2.gz SRBOQUQVDCKMFD-UHFFFAOYSA-N 0 1 452.414 3.314 50 0 JGAAMN CCc1ccc2c(c1)[C@]1(N[C@H](Cc3ccccc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959754 556091630 /nfs/dbraw/zinc/09/16/30/556091630.db2.gz BDZUWLQMKUOURQ-CPBHOCDRSA-N 0 1 479.580 3.455 50 0 biogenic JGAAMN CCc1ccc2c(c1)[C@@]1(N[C@H](Cc3ccccc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959755 556091771 /nfs/dbraw/zinc/09/17/71/556091771.db2.gz BDZUWLQMKUOURQ-YTEUAAESSA-N 0 1 479.580 3.455 50 0 biogenic JGAAMN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959795 556092054 /nfs/dbraw/zinc/09/20/54/556092054.db2.gz RDYSRHQUYXPDQM-SODQHWRNSA-N 0 1 495.579 3.215 50 0 biogenic JGAAMN CSCC[C@H]1N[C@@]2(c3ccc(C)c(C)c3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015967871 556094126 /nfs/dbraw/zinc/09/41/26/556094126.db2.gz NTSBYAHMGYMEAV-YRKFHGTDSA-N 0 1 463.603 3.020 50 0 biogenic JGAAMN CSCC[C@@H]1N[C@@]2(c3ccc(C)c(C)c3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015967869 556094141 /nfs/dbraw/zinc/09/41/41/556094141.db2.gz NTSBYAHMGYMEAV-LMMUWCHVSA-N 0 1 463.603 3.020 50 0 biogenic JGAAMN CSCC[C@H]1N[C@@]2(C(=O)Nc3c2cc(C)cc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015969813 556095584 /nfs/dbraw/zinc/09/55/84/556095584.db2.gz RXRYIIZTKXZRTH-MVOHMCPASA-N 0 1 484.021 3.365 50 0 biogenic JGAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2ccc(C)cc21 ZINC000015969995 556095932 /nfs/dbraw/zinc/09/59/32/556095932.db2.gz UOYSFVBRWWUXGQ-YFGNHEBCSA-N 0 1 456.546 3.238 50 0 biogenic JGAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016010321 556110213 /nfs/dbraw/zinc/11/02/13/556110213.db2.gz CBYCIUNVXOVRSS-CMCWBKRRSA-N 0 1 480.362 3.443 50 0 JGAAMN CC(C)[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]21 ZINC000016011922 556110898 /nfs/dbraw/zinc/11/08/98/556110898.db2.gz IXLAGWAHWRNMAU-ORGXJRBJSA-N 0 1 454.324 3.030 50 0 JGAAMN O=C1Nc2ccc(F)cc2[C@]12N[C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000016012512 556111356 /nfs/dbraw/zinc/11/13/56/556111356.db2.gz FNUQXOLZOTYMHU-IMIIHFCZSA-N 0 1 491.906 3.352 50 0 JGAAMN O=C1Nc2ccc(F)cc2[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000016020583 556113270 /nfs/dbraw/zinc/11/32/70/556113270.db2.gz IETMKNDTYRNTIN-NLJXWPIHSA-N 0 1 480.499 3.475 50 0 JGAAMN Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016032538 556116652 /nfs/dbraw/zinc/11/66/52/556116652.db2.gz MBOBHSQXDUDRQJ-UAKAABGRSA-N 0 1 480.362 3.497 50 0 biogenic JGAAMN Cc1ccc2c(c1)[C@@]1(N[C@H](Cc3ccccc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000016032952 556117009 /nfs/dbraw/zinc/11/70/09/556117009.db2.gz OGHHVYUYOFZOLH-ANARSLNQSA-N 0 1 465.553 3.201 50 0 biogenic JGAAMN COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)N2CCCC2)cc1 ZINC000016044480 556124287 /nfs/dbraw/zinc/12/42/87/556124287.db2.gz AYANERUQQGTWML-XMMPIXPASA-N 0 1 483.590 3.334 50 0 JGAAMN CCOC(=O)C1=C(CN2CCN(C/C=C/c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000024764550 556152439 /nfs/dbraw/zinc/15/24/39/556152439.db2.gz SULGVEQETJMRMX-QXJBOHEXSA-N 0 1 460.578 3.189 50 0 JGAAMN COc1cccc([C@H](CNC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)N(C)C)c1 ZINC000012939171 556153011 /nfs/dbraw/zinc/15/30/11/556153011.db2.gz LAEDIKOCHMNFQN-SFHVURJKSA-N 0 1 464.492 3.120 50 0 JGAAMN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000024983290 556168899 /nfs/dbraw/zinc/16/88/99/556168899.db2.gz VQQCCWWMFYIUBJ-AREMUKBSSA-N 0 1 496.608 3.111 50 0 JGAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3cnn(C)c3)c2)cc1Cl ZINC000025047925 556173823 /nfs/dbraw/zinc/17/38/23/556173823.db2.gz MTESLOGCUHTLPG-UHFFFAOYSA-N 0 1 492.985 3.472 50 0 JGAAMN COc1cccc([C@@H](CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)N2CCCC2)c1 ZINC000012998539 556191229 /nfs/dbraw/zinc/19/12/29/556191229.db2.gz GMVUHEPJIXQKHM-JOCHJYFZSA-N 0 1 487.622 3.055 50 0 JGAAMN CC(C)CCN(C(=O)CN[C@@H](C)c1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013031550 556228305 /nfs/dbraw/zinc/22/83/05/556228305.db2.gz NRPUGIUDSFZAJB-SFHVURJKSA-N 0 1 481.572 3.036 50 0 JGAAMN CCOC(=O)C1C(CN2CCN(c3cccc(C)c3C)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000018709439 556323877 /nfs/dbraw/zinc/32/38/77/556323877.db2.gz ZYEQMKKNAPFBNT-RUZDIDTESA-N 0 1 478.593 3.305 50 0 JGAAMN Cc1[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc1Cc1ccccc1 ZINC000018960717 556325898 /nfs/dbraw/zinc/32/58/98/556325898.db2.gz ZQSXIMYKOVBDBU-UHFFFAOYSA-N 0 1 488.610 3.073 50 0 JGAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(OCC(N)=O)c3)ccc2OC)cc1 ZINC000028403056 556332647 /nfs/dbraw/zinc/33/26/47/556332647.db2.gz AZNGZLQWXGLXDF-UHFFFAOYSA-N 0 1 499.545 3.011 50 0 JGAAMN Cn1ccnc1CN1CCN(C(=O)CCN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)CC1 ZINC000019226842 556335969 /nfs/dbraw/zinc/33/59/69/556335969.db2.gz KFOUTDMWVLQOTH-RUZDIDTESA-N 0 1 477.584 3.229 50 0 JGAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000028631957 556338187 /nfs/dbraw/zinc/33/81/87/556338187.db2.gz HYGOPRZHCXFGIQ-VWLOTQADSA-N 0 1 462.594 3.408 50 0 JGAAMN CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)cc2C[C@@H]1C ZINC000028688770 556339982 /nfs/dbraw/zinc/33/99/82/556339982.db2.gz MXDQYMYOLSOVPP-LBPRGKRZSA-N 0 1 465.457 3.384 50 0 JGAAMN Cc1noc2nc(-c3ccco3)cc(C(=O)NN3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)c12 ZINC000028805055 556341608 /nfs/dbraw/zinc/34/16/08/556341608.db2.gz MABUSHXNJJIYDL-DEOSSOPVSA-N 0 1 459.462 3.379 50 0 JGAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2cc(OC)c(OC)cc2Br)c1 ZINC000028813562 556342133 /nfs/dbraw/zinc/34/21/33/556342133.db2.gz CVJHNPCAZWIVIU-UHFFFAOYSA-N 0 1 458.330 3.147 50 0 JGAAMN CN(C)S(=O)(=O)c1ccc(NC(=O)CCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000028885851 556343270 /nfs/dbraw/zinc/34/32/70/556343270.db2.gz VBWDHVDQSUQMJT-UHFFFAOYSA-N 0 1 498.571 3.102 50 0 JGAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)c1 ZINC000030515945 556366213 /nfs/dbraw/zinc/36/62/13/556366213.db2.gz DNFBYRBJWHUTEE-UHFFFAOYSA-N 0 1 454.430 3.346 50 0 JGAAMN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CCC3)c(OC)c1 ZINC000019819217 556387683 /nfs/dbraw/zinc/38/76/83/556387683.db2.gz FZSUFILGAKAODI-UHFFFAOYSA-N 0 1 453.520 3.493 50 0 JGAAMN COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1F)C(C)C ZINC000031811525 556406547 /nfs/dbraw/zinc/40/65/47/556406547.db2.gz OAQHDLKVNYIFQD-RDJZCZTQSA-N 0 1 453.312 3.166 50 0 JGAAMN CCOc1ccc(S(=O)(=O)N2CC[NH+]([C@@H](C(=O)[O-])c3c(C)[nH]c4ccccc43)CC2)cc1 ZINC000032096361 556415627 /nfs/dbraw/zinc/41/56/27/556415627.db2.gz IBDJSUMBGNTHQU-JOCHJYFZSA-N 0 1 457.552 3.007 50 0 JGAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000032895984 556526067 /nfs/dbraw/zinc/52/60/67/556526067.db2.gz SBBYULFICQFUTB-LJQANCHMSA-N 0 1 491.057 3.440 50 0 JGAAMN C[C@@H](OC[C@@H](O)CN1CCC(NS(=O)(=O)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000032900874 556528392 /nfs/dbraw/zinc/52/83/92/556528392.db2.gz UJELUNAGJVLWIQ-UTKZUKDTSA-N 0 1 453.004 3.221 50 0 JGAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(-n4cccn4)nc3)ccc2OC)cc1 ZINC000032906328 556531161 /nfs/dbraw/zinc/53/11/61/556531161.db2.gz WLWXJZHUVKYMGY-UHFFFAOYSA-N 0 1 479.518 3.338 50 0 JGAAMN NC(=O)C1CC[NH+](CCCC[N-]S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1 ZINC000032916416 556540659 /nfs/dbraw/zinc/54/06/59/556540659.db2.gz FDPAFFNYRGXMEV-UHFFFAOYSA-N 0 1 487.247 3.012 50 0 JGAAMN COCCn1c(C)cc(O)c([C@H](c2ccc(OC)cc2)N2CCN(c3ccccc3)CC2)c1=O ZINC000008611734 562947780 /nfs/dbraw/zinc/94/77/80/562947780.db2.gz PKKAPOYMDAPHGD-SANMLTNESA-N 0 1 463.578 3.429 50 0 JGAAMN CCOCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(C)c(C)c3)cc2c1=O ZINC000006181257 569588417 /nfs/dbraw/zinc/58/84/17/569588417.db2.gz VEUVWTZWRMJXFS-UHFFFAOYSA-N 0 1 471.579 3.126 50 0 JGAAMN O=C(NC1CCCCC1)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc2c1=O ZINC000006181541 569588873 /nfs/dbraw/zinc/58/88/73/569588873.db2.gz NKTCFPUVXCACBV-UHFFFAOYSA-N 0 1 483.546 3.163 50 0 JGAAMN Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCCN(C)CC3)N(Cc3c(F)cccc3F)C2)n1 ZINC000055035992 569590433 /nfs/dbraw/zinc/59/04/33/569590433.db2.gz UXZDMPILDKLFER-GCJKJVERSA-N 0 1 475.609 3.271 50 0 JGAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C2=NN(C)C(=O)CC2)ccc1N1CCCCC1 ZINC000008706636 569594558 /nfs/dbraw/zinc/59/45/58/569594558.db2.gz QCWIWKGWQXLBJB-UHFFFAOYSA-N 0 1 499.593 3.033 50 0 JGAAMN COC(=O)C1C(CN2CC=C(c3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000057414465 569599700 /nfs/dbraw/zinc/59/97/00/569599700.db2.gz VCBOOLGUKJDXCF-XMMPIXPASA-N 0 1 463.534 3.274 50 0 JGAAMN CCc1ccc([C@H]2NC(=O)NC(CN3CCN(c4cccc(C)c4C)CC3)=C2C(=O)OC)cc1 ZINC000057415211 569600567 /nfs/dbraw/zinc/60/05/67/569600567.db2.gz IDYNAMYEJVYWAA-RUZDIDTESA-N 0 1 462.594 3.469 50 0 JGAAMN COC(=O)C1C(CN2CCN(c3ccccc3C)CC2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000057415135 569600685 /nfs/dbraw/zinc/60/06/85/569600685.db2.gz HYCDDIITAXLZOG-JOCHJYFZSA-N 0 1 454.958 3.252 50 0 JGAAMN COC(=O)C1C(CN2CCN(c3ccc(F)cc3)CC2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000057415104 569600703 /nfs/dbraw/zinc/60/07/03/569600703.db2.gz JXLWDKJPRQSALL-NRFANRHFSA-N 0 1 458.921 3.082 50 0 JGAAMN CCOc1ccc([C@@H]2NC(=O)NC(CN3CCN(c4cc(C)ccc4C)CC3)=C2C(=O)OC)cc1 ZINC000057415386 569600790 /nfs/dbraw/zinc/60/07/90/569600790.db2.gz VTINZVVOAWCINE-VWLOTQADSA-N 0 1 478.593 3.305 50 0 JGAAMN CCOc1ccccc1[C@@H]1NC(=O)N=C(CN2CCN(c3cccc(C)c3C)CC2)C1C(=O)OC ZINC000057415731 569600984 /nfs/dbraw/zinc/60/09/84/569600984.db2.gz NQPRHTYCFWDLTM-VWLOTQADSA-N 0 1 478.593 3.305 50 0 JGAAMN CCOC(=O)C1C(CN2CCN(c3cccc(Cl)c3)CC2)=NC(=O)N[C@H]1c1cccc(F)c1 ZINC000057415658 569600986 /nfs/dbraw/zinc/60/09/86/569600986.db2.gz JDODKQVSIFHBEW-QFIPXVFZSA-N 0 1 472.948 3.472 50 0 JGAAMN COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000062564191 569611022 /nfs/dbraw/zinc/61/10/22/569611022.db2.gz NXCADNNUPWHIBV-UHFFFAOYSA-N 0 1 491.543 3.359 50 0 JGAAMN CCN1CCN(c2cc(CNC(=O)c3cnn(-c4ccc(C(F)(F)F)cn4)c3C)ccn2)CC1 ZINC000062640127 569614048 /nfs/dbraw/zinc/61/40/48/569614048.db2.gz KPKTUPIKDKUORQ-UHFFFAOYSA-N 0 1 473.503 3.061 50 0 JGAAMN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(Cl)ccc3OC)[nH]c2=O)cc1 ZINC000064592007 569622381 /nfs/dbraw/zinc/62/23/81/569622381.db2.gz XXPVKRPZPJLUNI-UHFFFAOYSA-N 0 1 495.966 3.416 50 0 JGAAMN CC[NH+](CC)CCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000064611669 569623155 /nfs/dbraw/zinc/62/31/55/569623155.db2.gz CQKZFQIUATXYJF-GOSISDBHSA-N 0 1 453.612 3.326 50 0 JGAAMN Cn1c2c(C(=O)NCc3ccccc3Cl)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064836064 569636664 /nfs/dbraw/zinc/63/66/64/569636664.db2.gz OVSCXTIVMYITBR-UHFFFAOYSA-N 0 1 461.953 3.175 50 0 JGAAMN O=C([O-])c1cnc(N2CCC[C@@H](C[NH+]3CCCC3)C2)c(NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000064844207 569638262 /nfs/dbraw/zinc/63/82/62/569638262.db2.gz ZQJGZUZHHLVVTH-HNNXBMFYSA-N 0 1 480.537 3.171 50 0 JGAAMN CC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000064844218 569638365 /nfs/dbraw/zinc/63/83/65/569638365.db2.gz QNGGEMAAEBEDTR-GOSISDBHSA-N 0 1 486.594 3.095 50 0 JGAAMN COc1ccc(C(=O)Nc2ccc(N3CCN(C[C@@H](O)COCc4ccccc4)CC3)nc2)cc1 ZINC000034667954 569640583 /nfs/dbraw/zinc/64/05/83/569640583.db2.gz LMYKJURRCPXZQH-XMMPIXPASA-N 0 1 476.577 3.042 50 0 JGAAMN Cc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4cccc(C)c4C)c(Cl)cc32)no1 ZINC000065022385 569649007 /nfs/dbraw/zinc/64/90/07/569649007.db2.gz JLJSJRJNNSVEBG-UHFFFAOYSA-N 0 1 462.915 3.375 50 0 JGAAMN CCN(CC)C(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025283 569650505 /nfs/dbraw/zinc/65/05/05/569650505.db2.gz NTGLPSKZGWPUMQ-UHFFFAOYSA-N 0 1 473.643 3.072 50 0 JGAAMN Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CC[NH2+]CC3)c(C(=O)N(C)Cc3ccccc3)c2)c(C)c1 ZINC000065025217 569650508 /nfs/dbraw/zinc/65/05/08/569650508.db2.gz BKVUEZZMYKSUEK-UHFFFAOYSA-N 0 1 493.633 3.181 50 0 JGAAMN CC(C)Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CC[NH2+]CC3)c(C(=O)NC3CCCC3)c2)cc1 ZINC000065025267 569650511 /nfs/dbraw/zinc/65/05/11/569650511.db2.gz UXIBHRBTQQPGSC-UHFFFAOYSA-N 0 1 485.654 3.163 50 0 JGAAMN CCCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025285 569650535 /nfs/dbraw/zinc/65/05/35/569650535.db2.gz FQPSYQOOZOEAIZ-UHFFFAOYSA-N 0 1 473.643 3.119 50 0 JGAAMN CC(C)c1ccc(S(=O)(=O)[N-]c2cnc(N3CC[NH2+]CC3)c(C(=O)NCc3ccccc3)c2)cc1 ZINC000065025249 569650568 /nfs/dbraw/zinc/65/05/68/569650568.db2.gz HZDFMIFQDLKLBG-UHFFFAOYSA-N 0 1 493.633 3.345 50 0 JGAAMN Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(N3CC[NH2+]CC3)c(C(=O)NCc3ccccc3)c2)cc1C ZINC000065025286 569650705 /nfs/dbraw/zinc/65/07/05/569650705.db2.gz NSAYORNZUUHWFM-UHFFFAOYSA-N 0 1 493.633 3.147 50 0 JGAAMN Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(N3CC[NH2+]CC3)c(C(=O)NCc3ccccc3)c2)c(C)c1 ZINC000065025307 569650835 /nfs/dbraw/zinc/65/08/35/569650835.db2.gz OKQZZHODWULTTE-UHFFFAOYSA-N 0 1 493.633 3.147 50 0 JGAAMN COCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2)nc1 ZINC000065063450 569656567 /nfs/dbraw/zinc/65/65/67/569656567.db2.gz MYDJRWQHLVUCBX-UHFFFAOYSA-N 0 1 487.534 3.068 50 0 JGAAMN CCCOc1cccc(-c2nnc(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[n-]2)c1 ZINC000034765262 569658207 /nfs/dbraw/zinc/65/82/07/569658207.db2.gz MOADMKCIQUKJIE-UHFFFAOYSA-N 0 1 461.566 3.310 50 0 JGAAMN 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/nfs/dbraw/zinc/20/89/94/521208994.db2.gz CJGGYDVJQHDXHB-UHFFFAOYSA-N 0 1 486.638 3.312 50 0 JGAAMN CCOC(=O)c1cc(OCCOC)c(OCCOC)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000008626492 521446245 /nfs/dbraw/zinc/44/62/45/521446245.db2.gz XAZYGPCGZHVTHK-UHFFFAOYSA-N 0 1 487.958 3.368 50 0 JGAAMN CCOc1ccccc1N1CCN([C@@H]2CCc3c(c(C(=O)N4CCSCC4)nn3CC)C2)CC1 ZINC000014754268 521517339 /nfs/dbraw/zinc/51/73/39/521517339.db2.gz ABUKBEJWFLDVNS-HXUWFJFHSA-N 0 1 483.682 3.170 50 0 JGAAMN CCOC(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000005940467 521519827 /nfs/dbraw/zinc/51/98/27/521519827.db2.gz UBECSOOPKQSWMO-UHFFFAOYSA-N 0 1 457.537 3.263 50 0 JGAAMN CCOc1nc2c(c(C)nn2-c2cccc(C)c2)c(C)c1CCC(=O)NCCN1CCN(C)CC1 ZINC000046006215 521606650 /nfs/dbraw/zinc/60/66/50/521606650.db2.gz GFKUOVNCYFOIMY-UHFFFAOYSA-N 0 1 478.641 3.041 50 0 JGAAMN CCN1CCN(c2ncnc3sc(C(=O)NCc4ccc(OC)cc4OC)c(C)c32)CC1 ZINC000033048369 521701420 /nfs/dbraw/zinc/70/14/20/521701420.db2.gz YZKQLUGAYLBRDD-UHFFFAOYSA-N 0 1 455.584 3.089 50 0 JGAAMN COc1c2c(cc3c1[C@@H](c1c([O-])n(-c4ccccc4)c(=O)n(-c4ccccc4)c1=O)[N@H+](C)CC3)OCO2 ZINC000020410600 521890655 /nfs/dbraw/zinc/89/06/55/521890655.db2.gz LIZWWWBYVKLUOY-QHCPKHFHSA-N 0 1 499.523 3.009 50 0 biogenic JGAAMN COc1c2c(cc3c1[C@@H](c1c([O-])n(-c4ccccc4)c(=O)n(-c4ccccc4)c1=O)[N@@H+](C)CC3)OCO2 ZINC000020410600 521890666 /nfs/dbraw/zinc/89/06/66/521890666.db2.gz LIZWWWBYVKLUOY-QHCPKHFHSA-N 0 1 499.523 3.009 50 0 biogenic JGAAMN CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000021822140 521984768 /nfs/dbraw/zinc/98/47/68/521984768.db2.gz GNWYOANSCAPPFO-UHFFFAOYSA-N 0 1 492.645 3.283 50 0 JGAAMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cccc(I)c2)c1 ZINC000016189169 522082026 /nfs/dbraw/zinc/08/20/26/522082026.db2.gz SUTXVOOAMXRWSG-UHFFFAOYSA-N 0 1 479.318 3.082 50 0 JGAAMN COc1cc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc(OC)c1 ZINC000014992260 522397342 /nfs/dbraw/zinc/39/73/42/522397342.db2.gz FWMQSGNHWDBTLF-NRFANRHFSA-N 0 1 467.570 3.464 50 0 JGAAMN 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C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000012283635 555949059 /nfs/dbraw/zinc/94/90/59/555949059.db2.gz KWMNHVGJHJRNFP-KRWDZBQOSA-N 0 1 489.498 3.491 50 0 JGAAMN O=C1CCSc2ccc(S(=O)(=O)NCC3CCN(Cc4cccc(F)c4)CC3)cc2N1 ZINC000015731076 555973524 /nfs/dbraw/zinc/97/35/24/555973524.db2.gz FMODXBLUOXPKHK-UHFFFAOYSA-N 0 1 463.600 3.451 50 0 JGAAMN COc1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000012532485 556002874 /nfs/dbraw/zinc/00/28/74/556002874.db2.gz MKXUCEYRFUMXBU-OAQYLSRUSA-N 0 1 458.467 3.414 50 0 JGAAMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000015786783 556006483 /nfs/dbraw/zinc/00/64/83/556006483.db2.gz RORYGRIMIBXRFU-UHFFFAOYSA-N 0 1 488.997 3.339 50 0 JGAAMN COc1ccc2c(c1)C[C@H](NC(=O)NCCCN1CCN(c3cc(Cl)ccc3C)CC1)CO2 ZINC000015821049 556009628 /nfs/dbraw/zinc/00/96/28/556009628.db2.gz FKCJLIYMPQWCJR-NRFANRHFSA-N 0 1 473.017 3.472 50 0 JGAAMN CN1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Br)cc4)C3)cc2)CC1 ZINC000012537966 556011269 /nfs/dbraw/zinc/01/12/69/556011269.db2.gz SWHLHSQGADIMSF-MRXNPFEDSA-N 0 1 457.372 3.193 50 0 JGAAMN CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C(C)=O)c3)[nH]c2=O)cc1 ZINC000023119057 556012870 /nfs/dbraw/zinc/01/28/70/556012870.db2.gz KKXGTUCFRNYWBM-UHFFFAOYSA-N 0 1 471.560 3.099 50 0 JGAAMN COc1cc(=O)n2c(c1C(=O)N(C)Cc1cscn1)CCN(Cc1ccc(C)cc1C)CC2 ZINC000023128901 556018153 /nfs/dbraw/zinc/01/81/53/556018153.db2.gz GTPIVOYJJGWQSJ-UHFFFAOYSA-N 0 1 466.607 3.261 50 0 JGAAMN COc1cccc(CNC(=O)c2c(OC)cc(=O)n3c2CCN(Cc2ccc(C)c(C)c2)CC3)c1 ZINC000023130070 556019206 /nfs/dbraw/zinc/01/92/06/556019206.db2.gz VRRNTUBSLBDXLF-UHFFFAOYSA-N 0 1 475.589 3.471 50 0 JGAAMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCN(C(=O)C(C)C)CC3)ccc2OC)cc1 ZINC000023132141 556019711 /nfs/dbraw/zinc/01/97/11/556019711.db2.gz PYEIWYJNMQOURZ-UHFFFAOYSA-N 0 1 487.622 3.435 50 0 JGAAMN Cc1cccc(CN2CCN(Cn3nc(N4CCOCC4)n(Cc4ccccc4)c3=S)CC2)c1 ZINC000023256872 556035609 /nfs/dbraw/zinc/03/56/09/556035609.db2.gz QGYXDMSKEXGZAA-UHFFFAOYSA-N 0 1 478.666 3.383 50 0 JGAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C3(C(=O)NCc4ccco4)CC3)cc2)c1 ZINC000015869543 556048744 /nfs/dbraw/zinc/04/87/44/556048744.db2.gz IBTGUUBDTVKHHQ-UHFFFAOYSA-N 0 1 456.520 3.446 50 0 JGAAMN CCOc1ccc(NC(=O)CSc2nc(-c3cccs3)n[nH]2)cc1S(=O)(=O)N1CCCC1 ZINC000012590365 556086371 /nfs/dbraw/zinc/08/63/71/556086371.db2.gz ALDVVLGHTVTWKY-UHFFFAOYSA-N 0 1 493.636 3.447 50 0 JGAAMN CCc1ccc2c(c1)[C@@]1(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959753 556091819 /nfs/dbraw/zinc/09/18/19/556091819.db2.gz BDZUWLQMKUOURQ-TUAOVVRQSA-N 0 1 479.580 3.455 50 0 biogenic JGAAMN CSCC[C@@H]1N[C@@]2(C(=O)Nc3c2cc(C)cc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015969811 556095687 /nfs/dbraw/zinc/09/56/87/556095687.db2.gz RXRYIIZTKXZRTH-PBQROFAYSA-N 0 1 484.021 3.365 50 0 biogenic JGAAMN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCC1(N2CCOCC2)CCCCC1 ZINC000023873084 556096631 /nfs/dbraw/zinc/09/66/31/556096631.db2.gz CKUUCUXGZWICBF-UHFFFAOYSA-N 0 1 485.650 3.029 50 0 JGAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016000507 556104859 /nfs/dbraw/zinc/10/48/59/556104859.db2.gz QLZVJTGHKNEIBD-QPXQOZNCSA-N 0 1 466.335 3.189 50 0 JGAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C(C)C)N[C@]4(c5ccccc5NC4=O)[C@H]3C2=O)c(Br)c1 ZINC000016011441 556110162 /nfs/dbraw/zinc/11/01/62/556110162.db2.gz HZUNDKGBTLHGBR-QPXQOZNCSA-N 0 1 468.351 3.339 50 0 JGAAMN CCCN(Cc1nnc(-c2ccco2)o1)CC1=NC(=O)N[C@H](c2cccs2)C1C(=O)OCC ZINC000023990003 556114138 /nfs/dbraw/zinc/11/41/38/556114138.db2.gz YDXLNEDYPIOAGM-LJQANCHMSA-N 0 1 471.539 3.474 50 0 JGAAMN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2ccc(F)cc21 ZINC000016024639 556115334 /nfs/dbraw/zinc/11/53/34/556115334.db2.gz LNLISTUBZKTRHC-YRKFHGTDSA-N 0 1 460.509 3.069 50 0 JGAAMN Cc1ccc2c(c1)[C@]1(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000016032949 556117082 /nfs/dbraw/zinc/11/70/82/556117082.db2.gz OGHHVYUYOFZOLH-APSVEGKFSA-N 0 1 465.553 3.201 50 0 biogenic JGAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000024490779 556132499 /nfs/dbraw/zinc/13/24/99/556132499.db2.gz OHQIDOMZUCIFCA-NRFANRHFSA-N 0 1 473.620 3.429 50 0 JGAAMN CNS(=O)(=O)c1cc(NS(=O)(=O)c2cc(Br)ccc2Br)ccc1C ZINC000024756160 556150246 /nfs/dbraw/zinc/15/02/46/556150246.db2.gz YHWHSMPVJTWIEB-UHFFFAOYSA-N 0 1 498.218 3.229 50 0 JGAAMN Cc1cc(I)ccc1NC(=O)CN1CCN(CCc2ccccc2)CC1 ZINC000024925618 556163785 /nfs/dbraw/zinc/16/37/85/556163785.db2.gz FXRHBIRCKQUNSB-UHFFFAOYSA-N 0 1 463.363 3.398 50 0 JGAAMN CCOC(=O)C1C(COC(=O)CCc2nc3ccccc3o2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000025066670 556178414 /nfs/dbraw/zinc/17/84/14/556178414.db2.gz RBRCKQUTNXZEDO-QHCPKHFHSA-N 0 1 479.489 3.184 50 0 JGAAMN Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)CC2)n1 ZINC000017012813 556202812 /nfs/dbraw/zinc/20/28/12/556202812.db2.gz TUABJYDERUFXSA-UHFFFAOYSA-N 0 1 475.618 3.467 50 0 JGAAMN CN(C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)c1cccs1 ZINC000025385796 556211240 /nfs/dbraw/zinc/21/12/40/556211240.db2.gz GMDZWZUWFYRDOD-PMACEKPBSA-N 0 1 475.611 3.196 50 0 JGAAMN CCOc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(=O)[nH]2)cc1 ZINC000017307851 556255622 /nfs/dbraw/zinc/25/56/22/556255622.db2.gz TZCGYLRSVNDOML-UHFFFAOYSA-N 0 1 475.548 3.153 50 0 JGAAMN C[C@@H]1C[C@@H](C)CN([C@@H](C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc2)C1 ZINC000013062932 556258628 /nfs/dbraw/zinc/25/86/28/556258628.db2.gz WRUAPHDERFLWTP-YOSAUDMPSA-N 0 1 471.623 3.365 50 0 JGAAMN COC(=O)c1nc2n(n1)[C@@H](c1cc(OC)ccc1OC)C(C(=O)OC1CCCCC1)=C(C)N2 ZINC000017885803 556269657 /nfs/dbraw/zinc/26/96/57/556269657.db2.gz XVWCXJSRFMACOL-IBGZPJMESA-N 0 1 456.499 3.247 50 0 JGAAMN CCc1ccc(-c2n[nH]c(SCC(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000013128666 556348373 /nfs/dbraw/zinc/34/83/73/556348373.db2.gz DSWDRXCMUGDYIL-FQEVSTJZSA-N 0 1 470.620 3.342 50 0 JGAAMN COC(=O)c1c(OCCc2ccsc2)cc(=O)n2c1CCN(Cc1ccc3c(c1)CCO3)CC2 ZINC000019739581 556363550 /nfs/dbraw/zinc/36/35/50/556363550.db2.gz IRYVOCUQYFURJS-UHFFFAOYSA-N 0 1 480.586 3.311 50 0 JGAAMN CC(C)C[C@@H](NC(=O)[C@H](NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(=O)OC(C)(C)C ZINC000032124047 556426654 /nfs/dbraw/zinc/42/66/54/556426654.db2.gz FLVRUHXPQCZYOV-CEMLEFRQSA-N 0 1 472.630 3.051 50 0 biogenic JGAAMN C[NH+](C)[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1cccc(F)c1 ZINC000032216772 556433752 /nfs/dbraw/zinc/43/37/52/556433752.db2.gz USYGQFNWKNKSDK-QFIPXVFZSA-N 0 1 499.564 3.430 50 0 JGAAMN CCOC(=O)C1C(CN2CCn3cccc3[C@@H]2C)=NC(=O)N[C@@H]1c1ccccc1OC(F)F ZINC000032857902 556513149 /nfs/dbraw/zinc/51/31/49/556513149.db2.gz YZYQEWYOABUDBJ-VBKZILBWSA-N 0 1 460.481 3.337 50 0 JGAAMN COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c1 ZINC000008686912 562953114 /nfs/dbraw/zinc/95/31/14/562953114.db2.gz GZZGCYWUABWJPH-UHFFFAOYSA-N 0 1 499.932 3.384 50 0 JGAAMN CCOc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N[C@@H](C)CC)c(=O)c3c2)cc1 ZINC000006296657 569589102 /nfs/dbraw/zinc/58/91/02/569589102.db2.gz GNPBKGFFRZBYHZ-HNNXBMFYSA-N 0 1 457.552 3.280 50 0 JGAAMN O=C(NCCn1ncc2c1ncnc2N1CCN(Cc2ccccc2)CC1)c1c(F)cccc1Cl ZINC000056965555 569593841 /nfs/dbraw/zinc/59/38/41/569593841.db2.gz XKBIWHQADOEHTN-UHFFFAOYSA-N 0 1 493.974 3.371 50 0 JGAAMN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CCC(N)=O)N[C@@]12c1cc(C)cc(Cl)c1NC2=O ZINC000057142787 569594521 /nfs/dbraw/zinc/59/45/21/569594521.db2.gz MWHGTWCQKMDHOA-WXQIDZRNSA-N 0 1 491.375 3.340 50 0 JGAAMN CCCCn1c2nc(CSc3nc(-c4cc(Cl)ccc4OC)n[nH]3)n(CC)c2c(=O)[nH]c1=O ZINC000008720149 569597824 /nfs/dbraw/zinc/59/78/24/569597824.db2.gz HKXYFBMIRCBBPI-UHFFFAOYSA-N 0 1 489.989 3.446 50 0 JGAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000008720272 569597923 /nfs/dbraw/zinc/59/79/23/569597923.db2.gz WPMPXBZQAMMAFI-HNNXBMFYSA-N 0 1 498.513 3.409 50 0 JGAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000057415515 569600916 /nfs/dbraw/zinc/60/09/16/569600916.db2.gz PDNVMNVOCPKNCU-RUZDIDTESA-N 0 1 478.593 3.074 50 0 JGAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccccc1OCC ZINC000057415841 569601196 /nfs/dbraw/zinc/60/11/96/569601196.db2.gz WNHZXNSAJBZGGJ-XMMPIXPASA-N 0 1 464.566 3.079 50 0 JGAAMN COC(=O)C1C(CN2CCN(c3cc(Cl)ccc3C)CC2)=NC(=O)N[C@@H]1c1cccs1 ZINC000057416005 569601336 /nfs/dbraw/zinc/60/13/36/569601336.db2.gz ZBQZYCASVNZGBA-HXUWFJFHSA-N 0 1 460.987 3.313 50 0 JGAAMN COc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1OC ZINC000064591903 569622053 /nfs/dbraw/zinc/62/20/53/569622053.db2.gz GOSJWGMIGYNNGJ-UHFFFAOYSA-N 0 1 469.519 3.487 50 0 JGAAMN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Cl)[nH]c2=O)cc1 ZINC000064591993 569622178 /nfs/dbraw/zinc/62/21/78/569622178.db2.gz GSYHLEUDWBOCSO-UHFFFAOYSA-N 0 1 465.940 3.408 50 0 JGAAMN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C)c3)[nH]c2=O)cc1OC ZINC000064592020 569622333 /nfs/dbraw/zinc/62/23/33/569622333.db2.gz OTFFVAMTYQCLEZ-UHFFFAOYSA-N 0 1 475.548 3.071 50 0 JGAAMN CCOc1ccc(S(=O)(=O)N2CCN(c3cc(C)nc(NC4CCCCC4)n3)CC2)cc1 ZINC000064814568 569632281 /nfs/dbraw/zinc/63/22/81/569632281.db2.gz KXGZRUQZFFQOIS-UHFFFAOYSA-N 0 1 459.616 3.439 50 0 JGAAMN CCn1c2c(C(=O)NCc3ccc(F)cc3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064835863 569636555 /nfs/dbraw/zinc/63/65/55/569636555.db2.gz SNQWONHOEDYTQQ-UHFFFAOYSA-N 0 1 459.525 3.143 50 0 JGAAMN CCn1c2c(C(=O)NCc3ccc(OC)cc3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064835960 569636737 /nfs/dbraw/zinc/63/67/37/569636737.db2.gz YKHYZDAAQWHMKA-UHFFFAOYSA-N 0 1 471.561 3.013 50 0 JGAAMN CCn1c2c(C(=O)NCc3ccccc3C)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064835966 569636765 /nfs/dbraw/zinc/63/67/65/569636765.db2.gz FYYJAJKKNISQCG-UHFFFAOYSA-N 0 1 455.562 3.313 50 0 JGAAMN Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])cnc1N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000064844182 569638354 /nfs/dbraw/zinc/63/83/54/569638354.db2.gz WZIDSIVJEQWWQF-GOSISDBHSA-N 0 1 458.584 3.201 50 0 JGAAMN Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000064844210 569638411 /nfs/dbraw/zinc/63/84/11/569638411.db2.gz MLFUDYLKSMJHQT-GOSISDBHSA-N 0 1 458.584 3.201 50 0 JGAAMN CCc1cccc(NS(=O)(=O)c2cc3c(cc2Cl)N(Cc2noc(C)n2)C(=O)CO3)c1 ZINC000065022432 569648939 /nfs/dbraw/zinc/64/89/39/569648939.db2.gz GHNAFQOOCSTSSR-UHFFFAOYSA-N 0 1 462.915 3.320 50 0 JGAAMN Cc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4cc(C)cc(C)c4)c(Cl)cc32)no1 ZINC000065022423 569648976 /nfs/dbraw/zinc/64/89/76/569648976.db2.gz TWELEYAQSMOUBF-UHFFFAOYSA-N 0 1 462.915 3.375 50 0 JGAAMN CCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025201 569650229 /nfs/dbraw/zinc/65/02/29/569650229.db2.gz GWMHBYZIHMIISU-UHFFFAOYSA-N 0 1 485.654 3.480 50 0 JGAAMN CC[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025275 569650544 /nfs/dbraw/zinc/65/05/44/569650544.db2.gz KPIFPMZUOMTHKU-KRWDZBQOSA-N 0 1 473.643 3.118 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CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)ccc3OC)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000136639811 569864759 /nfs/dbraw/zinc/86/47/59/569864759.db2.gz YYPVCPVJHWPEMG-ZPIFVSINSA-N 0 1 465.937 3.194 50 0 JGAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)ccc3OC)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000136639811 569864760 /nfs/dbraw/zinc/86/47/60/569864760.db2.gz YYPVCPVJHWPEMG-ZPIFVSINSA-N 0 1 465.937 3.194 50 0 JGAAMN COc1cccc(CN(C[C@@H](O)CN2CCOCC2)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000169679442 569869718 /nfs/dbraw/zinc/86/97/18/569869718.db2.gz PKMDSQNITPHUKQ-UPVQGACJSA-N 0 1 474.001 3.037 50 0 JGAAMN Cc1sc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc1C(=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000229710863 570041136 /nfs/dbraw/zinc/04/11/36/570041136.db2.gz HZXSYXJULHJHAR-QAPCUYQASA-N 0 1 483.059 3.900 50 0 JGAAMN COC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C1CC1 ZINC000245281314 570062357 /nfs/dbraw/zinc/06/23/57/570062357.db2.gz XEOCTLGHZIRYEM-IFMALSPDSA-N 0 1 458.624 3.341 50 0 JGAAMN 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50 0 JGAAMN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@H](C)O)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000253387308 570095279 /nfs/dbraw/zinc/09/52/79/570095279.db2.gz ZXKMVIOQPIHHBP-GLEFEWGCSA-N 0 1 450.322 3.147 50 0 JGAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@H]2CCCN21 ZINC000253389854 570095763 /nfs/dbraw/zinc/09/57/63/570095763.db2.gz VLBXGJZRXFCWFI-GKAYAJSDSA-N 0 1 455.436 3.445 50 0 JGAAMN COC(=O)C[C@H](c1cccnc1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000253413148 570098101 /nfs/dbraw/zinc/09/81/01/570098101.db2.gz TXYDSBFNGBTSSP-NSYGIPOTSA-N 0 1 464.474 3.419 50 0 JGAAMN COc1cc([C@@H](CC(=O)NCCc2ccc(F)cc2)c2c(O)cc(C)oc2=O)c(OC)c2c1OCO2 ZINC000253471679 570099480 /nfs/dbraw/zinc/09/94/80/570099480.db2.gz XABSKXNRMKMQKL-QGZVFWFLSA-N 0 1 499.491 3.420 50 0 JGAAMN Cn1nnnc1SCCNCc1nn(Cc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000261492609 570170103 /nfs/dbraw/zinc/17/01/03/570170103.db2.gz RDEFPJXHSWQKGX-UHFFFAOYSA-N 0 1 458.954 3.191 50 0 JGAAMN COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)N3CCN(C(C)C)CC3)c21 ZINC000299770545 570175789 /nfs/dbraw/zinc/17/57/89/570175789.db2.gz WHYPBDCUSFOELW-UHFFFAOYSA-N 0 1 455.603 3.368 50 0 JGAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)c1 ZINC000001139542 194043931 /nfs/dbraw/zinc/04/39/31/194043931.db2.gz SFORXSDIMMLQPP-JOCHJYFZSA-N 0 1 470.503 3.283 50 0 aggregator JGAAMN O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002966798 194184361 /nfs/dbraw/zinc/18/43/61/194184361.db2.gz NHFZJBKCRYIAKH-LJQANCHMSA-N 0 1 467.982 3.137 50 0 JGAAMN Cc1cccc(N2CCN(C(=O)CC[C@@H]3N=C4c5ccccc5NC(=S)N4C3=O)CC2)c1C ZINC000002966789 194184494 /nfs/dbraw/zinc/18/44/94/194184494.db2.gz ITTCTMSUZLGKJA-FQEVSTJZSA-N 0 1 461.591 3.100 50 0 JGAAMN CCOC(=O)C1CCN(C[C@@H](O)COc2ccc(Br)cc2Br)CC1 ZINC000003265314 194256392 /nfs/dbraw/zinc/25/63/92/194256392.db2.gz CJLLVDGLDXHEJL-CQSZACIVSA-N 0 1 465.182 3.226 50 0 JGAAMN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)N1CCOCC1 ZINC000003314157 194277837 /nfs/dbraw/zinc/27/78/37/194277837.db2.gz ANUYMHLOZNDJRG-UHFFFAOYSA-N 0 1 474.579 3.109 50 0 JGAAMN COc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc32)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000003378660 194308835 /nfs/dbraw/zinc/30/88/35/194308835.db2.gz JGGDEGCTALWKRC-UHFFFAOYSA-N 0 1 468.466 3.124 50 0 JGAAMN COc1ccccc1NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000003433644 194323332 /nfs/dbraw/zinc/32/33/32/194323332.db2.gz DLGOVFINLOQRSA-UHFFFAOYSA-N 0 1 458.467 3.431 50 0 JGAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003550433 194336964 /nfs/dbraw/zinc/33/69/64/194336964.db2.gz QBPRMTTXAUJJPF-UHFFFAOYSA-N 0 1 457.581 3.377 50 0 JGAAMN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Oc2nc(OC)cc(OC)n2)cc1C ZINC000004106770 194378342 /nfs/dbraw/zinc/37/83/42/194378342.db2.gz DMFAYRFWLQECLW-UHFFFAOYSA-N 0 1 459.480 3.182 50 0 JGAAMN CCOC(=O)C1C(COC(=O)Cc2c[nH]c3ccccc23)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000009639155 194843139 /nfs/dbraw/zinc/84/31/39/194843139.db2.gz JRULGYFJCVQZIT-QHCPKHFHSA-N 0 1 463.490 3.134 50 0 JGAAMN Cc1ccc(C)c(CN2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3cccc(Cl)c3)CC2)c1 ZINC000009714397 194910563 /nfs/dbraw/zinc/91/05/63/194910563.db2.gz CJOMVLZDSOXEKF-UHFFFAOYSA-N 0 1 493.011 3.064 50 0 JGAAMN COc1ccc(C(=O)Nc2cccc(-c3nnnn3C)c2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000009905066 195017357 /nfs/dbraw/zinc/01/73/57/195017357.db2.gz FBVXOGNBOGTXGL-UHFFFAOYSA-N 0 1 478.534 3.247 50 0 JGAAMN CCc1nc(S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n[nH]1 ZINC000009911230 195021742 /nfs/dbraw/zinc/02/17/42/195021742.db2.gz IZMZIBGDBYBPCY-GFCCVEGCSA-N 0 1 458.009 3.314 50 0 JGAAMN CCc1n[nH]c(S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n1 ZINC000009911230 195021746 /nfs/dbraw/zinc/02/17/46/195021746.db2.gz IZMZIBGDBYBPCY-GFCCVEGCSA-N 0 1 458.009 3.314 50 0 JGAAMN O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000009887262 195014868 /nfs/dbraw/zinc/01/48/68/195014868.db2.gz VUCUPVQJRLUNGY-UHFFFAOYSA-N 0 1 460.456 3.359 50 0 JGAAMN COc1ccc(N2C(=O)C[C@H](Nc3cccc(S(=O)(=O)Nc4ccccc4OC)c3)C2=O)cc1 ZINC000012605083 195050259 /nfs/dbraw/zinc/05/02/59/195050259.db2.gz SVCIWCWLKKKTAW-NRFANRHFSA-N 0 1 481.530 3.249 50 0 JGAAMN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000012605843 195051527 /nfs/dbraw/zinc/05/15/27/195051527.db2.gz HBEKWBVPBKWICT-RTBURBONSA-N 0 1 475.611 3.115 50 0 JGAAMN COc1ccc2nc(SCC(=O)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)[nH]c2c1 ZINC000012627486 195060178 /nfs/dbraw/zinc/06/01/78/195060178.db2.gz OAGMHBYIFLLCCF-UHFFFAOYSA-N 0 1 467.595 3.063 50 0 JGAAMN COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)N2CCCC2)cc1 ZINC000012683808 195085414 /nfs/dbraw/zinc/08/54/14/195085414.db2.gz RESATVNUUMNPQX-QHCPKHFHSA-N 0 1 457.596 3.047 50 0 JGAAMN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)CC2)cc1 ZINC000012796131 195136008 /nfs/dbraw/zinc/13/60/08/195136008.db2.gz ZETMLXYYRAFHRJ-QHCPKHFHSA-N 0 1 477.602 3.044 50 0 JGAAMN Cc1ccccc1C=Cc1n[nH]c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 ZINC000012844646 195151762 /nfs/dbraw/zinc/15/17/62/195151762.db2.gz DNDXVYPRCOMUDJ-IZZDOVSWSA-N 0 1 499.618 3.035 50 0 JGAAMN CSCC[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000020611713 195185501 /nfs/dbraw/zinc/18/55/01/195185501.db2.gz KHZCMGWSHOHJKU-GBPOLFSSSA-N 0 1 455.967 3.014 50 0 biogenic JGAAMN COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1 ZINC000020728442 195208842 /nfs/dbraw/zinc/20/88/42/195208842.db2.gz CVCNBTXJWJHBGP-DOTOQJQBSA-N 0 1 467.389 3.124 50 0 JGAAMN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c(=O)[nH]c(=O)n([C@@H](C)CCc2ccccc2)c1[O-] ZINC000020758009 195216753 /nfs/dbraw/zinc/21/67/53/195216753.db2.gz GTPZVCBYYMPSOY-WNSKOXEYSA-N 0 1 460.534 3.161 50 0 biogenic JGAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccccc32)c1 ZINC000020758652 195216854 /nfs/dbraw/zinc/21/68/54/195216854.db2.gz LVIRZOOCUHJQQF-GBXYDCMPSA-N 0 1 492.535 3.344 50 0 biogenic JGAAMN COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CCN(Cc1ccc3ccccc3c1)CC2 ZINC000020919089 195247087 /nfs/dbraw/zinc/24/70/87/195247087.db2.gz YFXYRRLZUPUAIE-UHFFFAOYSA-N 0 1 485.588 3.085 50 0 JGAAMN COC(=O)c1c(OCCCc2cnn(C)c2)cc(=O)n2c1CCN(Cc1cc(C)cc(C)c1)CC2 ZINC000020999870 195265614 /nfs/dbraw/zinc/26/56/14/195265614.db2.gz RXHRYBIZOJDVLE-UHFFFAOYSA-N 0 1 478.593 3.055 50 0 JGAAMN CN(CCNC(=O)C[S@@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1)Cc1ccccc1 ZINC000021109924 195277466 /nfs/dbraw/zinc/27/74/66/195277466.db2.gz UDNMYKJQQCBAPN-UUWRZZSWSA-N 0 1 475.618 3.160 50 0 JGAAMN CCOC(=O)N(C)C1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)CC1 ZINC000058344280 195378176 /nfs/dbraw/zinc/37/81/76/195378176.db2.gz HQLMHYKOTIPYFO-UHFFFAOYSA-N 0 1 475.567 3.189 50 0 JGAAMN CCCc1nnc(NC(=O)CSc2nc(-c3cccc(Cl)c3)nc3cc(=O)[nH]n32)s1 ZINC000021911156 195329492 /nfs/dbraw/zinc/32/94/92/195329492.db2.gz UZOTZNXLWDZSRN-UHFFFAOYSA-N 0 1 461.960 3.273 50 0 JGAAMN COc1cc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(OC)c(OC)c3)c2)cc(OC)c1 ZINC000021931832 195335200 /nfs/dbraw/zinc/33/52/00/195335200.db2.gz QRKBNCUASWEBDC-UHFFFAOYSA-N 0 1 473.507 3.169 50 0 JGAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3C)CC2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000057478286 195343450 /nfs/dbraw/zinc/34/34/50/195343450.db2.gz GVPAWAMYZYRYBV-HSZRJFAPSA-N 0 1 452.530 3.127 50 0 JGAAMN CCOC(=O)C1C(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)=NC(=O)N[C@H]1c1ccccc1 ZINC000057536297 195350803 /nfs/dbraw/zinc/35/08/03/195350803.db2.gz AUVKJZKWOAHLDZ-YKSBVNFPSA-N 0 1 463.534 3.466 50 0 JGAAMN COc1cc2c(cc1NC(=O)[C@@H](C)NCc1ccc(S(N)(=O)=O)cc1)oc1ccccc12 ZINC000058162376 195369369 /nfs/dbraw/zinc/36/93/69/195369369.db2.gz YCQPBNBKWXLIDZ-CQSZACIVSA-N 0 1 453.520 3.359 50 0 JGAAMN CCOc1ccc(/C=C\C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000096503642 130111513 /nfs/dbraw/zinc/11/15/13/130111513.db2.gz UIYIEZIONKMMCF-UBWHZCOUSA-N 0 1 496.545 3.260 50 0 JGAAMN CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)c1ccc(C(C)(C)C)cc1)CC2 ZINC000014889199 519239961 /nfs/dbraw/zinc/23/99/61/519239961.db2.gz SDKQMZNBBPIRFM-OAQYLSRUSA-N 0 1 468.646 3.039 50 0 JGAAMN CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC000014992708 519247267 /nfs/dbraw/zinc/24/72/67/519247267.db2.gz VHRVSTXSPZCAPE-OAQYLSRUSA-N 0 1 476.581 3.020 50 0 JGAAMN CCCN1CCN(c2nnc(-n3cccc3CN3CCN(c4ccc(F)cc4)CC3)s2)CC1 ZINC000021880815 519861292 /nfs/dbraw/zinc/86/12/92/519861292.db2.gz DCMRMVSOSDVHNZ-UHFFFAOYSA-N 0 1 469.634 3.322 50 0 JGAAMN CCCCN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000033033211 520394079 /nfs/dbraw/zinc/39/40/79/520394079.db2.gz YFLPRXZVTZKNGB-UHFFFAOYSA-N 0 1 458.628 3.386 50 0 JGAAMN CCCCN(CC)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000033033500 520472251 /nfs/dbraw/zinc/47/22/51/520472251.db2.gz NLKBDOHBKICFEM-UHFFFAOYSA-N 0 1 458.628 3.468 50 0 JGAAMN CCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)Cc2ccc(Br)cc2)cc1 ZINC000035422100 520891272 /nfs/dbraw/zinc/89/12/72/520891272.db2.gz JJVCYLPGQORLJE-UHFFFAOYSA-N 0 1 474.399 3.312 50 0 JGAAMN CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CCN(Cc2cnn(-c4ccccc4)c2)CC3)CC1 ZINC000012281055 520929143 /nfs/dbraw/zinc/92/91/43/520929143.db2.gz GEXCLMPHAMDIJV-HSZRJFAPSA-N 0 1 465.598 3.212 50 0 JGAAMN CCC[C@@]1(C2CCN(Cc3ccc(NC(C)=O)s3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O ZINC000014882650 520959799 /nfs/dbraw/zinc/95/97/99/520959799.db2.gz OFSMNUWDCHZPEU-JPYJTQIMSA-N 0 1 462.616 3.188 50 0 JGAAMN CCOc1ccc(CNC(=O)c2sc3ncnc(N4CCN(CC)CC4)c3c2C)cc1OC ZINC000033048454 520999007 /nfs/dbraw/zinc/99/90/07/520999007.db2.gz UJNOXRVUYGVAQH-UHFFFAOYSA-N 0 1 469.611 3.479 50 0 JGAAMN CCOC(=O)[C@@H]1CCCN(c2nc3cc(OC)c(OC)cc3cc2CNCc2cn(C)nc2C)C1 ZINC000014997814 521122117 /nfs/dbraw/zinc/12/21/17/521122117.db2.gz PKUHDMWVMMMJPE-GOSISDBHSA-N 0 1 481.597 3.363 50 0 JGAAMN CCN1CCN(c2ncnc3sc(C(=O)NCc4cc(OC)ccc4OC)c(C)c32)CC1 ZINC000033048359 521701809 /nfs/dbraw/zinc/70/18/09/521701809.db2.gz IKDSSTLKLGHXKH-UHFFFAOYSA-N 0 1 455.584 3.089 50 0 JGAAMN CC[C@@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033033929 522214681 /nfs/dbraw/zinc/21/46/81/522214681.db2.gz HBLAPNHVHDLYHC-OAHLLOKOSA-N 0 1 450.992 3.079 50 0 JGAAMN CC[C@H](Sc1nc2ccccc2c(=O)n1NC(=O)c1cccs1)C(=O)NCc1cccnc1 ZINC000008662231 522924688 /nfs/dbraw/zinc/92/46/88/522924688.db2.gz KAQYMOUPEKRUKE-SFHVURJKSA-N 0 1 479.587 3.424 50 0 JGAAMN COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2 ZINC000014882711 522957266 /nfs/dbraw/zinc/95/72/66/522957266.db2.gz HOBFILLZPVBKQN-HXUWFJFHSA-N 0 1 463.582 3.129 50 0 JGAAMN COc1cc2c(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)cn(C)c(=O)c2cc1OC ZINC000004057597 522989768 /nfs/dbraw/zinc/98/97/68/522989768.db2.gz KHBDOWSBWWBBSN-UHFFFAOYSA-N 0 1 499.011 3.151 50 0 JGAAMN COc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1 ZINC000033123215 523076103 /nfs/dbraw/zinc/07/61/03/523076103.db2.gz ZGGQNPDCYIGEEM-UHFFFAOYSA-N 0 1 482.518 3.243 50 0 JGAAMN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](C)O ZINC000036310168 523238382 /nfs/dbraw/zinc/23/83/82/523238382.db2.gz OENXBPCHZLHKNW-UTKZUKDTSA-N 0 1 450.576 3.111 50 0 JGAAMN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000006088837 523390136 /nfs/dbraw/zinc/39/01/36/523390136.db2.gz ORBATJBRWIHPFL-AWNIVKPZSA-N 0 1 497.602 3.429 50 0 JGAAMN CN(Cc1cnn(C)c1)Cc1ccc(OC2CCN(C(=O)C[C@@H]3NC(=O)c4ccccc43)CC2)cc1 ZINC000014970207 523515743 /nfs/dbraw/zinc/51/57/43/523515743.db2.gz CIBHFPKBCJDWMY-SANMLTNESA-N 0 1 487.604 3.297 50 0 JGAAMN COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cnn(-c3ccccc3)c1)CC2 ZINC000014731671 523799977 /nfs/dbraw/zinc/79/99/77/523799977.db2.gz QAGUKLAJSLJATL-UHFFFAOYSA-N 0 1 499.615 3.285 50 0 JGAAMN CC[C@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000033034056 523997766 /nfs/dbraw/zinc/99/77/66/523997766.db2.gz HHXOYBAXUYRBBL-INIZCTEOSA-N 0 1 465.019 3.387 50 0 JGAAMN CC[C@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033033931 523998431 /nfs/dbraw/zinc/99/84/31/523998431.db2.gz HBLAPNHVHDLYHC-HNNXBMFYSA-N 0 1 450.992 3.079 50 0 JGAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3nnc(C(=O)Nc4ccc(F)cc4)s3)CC2)c1 ZINC000033060291 524125064 /nfs/dbraw/zinc/12/50/64/524125064.db2.gz BALGZRBLOSDXAR-UHFFFAOYSA-N 0 1 496.612 3.488 50 0 JGAAMN Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NC3CCCC3)ccc2N2CC[NH2+]CC2)c1 ZINC000033034242 524192419 /nfs/dbraw/zinc/19/24/19/524192419.db2.gz JSOSQIZHTVTIQA-UHFFFAOYSA-N 0 1 456.612 3.186 50 0 JGAAMN Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)C[C@@H](C)c2ccccc2)c(C)c1 ZINC000045944564 524314223 /nfs/dbraw/zinc/31/42/23/524314223.db2.gz ZGPGBALPIZECBR-JOCHJYFZSA-N 0 1 457.640 3.228 50 0 JGAAMN Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NC3CCCC3)ccc2N2CC[NH2+]CC2)c(C)c1 ZINC000033034293 524325024 /nfs/dbraw/zinc/32/50/24/524325024.db2.gz JGQBJFLQZOEYDU-UHFFFAOYSA-N 0 1 470.639 3.495 50 0 JGAAMN Cc1ccc(CN(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)[C@H]2CCc3ccccc32)cc1 ZINC000048290766 524404318 /nfs/dbraw/zinc/40/43/18/524404318.db2.gz HAWCTOYFIIGAHK-VWLOTQADSA-N 0 1 463.603 3.448 50 0 JGAAMN COc1ccccc1N1CCN([C@H]2CN(Cc3cnc(-c4ccccc4)s3)C[C@@H]2O)CC1 ZINC000020448756 524561127 /nfs/dbraw/zinc/56/11/27/524561127.db2.gz VWEDPFFMIYSMAS-GOTSBHOMSA-N 0 1 450.608 3.186 50 0 JGAAMN COc1ccc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000022530014 524604650 /nfs/dbraw/zinc/60/46/50/524604650.db2.gz IKSIFEOIXLSUSH-ZDUSSCGKSA-N 0 1 451.520 3.124 50 0 JGAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)Cn2ncc3c4ccccc4[nH]c3c2=O)CC1 ZINC000008591295 524734457 /nfs/dbraw/zinc/73/44/57/524734457.db2.gz XAODJDPQVRFXFJ-UHFFFAOYSA-N 0 1 493.011 3.168 50 0 JGAAMN Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)Cc3ccccc3)ccc2N2CC[NH2+]CC2)c1 ZINC000033033920 524807757 /nfs/dbraw/zinc/80/77/57/524807757.db2.gz UFKGIBOUSJLIDF-UHFFFAOYSA-N 0 1 478.618 3.478 50 0 JGAAMN COc1ccc(OC)c(NS(=O)(=O)c2cc(-c3c(C)nn4c3NC(=O)CCC4=O)ccc2C)c1 ZINC000033123085 524871064 /nfs/dbraw/zinc/87/10/64/524871064.db2.gz UCESQAMAQYJOMI-UHFFFAOYSA-N 0 1 484.534 3.357 50 0 JGAAMN Cc1cc(N2CCCC2)nc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)n1 ZINC000048985019 525061870 /nfs/dbraw/zinc/06/18/70/525061870.db2.gz OFYOOKITJCZYHP-UHFFFAOYSA-N 0 1 450.370 3.420 50 0 JGAAMN Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000064977952 525064125 /nfs/dbraw/zinc/06/41/25/525064125.db2.gz PMNNDXYKXYXJLY-UHFFFAOYSA-N 0 1 451.596 3.439 50 0 JGAAMN COc1ccc(S(=O)(=O)NC[C@H](c2cccnc2)N2CCN(Cc3ccccc3)CC2)cc1C ZINC000022784522 525064999 /nfs/dbraw/zinc/06/49/99/525064999.db2.gz QBVOPFGNOMBTDZ-RUZDIDTESA-N 0 1 480.634 3.236 50 0 JGAAMN Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)NCc2ccccc2)ccc1N1CC[NH2+]CC1 ZINC000033033886 525331990 /nfs/dbraw/zinc/33/19/90/525331990.db2.gz HZDUDYAWFHQDQJ-UHFFFAOYSA-N 0 1 464.591 3.135 50 0 JGAAMN Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCC[C@H](C)C3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033181 525591881 /nfs/dbraw/zinc/59/18/81/525591881.db2.gz UQNSGLCTKLUCCT-IBGZPJMESA-N 0 1 456.612 3.078 50 0 JGAAMN Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccccc3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033871 525594212 /nfs/dbraw/zinc/59/42/12/525594212.db2.gz PGKXQJJVHLNZCL-UHFFFAOYSA-N 0 1 464.591 3.135 50 0 JGAAMN Cc1c(C(=O)NCCCN2CCCc3ccccc32)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048318 525610565 /nfs/dbraw/zinc/61/05/65/525610565.db2.gz UKQSTTSVZLCBBV-UHFFFAOYSA-N 0 1 464.639 3.324 50 0 JGAAMN COc1cccc(CNCCNC(=O)c2nonc2N)c1OCc1ccc(Cl)cc1Cl ZINC000016228240 526017105 /nfs/dbraw/zinc/01/71/05/526017105.db2.gz NJOUSDWBZOJFNP-UHFFFAOYSA-N 0 1 466.325 3.066 50 0 JGAAMN COc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3C)c(=O)[nH]2)c1 ZINC000016840134 526179724 /nfs/dbraw/zinc/17/97/24/526179724.db2.gz WOAOLKCFNMLZHN-UHFFFAOYSA-N 0 1 459.549 3.371 50 0 JGAAMN O[C@H](COC[C@H]1COc2ccccc2O1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000022573377 526283485 /nfs/dbraw/zinc/28/34/85/526283485.db2.gz MBOPIIDHRNHUDB-PMACEKPBSA-N 0 1 452.473 3.045 50 0 JGAAMN Cc1noc(C)c1CC(=O)N1CCC(Oc2ccc(CN(C)Cc3cnn(C)c3)cc2)CC1 ZINC000014982544 526478133 /nfs/dbraw/zinc/47/81/33/526478133.db2.gz 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Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NC[C@H](c3ccco3)N3CCCC3)c12 ZINC000014252599 555754650 /nfs/dbraw/zinc/75/46/50/555754650.db2.gz JKJRBWFJKHTBCB-GHTZIAJQSA-N 0 1 497.621 3.137 50 0 JGAAMN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(CC3CCCC3)n2)cc1 ZINC000011498639 555784432 /nfs/dbraw/zinc/78/44/32/555784432.db2.gz GQZLHZWEIXVFTO-UHFFFAOYSA-N 0 1 451.618 3.299 50 0 JGAAMN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nc(CC3CCCC3)n[nH]2)cc1 ZINC000011498639 555784434 /nfs/dbraw/zinc/78/44/34/555784434.db2.gz GQZLHZWEIXVFTO-UHFFFAOYSA-N 0 1 451.618 3.299 50 0 JGAAMN Cc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[nH]2)c1 ZINC000020355889 555784855 /nfs/dbraw/zinc/78/48/55/555784855.db2.gz AEVDJEGBQSXHPG-UHFFFAOYSA-N 0 1 494.392 3.404 50 0 JGAAMN O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 ZINC000011698048 555804510 /nfs/dbraw/zinc/80/45/10/555804510.db2.gz XGUBNHLCFCGRHX-UHFFFAOYSA-N 0 1 464.473 3.145 50 0 JGAAMN CCOC(=O)C1C(CN2CCN(c3ccc(C)cc3C)CC2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020557878 555809262 /nfs/dbraw/zinc/80/92/62/555809262.db2.gz PSZWGKOYOMWLMD-DEOSSOPVSA-N 0 1 466.557 3.436 50 0 JGAAMN CCOC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560275 555811046 /nfs/dbraw/zinc/81/10/46/555811046.db2.gz UCNGDRJKOFETKL-QHCPKHFHSA-N 0 1 452.530 3.127 50 0 JGAAMN CN1CCN(c2ccc(NC(=O)Cn3c(COc4ccccc4)nc4ccccc43)cn2)CC1 ZINC000014521673 555816672 /nfs/dbraw/zinc/81/66/72/555816672.db2.gz SOPFJGFQQPFLES-UHFFFAOYSA-N 0 1 456.550 3.401 50 0 JGAAMN CN1CCCN(C(=O)c2cc(NC[C@@H]3CC=CCC3)cc(S(=O)(=O)NC(C)(C)C)c2)CC1 ZINC000014533779 555821870 /nfs/dbraw/zinc/82/18/70/555821870.db2.gz DOVOBPAVESTPFS-LJQANCHMSA-N 0 1 462.660 3.309 50 0 JGAAMN COCCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CCN(Cc1cn(C)nc1C)CC2 ZINC000014534539 555823241 /nfs/dbraw/zinc/82/32/41/555823241.db2.gz PAQPFRFNMZLTDY-UHFFFAOYSA-N 0 1 475.593 3.327 50 0 JGAAMN CC(=O)N1CCC(N2CCN(c3cccc4c3C(=O)N(Cc3ccc(Cl)cc3)C4=O)CC2)CC1 ZINC000011791406 555827779 /nfs/dbraw/zinc/82/77/79/555827779.db2.gz MYJRXHJSTPUEEL-UHFFFAOYSA-N 0 1 480.996 3.269 50 0 JGAAMN Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H](N1CCN(c3ccccc3O)CC1)C2 ZINC000014539243 555828974 /nfs/dbraw/zinc/82/89/74/555828974.db2.gz UYXWOPZTZJTBEE-QFIPXVFZSA-N 0 1 471.605 3.004 50 0 JGAAMN COc1cc(=O)n2c(c1C(=O)N(C)Cc1nonc1C)CCN(Cc1ccc(CC(C)C)cc1)CC2 ZINC000020600279 555841713 /nfs/dbraw/zinc/84/17/13/555841713.db2.gz JOCGAJNUDXXPOB-UHFFFAOYSA-N 0 1 493.608 3.077 50 0 JGAAMN COc1ccccc1CNC(=O)c1c(OC)cc(=O)n2c1CCN(Cc1cc(C)cc(C)c1)CC2 ZINC000020600449 555841807 /nfs/dbraw/zinc/84/18/07/555841807.db2.gz LNAVCZNSLWESAS-UHFFFAOYSA-N 0 1 475.589 3.471 50 0 JGAAMN CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2 ZINC000015000393 555845110 /nfs/dbraw/zinc/84/51/10/555845110.db2.gz BSVOQAHSVMMOHJ-DEOSSOPVSA-N 0 1 483.638 3.162 50 0 JGAAMN CCOc1ccc([C@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)N2CCCCC2)cc1 ZINC000011998699 555881441 /nfs/dbraw/zinc/88/14/41/555881441.db2.gz RAWUTDHEYPPREC-QHCPKHFHSA-N 0 1 485.606 3.109 50 0 JGAAMN O=C1Nc2ccccc2[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000015303570 555894052 /nfs/dbraw/zinc/89/40/52/555894052.db2.gz IQHSMWFULVSKCF-QUIZSENMSA-N 0 1 462.509 3.336 50 0 biogenic JGAAMN COc1ccc(/C=C/C(=O)N2CCc3c(cnc(C)c3CNC(=O)CN3CCCCC3)C2)cc1 ZINC000012098847 555906150 /nfs/dbraw/zinc/90/61/50/555906150.db2.gz IZDRWFNNILEHAQ-DHZHZOJOSA-N 0 1 462.594 3.099 50 0 JGAAMN CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)c1ccc(-c3ccccc3)cc1)CC2 ZINC000012100216 555907732 /nfs/dbraw/zinc/90/77/32/555907732.db2.gz ZTJMIMUFIHHPAJ-DEOSSOPVSA-N 0 1 488.636 3.409 50 0 JGAAMN COCCCN1C(=O)C[C@](CC(=O)N(C)CCc2nc3ccc(F)cc3[nH]2)(c2ccccc2C)C1=O ZINC000012150360 555922487 /nfs/dbraw/zinc/92/24/87/555922487.db2.gz UTIMSBXDTGLHMB-HHHXNRCGSA-N 0 1 494.567 3.135 50 0 JGAAMN COCC(=O)Nc1cc2ncn(Cc3ccc(F)cc3)c2c(C(=O)N(C)Cc2cc(C)[nH]n2)c1 ZINC000012241868 555945612 /nfs/dbraw/zinc/94/56/12/555945612.db2.gz ODKQOWYZWLPXGU-UHFFFAOYSA-N 0 1 464.501 3.112 50 0 JGAAMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000015680570 555948513 /nfs/dbraw/zinc/94/85/13/555948513.db2.gz QJMSXJJTZZIUAO-UHFFFAOYSA-N 0 1 481.397 3.047 50 0 JGAAMN COc1ccc(CC(=O)N2CCN(C(=O)c3cc(-c4ccc(C)c(C)c4)[nH]n3)CC2)cc1OC ZINC000015680672 555949033 /nfs/dbraw/zinc/94/90/33/555949033.db2.gz PGMGTRDXSOJNSE-UHFFFAOYSA-N 0 1 462.550 3.238 50 0 JGAAMN CC(C)(C)c1ccc(OCCOC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022916665 555970736 /nfs/dbraw/zinc/97/07/36/555970736.db2.gz ALGGZBCALNHNMI-HSZRJFAPSA-N 0 1 470.610 3.287 50 0 JGAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000022917784 555971557 /nfs/dbraw/zinc/97/15/57/555971557.db2.gz ZTWRPNDCPHXCBG-HSZRJFAPSA-N 0 1 468.985 3.329 50 0 JGAAMN O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000012450903 555980791 /nfs/dbraw/zinc/98/07/91/555980791.db2.gz AYFLVMPRCARBCT-HXUWFJFHSA-N 0 1 459.579 3.059 50 0 JGAAMN CN1CC[NH+](CCCN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCCC2)CC1 ZINC000022936385 555989032 /nfs/dbraw/zinc/98/90/32/555989032.db2.gz CGRLWRWCAGNKHL-HHHXNRCGSA-N 0 1 483.657 3.315 50 0 JGAAMN COCC(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)c1 ZINC000023100663 556008144 /nfs/dbraw/zinc/00/81/44/556008144.db2.gz IOTWYYSCSQLCQE-UHFFFAOYSA-N 0 1 469.519 3.333 50 0 JGAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(Nc3ccc(S(N)(=O)=O)cc3)nc2c1 ZINC000012536310 556009297 /nfs/dbraw/zinc/00/92/97/556009297.db2.gz DVIQFCFOXBYUNH-UHFFFAOYSA-N 0 1 474.520 3.028 50 0 JGAAMN COc1ccc2c(c1)C[C@H](NC(=O)NCCCN1CCN(c3cccc(Cl)c3)CC1)CO2 ZINC000015820876 556009652 /nfs/dbraw/zinc/00/96/52/556009652.db2.gz XJQGYCKWXYAJCB-FQEVSTJZSA-N 0 1 458.990 3.164 50 0 JGAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NC3=NC(=O)CN3C)ccc2Cl)cc1 ZINC000012544776 556020758 /nfs/dbraw/zinc/02/07/58/556020758.db2.gz HZSQAKFVOMCZEQ-UHFFFAOYSA-N 0 1 450.904 3.231 50 0 JGAAMN CN1CCN(c2ccccc2NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000012550060 556030675 /nfs/dbraw/zinc/03/06/75/556030675.db2.gz MOTOLGXOYRHFPR-SFHVURJKSA-N 0 1 477.030 3.131 50 0 JGAAMN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000012557160 556044575 /nfs/dbraw/zinc/04/45/75/556044575.db2.gz MBVRTLPSRZHEDS-UHFFFAOYSA-N 0 1 452.385 3.111 50 0 JGAAMN CN(Cc1ccon1)C(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CCN(C)CC1 ZINC000023361416 556049327 /nfs/dbraw/zinc/04/93/27/556049327.db2.gz IWPPCXPNEDKEPL-UHFFFAOYSA-N 0 1 452.530 3.266 50 0 JGAAMN COc1ccc(NC(=O)c2c(NC(=O)CNC[C@@H]3CCCO3)sc3c2CCC3)c(OC)c1 ZINC000015919365 556066984 /nfs/dbraw/zinc/06/69/84/556066984.db2.gz ANOOINPYYXSEHE-HNNXBMFYSA-N 0 1 459.568 3.213 50 0 JGAAMN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)n[nH]2)c(O)c1C ZINC000015952782 556086831 /nfs/dbraw/zinc/08/68/31/556086831.db2.gz PWRJIAQPXCRBNX-UHFFFAOYSA-N 0 1 464.507 3.242 50 0 JGAAMN O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000015958215 556089886 /nfs/dbraw/zinc/08/98/86/556089886.db2.gz IAJSDOKKVFCKFT-GIRPNKPCSA-N 0 1 459.546 3.078 50 0 biogenic JGAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21N[C@@H](C(C)C)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959844 556092146 /nfs/dbraw/zinc/09/21/46/556092146.db2.gz BOXYVJIHBRRNLB-GBWYYYKWSA-N 0 1 451.954 3.268 50 0 biogenic JGAAMN CCc1ccc2c(c1)[C@@]1(N[C@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015969646 556095574 /nfs/dbraw/zinc/09/55/74/556095574.db2.gz BOKHKNPWCQWAOW-YTEUAAESSA-N 0 1 495.579 3.160 50 0 biogenic JGAAMN Cc1cccc2c1NC(=O)[C@]21N[C@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969536 556095617 /nfs/dbraw/zinc/09/56/17/556095617.db2.gz JHDQGHIRUVWOJX-CHCBTGSZSA-N 0 1 465.553 3.201 50 0 biogenic JGAAMN O=C1Nc2ccccc2[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015969571 556095633 /nfs/dbraw/zinc/09/56/33/556095633.db2.gz PEHXKEXIPRFYND-YRIIQKNPSA-N 0 1 490.563 3.374 50 0 biogenic JGAAMN CCc1ccc2c(c1)[C@]1(N[C@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015969644 556095641 /nfs/dbraw/zinc/09/56/41/556095641.db2.gz BOKHKNPWCQWAOW-CPBHOCDRSA-N 0 1 495.579 3.160 50 0 biogenic JGAAMN CSCC[C@H]1N[C@]2(C(=O)Nc3c2cc(C)cc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015969809 556095684 /nfs/dbraw/zinc/09/56/84/556095684.db2.gz RXRYIIZTKXZRTH-PUFAWVJESA-N 0 1 484.021 3.365 50 0 biogenic JGAAMN Cc1ccccc1[C@H](c1c(N)n(CC(C)C)c(=O)n(C)c1=O)N1CCN(c2ccccc2F)CC1 ZINC000023873247 556096806 /nfs/dbraw/zinc/09/68/06/556096806.db2.gz ORPBYMJPADXZNO-XMMPIXPASA-N 0 1 479.600 3.144 50 0 JGAAMN O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000015971748 556096972 /nfs/dbraw/zinc/09/69/72/556096972.db2.gz BKZNMBPJPLQYGO-IMBSWCNGSA-N 0 1 480.499 3.475 50 0 JGAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000015998943 556103990 /nfs/dbraw/zinc/10/39/90/556103990.db2.gz 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CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 ZINC000023024836 556000485 /nfs/dbraw/zinc/00/04/85/556000485.db2.gz WXHCLHYKIRTFCY-QGZVFWFLSA-N 0 1 456.974 3.482 50 0 JGAAMN COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)[NH+](C)C)cc1 ZINC000012532518 556002894 /nfs/dbraw/zinc/00/28/94/556002894.db2.gz OJJPGQKPEBWMCJ-JOCHJYFZSA-N 0 1 497.573 3.257 50 0 JGAAMN O=C(NCC1CCN(Cc2cccc(Cl)c2)CC1)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000015786779 556006415 /nfs/dbraw/zinc/00/64/15/556006415.db2.gz FAPXXMRWTBJURI-UHFFFAOYSA-N 0 1 488.997 3.339 50 0 JGAAMN Cc1[nH]c(SCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nc1Cc1ccccc1 ZINC000012547993 556025357 /nfs/dbraw/zinc/02/53/57/556025357.db2.gz JTVGSWRUOXSIMC-UHFFFAOYSA-N 0 1 481.597 3.323 50 0 JGAAMN O=C(CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)N1CCCC1 ZINC000012548696 556027613 /nfs/dbraw/zinc/02/76/13/556027613.db2.gz FHGRJFLQRFSZMR-UHFFFAOYSA-N 0 1 497.602 3.244 50 0 JGAAMN Cc1ccccc1CN1CCN(Cn2nc(N3CCOCC3)n(Cc3ccccc3)c2=S)CC1 ZINC000023257481 556036359 /nfs/dbraw/zinc/03/63/59/556036359.db2.gz AZZJMVFWPRJGKT-UHFFFAOYSA-N 0 1 478.666 3.383 50 0 JGAAMN CCOC(=O)CCC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 ZINC000012556922 556043822 /nfs/dbraw/zinc/04/38/22/556043822.db2.gz CRLNSWTZUBWUKU-UHFFFAOYSA-N 0 1 450.513 3.177 50 0 JGAAMN CCOc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1S(=O)(=O)N1CCCCC1 ZINC000012557106 556044183 /nfs/dbraw/zinc/04/41/83/556044183.db2.gz DDTIQZCHYFGDKK-UHFFFAOYSA-N 0 1 460.524 3.339 50 0 JGAAMN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000012557141 556044654 /nfs/dbraw/zinc/04/46/54/556044654.db2.gz QFBYNOKEKSFXIH-OAQYLSRUSA-N 0 1 463.519 3.180 50 0 JGAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccccc2)N[C@@]32c3ccccc3NC2=O)cc1 ZINC000015957624 556089046 /nfs/dbraw/zinc/08/90/46/556089046.db2.gz OGYGCZAATNJRPJ-MVPDCNEZSA-N 0 1 495.535 3.031 50 0 biogenic JGAAMN O=C1Nc2ccccc2[C@]12N[C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000015958217 556089946 /nfs/dbraw/zinc/08/99/46/556089946.db2.gz IAJSDOKKVFCKFT-NBCVKUGOSA-N 0 1 459.546 3.078 50 0 biogenic JGAAMN O=C1Nc2ccccc2[C@@]12N[C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000015958216 556089967 /nfs/dbraw/zinc/08/99/67/556089967.db2.gz IAJSDOKKVFCKFT-LAWREARLSA-N 0 1 459.546 3.078 50 0 biogenic JGAAMN CSCC[C@@H]1N[C@@]2(C(=O)Nc3c2ccc(Cl)c3C)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015959748 556091716 /nfs/dbraw/zinc/09/17/16/556091716.db2.gz OWTJMCQRZRBACN-PBQROFAYSA-N 0 1 484.021 3.365 50 0 biogenic JGAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21N[C@@H](C(C)C)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959846 556092032 /nfs/dbraw/zinc/09/20/32/556092032.db2.gz BOXYVJIHBRRNLB-AJGMTHFWSA-N 0 1 451.954 3.268 50 0 biogenic JGAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21N[C@@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959811 556092125 /nfs/dbraw/zinc/09/21/25/556092125.db2.gz JSLZSEDPJJJCGU-SODQHWRNSA-N 0 1 495.579 3.215 50 0 biogenic JGAAMN Cc1cccc2c1NC(=O)[C@]21N[C@@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969533 556095665 /nfs/dbraw/zinc/09/56/65/556095665.db2.gz JHDQGHIRUVWOJX-MVPDCNEZSA-N 0 1 465.553 3.201 50 0 biogenic JGAAMN Cc1cccc2c1NC(=O)[C@@]21N[C@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969535 556095722 /nfs/dbraw/zinc/09/57/22/556095722.db2.gz JHDQGHIRUVWOJX-IDCDSMMUSA-N 0 1 465.553 3.201 50 0 biogenic JGAAMN CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]21 ZINC000016012754 556111663 /nfs/dbraw/zinc/11/16/63/556111663.db2.gz PASWQPIAWIJMRK-FAODYONGSA-N 0 1 455.967 3.327 50 0 JGAAMN CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]21 ZINC000016013103 556112060 /nfs/dbraw/zinc/11/20/60/556112060.db2.gz SAOCOIPAZPHALZ-FAODYONGSA-N 0 1 455.967 3.327 50 0 JGAAMN COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)N[C@]21C(=O)Nc2ccccc21 ZINC000016012971 556112131 /nfs/dbraw/zinc/11/21/31/556112131.db2.gz BRVYNSBYARWKGD-XHOYROJHSA-N 0 1 453.926 3.238 50 0 JGAAMN O=C1Nc2ccc(F)cc2[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000016021334 556113750 /nfs/dbraw/zinc/11/37/50/556113750.db2.gz CDNVVDHSNSMDGL-GBXYDCMPSA-N 0 1 494.526 3.470 50 0 JGAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccccc32)c1 ZINC000016026352 556116415 /nfs/dbraw/zinc/11/64/15/556116415.db2.gz LVIRZOOCUHJQQF-ANARSLNQSA-N 0 1 492.535 3.344 50 0 biogenic JGAAMN Cc1ccc2c(c1)[C@@]1(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000016032950 556117067 /nfs/dbraw/zinc/11/70/67/556117067.db2.gz OGHHVYUYOFZOLH-JLMYGFKKSA-N 0 1 465.553 3.201 50 0 biogenic JGAAMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)N3CCCc4cc(S(=O)(=O)N(C)C)ccc43)n2)o1 ZINC000012843859 556117138 /nfs/dbraw/zinc/11/71/38/556117138.db2.gz RBCJRFBCRRQUSE-DHZHZOJOSA-N 0 1 487.607 3.198 50 0 JGAAMN CCOc1ccc([C@@H](NCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C(C)C)cc1OCC ZINC000024777969 556155217 /nfs/dbraw/zinc/15/52/17/556155217.db2.gz XEICGRAHKSJKMO-ADUWNVSDSA-N 0 1 474.602 3.303 50 0 JGAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2cccnc2-n2cccn2)cc1 ZINC000024794410 556155770 /nfs/dbraw/zinc/15/57/70/556155770.db2.gz ANMQRLRYLWMIJG-UHFFFAOYSA-N 0 1 463.519 3.007 50 0 JGAAMN O=C(c1ccc(O)c(Cl)c1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000025039997 556172860 /nfs/dbraw/zinc/17/28/60/556172860.db2.gz UDCZGWZBUZGAHJ-UHFFFAOYSA-N 0 1 465.778 3.016 50 0 JGAAMN Cc1cc(=O)c(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)nn1-c1ccccc1C(F)(F)F ZINC000013003462 556195958 /nfs/dbraw/zinc/19/59/58/556195958.db2.gz NEMRSCTXXNBNJZ-GOSISDBHSA-N 0 1 458.484 3.462 50 0 JGAAMN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000025155297 556196040 /nfs/dbraw/zinc/19/60/40/556196040.db2.gz HZAADMJMIRYIGG-MRXNPFEDSA-N 0 1 450.465 3.239 50 0 JGAAMN Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)n(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1 ZINC000017011751 556201723 /nfs/dbraw/zinc/20/17/23/556201723.db2.gz DHCVAUAASOQZMP-KRWDZBQOSA-N 0 1 494.515 3.007 50 0 JGAAMN COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1 ZINC000017012649 556202776 /nfs/dbraw/zinc/20/27/76/556202776.db2.gz MWKVWZWKVVRZJL-UHFFFAOYSA-N 0 1 473.643 3.202 50 0 JGAAMN C[N@H+]1CCN2c3ccc(C(F)(F)F)cc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000025185524 556204396 /nfs/dbraw/zinc/20/43/96/556204396.db2.gz NLFBERLHILQLTK-AVRDEDQJSA-N 0 1 458.440 3.492 50 0 JGAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(N3CCOCC3)n2)cc1 ZINC000017026555 556206586 /nfs/dbraw/zinc/20/65/86/556206586.db2.gz BBXBVOQSLJOJML-UHFFFAOYSA-N 0 1 469.567 3.483 50 0 JGAAMN CCOC(=O)C1C(COC(=O)c2ccc3c[nH]nc3c2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000025791462 556236469 /nfs/dbraw/zinc/23/64/69/556236469.db2.gz UPTWFDOVXVPNQP-IBGZPJMESA-N 0 1 454.870 3.244 50 0 JGAAMN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)cc3)[nH]c2=O)cc1 ZINC000017308148 556255907 /nfs/dbraw/zinc/25/59/07/556255907.db2.gz WJBVARUJTBHLQY-UHFFFAOYSA-N 0 1 459.549 3.453 50 0 JGAAMN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C)c3)[nH]c2=O)cc1 ZINC000017308156 556255915 /nfs/dbraw/zinc/25/59/15/556255915.db2.gz QFCRRRYRCMCQQD-UHFFFAOYSA-N 0 1 459.549 3.453 50 0 JGAAMN CC(C)CCN(C(=O)CN1CCC[C@H]1c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013062900 556258359 /nfs/dbraw/zinc/25/83/59/556258359.db2.gz MVILYDUFXUHTDX-FQEVSTJZSA-N 0 1 495.649 3.445 50 0 JGAAMN COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000018010104 556276007 /nfs/dbraw/zinc/27/60/07/556276007.db2.gz HUVYUNNXTTZJFY-UHFFFAOYSA-N 0 1 487.622 3.261 50 0 JGAAMN COc1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000027591116 556300978 /nfs/dbraw/zinc/30/09/78/556300978.db2.gz XSHNUZXMHHGPNE-LAUBAEHRSA-N 0 1 477.602 3.430 50 0 JGAAMN COc1ccccc1[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCCC1 ZINC000013115179 556322165 /nfs/dbraw/zinc/32/21/65/556322165.db2.gz UKTUPMXKZBQSGR-HSZRJFAPSA-N 0 1 483.590 3.334 50 0 JGAAMN CCOC(=O)C1C(CN2CCN(c3cccc(Cl)c3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000018709030 556323748 /nfs/dbraw/zinc/32/37/48/556323748.db2.gz WFPPXOKLPACEJZ-HSZRJFAPSA-N 0 1 484.984 3.342 50 0 JGAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3Cl)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000018709141 556323885 /nfs/dbraw/zinc/32/38/85/556323885.db2.gz JPRVJHQDRHUPFT-HSZRJFAPSA-N 0 1 484.984 3.342 50 0 JGAAMN CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(c3cc4ccccc4oc3=O)=NC2=O)cc1 ZINC000018992400 556326553 /nfs/dbraw/zinc/32/65/53/556326553.db2.gz MQLUYLIFNGVQNO-GOSISDBHSA-N 0 1 450.472 3.387 50 0 JGAAMN COc1ccc([C@@H](CNC(=O)CSc2nnnn2Cc2ccccc2)N2CCCCC2)cc1 ZINC000029799933 556358040 /nfs/dbraw/zinc/35/80/40/556358040.db2.gz BIABUOHWMLVEPK-JOCHJYFZSA-N 0 1 466.611 3.166 50 0 JGAAMN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000013133940 556360564 /nfs/dbraw/zinc/36/05/64/556360564.db2.gz HJSMVAMGLHPJSH-UHFFFAOYSA-N 0 1 463.560 3.372 50 0 JGAAMN COc1ccc([C@@H](CNC(=O)CSc2nnnn2-c2ccc(C)cc2)N2CCCCC2)cc1 ZINC000029990214 556361805 /nfs/dbraw/zinc/36/18/05/556361805.db2.gz LYYDRCZXGJGTMQ-JOCHJYFZSA-N 0 1 466.611 3.415 50 0 JGAAMN COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1F)C(C)C ZINC000031811534 556406476 /nfs/dbraw/zinc/40/64/76/556406476.db2.gz OAQHDLKVNYIFQD-DOTOQJQBSA-N 0 1 453.312 3.166 50 0 JGAAMN CCOC(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)c4ccccc4)cc32)CC1 ZINC000032093444 556415149 /nfs/dbraw/zinc/41/51/49/556415149.db2.gz FOFFMBGYMDOTNU-OAQYLSRUSA-N 0 1 450.495 3.320 50 0 JGAAMN CCN1CCN(c2ccccc2NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000032504957 556438923 /nfs/dbraw/zinc/43/89/23/556438923.db2.gz RWPFMQRUSQSSNK-UHFFFAOYSA-N 0 1 462.591 3.007 50 0 JGAAMN CSc1nc2nc(C)c(CC(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)c(C)n2n1 ZINC000032820809 556504493 /nfs/dbraw/zinc/50/44/93/556504493.db2.gz YCSGAUHSVZEAKJ-UHFFFAOYSA-N 0 1 459.019 3.440 50 0 JGAAMN CS(=O)(=O)Nc1cccc(CNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000032891564 556524037 /nfs/dbraw/zinc/52/40/37/556524037.db2.gz KXZSFFBOUZYJTL-UHFFFAOYSA-N 0 1 450.992 3.175 50 0 JGAAMN O=C(NCc1ccco1)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2c1=O ZINC000008595092 562943729 /nfs/dbraw/zinc/94/37/29/562943729.db2.gz HHYVMGOQFXRDJR-UHFFFAOYSA-N 0 1 459.430 3.130 50 0 JGAAMN Cc1cccc(C)c1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3ccco3)c(=O)c2c1 ZINC000006181333 569588473 /nfs/dbraw/zinc/58/84/73/569588473.db2.gz KDBBFZMIDGKBHB-UHFFFAOYSA-N 0 1 465.531 3.493 50 0 JGAAMN CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1S(=O)(=O)N1CCCC1 ZINC000008704033 569593857 /nfs/dbraw/zinc/59/38/57/569593857.db2.gz FQWSMGRBEDJHBW-UHFFFAOYSA-N 0 1 487.607 3.386 50 0 JGAAMN CCOC(=O)C1=C(CN2CCN(c3ccccc3Cl)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000057414382 569599794 /nfs/dbraw/zinc/59/97/94/569599794.db2.gz FQSNTWNSBDPUSG-JOCHJYFZSA-N 0 1 454.958 3.333 50 0 JGAAMN CCc1ccc([C@@H]2NC(=O)NC(CN3CCC(NC(=O)OC(C)(C)C)CC3)=C2C(=O)OC)cc1 ZINC000057415179 569600700 /nfs/dbraw/zinc/60/07/00/569600700.db2.gz OMOFAANEGLBOJG-NRFANRHFSA-N 0 1 472.586 3.019 50 0 JGAAMN 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ZINC000032974218 569605379 /nfs/dbraw/zinc/60/53/79/569605379.db2.gz ZBTXTPBIYMLBGJ-UHFFFAOYSA-N 0 1 462.638 3.171 50 0 JGAAMN COc1ccccc1[C@@H](CNC(=O)Cc1c(C)nc2nc(SC)nn2c1C)N1CCCCC1 ZINC000059782802 569607658 /nfs/dbraw/zinc/60/76/58/569607658.db2.gz AYXYRUFJRNNTNS-HXUWFJFHSA-N 0 1 468.627 3.358 50 0 JGAAMN CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5F)CC4)[C@H]3C[C@]21O ZINC000061996981 569609595 /nfs/dbraw/zinc/60/95/95/569609595.db2.gz ZYQCHTPYTIDECE-VTKWLLCYSA-N 0 1 460.590 3.226 50 0 biogenic JGAAMN Cc1cc2nc(C)c(=O)n(CCC(=O)NCCCN3CCN(c4ccccc4)CC3)c2cc1C ZINC000033005709 569614450 /nfs/dbraw/zinc/61/44/50/569614450.db2.gz KBDZTZAJIRWEEN-UHFFFAOYSA-N 0 1 461.610 3.040 50 0 JGAAMN CCn1c2ccccc2nc(SCC(=O)NCCCN2CCN(c3cc(C)ccc3C)CC2)c1=O ZINC000033006506 569614882 /nfs/dbraw/zinc/61/48/82/569614882.db2.gz PUICWJBBZINSGA-UHFFFAOYSA-N 0 1 493.677 3.454 50 0 JGAAMN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3F)[nH]c2=O)cc1 ZINC000064592076 569622270 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COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)NC(=O)c2ccccc2OC)cc1 ZINC000009983076 555582490 /nfs/dbraw/zinc/58/24/90/555582490.db2.gz GPIUYBGIDQGNKT-UHFFFAOYSA-N 0 1 490.512 3.389 50 0 JGAAMN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(C)(=O)=O)cc2)c1 ZINC000010060238 555612362 /nfs/dbraw/zinc/61/23/62/555612362.db2.gz DUKVGBPJZPNYQL-UHFFFAOYSA-N 0 1 459.549 3.420 50 0 JGAAMN CCOC(=O)C1C(COC(=O)CCc2c(C)nn(C)c2C)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000010199301 555645692 /nfs/dbraw/zinc/64/56/92/555645692.db2.gz VCXAQEUYBJZRCF-NRFANRHFSA-N 0 1 474.945 3.037 50 0 JGAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)NCc3ccc(F)cc3)cc12 ZINC000020136147 555660428 /nfs/dbraw/zinc/66/04/28/555660428.db2.gz KHCFFHJDDANJJF-UHFFFAOYSA-N 0 1 463.557 3.469 50 0 JGAAMN O=C(CSc1ncc(S(=O)(=O)c2ccccc2)c(=O)[nH]1)Nc1ccc(Br)cc1 ZINC000010433691 555707970 /nfs/dbraw/zinc/70/79/70/555707970.db2.gz AHWVFBKPIWCRHJ-UHFFFAOYSA-N 0 1 480.365 3.096 50 0 JGAAMN O=C(CSc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)[nH]1)N1CCCc2ccccc21 ZINC000010433708 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O=C1Nc2ccccc2[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000015303564 555894003 /nfs/dbraw/zinc/89/40/03/555894003.db2.gz IQHSMWFULVSKCF-NLJXWPIHSA-N 0 1 462.509 3.336 50 0 biogenic JGAAMN O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000015303561 555894031 /nfs/dbraw/zinc/89/40/31/555894031.db2.gz IQHSMWFULVSKCF-IMBSWCNGSA-N 0 1 462.509 3.336 50 0 biogenic JGAAMN COC(=O)C1CCN(Cc2ccc3c(c2)CN(C(=O)CCC(=O)c2ccc(OC)cc2)CCO3)CC1 ZINC000012050272 555895675 /nfs/dbraw/zinc/89/56/75/555895675.db2.gz BMONTYKLXCDBMF-UHFFFAOYSA-N 0 1 494.588 3.464 50 0 JGAAMN C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000015320402 555897812 /nfs/dbraw/zinc/89/78/12/555897812.db2.gz PZRKRIYAPBIAMG-NBWROZBJSA-N 0 1 455.489 3.365 50 0 JGAAMN COc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)CC2)cc1OC ZINC000015680769 555949267 /nfs/dbraw/zinc/94/92/67/555949267.db2.gz ORXFXAJKFYSBJT-UHFFFAOYSA-N 0 1 499.365 3.455 50 0 JGAAMN COc1ccccc1-c1cc(C(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)n[nH]1 ZINC000015730193 555971307 /nfs/dbraw/zinc/97/13/07/555971307.db2.gz WXGLDXMTBCSAGW-UHFFFAOYSA-N 0 1 484.560 3.210 50 0 JGAAMN COc1ccccc1CN(C1CCN(C)CC1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000015731725 555975054 /nfs/dbraw/zinc/97/50/54/555975054.db2.gz AUVRKVLBUTXVIQ-UHFFFAOYSA-N 0 1 471.623 3.234 50 0 JGAAMN COc1cc(C(=O)NC[C@H](c2cccnc2)N2CCN(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000023203201 556031300 /nfs/dbraw/zinc/03/13/00/556031300.db2.gz NBLQEYZPICBACW-XMMPIXPASA-N 0 1 490.604 3.396 50 0 JGAAMN CCc1ccc(CN(CC(=O)N2CCNCC2)S(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000015864294 556038932 /nfs/dbraw/zinc/03/89/32/556038932.db2.gz HTZQYFPIKRZDAD-UHFFFAOYSA-N 0 1 457.640 3.070 50 0 JGAAMN COc1cc(=O)n2c(c1C(=O)N(C)Cc1nccs1)CCN(Cc1ccc3ncccc3c1)CC2 ZINC000023339823 556047612 /nfs/dbraw/zinc/04/76/12/556047612.db2.gz ZFDLDQQUIQVTSV-UHFFFAOYSA-N 0 1 489.601 3.192 50 0 JGAAMN O=S(=O)(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Br)cc1Cl ZINC000012560811 556053336 /nfs/dbraw/zinc/05/33/36/556053336.db2.gz FGMSXIZRLWHKFJ-UHFFFAOYSA-N 0 1 465.778 3.344 50 0 JGAAMN COc1cc(Br)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)cc1OC ZINC000012583481 556080851 /nfs/dbraw/zinc/08/08/51/556080851.db2.gz GRVDJYDJHQJRER-UHFFFAOYSA-N 0 1 485.356 3.403 50 0 JGAAMN COCCn1c(SC[C@H]2CN(CC(C)C)CCO2)nc2sc3c(c2c1=O)CCCC3 ZINC000023731952 556085966 /nfs/dbraw/zinc/08/59/66/556085966.db2.gz SCAVUXNZUIVEAY-MRXNPFEDSA-N 0 1 451.658 3.432 50 0 JGAAMN Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000015958758 556090234 /nfs/dbraw/zinc/09/02/34/556090234.db2.gz PKMACAFIUXLCMN-UAKAABGRSA-N 0 1 480.362 3.497 50 0 biogenic JGAAMN CSCC[C@H]1N[C@]2(C(=O)Nc3c2ccc(Cl)c3C)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015959747 556091682 /nfs/dbraw/zinc/09/16/82/556091682.db2.gz OWTJMCQRZRBACN-PUFAWVJESA-N 0 1 484.021 3.365 50 0 biogenic JGAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959794 556091978 /nfs/dbraw/zinc/09/19/78/556091978.db2.gz RDYSRHQUYXPDQM-YDXRHMNESA-N 0 1 495.579 3.215 50 0 biogenic JGAAMN CSCC[C@H]1N[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015959955 556092357 /nfs/dbraw/zinc/09/23/57/556092357.db2.gz NYDQPXZBULOORC-FLFXDLLNSA-N 0 1 469.994 3.056 50 0 biogenic JGAAMN CC(C)[C@@H]1N[C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]21 ZINC000015974764 556097465 /nfs/dbraw/zinc/09/74/65/556097465.db2.gz BSHFFXIQQVYQQB-VDNWNZSNSA-N 0 1 454.324 3.030 50 0 JGAAMN CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000015989952 556102194 /nfs/dbraw/zinc/10/21/94/556102194.db2.gz YMAHGKMTVMOTRP-CMCWBKRRSA-N 0 1 480.362 3.295 50 0 JGAAMN COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@]21C(=O)Nc2ccc(C)cc21 ZINC000016001276 556106413 /nfs/dbraw/zinc/10/64/13/556106413.db2.gz KZGDKLQOSJUMPD-ZPIFVSINSA-N 0 1 465.937 3.397 50 0 JGAAMN CN(Cc1ccc(Br)cc1)C(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012770232 556110103 /nfs/dbraw/zinc/11/01/03/556110103.db2.gz MQJJTDYUGJQUTF-UHFFFAOYSA-N 0 1 460.372 3.464 50 0 JGAAMN O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000016011950 556110969 /nfs/dbraw/zinc/11/09/69/556110969.db2.gz AHJDNHYJJDSLBY-MSZDEVHKSA-N 0 1 473.916 3.213 50 0 JGAAMN O=C1Nc2ccc(F)cc2[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000016020585 556113292 /nfs/dbraw/zinc/11/32/92/556113292.db2.gz IETMKNDTYRNTIN-IMBSWCNGSA-N 0 1 480.499 3.475 50 0 JGAAMN O=C1Nc2ccc(F)cc2[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000016020589 556113365 /nfs/dbraw/zinc/11/33/65/556113365.db2.gz IETMKNDTYRNTIN-DFIMXKNXSA-N 0 1 480.499 3.475 50 0 JGAAMN CCCN(Cc1nnc(-c2ccco2)o1)CC1=NC(=O)N[C@@H](c2cccs2)C1C(=O)OCC ZINC000023990004 556114019 /nfs/dbraw/zinc/11/40/19/556114019.db2.gz YDXLNEDYPIOAGM-IBGZPJMESA-N 0 1 471.539 3.474 50 0 JGAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2ccc(F)cc21 ZINC000016025192 556116141 /nfs/dbraw/zinc/11/61/41/556116141.db2.gz KDSKQPRUCKOGCE-MSZDEVHKSA-N 0 1 460.509 3.070 50 0 JGAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccccc32)c1 ZINC000016026354 556116407 /nfs/dbraw/zinc/11/64/07/556116407.db2.gz LVIRZOOCUHJQQF-JLMYGFKKSA-N 0 1 492.535 3.344 50 0 biogenic JGAAMN COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)N[C@]21C(=O)Nc2ccccc21 ZINC000016033877 556117922 /nfs/dbraw/zinc/11/79/22/556117922.db2.gz XXTIDNJEEWOZFN-HZNUMKHLSA-N 0 1 471.966 3.027 50 0 JGAAMN Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)cc2)N[C@]32C(=O)Nc3ccc(F)cc32)c1 ZINC000016033792 556118089 /nfs/dbraw/zinc/11/80/89/556118089.db2.gz IXAFMVQQJFKYBX-IMBSWCNGSA-N 0 1 485.515 3.316 50 0 JGAAMN COc1ccc([C@H](CNC(=O)Cc2c(C)nc3nc(SC)nn3c2C)N2CCCCC2)cc1 ZINC000012925396 556143767 /nfs/dbraw/zinc/14/37/67/556143767.db2.gz KIXSAUMGVXWNCL-NRFANRHFSA-N 0 1 468.627 3.358 50 0 JGAAMN CCOC(=O)c1cc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)ccc2[nH]1 ZINC000024749950 556149091 /nfs/dbraw/zinc/14/90/91/556149091.db2.gz BOBPZCFWBHJPOB-UHFFFAOYSA-N 0 1 465.491 3.188 50 0 JGAAMN O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)NC[C@H](c1ccco1)N1CCCCC1 ZINC000012975180 556167267 /nfs/dbraw/zinc/16/72/67/556167267.db2.gz ZUMUJYIOVYGLEX-QGZVFWFLSA-N 0 1 473.517 3.310 50 0 JGAAMN COc1ccc(OCC(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3ccc(C)cc3)c(=O)[nH]2)cc1 ZINC000016847716 556169610 /nfs/dbraw/zinc/16/96/10/556169610.db2.gz FVWQBURPLMYRMA-UHFFFAOYSA-N 0 1 485.504 3.350 50 0 JGAAMN COc1ccc(S(=O)(=O)Nc2nc(CCC(=O)NCCc3ccc(F)cc3)cs2)cc1 ZINC000016848554 556169906 /nfs/dbraw/zinc/16/99/06/556169906.db2.gz ZGQKZYGTJOMJQW-UHFFFAOYSA-N 0 1 463.556 3.383 50 0 JGAAMN O=C(CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)N(Cc1ccccc1F)C1CC1 ZINC000012993058 556185150 /nfs/dbraw/zinc/18/51/50/556185150.db2.gz TZRWQOKSMIBJGZ-UHFFFAOYSA-N 0 1 453.514 3.396 50 0 JGAAMN COCCn1c(C)cc(O)c([C@@H](c2cccc(OC)c2)N2CCN(c3ccccc3)CC2)c1=O ZINC000016993412 556197521 /nfs/dbraw/zinc/19/75/21/556197521.db2.gz IPRGEUBDBQUWRL-AREMUKBSSA-N 0 1 463.578 3.429 50 0 JGAAMN Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)n1 ZINC000017012777 556202753 /nfs/dbraw/zinc/20/27/53/556202753.db2.gz XDXVMSRTZSFJHS-UHFFFAOYSA-N 0 1 453.568 3.154 50 0 JGAAMN CC(C)CN(C(=O)CN(C)C(c1ccccc1)c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013040135 556242667 /nfs/dbraw/zinc/24/26/67/556242667.db2.gz BRPIRUJDOFSUHM-UHFFFAOYSA-N 0 1 491.636 3.485 50 0 JGAAMN CCCCN(C(=O)CN1CCC[C@@H]1c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013058627 556254194 /nfs/dbraw/zinc/25/41/94/556254194.db2.gz KUUDGQCZMXVIRH-LJQANCHMSA-N 0 1 481.622 3.199 50 0 JGAAMN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C(C)=O)c3)[nH]c2=O)cc1 ZINC000017308158 556256346 /nfs/dbraw/zinc/25/63/46/556256346.db2.gz HOSBSJDCXWTECT-UHFFFAOYSA-N 0 1 487.559 3.347 50 0 JGAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000026566923 556257117 /nfs/dbraw/zinc/25/71/17/556257117.db2.gz ZFVYHIOQUDCACE-UHFFFAOYSA-N 0 1 478.618 3.478 50 0 JGAAMN COc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000027591120 556300843 /nfs/dbraw/zinc/30/08/43/556300843.db2.gz XSHNUZXMHHGPNE-UWJYYQICSA-N 0 1 477.602 3.430 50 0 JGAAMN c1csc(CN2CCN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)CC2)c1 ZINC000013101689 556302394 /nfs/dbraw/zinc/30/23/94/556302394.db2.gz MMQHSQQYDHGPEP-UHFFFAOYSA-N 0 1 455.653 3.396 50 0 JGAAMN COc1ccc([C@@H](CNC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)N2CCCCC2)cc1 ZINC000027667445 556304107 /nfs/dbraw/zinc/30/41/07/556304107.db2.gz LBNBBSTWNSHEJS-YLJYHZDGSA-N 0 1 460.600 3.395 50 0 JGAAMN C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013114817 556321063 /nfs/dbraw/zinc/32/10/63/556321063.db2.gz MJWBCEVCFIBYQI-ZDUSSCGKSA-N 0 1 463.610 3.437 50 0 JGAAMN CCOC(=O)C1C(COC(=O)CCc2c(C)nc3cc(C)nn3c2C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000013118014 556330449 /nfs/dbraw/zinc/33/04/49/556330449.db2.gz BPYTVHIJSMHQDE-XMMPIXPASA-N 0 1 491.548 3.002 50 0 JGAAMN CCOC(=O)C1C(COC(=O)c2c(OC)cccc2OC)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000013120229 556332619 /nfs/dbraw/zinc/33/26/19/556332619.db2.gz QJDHPVNDOJJVOU-FQEVSTJZSA-N 0 1 474.897 3.385 50 0 JGAAMN CC(C)c1csc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)n1 ZINC000028778358 556341179 /nfs/dbraw/zinc/34/11/79/556341179.db2.gz SOGUEBSAGNPUTC-UHFFFAOYSA-N 0 1 457.537 3.489 50 0 JGAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(Cn3ccccc3=O)o2)c1 ZINC000029406041 556351506 /nfs/dbraw/zinc/35/15/06/556351506.db2.gz MWABQFYBQKVQFT-UHFFFAOYSA-N 0 1 495.513 3.257 50 0 JGAAMN CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCN(CCO)CC1)c1ccccc1CC2 ZINC000019593642 556355766 /nfs/dbraw/zinc/35/57/66/556355766.db2.gz QRTACKCQMQQSMJ-UHFFFAOYSA-N 0 1 466.582 3.018 50 0 biogenic JGAAMN O=C(NCCc1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2)c1ccoc1 ZINC000019812947 556382453 /nfs/dbraw/zinc/38/24/53/556382453.db2.gz FWMVVFRTCNRUTQ-UHFFFAOYSA-N 0 1 471.561 3.481 50 0 JGAAMN COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1ccccc1Cn1cccn1 ZINC000032833775 556506895 /nfs/dbraw/zinc/50/68/95/556506895.db2.gz HHZXIDFGZYRSGG-UHFFFAOYSA-N 0 1 450.314 3.281 50 0 JGAAMN COc1ccc(C(=O)N(C)Cc2nnc3n2CCCCC3)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000032865921 556516399 /nfs/dbraw/zinc/51/63/99/556516399.db2.gz BKSWWSJOUDOEMK-UHFFFAOYSA-N 0 1 483.594 3.395 50 0 JGAAMN COc1cccc([C@H](CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)N2CCCC2)c1 ZINC000032907661 556531794 /nfs/dbraw/zinc/53/17/94/556531794.db2.gz IEKPFXHRSQKOEX-QHCPKHFHSA-N 0 1 457.596 3.011 50 0 JGAAMN Cc1cc(C)cc(C(=O)NCCn2ncc3c2ncnc3N2CCN(Cc3ccccc3)CC2)c1 ZINC000056965554 569593847 /nfs/dbraw/zinc/59/38/47/569593847.db2.gz CBHCNFPHPKEGNO-UHFFFAOYSA-N 0 1 469.593 3.195 50 0 JGAAMN COC(=O)C1C(CN2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057414448 569599638 /nfs/dbraw/zinc/59/96/38/569599638.db2.gz XCWCRFUYGQNAEX-VWLOTQADSA-N 0 1 479.577 3.440 50 0 JGAAMN CCc1ccc([C@H]2NC(=O)NC(CN3CCN(c4cc(C)ccc4C)CC3)=C2C(=O)OC)cc1 ZINC000057415218 569600707 /nfs/dbraw/zinc/60/07/07/569600707.db2.gz HSXISZDUEQZBGR-RUZDIDTESA-N 0 1 462.594 3.469 50 0 JGAAMN COC(=O)C1C(CN2CCN(c3cc(Cl)ccc3C)CC2)=NC(=O)N[C@H]1c1cccc(F)c1 ZINC000057415580 569601066 /nfs/dbraw/zinc/60/10/66/569601066.db2.gz KRBWRNJUTHTNNQ-QFIPXVFZSA-N 0 1 472.948 3.391 50 0 JGAAMN COC(=O)C1C(CN2CCN(c3cccc(Cl)c3)CC2)=NC(=O)N[C@H]1c1cccc(F)c1 ZINC000057415577 569601136 /nfs/dbraw/zinc/60/11/36/569601136.db2.gz ILWWBNHYBFVORQ-NRFANRHFSA-N 0 1 458.921 3.082 50 0 JGAAMN CCOC(=O)C1C(CN2CCN(c3ccc(C)cc3)CC2)=NC(=O)N[C@@H]1c1ccccc1OCC ZINC000057415868 569601277 /nfs/dbraw/zinc/60/12/77/569601277.db2.gz IILSUUDEINSIJY-RUZDIDTESA-N 0 1 478.593 3.387 50 0 JGAAMN Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCCN3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000032974005 569605261 /nfs/dbraw/zinc/60/52/61/569605261.db2.gz ZXEWLUDPVSHEKP-UHFFFAOYSA-N 0 1 498.693 3.114 50 0 JGAAMN COc1cccc(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2OC)c1 ZINC000032975691 569606310 /nfs/dbraw/zinc/60/63/10/569606310.db2.gz NEUFZHAHNYASSL-RTBURBONSA-N 0 1 458.536 3.180 50 0 JGAAMN COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@@]21C(=O)Nc2c1cccc2C ZINC000061943400 569609443 /nfs/dbraw/zinc/60/94/43/569609443.db2.gz VXWVVPHDXJXFQB-UNKHORCTSA-N 0 1 451.910 3.088 50 0 JGAAMN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccc(Cl)cc3)[nH]c2=O)cc1 ZINC000064592098 569622279 /nfs/dbraw/zinc/62/22/79/569622279.db2.gz VGOPJYLWLSBIEX-UHFFFAOYSA-N 0 1 493.994 3.476 50 0 JGAAMN CCc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(OC)c(OC)c3)c(=O)[nH]2)cc1 ZINC000064592023 569622348 /nfs/dbraw/zinc/62/23/48/569622348.db2.gz CMPRUOUGTVAJOZ-UHFFFAOYSA-N 0 1 489.575 3.325 50 0 JGAAMN CCn1c2c(C(=O)NCc3cccc(OC)c3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064835861 569636462 /nfs/dbraw/zinc/63/64/62/569636462.db2.gz KJRMMRPKYHOEEV-UHFFFAOYSA-N 0 1 471.561 3.013 50 0 JGAAMN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000064844142 569638350 /nfs/dbraw/zinc/63/83/50/569638350.db2.gz PGXGUHONRBUMEB-SFHVURJKSA-N 0 1 458.584 3.201 50 0 JGAAMN CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000064844190 569638386 /nfs/dbraw/zinc/63/83/86/569638386.db2.gz KYJZHWUYSFBKCS-SFHVURJKSA-N 0 1 488.610 3.292 50 0 JGAAMN Cc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4c(C)cccc4C)c(Cl)cc32)no1 ZINC000065022386 569648973 /nfs/dbraw/zinc/64/89/73/569648973.db2.gz FBVDNGSVAJJZPI-UHFFFAOYSA-N 0 1 462.915 3.375 50 0 JGAAMN Cc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4ccc(C)c(C)c4)c(Cl)cc32)no1 ZINC000065022416 569648988 /nfs/dbraw/zinc/64/89/88/569648988.db2.gz WVIIGDPXULJZEY-UHFFFAOYSA-N 0 1 462.915 3.375 50 0 JGAAMN Cc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4ccc(C)cc4C)c(Cl)cc32)no1 ZINC000065022410 569648995 /nfs/dbraw/zinc/64/89/95/569648995.db2.gz QWLSIMMKEBIMSN-UHFFFAOYSA-N 0 1 462.915 3.375 50 0 JGAAMN Cc1ccc(C)c(S(=O)(=O)[N-]c2cnc(N3CC[NH2+]CC3)c(C(=O)NC3CCCCCC3)c2)c1 ZINC000065025188 569650401 /nfs/dbraw/zinc/65/04/01/569650401.db2.gz GFJGWBYYOMAPIX-UHFFFAOYSA-N 0 1 485.654 3.361 50 0 JGAAMN CCCCN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025278 569650520 /nfs/dbraw/zinc/65/05/20/569650520.db2.gz WZOVHRMPDURUNQ-UHFFFAOYSA-N 0 1 487.670 3.462 50 0 JGAAMN CCCc1ccc(S(=O)(=O)[N-]c2cnc(N3CC[NH2+]CC3)c(C(=O)NCc3ccccc3)c2)cc1 ZINC000065025295 569650781 /nfs/dbraw/zinc/65/07/81/569650781.db2.gz LTHWBXIGNWXUGQ-UHFFFAOYSA-N 0 1 493.633 3.175 50 0 JGAAMN COc1ccc(OC)c(CN2CCC(NC(=O)c3nccnc3NC(=O)c3ccc(C)cc3)CC2)c1 ZINC000034716998 569652014 /nfs/dbraw/zinc/65/20/14/569652014.db2.gz LDBMPJJHGRDICC-UHFFFAOYSA-N 0 1 489.576 3.449 50 0 JGAAMN Cc1sc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 ZINC000065097718 569661463 /nfs/dbraw/zinc/66/14/63/569661463.db2.gz VDNUZIBZUWQKPA-UHFFFAOYSA-N 0 1 482.971 3.342 50 0 JGAAMN Cc1sc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000065097717 569661554 /nfs/dbraw/zinc/66/15/54/569661554.db2.gz IDLGVZIQZQBRBN-UHFFFAOYSA-N 0 1 482.971 3.342 50 0 JGAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccccc3C)cn2C)sc1C(=O)N1CCOCC1 ZINC000065137565 569668541 /nfs/dbraw/zinc/66/85/41/569668541.db2.gz OQOQSHWQCLTVPD-UHFFFAOYSA-N 0 1 460.581 3.039 50 0 JGAAMN COc1ccc(OC)c(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCCC4)n3)ccc2C)c1 ZINC000065318943 569673397 /nfs/dbraw/zinc/67/33/97/569673397.db2.gz CNPIFSILAWXAKM-UHFFFAOYSA-N 0 1 486.550 3.489 50 0 JGAAMN COC(=O)C1C(CN2CCN(c3cc(C)ccc3C)CC2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000067204858 569677693 /nfs/dbraw/zinc/67/76/93/569677693.db2.gz KONPBOPQVGIGQX-HSZRJFAPSA-N 0 1 452.530 3.046 50 0 JGAAMN Cc1ccc2c(c1)[C@]1(N[C@@H](Cc3c[nH]c4ccc(O)cc34)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000035365995 569682756 /nfs/dbraw/zinc/68/27/56/569682756.db2.gz DNLOATWUMHBQPK-APSVEGKFSA-N 0 1 492.535 3.350 50 0 biogenic JGAAMN 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556009234 /nfs/dbraw/zinc/00/92/34/556009234.db2.gz DYQQQAZZHIVOAU-UHFFFAOYSA-N 0 1 487.603 3.336 50 0 JGAAMN CN1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(Br)cc4)C3)cc2)CC1 ZINC000012537964 556011279 /nfs/dbraw/zinc/01/12/79/556011279.db2.gz SWHLHSQGADIMSF-INIZCTEOSA-N 0 1 457.372 3.193 50 0 JGAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(S[C@H](C)C(=O)NC[C@H]3CCCO3)nc2c1 ZINC000012548594 556027289 /nfs/dbraw/zinc/02/72/89/556027289.db2.gz HDCKJIHVEOWBLL-HUUCEWRRSA-N 0 1 491.591 3.413 50 0 JGAAMN COc1cc(C(=O)NC[C@@H](c2cccnc2)N2CCN(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000023203203 556031466 /nfs/dbraw/zinc/03/14/66/556031466.db2.gz NBLQEYZPICBACW-DEOSSOPVSA-N 0 1 490.604 3.396 50 0 JGAAMN COc1ccc(-c2cc(C(=O)N3CCc4ccccc43)[nH]n2)cc1S(=O)(=O)N1CCCCC1 ZINC000015860829 556032680 /nfs/dbraw/zinc/03/26/80/556032680.db2.gz KBNGHVFRJAVZSO-UHFFFAOYSA-N 0 1 466.563 3.463 50 0 JGAAMN CCN1CCN(c2ccccc2NC(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000012551243 556032964 /nfs/dbraw/zinc/03/29/64/556032964.db2.gz 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JGAAMN O=C1Nc2ccccc2[C@]12N[C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000015958218 556090003 /nfs/dbraw/zinc/09/00/03/556090003.db2.gz IAJSDOKKVFCKFT-IQXSCUCBSA-N 0 1 459.546 3.078 50 0 biogenic JGAAMN CSCC[C@@H]1N[C@]2(C(=O)Nc3c2ccc(Cl)c3C)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015959746 556091754 /nfs/dbraw/zinc/09/17/54/556091754.db2.gz OWTJMCQRZRBACN-ZDQHKECQSA-N 0 1 484.021 3.365 50 0 biogenic JGAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21N[C@H](C(C)C)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959845 556092088 /nfs/dbraw/zinc/09/20/88/556092088.db2.gz BOXYVJIHBRRNLB-KSYXXAMZSA-N 0 1 451.954 3.268 50 0 biogenic JGAAMN CSCC[C@@H]1N[C@]2(C(=O)Nc3c2cc(C)cc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015969807 556095690 /nfs/dbraw/zinc/09/56/90/556095690.db2.gz RXRYIIZTKXZRTH-ZDQHKECQSA-N 0 1 484.021 3.365 50 0 biogenic JGAAMN Cc1cccc2c1NC(=O)[C@@]21N[C@@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969531 556095706 /nfs/dbraw/zinc/09/57/06/556095706.db2.gz JHDQGHIRUVWOJX-HNFJUSDZSA-N 0 1 465.553 3.201 50 0 biogenic JGAAMN O=C1Nc2ccccc2[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015969575 556095715 /nfs/dbraw/zinc/09/57/15/556095715.db2.gz PEHXKEXIPRFYND-CPBHOCDRSA-N 0 1 490.563 3.374 50 0 biogenic JGAAMN CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016012841 556111707 /nfs/dbraw/zinc/11/17/07/556111707.db2.gz NALJJOKKZLQIJB-UAKAABGRSA-N 0 1 453.901 3.473 50 0 JGAAMN CCOc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CCN(CCO)CC2)cc1 ZINC000024022677 556116540 /nfs/dbraw/zinc/11/65/40/556116540.db2.gz JUVIEDNAANXZRU-MHZLTWQESA-N 0 1 477.605 3.009 50 0 JGAAMN COc1cccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N2CCCC2)c1 ZINC000012931005 556147886 /nfs/dbraw/zinc/14/78/86/556147886.db2.gz ZIFVRPYWCGDVHO-XMMPIXPASA-N 0 1 489.613 3.188 50 0 JGAAMN COc1ccc([C@@H](CNC(=O)CSc2nnnn2-c2cccc(F)c2)N2CCCCC2)cc1 ZINC000012976028 556168823 /nfs/dbraw/zinc/16/88/23/556168823.db2.gz DWFSSXGFPLSPPZ-OAQYLSRUSA-N 0 1 470.574 3.246 50 0 JGAAMN Cc1cc(=O)c(C(=O)NC[C@H](Cc2ccccc2)N(C)C)nn1-c1ccccc1C(F)(F)F ZINC000013003463 556195962 /nfs/dbraw/zinc/19/59/62/556195962.db2.gz NEMRSCTXXNBNJZ-SFHVURJKSA-N 0 1 458.484 3.462 50 0 JGAAMN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc4c(c3)OCO4)[nH]c2=O)c(C)c1 ZINC000017026018 556205359 /nfs/dbraw/zinc/20/53/59/556205359.db2.gz PVIAZTMUGZEEQN-UHFFFAOYSA-N 0 1 473.532 3.091 50 0 JGAAMN CCCCN(C(=O)CNC(c1ccccc1)c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013038185 556235377 /nfs/dbraw/zinc/23/53/77/556235377.db2.gz NCBSSNUMPIYUOD-UHFFFAOYSA-N 0 1 477.609 3.287 50 0 JGAAMN CC(C)N(CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)Cc1ccccc1 ZINC000025820792 556237201 /nfs/dbraw/zinc/23/72/01/556237201.db2.gz OHVLSQKXDNXNMI-UHFFFAOYSA-N 0 1 450.004 3.084 50 0 JGAAMN Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N(c2ccc(I)cc2)C1=O ZINC000017209388 556241744 /nfs/dbraw/zinc/24/17/44/556241744.db2.gz XZPDIYVXBFJDPF-HXUWFJFHSA-N 0 1 475.286 3.066 50 0 JGAAMN CCCCOc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1 ZINC000017270940 556249609 /nfs/dbraw/zinc/24/96/09/556249609.db2.gz RSAYQGQKCRGWKF-UHFFFAOYSA-N 0 1 459.616 3.075 50 0 JGAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccc(OC)c(OC)c2)c1 ZINC000013058508 556253888 /nfs/dbraw/zinc/25/38/88/556253888.db2.gz YHMLFIALEDFXJE-UHFFFAOYSA-N 0 1 456.520 3.443 50 0 JGAAMN Cc1ccc(-n2c(=O)c3cn[nH]c3nc2SCc2cc(=O)n3ccccc3n2)cc1Cl ZINC000018114725 556289142 /nfs/dbraw/zinc/28/91/42/556289142.db2.gz IJMFVFMFLAYULQ-UHFFFAOYSA-N 0 1 450.911 3.371 50 0 JGAAMN CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000013109264 556307570 /nfs/dbraw/zinc/30/75/70/556307570.db2.gz JDGXDARIIQRTTA-CRAIPNDOSA-N 0 1 460.460 3.124 50 0 JGAAMN COc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1S(=O)(=O)NC1CCCC1 ZINC000013121456 556337923 /nfs/dbraw/zinc/33/79/23/556337923.db2.gz HPIWVQUABAJRFZ-KRWDZBQOSA-N 0 1 451.614 3.010 50 0 JGAAMN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)[nH]n2)c(O)c1 ZINC000013121753 556338722 /nfs/dbraw/zinc/33/87/22/556338722.db2.gz BTHJJVZGYFGKMA-HOTGVXAUSA-N 0 1 470.551 3.141 50 0 JGAAMN Cc1noc2nc(-c3ccco3)cc(C(=O)NN3C(=O)N[C@](C)(CCc4ccccc4)C3=O)c12 ZINC000028805058 556341600 /nfs/dbraw/zinc/34/16/00/556341600.db2.gz MABUSHXNJJIYDL-XMMPIXPASA-N 0 1 459.462 3.379 50 0 JGAAMN CCOc1ccc(-n2c3nc(SCC(=O)NC[C@H]4CCCO4)[nH]c(=O)c3sc2=S)cc1 ZINC000013133225 556359600 /nfs/dbraw/zinc/35/96/00/556359600.db2.gz CFEGZGPKCHUVBE-CQSZACIVSA-N 0 1 478.621 3.291 50 0 JGAAMN CCN(CC)C(=O)c1cc(NS(=O)(=O)c2ccc3[nH]c(=O)cc(C)c3c2)c(OC)c(OC)c1 ZINC000030947899 556389494 /nfs/dbraw/zinc/38/94/94/556389494.db2.gz BQIDHQNPVYWPFM-UHFFFAOYSA-N 0 1 473.551 3.137 50 0 JGAAMN CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000032721184 556474567 /nfs/dbraw/zinc/47/45/67/556474567.db2.gz BWCQSNQTYVCYOP-UHFFFAOYSA-N 0 1 487.603 3.336 50 0 JGAAMN CCOC(=O)C1C(CN2CCn3cccc3[C@H]2C)=NC(=O)N[C@@H]1c1ccccc1OC(F)F ZINC000032857904 556513107 /nfs/dbraw/zinc/51/31/07/556513107.db2.gz YZYQEWYOABUDBJ-JLTOFOAXSA-N 0 1 460.481 3.337 50 0 JGAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CNC(=O)c2ccccc2)ccc1C ZINC000008686597 562952881 /nfs/dbraw/zinc/95/28/81/562952881.db2.gz WUDHFLSCCJHUQR-UHFFFAOYSA-N 0 1 453.520 3.173 50 0 JGAAMN Cc1c(-c2ccnc(N3CCN(Cc4ccccc4)CC3)n2)cnc2nc(-c3ccncc3)nn21 ZINC000054202044 569589501 /nfs/dbraw/zinc/58/95/01/569589501.db2.gz KUFBORZDFCUSJH-UHFFFAOYSA-N 0 1 463.549 3.274 50 0 JGAAMN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CCC(N)=O)N[C@@]12c1cc(Cl)ccc1NC2=O ZINC000057140649 569594599 /nfs/dbraw/zinc/59/45/99/569594599.db2.gz IWBUVSIFFQNRNE-IEROGBPDSA-N 0 1 477.348 3.032 50 0 JGAAMN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@H](C)O)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000057142619 569594612 /nfs/dbraw/zinc/59/46/12/569594612.db2.gz ZXKMVIOQPIHHBP-XEUURLQDSA-N 0 1 450.322 3.147 50 0 JGAAMN CCn1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)nnc1-c1ccco1 ZINC000008719119 569597310 /nfs/dbraw/zinc/59/73/10/569597310.db2.gz ISUTUTLVRRCJLH-CQSZACIVSA-N 0 1 499.578 3.268 50 0 JGAAMN CCOC(=O)C1=C(CN2CCN(c3ccccc3Cl)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000057414383 569599808 /nfs/dbraw/zinc/59/98/08/569599808.db2.gz FQSNTWNSBDPUSG-QFIPXVFZSA-N 0 1 454.958 3.333 50 0 JGAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000008725681 569600239 /nfs/dbraw/zinc/60/02/39/569600239.db2.gz CTYVQYKYAIMDSB-UHFFFAOYSA-N 0 1 464.507 3.032 50 0 JGAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3)CC2)=NC(=O)N[C@H]1c1ccccc1OCC ZINC000057415843 569601285 /nfs/dbraw/zinc/60/12/85/569601285.db2.gz WNHZXNSAJBZGGJ-DEOSSOPVSA-N 0 1 464.566 3.079 50 0 JGAAMN COc1ccc(OC)c(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)c1 ZINC000032975647 569606306 /nfs/dbraw/zinc/60/63/06/569606306.db2.gz IMUGGJOWHSOJRN-RTBURBONSA-N 0 1 472.563 3.488 50 0 JGAAMN COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccc(C)cc21 ZINC000061943406 569609407 /nfs/dbraw/zinc/60/94/07/569609407.db2.gz KYKQEKMECXUNNF-MDTICMOCSA-N 0 1 451.910 3.088 50 0 JGAAMN CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5F)CC4)[C@H]3C[C@@]21O ZINC000061996982 569609628 /nfs/dbraw/zinc/60/96/28/569609628.db2.gz ZYQCHTPYTIDECE-MGCPFQNRSA-N 0 1 460.590 3.226 50 0 biogenic JGAAMN C[C@@H](NCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000062291420 569610528 /nfs/dbraw/zinc/61/05/28/569610528.db2.gz KGIUAZGMGJCDRJ-LJQANCHMSA-N 0 1 479.602 3.352 50 0 JGAAMN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4OC)cc32)no1 ZINC000064450691 569617196 /nfs/dbraw/zinc/61/71/96/569617196.db2.gz YOGJOOBUVRPYPS-UHFFFAOYSA-N 0 1 478.914 3.020 50 0 JGAAMN CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCCc3ccccc3)[nH]c2=O)cc1 ZINC000064592040 569622235 /nfs/dbraw/zinc/62/22/35/569622235.db2.gz RJLCVDXZBRSPDK-UHFFFAOYSA-N 0 1 457.577 3.028 50 0 JGAAMN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)c(F)c3)[nH]c2=O)cc1OC ZINC000064592035 569622298 /nfs/dbraw/zinc/62/22/98/569622298.db2.gz JBNIBJVODAGNPS-UHFFFAOYSA-N 0 1 493.538 3.211 50 0 JGAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)N(Cc1noc(C3CCC3)n1)C(=O)CO2 ZINC000064605722 569622868 /nfs/dbraw/zinc/62/28/68/569622868.db2.gz FGXSLIQLELHUOI-UHFFFAOYSA-N 0 1 484.534 3.381 50 0 JGAAMN CCOc1ccc(CNC(=O)c2cnn3c2n(CC)c2c(c3=O)CN(Cc3ccccc3)CC2)cc1 ZINC000064835983 569636846 /nfs/dbraw/zinc/63/68/46/569636846.db2.gz JFKXWRRNAWQBNU-UHFFFAOYSA-N 0 1 485.588 3.403 50 0 JGAAMN CC[C@@H](C(=O)NCCCN1CCN(c2ccccc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839454 569637287 /nfs/dbraw/zinc/63/72/87/569637287.db2.gz PKUIEMPFSIGWCS-DEOSSOPVSA-N 0 1 486.620 3.168 50 0 JGAAMN Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])cnc1N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000064844185 569638301 /nfs/dbraw/zinc/63/83/01/569638301.db2.gz WZIDSIVJEQWWQF-SFHVURJKSA-N 0 1 458.584 3.201 50 0 JGAAMN O=C([O-])c1cnc(N2CCC[C@H](C[NH+]3CCCC3)C2)c(NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000064844204 569638309 /nfs/dbraw/zinc/63/83/09/569638309.db2.gz ZQJGZUZHHLVVTH-OAHLLOKOSA-N 0 1 480.537 3.171 50 0 JGAAMN O=C1COc2cc(S(=O)(=O)Nc3cccc(F)c3)c(Cl)cc2N1Cc1noc(C2CC2)n1 ZINC000065022533 569649280 /nfs/dbraw/zinc/64/92/80/569649280.db2.gz DLVGVGNRDLEPBF-UHFFFAOYSA-N 0 1 478.889 3.466 50 0 JGAAMN CC(C)CN(CC(C)C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025111 569650350 /nfs/dbraw/zinc/65/03/50/569650350.db2.gz YYXGPUURQZIPAC-UHFFFAOYSA-N 0 1 491.633 3.185 50 0 JGAAMN CCCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025272 569650562 /nfs/dbraw/zinc/65/05/62/569650562.db2.gz AVTKAYDYXPYDFV-UHFFFAOYSA-N 0 1 473.643 3.020 50 0 JGAAMN Cc1ccccc1N1CCN(C(=O)c2[nH]nc3c2CN(C(=O)Cc2cccc(Cl)c2)CC3)CC1 ZINC000034809690 569661425 /nfs/dbraw/zinc/66/14/25/569661425.db2.gz MVMDIJFXANIJAD-UHFFFAOYSA-N 0 1 477.996 3.461 50 0 JGAAMN CCOC(=O)CCC(=O)N(CCCOC)Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1 ZINC000034835209 569664902 /nfs/dbraw/zinc/66/49/02/569664902.db2.gz MBPSORGZGFGIBL-UHFFFAOYSA-N 0 1 499.656 3.031 50 0 JGAAMN CC(C)N1CCN(C(=O)c2nnc(N3CCN(c4ccccc4F)CC3)c3ccccc32)CC1 ZINC000034837587 569666555 /nfs/dbraw/zinc/66/65/55/569666555.db2.gz HLSDXINEMJGLPY-UHFFFAOYSA-N 0 1 462.573 3.262 50 0 JGAAMN CCCNc1cc(N2CCC(CCC(=O)NCCN3CCc4ccccc4C3)CC2)ncn1 ZINC000065274203 569670076 /nfs/dbraw/zinc/67/00/76/569670076.db2.gz HTUAGSYWRXVJOI-UHFFFAOYSA-N 0 1 450.631 3.470 50 0 JGAAMN COc1ccc(OC)c(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)ccc2C)c1 ZINC000065318841 569673176 /nfs/dbraw/zinc/67/31/76/569673176.db2.gz MUDQYXMNRCKAAB-UHFFFAOYSA-N 0 1 472.523 3.099 50 0 JGAAMN CSc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1C(=O)N1CCCC1 ZINC000065365392 569675437 /nfs/dbraw/zinc/67/54/37/569675437.db2.gz MYUJWZUBTSWDBC-UHFFFAOYSA-N 0 1 474.652 3.197 50 0 JGAAMN CCOC(=O)C1C(CN2CCN(C(=O)OC(C)(C)C)CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000067204759 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