smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](CCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1)Cc1ccccc1 ZINC000003670376 194357944 /nfs/dbraw/zinc/35/79/44/194357944.db2.gz HMDKSKAQMIIZSM-VWLOTQADSA-N 1 1 464.953 3.785 50 0 JHAAMO C[NH+](C)[C@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1)c1ccco1 ZINC000012605303 195050579 /nfs/dbraw/zinc/05/05/79/195050579.db2.gz XSPGBFQGQAPVEU-LJQANCHMSA-N 1 1 492.395 3.876 50 0 JHAAMO CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000012611688 195054174 /nfs/dbraw/zinc/05/41/74/195054174.db2.gz NDOGKVJQVFREKT-KDURUIRLSA-N 1 1 489.638 3.504 50 0 JHAAMO CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000012611688 195054176 /nfs/dbraw/zinc/05/41/76/195054176.db2.gz NDOGKVJQVFREKT-KDURUIRLSA-N 1 1 489.638 3.504 50 0 JHAAMO CCOc1ccccc1Nc1nnc(SCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)s1 ZINC000012633856 195065534 /nfs/dbraw/zinc/06/55/34/195065534.db2.gz NBEJFGUSUACYFT-UHFFFAOYSA-N 1 1 491.683 3.924 50 0 JHAAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC[NH+](CCOc3ccc(OC)cc3)CC2)nc1 ZINC000012697130 195090617 /nfs/dbraw/zinc/09/06/17/195090617.db2.gz KFAXHZLFIADZAW-UHFFFAOYSA-N 1 1 496.633 3.506 50 0 JHAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000012751041 195105845 /nfs/dbraw/zinc/10/58/45/195105845.db2.gz XNOMHQOLECYNMB-SANMLTNESA-N 1 1 451.611 3.761 50 0 JHAAMO COc1ccc(-c2cc3ncn(CC(=O)N[C@H]4CC[N@@H+](Cc5ccccc5)C4)c(=O)c3s2)cc1 ZINC000012766177 195113925 /nfs/dbraw/zinc/11/39/25/195113925.db2.gz VKPQIOBPTDZUHD-FQEVSTJZSA-N 1 1 474.586 3.524 50 0 JHAAMO Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000012787142 195128992 /nfs/dbraw/zinc/12/89/92/195128992.db2.gz JXNZFEMFYVCVTJ-UHFFFAOYSA-N 1 1 499.036 3.944 50 0 JHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC000012791532 195132475 /nfs/dbraw/zinc/13/24/75/195132475.db2.gz DRYAUXWQUZNADK-UHFFFAOYSA-N 1 1 497.661 3.593 50 0 JHAAMO Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CC[NH+](CCc2ccccn2)CC1)OC(C)(C)CC3 ZINC000020759338 195217376 /nfs/dbraw/zinc/21/73/76/195217376.db2.gz SEUQWFVLWMVCMF-UHFFFAOYSA-N 1 1 475.589 3.529 50 0 biogenic JHAAMO COc1cc(-c2nc(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cs2)cc(OC)c1OC ZINC000020763480 195219730 /nfs/dbraw/zinc/21/97/30/195219730.db2.gz XYUGVKPEXJHYJG-QFBILLFUSA-N 1 1 459.612 3.759 50 0 biogenic JHAAMO C[C@@H]1CN(C(=O)CC[C@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@H]2N2CCOCC2)C[C@H](C)O1 ZINC000020782914 195224872 /nfs/dbraw/zinc/22/48/72/195224872.db2.gz OGKKNPLBWHVBKA-CSXCRPTLSA-N 1 1 479.665 3.779 50 0 JHAAMO CCC(CC)C(=O)N1CCC(Oc2cccc(C[NH+]3CCN(c4ncccn4)CC3)c2)CC1 ZINC000020906430 195245422 /nfs/dbraw/zinc/24/54/22/195245422.db2.gz GDETXLXULQQPAE-UHFFFAOYSA-N 1 1 451.615 3.605 50 0 JHAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)NC[C@@H]1CCCN(c2ncccn2)C1 ZINC000020908643 195245553 /nfs/dbraw/zinc/24/55/53/195245553.db2.gz POPZLTKPBAXHCT-NVQXNPDNSA-N 1 1 471.605 3.835 50 0 JHAAMO Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@H](C)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000020866729 195234480 /nfs/dbraw/zinc/23/44/80/195234480.db2.gz ZMPUPSZIPKKOPR-JOCHJYFZSA-N 1 1 483.616 3.930 50 0 JHAAMO CCCC[N@@H+](CC)CCNC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000020933657 195252146 /nfs/dbraw/zinc/25/21/46/195252146.db2.gz WDSQNIXYSVXDCJ-UHFFFAOYSA-N 1 1 490.652 3.753 50 0 JHAAMO COc1ccc(C[N@@H+]2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)c(OC)c1OC ZINC000021039074 195270394 /nfs/dbraw/zinc/27/03/94/195270394.db2.gz UCPRMJQGXOSONF-UHFFFAOYSA-N 1 1 464.522 3.576 50 0 JHAAMO COc1ccc(C[N@H+]2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)c(OC)c1OC ZINC000021039074 195270396 /nfs/dbraw/zinc/27/03/96/195270396.db2.gz UCPRMJQGXOSONF-UHFFFAOYSA-N 1 1 464.522 3.576 50 0 JHAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC000021538852 195312614 /nfs/dbraw/zinc/31/26/14/195312614.db2.gz SOSMKZTVOLFWDE-UHFFFAOYSA-N 1 1 471.671 3.771 50 0 JHAAMO Cc1nn2c(ncc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)c2C)c1-c1ccccc1 ZINC000021914897 195331759 /nfs/dbraw/zinc/33/17/59/195331759.db2.gz SUGAIAMZTZZIBL-UHFFFAOYSA-N 1 1 482.632 3.951 50 0 JHAAMO COc1cc(CNC(=O)N[C@H](C[N@H+](C)C2CCN(C)CC2)c2ccccc2)ccc1OC(F)F ZINC000058152980 195367190 /nfs/dbraw/zinc/36/71/90/195367190.db2.gz IZSRTBJLJQMZTL-OAQYLSRUSA-N 1 1 476.568 3.863 50 0 JHAAMO COc1cc(CNC(=O)N[C@H](C[N@@H+](C)C2CCN(C)CC2)c2ccccc2)ccc1OC(F)F ZINC000058152980 195367191 /nfs/dbraw/zinc/36/71/91/195367191.db2.gz IZSRTBJLJQMZTL-OAQYLSRUSA-N 1 1 476.568 3.863 50 0 JHAAMO CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)C1 ZINC000058157823 195367860 /nfs/dbraw/zinc/36/78/60/195367860.db2.gz IIOSWIJAYKTAJK-FQEVSTJZSA-N 1 1 466.582 3.514 50 0 JHAAMO CCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)C1 ZINC000058157823 195367863 /nfs/dbraw/zinc/36/78/63/195367863.db2.gz IIOSWIJAYKTAJK-FQEVSTJZSA-N 1 1 466.582 3.514 50 0 JHAAMO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)ccc1C ZINC000058246379 195374948 /nfs/dbraw/zinc/37/49/48/195374948.db2.gz BXDGNPYCCCMYDJ-UHFFFAOYSA-N 1 1 471.667 3.806 50 0 JHAAMO CCOc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCCC2)cc1S(=O)(=O)N(CC)CC ZINC000058330357 195377828 /nfs/dbraw/zinc/37/78/28/195377828.db2.gz QNHSRTOMEXAMJF-QHCPKHFHSA-N 1 1 459.612 3.891 50 0 JHAAMO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCOCC2)[C@H]1c1cccs1 ZINC000020508318 519720027 /nfs/dbraw/zinc/72/00/27/519720027.db2.gz UBUBZWKRJXFDIX-DHIUTWEWSA-N 1 1 455.624 3.523 50 0 JHAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)Cc1ccc(F)cc1 ZINC000036249818 520154610 /nfs/dbraw/zinc/15/46/10/520154610.db2.gz AVHGRZSEYNQNKK-HSZRJFAPSA-N 1 1 469.557 3.717 50 0 JHAAMO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)Cc1ccc(F)cc1 ZINC000036249818 520154616 /nfs/dbraw/zinc/15/46/16/520154616.db2.gz AVHGRZSEYNQNKK-HSZRJFAPSA-N 1 1 469.557 3.717 50 0 JHAAMO CC[N@@H+](CCCNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1)Cc1ccccc1 ZINC000021868227 521017168 /nfs/dbraw/zinc/01/71/68/521017168.db2.gz MWBSTVWWKRDHMW-UHFFFAOYSA-N 1 1 451.523 3.615 50 0 JHAAMO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccc(Cl)cc4N4CC[N@@H+](C)C[C@@H]43)C2=O)cc1 ZINC000033429031 521489252 /nfs/dbraw/zinc/48/92/52/521489252.db2.gz HWFWCNVCYGXCFB-RCZVLFRGSA-N 1 1 466.969 3.602 50 0 JHAAMO CCN1C(=O)C[C@](CC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)(c2cccc(C(F)(F)F)c2)C1=O ZINC000020362841 521524651 /nfs/dbraw/zinc/52/46/51/521524651.db2.gz SWJWVEUEKWIXDY-BWKNWUBXSA-N 1 1 487.522 3.627 50 0 JHAAMO CCN1C(=O)C[C@](CC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)(c2cccc(C(F)(F)F)c2)C1=O ZINC000020362841 521524656 /nfs/dbraw/zinc/52/46/56/521524656.db2.gz SWJWVEUEKWIXDY-BWKNWUBXSA-N 1 1 487.522 3.627 50 0 JHAAMO COCCn1c(C)cc(O)c([C@@H](c2ccc(OC)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697589 522061660 /nfs/dbraw/zinc/06/16/60/522061660.db2.gz QLZHQGQQFTVIJL-AREMUKBSSA-N 1 1 481.568 3.568 50 0 JHAAMO COCCn1c(C)cc(O)c([C@@H](c2ccc(OC)cc2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022697585 522062710 /nfs/dbraw/zinc/06/27/10/522062710.db2.gz KKNDWLLORVWIFY-AREMUKBSSA-N 1 1 481.568 3.568 50 0 JHAAMO COCCn1c(C)cc(O)c([C@H](c2ccccc2OC)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697622 522063766 /nfs/dbraw/zinc/06/37/66/522063766.db2.gz DHMOWMPFSBGNOH-SANMLTNESA-N 1 1 481.568 3.568 50 0 JHAAMO COCCn1c(C)cc(O)c([C@H](c2cccc(OC)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697603 522064820 /nfs/dbraw/zinc/06/48/20/522064820.db2.gz VAXQAOLNKRIVPC-SANMLTNESA-N 1 1 481.568 3.568 50 0 JHAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)[N@@H+](CC(C)(C)C)C2)nn1 ZINC000012338027 522327461 /nfs/dbraw/zinc/32/74/61/522327461.db2.gz YKTFQXLSXJGDIA-GGAORHGYSA-N 1 1 475.593 3.632 50 0 JHAAMO COc1cc(S(=O)(=O)N2CCN(c3nc(Nc4ccccc4)cc(C)[nH+]3)CC2)c(C)cc1C ZINC000064977937 522894862 /nfs/dbraw/zinc/89/48/62/522894862.db2.gz YLTWCOGWPPXFJL-UHFFFAOYSA-N 1 1 467.595 3.665 50 0 JHAAMO COCc1cc(N2CC[NH+](C)CC2)nc(SCc2cccc(C(=O)N(C)Cc3ccccc3)c2)n1 ZINC000036061658 522926397 /nfs/dbraw/zinc/92/63/97/522926397.db2.gz CDHVQFOCJKQKDZ-UHFFFAOYSA-N 1 1 491.661 3.939 50 0 JHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000033249498 523019210 /nfs/dbraw/zinc/01/92/10/523019210.db2.gz ALYIXBQRRAZMKM-RTWAWAEBSA-N 1 1 455.603 3.732 50 0 JHAAMO CCn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NCCC[NH+]2CCOCC2)c2ccccc21 ZINC000020438876 523302540 /nfs/dbraw/zinc/30/25/40/523302540.db2.gz ZUUOUBHTKLVDAW-MOHJPFBDSA-N 1 1 495.023 3.924 50 0 JHAAMO CC[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971079 523773890 /nfs/dbraw/zinc/77/38/90/523773890.db2.gz RRUWRLUTLMLVFA-HSZRJFAPSA-N 1 1 478.641 3.921 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021860338 524102815 /nfs/dbraw/zinc/10/28/15/524102815.db2.gz FQIRHDWRZHKSEX-HXUWFJFHSA-N 1 1 457.578 3.692 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021864180 524109173 /nfs/dbraw/zinc/10/91/73/524109173.db2.gz WAHZMLAZTCIQKN-BCHFMIIMSA-N 1 1 452.599 3.896 50 0 JHAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000012245071 524318811 /nfs/dbraw/zinc/31/88/11/524318811.db2.gz XXEWGWZQXQRBLC-HSRJRILOSA-N 1 1 459.594 3.668 50 0 JHAAMO COc1ccccc1CCn1c(C)cc(=O)c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1C ZINC000014997879 524424944 /nfs/dbraw/zinc/42/49/44/524424944.db2.gz BGQJYWFYVJFBOC-XZOQPEGZSA-N 1 1 451.611 3.711 50 0 JHAAMO COc1ccccc1N1CC[NH+](C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000008666212 524553256 /nfs/dbraw/zinc/55/32/56/524553256.db2.gz JPWJXSIDSZJDAS-UHFFFAOYSA-N 1 1 465.619 3.824 50 0 JHAAMO COc1ccccc1NC(=O)c1cc(C[NH2+]Cc2ccc3c(c2)OCCO3)cc(NC(C)=O)c1 ZINC000014988687 524625953 /nfs/dbraw/zinc/62/59/53/524625953.db2.gz CGVGCWTYNRJPQY-UHFFFAOYSA-N 1 1 461.518 3.967 50 0 JHAAMO Cc1ccc(NC(=O)N2CC[NH+](CCn3c(-c4ccncc4)nc4cccnc43)CC2)c(C)c1 ZINC000033139788 525132391 /nfs/dbraw/zinc/13/23/91/525132391.db2.gz FKCNNBPPDFRUGD-UHFFFAOYSA-N 1 1 455.566 3.960 50 0 JHAAMO Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1 ZINC000048324032 525453363 /nfs/dbraw/zinc/45/33/63/525453363.db2.gz CCPYQYNKGCODPL-AZUAARDMSA-N 1 1 452.580 3.828 50 0 JHAAMO CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000040157552 525555820 /nfs/dbraw/zinc/55/58/20/525555820.db2.gz RTSBMPDHKIOYTH-HSZRJFAPSA-N 1 1 481.728 3.510 50 0 JHAAMO COc1cccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccccc2)c1OC ZINC000036103717 525924717 /nfs/dbraw/zinc/92/47/17/525924717.db2.gz NGPYOEWUAIADHN-OAQYLSRUSA-N 1 1 451.519 3.875 50 0 JHAAMO COc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccccc2)c1OC ZINC000036103717 525924725 /nfs/dbraw/zinc/92/47/25/525924725.db2.gz NGPYOEWUAIADHN-OAQYLSRUSA-N 1 1 451.519 3.875 50 0 JHAAMO COc1cccc(C[N@@H+](C[C@H](O)COCc2ccco2)C[C@@H]2CC(c3ccc4c(c3)OCO4)=NO2)c1 ZINC000036147008 525924905 /nfs/dbraw/zinc/92/49/05/525924905.db2.gz RQCSERMGGZPLTK-URXFXBBRSA-N 1 1 494.544 3.590 50 0 JHAAMO Cc1cnc(-n2ncc(C(=O)N3CCC([NH+]4CCOCC4)CC3)c2C(C)C)nc1-c1ccc(F)cc1 ZINC000014966765 525964543 /nfs/dbraw/zinc/96/45/43/525964543.db2.gz YPIOSTBHHJBOSL-UHFFFAOYSA-N 1 1 492.599 3.837 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccccc3)s2)cc1 ZINC000033027997 526249993 /nfs/dbraw/zinc/24/99/93/526249993.db2.gz HOEYGRIILFBKDS-SFHVURJKSA-N 1 1 479.606 3.974 50 0 JHAAMO O=C(COCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)Nc1nncs1 ZINC000048303161 526930247 /nfs/dbraw/zinc/93/02/47/526930247.db2.gz XSNRRXGTUCFNEV-JOCHJYFZSA-N 1 1 472.014 3.554 50 0 JHAAMO O=C(COc1ccccc1)NCCc1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000012455413 526983869 /nfs/dbraw/zinc/98/38/69/526983869.db2.gz LVQKHPZIZRWQTP-UHFFFAOYSA-N 1 1 493.611 3.645 50 0 JHAAMO O=C(Nc1ccccc1Cl)N1CC[NH+](CCn2c(-c3ccncc3)nc3cccnc32)CC1 ZINC000033139766 527415930 /nfs/dbraw/zinc/41/59/30/527415930.db2.gz SXPJAUQDXFXNPB-UHFFFAOYSA-N 1 1 461.957 3.996 50 0 JHAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000020508522 527671358 /nfs/dbraw/zinc/67/13/58/527671358.db2.gz PIQAOFONNJIRJD-RPWUZVMVSA-N 1 1 467.635 3.810 50 0 JHAAMO C[N@@H+](CCO)C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000000626509 553714714 /nfs/dbraw/zinc/71/47/14/553714714.db2.gz YCGMSOVSEWLDIR-AWEZNQCLSA-N 1 1 456.178 3.605 50 0 JHAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NC2CCCCC2)cc(OC)c1OC ZINC000008789127 554681449 /nfs/dbraw/zinc/68/14/49/554681449.db2.gz UCELZEBVLHNMIP-RJWMVNQGSA-N 1 1 460.615 3.829 50 0 biogenic JHAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NC2CCCCC2)cc(OC)c1OC ZINC000008789127 554681451 /nfs/dbraw/zinc/68/14/51/554681451.db2.gz UCELZEBVLHNMIP-RJWMVNQGSA-N 1 1 460.615 3.829 50 0 biogenic JHAAMO CCCn1c2ccccc2c2cnn(CC(=O)NCC[N@@H+](Cc3ccco3)[C@H](C)CC)c(=O)c21 ZINC000009153447 554943166 /nfs/dbraw/zinc/94/31/66/554943166.db2.gz JPOHYKVEYDKACW-LJQANCHMSA-N 1 1 463.582 3.771 50 0 JHAAMO COc1ccc(-n2cc(C(=O)NCC[N@H+]3CCc4ccccc4C3)c3ccccc3c2=O)cc1 ZINC000009433741 555204045 /nfs/dbraw/zinc/20/40/45/555204045.db2.gz PVWZMNCVUJAQSS-UHFFFAOYSA-N 1 1 453.542 3.787 50 0 JHAAMO Cc1cc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)n(-c2ccc(C)cc2)n1 ZINC000009477910 555259498 /nfs/dbraw/zinc/25/94/98/555259498.db2.gz XBGQBIXXFJBGHR-UHFFFAOYSA-N 1 1 475.549 3.507 50 0 JHAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000009530595 555325254 /nfs/dbraw/zinc/32/52/54/555325254.db2.gz SFDSLEVSJDMCCQ-QHCPKHFHSA-N 1 1 488.009 3.978 50 0 JHAAMO CC[C@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl ZINC000009692321 555419073 /nfs/dbraw/zinc/41/90/73/555419073.db2.gz ZMBJSXXUJSGJRD-INIZCTEOSA-N 1 1 464.397 3.553 50 0 JHAAMO CC[C@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl ZINC000009692321 555419074 /nfs/dbraw/zinc/41/90/74/555419074.db2.gz ZMBJSXXUJSGJRD-INIZCTEOSA-N 1 1 464.397 3.553 50 0 JHAAMO O=C(c1ccco1)N1CCC[C@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000019839713 555508058 /nfs/dbraw/zinc/50/80/58/555508058.db2.gz NSIAAZVNDKCGPN-VWLOTQADSA-N 1 1 474.605 3.924 50 0 JHAAMO Cc1cc(N2CCOCC2)nc2ccc(NC(=S)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000013574225 555512820 /nfs/dbraw/zinc/51/28/20/555512820.db2.gz IEDHLQKLMLOOKX-UHFFFAOYSA-N 1 1 461.635 3.894 50 0 JHAAMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000009818382 555522624 /nfs/dbraw/zinc/52/26/24/555522624.db2.gz ZMHFRGVCTCVEDP-SFHVURJKSA-N 1 1 463.625 3.707 50 0 JHAAMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000009818382 555522629 /nfs/dbraw/zinc/52/26/29/555522629.db2.gz ZMHFRGVCTCVEDP-SFHVURJKSA-N 1 1 463.625 3.707 50 0 JHAAMO COc1cc(Br)cc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)oc21 ZINC000019909312 555537060 /nfs/dbraw/zinc/53/70/60/555537060.db2.gz UJXZXNOXVQRHOU-UHFFFAOYSA-N 1 1 457.324 3.522 50 0 JHAAMO O=C(NC(NCCC[NH+]1CCOCC1)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000019939080 555557460 /nfs/dbraw/zinc/55/74/60/555557460.db2.gz FPVUGFMZPHAQQH-UHFFFAOYSA-N 1 1 482.252 3.856 50 0 JHAAMO CC(C)[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000013691910 555586537 /nfs/dbraw/zinc/58/65/37/555586537.db2.gz NXEQFQHFLOHVAE-RWJVBYDYSA-N 1 1 494.526 3.515 50 0 JHAAMO COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CC[NH+]2CCN(C)CC2)cc1 ZINC000020057725 555620641 /nfs/dbraw/zinc/62/06/41/555620641.db2.gz MRRNOWBMZDVAJA-QHCPKHFHSA-N 1 1 485.426 3.773 50 0 JHAAMO O=C([C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020138910 555662090 /nfs/dbraw/zinc/66/20/90/555662090.db2.gz DDKQLHHRZLNOCH-SXOMAYOGSA-N 1 1 451.570 3.868 50 0 JHAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000010275816 555670343 /nfs/dbraw/zinc/67/03/43/555670343.db2.gz HZUPGFQJGVUQEV-UHFFFAOYSA-N 1 1 486.572 3.611 50 0 JHAAMO Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014200024 555731421 /nfs/dbraw/zinc/73/14/21/555731421.db2.gz VDWWALGJKUWXCN-UHFFFAOYSA-N 1 1 489.613 3.700 50 0 JHAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000014233193 555738223 /nfs/dbraw/zinc/73/82/23/555738223.db2.gz HUTBNRTYEDZIDG-KRWDZBQOSA-N 1 1 472.394 3.594 50 0 JHAAMO Cc1nn2c(nc(C)cc2N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1-c1ccc(Cl)cc1 ZINC000020280028 555751176 /nfs/dbraw/zinc/75/11/76/555751176.db2.gz DGMIFPIOYJVNEO-UHFFFAOYSA-N 1 1 467.017 3.657 50 0 JHAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020283675 555753142 /nfs/dbraw/zinc/75/31/42/555753142.db2.gz SYYXPWKIZOAOOV-RUZDIDTESA-N 1 1 493.604 3.830 50 0 JHAAMO COc1ccc(-c2noc(CSCC(=O)NCCC[N@@H+](C)Cc3ccccc3)n2)cc1OC ZINC000020557121 555808925 /nfs/dbraw/zinc/80/89/25/555808925.db2.gz OPUFYPLYNROCKW-UHFFFAOYSA-N 1 1 470.595 3.625 50 0 JHAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000011783737 555814856 /nfs/dbraw/zinc/81/48/56/555814856.db2.gz MIDJTJURYYWYSQ-XUZZJYLKSA-N 1 1 457.565 3.931 50 0 JHAAMO COC(=O)CC[C@H]1CN(Cc2ccc(F)cc2)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1 ZINC000011783737 555814860 /nfs/dbraw/zinc/81/48/60/555814860.db2.gz MIDJTJURYYWYSQ-XUZZJYLKSA-N 1 1 457.565 3.931 50 0 JHAAMO CC(C)N1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3nc4ccccc4n3C)CC2)C1=O ZINC000014530755 555817573 /nfs/dbraw/zinc/81/75/73/555817573.db2.gz XRTQGXXTNCDTBI-UHFFFAOYSA-N 1 1 459.594 3.823 50 0 JHAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NC[C@H]2CCCO2)C[N@H+](CCc2ccccc2)C1 ZINC000014538885 555828667 /nfs/dbraw/zinc/82/86/67/555828667.db2.gz WNOWUDSIVACLEP-ZWEKWIFMSA-N 1 1 475.633 3.590 50 0 JHAAMO COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CC[N@H+](Cc1ccc(C)c(C)c1)CC2 ZINC000020599410 555840956 /nfs/dbraw/zinc/84/09/56/555840956.db2.gz BLNSNPBOKIHKKJ-UHFFFAOYSA-N 1 1 451.592 3.524 50 0 JHAAMO CCOc1ccccc1C[N@@H+]1CCc2nnc([C@H](C)NC(=O)c3cc(F)ccc3F)n2CC1 ZINC000020600774 555841602 /nfs/dbraw/zinc/84/16/02/555841602.db2.gz YBDBVLNCOGLQCW-INIZCTEOSA-N 1 1 455.509 3.504 50 0 JHAAMO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2ccc(CO)o2)CC3)c1 ZINC000020601707 555842237 /nfs/dbraw/zinc/84/22/37/555842237.db2.gz ZWLTZDHQWYPZLM-QHCPKHFHSA-N 1 1 465.598 3.556 50 0 JHAAMO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccc(CO)o2)CC3)c1 ZINC000020601707 555842239 /nfs/dbraw/zinc/84/22/39/555842239.db2.gz ZWLTZDHQWYPZLM-QHCPKHFHSA-N 1 1 465.598 3.556 50 0 JHAAMO O=C(c1ccc(F)cc1Cl)N1CCOc2ccc(C[NH+]3CCN(c4ncccn4)CC3)cc2C1 ZINC000020601794 555842259 /nfs/dbraw/zinc/84/22/59/555842259.db2.gz XQLKDTHRWMYJFY-UHFFFAOYSA-N 1 1 481.959 3.626 50 0 JHAAMO COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2cccc(OC)c2)CC3)o1 ZINC000015001071 555845904 /nfs/dbraw/zinc/84/59/04/555845904.db2.gz SZNDLMMFSUWEFY-JOCHJYFZSA-N 1 1 481.597 3.602 50 0 JHAAMO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2cnc(-c4ccccc4)s2)CC3)cc1 ZINC000011910923 555858597 /nfs/dbraw/zinc/85/85/97/555858597.db2.gz RNTAUBXADCQYAE-UHFFFAOYSA-N 1 1 472.618 3.741 50 0 JHAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccc(OC)c(O)c2)CCO3)C1 ZINC000011969026 555872908 /nfs/dbraw/zinc/87/29/08/555872908.db2.gz XUKFWSXXEMQEQW-QHCPKHFHSA-N 1 1 481.637 3.876 50 0 JHAAMO CCC[NH+]1CCN(C(=O)c2cc3nc(-c4ccccc4F)n(CC)c3c(NC(C)=O)c2)CC1 ZINC000011972254 555874337 /nfs/dbraw/zinc/87/43/37/555874337.db2.gz AVGJSXYNZQIQBL-UHFFFAOYSA-N 1 1 451.546 3.989 50 0 JHAAMO O=c1c(Cl)c(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000015114750 555878654 /nfs/dbraw/zinc/87/86/54/555878654.db2.gz LBXZMCXVOZTZNK-KRWDZBQOSA-N 1 1 479.890 3.613 50 0 JHAAMO O=c1c(Cl)c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000015114750 555878656 /nfs/dbraw/zinc/87/86/56/555878656.db2.gz LBXZMCXVOZTZNK-KRWDZBQOSA-N 1 1 479.890 3.613 50 0 JHAAMO Cc1cccc(N2CCN(C(=O)c3cn(C4CCCCC4)cc(C(=O)NC(C)(C)C)c3=O)CC2)[nH+]1 ZINC000011999204 555881859 /nfs/dbraw/zinc/88/18/59/555881859.db2.gz ISODAKQTNBHSHQ-UHFFFAOYSA-N 1 1 479.625 3.548 50 0 JHAAMO Cc1cc(I)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000015514346 555912350 /nfs/dbraw/zinc/91/23/50/555912350.db2.gz CNAPOVYGJUCDHG-UHFFFAOYSA-N 1 1 483.394 3.653 50 0 JHAAMO C[C@H]1Cc2cc(C(=O)Nc3nc(C[N@H+]4C[C@H](C)C[C@H](C)C4)cs3)ccc2N1S(C)(=O)=O ZINC000022294999 555918226 /nfs/dbraw/zinc/91/82/26/555918226.db2.gz REPVYWFLCNTWKW-XHSDSOJGSA-N 1 1 462.641 3.584 50 0 JHAAMO C[C@H]1Cc2cc(C(=O)Nc3nc(C[N@@H+]4C[C@H](C)C[C@H](C)C4)cs3)ccc2N1S(C)(=O)=O ZINC000022294999 555918227 /nfs/dbraw/zinc/91/82/27/555918227.db2.gz REPVYWFLCNTWKW-XHSDSOJGSA-N 1 1 462.641 3.584 50 0 JHAAMO CCc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)cc(C)n1CC[NH+]1CCCCC1 ZINC000012149257 555921389 /nfs/dbraw/zinc/92/13/89/555921389.db2.gz YWLJMTGHUALRBO-UHFFFAOYSA-N 1 1 464.654 3.599 50 0 JHAAMO O=C(Cc1ccccc1)NCc1nnc2n1CC[N@H+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000012190507 555937398 /nfs/dbraw/zinc/93/73/98/555937398.db2.gz PWIFVTSZCCGUNF-UHFFFAOYSA-N 1 1 467.573 3.988 50 0 JHAAMO C[N@@H+](CCCNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)C1CCCCC1 ZINC000015722231 555956896 /nfs/dbraw/zinc/95/68/96/555956896.db2.gz OMROCLXDMJMTBI-UHFFFAOYSA-N 1 1 474.671 3.587 50 0 JHAAMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1)Cc1ccccc1 ZINC000015728141 555967826 /nfs/dbraw/zinc/96/78/26/555967826.db2.gz KMRPMKZPQBDYEI-JOCHJYFZSA-N 1 1 466.655 3.962 50 0 JHAAMO COc1ccc(COC[C@H](O)CN2CC[NH+](Cc3csc4ccccc34)CC2)cc1OC ZINC000022912350 555968103 /nfs/dbraw/zinc/96/81/03/555968103.db2.gz JDVYCUAGGKDMPJ-OAQYLSRUSA-N 1 1 456.608 3.614 50 0 JHAAMO CC[NH+]1CCN(c2nnc(-n3cccc3C(=O)Nc3ccc(Br)cc3F)s2)CC1 ZINC000015731330 555974444 /nfs/dbraw/zinc/97/44/44/555974444.db2.gz VEEBBOXYQJBXBJ-UHFFFAOYSA-N 1 1 479.379 3.625 50 0 JHAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)Nc1ccc(F)c(F)c1 ZINC000022935457 555988293 /nfs/dbraw/zinc/98/82/93/555988293.db2.gz YDTSRAVKTSHRIZ-UHFFFAOYSA-N 1 1 470.442 3.569 50 0 JHAAMO CCN1CC[NH+](Cc2ccc(NC(=O)CN3C(=O)CCc4cc(Br)ccc43)cc2)CC1 ZINC000022937935 555991048 /nfs/dbraw/zinc/99/10/48/555991048.db2.gz MPOVTELYSCWKSZ-UHFFFAOYSA-N 1 1 485.426 3.505 50 0 JHAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015774036 555992466 /nfs/dbraw/zinc/99/24/66/555992466.db2.gz XZWLKQNPGQBVPU-AREMUKBSSA-N 1 1 489.019 3.850 50 0 JHAAMO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)nc1CN1CCc2ccccc21 ZINC000015785947 556005541 /nfs/dbraw/zinc/00/55/41/556005541.db2.gz WTNIZTJNRGGIEL-UHFFFAOYSA-N 1 1 460.578 3.665 50 0 JHAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)n2)cc1 ZINC000015824953 556013303 /nfs/dbraw/zinc/01/33/03/556013303.db2.gz KDGZTDLFKLNWHV-UHFFFAOYSA-N 1 1 455.518 3.906 50 0 JHAAMO Cc1sc2nc(CSc3ccc(Br)cc3)nc(N3CC[NH2+][C@@H](C(N)=O)C3)c2c1C ZINC000012568460 556069039 /nfs/dbraw/zinc/06/90/39/556069039.db2.gz FXRZYPRHWOGRHF-OAHLLOKOSA-N 1 1 492.468 3.626 50 0 JHAAMO CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc2)cc1 ZINC000015933598 556071347 /nfs/dbraw/zinc/07/13/47/556071347.db2.gz QHMFMPDGFFEMJS-NRFANRHFSA-N 1 1 457.552 3.512 50 0 JHAAMO O=C(COC(=O)c1ccc(OCc2ccccc2)cc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023881484 556097912 /nfs/dbraw/zinc/09/79/12/556097912.db2.gz DAOYRVBATRNAEO-UHFFFAOYSA-N 1 1 474.557 3.571 50 0 JHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000023958640 556106797 /nfs/dbraw/zinc/10/67/97/556106797.db2.gz JQAKUGCMGCBMIF-UHFFFAOYSA-N 1 1 456.546 3.676 50 0 JHAAMO O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012928684 556146461 /nfs/dbraw/zinc/14/64/61/556146461.db2.gz VODWSNQVSLDLLR-UHFFFAOYSA-N 1 1 491.967 3.645 50 0 JHAAMO O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000025052488 556175153 /nfs/dbraw/zinc/17/51/53/556175153.db2.gz JNJDQGFTIYNYPM-CLJLJLNGSA-N 1 1 457.574 3.915 50 0 JHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CSc2nc3ccccc3c(=O)n2C(C)C)CC1 ZINC000012985307 556178951 /nfs/dbraw/zinc/17/89/51/556178951.db2.gz YSWUXNFPAJZBKE-UHFFFAOYSA-N 1 1 450.608 3.722 50 0 JHAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)n2)cc1 ZINC000017042702 556209489 /nfs/dbraw/zinc/20/94/89/556209489.db2.gz XKNWFVYRDINOOW-UHFFFAOYSA-N 1 1 451.596 3.965 50 0 JHAAMO O=C(c1nn(-c2ccccc2)c(=O)c2ccccc21)N(CCC[NH+]1CCOCC1)Cc1cccs1 ZINC000013026961 556219863 /nfs/dbraw/zinc/21/98/63/556219863.db2.gz OCLMNBPALIBVGL-UHFFFAOYSA-N 1 1 488.613 3.812 50 0 JHAAMO CCCCN(C(=O)C[N@@H+](C)C(c1ccccc1)c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013041249 556246212 /nfs/dbraw/zinc/24/62/12/556246212.db2.gz KISPNQXBZOAMMV-UHFFFAOYSA-N 1 1 491.636 3.629 50 0 JHAAMO CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018217148 556311961 /nfs/dbraw/zinc/31/19/61/556311961.db2.gz CYMCKQYQAXSQGN-VWLOTQADSA-N 1 1 497.705 3.984 50 0 JHAAMO Cc1nc2ncnn2c(C)c1CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013121104 556335779 /nfs/dbraw/zinc/33/57/79/556335779.db2.gz HKBRDFKFOKNJDO-UHFFFAOYSA-N 1 1 454.578 3.608 50 0 JHAAMO CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)n2)o1 ZINC000028893058 556343649 /nfs/dbraw/zinc/34/36/49/556343649.db2.gz GKQGUXQQOFXHAV-HZPDHXFCSA-N 1 1 468.579 3.901 50 0 JHAAMO CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)n2)o1 ZINC000028893065 556343684 /nfs/dbraw/zinc/34/36/84/556343684.db2.gz GKQGUXQQOFXHAV-IYBDPMFKSA-N 1 1 468.579 3.901 50 0 JHAAMO CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)n2)o1 ZINC000028893065 556343686 /nfs/dbraw/zinc/34/36/86/556343686.db2.gz GKQGUXQQOFXHAV-IYBDPMFKSA-N 1 1 468.579 3.901 50 0 JHAAMO COc1ccc(NC(=O)C[NH+]2CCC(CCc3ccc(C)cc3)CC2)cc1S(=O)(=O)N(C)C ZINC000029168456 556348501 /nfs/dbraw/zinc/34/85/01/556348501.db2.gz WKESFKHVEURGIB-UHFFFAOYSA-N 1 1 473.639 3.537 50 0 JHAAMO CC(=O)Nc1cc2nc(C)n(Cc3ccccc3)c2c(C(=O)NCC2([NH+]3CCOCC3)CCCC2)c1 ZINC000019741119 556364186 /nfs/dbraw/zinc/36/41/86/556364186.db2.gz REKNZSDMPRDAMX-UHFFFAOYSA-N 1 1 489.620 3.726 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2CC23CCN(C(=O)C2([NH+]4CCOCC4)CCCCC2)CC3)cc1Cl ZINC000019741591 556364695 /nfs/dbraw/zinc/36/46/95/556364695.db2.gz RPHWMSOIJHPRSY-FQEVSTJZSA-N 1 1 490.044 3.951 50 0 JHAAMO O=C(NCCC[NH+]1CCOCC1)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl ZINC000019757929 556366489 /nfs/dbraw/zinc/36/64/89/556366489.db2.gz VQHAPWYMRHJULN-UHFFFAOYSA-N 1 1 467.879 3.521 50 0 JHAAMO Cc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000019800430 556377444 /nfs/dbraw/zinc/37/74/44/556377444.db2.gz QTSOTDXVTNMALI-UHFFFAOYSA-N 1 1 481.593 3.674 50 0 JHAAMO Cc1cc(CN2CC[NH+](C[C@H](O)COC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)on1 ZINC000032491246 556436341 /nfs/dbraw/zinc/43/63/41/556436341.db2.gz WAPXLFORRSISIP-QHCPKHFHSA-N 1 1 457.521 3.546 50 0 JHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)CC1 ZINC000032865809 556516099 /nfs/dbraw/zinc/51/60/99/556516099.db2.gz OUINDZNQTNJFDR-UHFFFAOYSA-N 1 1 495.670 3.762 50 0 JHAAMO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(F)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000057122076 569594589 /nfs/dbraw/zinc/59/45/89/569594589.db2.gz RFCJBSJAGLJPRN-WLGONLEPSA-N 1 1 485.490 3.979 50 0 JHAAMO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(F)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000057122076 569594590 /nfs/dbraw/zinc/59/45/90/569594590.db2.gz RFCJBSJAGLJPRN-WLGONLEPSA-N 1 1 485.490 3.979 50 0 JHAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414712 569600157 /nfs/dbraw/zinc/60/01/57/569600157.db2.gz LBGQPOKEHJWTND-VWLOTQADSA-N 1 1 463.578 3.821 50 0 JHAAMO CCOC(=O)C1C(C[NH+]2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414712 569600158 /nfs/dbraw/zinc/60/01/58/569600158.db2.gz LBGQPOKEHJWTND-VWLOTQADSA-N 1 1 463.578 3.821 50 0 JHAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)C2CCN(c3nc4cccnc4s3)CC2)CC1 ZINC000063655785 569615697 /nfs/dbraw/zinc/61/56/97/569615697.db2.gz UHCSKBFIQZXSLY-UHFFFAOYSA-N 1 1 499.084 3.808 50 0 JHAAMO CCc1ccc(-c2nc3sc(N(C)CC(=O)N4CC[NH+](CC)CC4)nn3c2NC(C)(C)C)cc1 ZINC000064703781 569624521 /nfs/dbraw/zinc/62/45/21/569624521.db2.gz MREJPEQRTWZRHK-UHFFFAOYSA-N 1 1 483.686 3.831 50 0 JHAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801113 569631349 /nfs/dbraw/zinc/63/13/49/569631349.db2.gz RNFZXCXPFLIDID-UHFFFAOYSA-N 1 1 458.316 3.973 50 0 JHAAMO CCn1c2c(C(=O)Nc3cccc(C)c3C)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835909 569636537 /nfs/dbraw/zinc/63/65/37/569636537.db2.gz WNENOZMJPOFXAB-UHFFFAOYSA-N 1 1 455.562 3.943 50 0 JHAAMO O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000064847064 569638886 /nfs/dbraw/zinc/63/88/86/569638886.db2.gz DDVAYKVPHWCJQF-UHFFFAOYSA-N 1 1 487.664 3.598 50 0 JHAAMO COc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)C(C)(C)C)cn3)CC2)c(OC)c1OC ZINC000034681856 569643463 /nfs/dbraw/zinc/64/34/63/569643463.db2.gz XIIPMTSGUAFPRT-UHFFFAOYSA-N 1 1 456.587 3.804 50 0 JHAAMO Cc1nc2onc(-c3cccc(F)c3)c2c(OCC(=O)NCCC[N@H+]2CCc3ccccc3C2)n1 ZINC000065024855 569650088 /nfs/dbraw/zinc/65/00/88/569650088.db2.gz AXNXQUGKJGEIOA-UHFFFAOYSA-N 1 1 475.524 3.676 50 0 JHAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(COc2ccc(NC(=O)c3cccc(Cl)c3)cc2)on1 ZINC000065027355 569651785 /nfs/dbraw/zinc/65/17/85/569651785.db2.gz HZBWMHRCIYTJDY-UHFFFAOYSA-N 1 1 498.967 3.611 50 0 JHAAMO O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000065062041 569655637 /nfs/dbraw/zinc/65/56/37/569655637.db2.gz BWGHMRDBLGDFNR-UHFFFAOYSA-N 1 1 496.098 3.757 50 0 JHAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(C(=O)NCc2ccccc2)CC3)CC1 ZINC000034757176 569656747 /nfs/dbraw/zinc/65/67/47/569656747.db2.gz JTTXSSIVGUSRCU-UHFFFAOYSA-N 1 1 494.546 3.567 50 0 JHAAMO Cc1ccccc1C(=O)N1CCc2nc(N3CC[NH+](C)CC3)nc(Oc3ccc(F)c(F)c3)c2C1 ZINC000034758437 569657317 /nfs/dbraw/zinc/65/73/17/569657317.db2.gz GFDPSZWLPMUEQY-UHFFFAOYSA-N 1 1 479.531 3.806 50 0 JHAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(C(=O)c2ccc(F)cc2)CC3)CC1 ZINC000034758399 569657369 /nfs/dbraw/zinc/65/73/69/569657369.db2.gz SUAMABIPANGHHX-UHFFFAOYSA-N 1 1 483.494 3.637 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2n(n1)CCN(Cc1c(Cl)cccc1Cl)C2=O ZINC000034811701 569662009 /nfs/dbraw/zinc/66/20/09/569662009.db2.gz FRIQRRWYCXIGCM-MRXNPFEDSA-N 1 1 478.424 3.840 50 0 JHAAMO CC[NH+]1CCN(c2ccc(NC(=O)C(C)C)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000034919599 569672099 /nfs/dbraw/zinc/67/20/99/569672099.db2.gz XDEKVTQTPNZHKC-HSZRJFAPSA-N 1 1 484.666 3.779 50 0 JHAAMO Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCC[N@H+]4CCc5ccccc5C4)C3)nn2)cc1 ZINC000035398141 569688819 /nfs/dbraw/zinc/68/88/19/569688819.db2.gz LYDNODXNBPAXHH-RUZDIDTESA-N 1 1 455.606 3.843 50 0 JHAAMO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)N4CCN(c5ccccc5)CC4)CC3)cn2)cc1C ZINC000035403530 569691340 /nfs/dbraw/zinc/69/13/40/569691340.db2.gz YZEFTUBDDLBLHO-UHFFFAOYSA-N 1 1 455.606 3.927 50 0 JHAAMO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)N4CCN(c5ccccc5)CC4)CC3)cn2)cc1C ZINC000035403530 569691341 /nfs/dbraw/zinc/69/13/41/569691341.db2.gz YZEFTUBDDLBLHO-UHFFFAOYSA-N 1 1 455.606 3.927 50 0 JHAAMO Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)cc3)CCCC2)c1 ZINC000068832118 569692325 /nfs/dbraw/zinc/69/23/25/569692325.db2.gz ODWMHEUFTIWJHD-JOCHJYFZSA-N 1 1 497.661 3.726 50 0 JHAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(-c2nc(-c3ccc(F)cc3)no2)sc1C ZINC000035512498 569698503 /nfs/dbraw/zinc/69/85/03/569698503.db2.gz ONKDENSLVBAPTO-MRXNPFEDSA-N 1 1 450.561 3.675 50 0 JHAAMO Cc1cc(=O)oc2c3c(cc(OCC(=O)NC[C@@H]4CCC[N@H+]5CCCC[C@H]45)c12)OC(C)(C)CC3 ZINC000079188508 569707073 /nfs/dbraw/zinc/70/70/73/569707073.db2.gz FFWIPDNCIPMYOP-AZUAARDMSA-N 1 1 468.594 3.965 50 0 biogenic JHAAMO COc1ccc(OCC(=O)Nc2ccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)cc1 ZINC000085879867 569716466 /nfs/dbraw/zinc/71/64/66/569716466.db2.gz SWNACPXGMBBQDV-GBXCKJPGSA-N 1 1 451.567 3.707 50 0 biogenic JHAAMO CC(C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12 ZINC000035908099 569723934 /nfs/dbraw/zinc/72/39/34/569723934.db2.gz NAYZNTXGXVJWJY-FYYLOGMGSA-N 1 1 461.528 3.972 50 0 JHAAMO COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)NCC[NH+]1CCCCC1)C2 ZINC000035911141 569726366 /nfs/dbraw/zinc/72/63/66/569726366.db2.gz BXPSRSXZHBZHGX-XNMGPUDCSA-N 1 1 497.083 3.814 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccc(Cn3c(C)c(C)s/c3=N\C(=O)c3cccc(OC)c3)cc2)CC1 ZINC000095927253 569730487 /nfs/dbraw/zinc/73/04/87/569730487.db2.gz XKMUEQWPJMWOBG-DQSJHHFOSA-N 1 1 492.645 3.742 50 0 JHAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)COCc2cc(-c3cccs3)on2)CC1 ZINC000096358427 569740275 /nfs/dbraw/zinc/74/02/75/569740275.db2.gz UCCGODDFJQZNEX-UHFFFAOYSA-N 1 1 475.014 3.820 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036256894 569758819 /nfs/dbraw/zinc/75/88/19/569758819.db2.gz QBDMXLHSCBAFKB-PXDATVDWSA-N 1 1 472.649 3.523 50 0 JHAAMO Cc1ccc(Cc2c(C)nc(C)nc2N2CC[NH+](C[C@H](O)COc3ccc(F)cc3)CC2)cc1 ZINC000036340512 569763965 /nfs/dbraw/zinc/76/39/65/569763965.db2.gz PUCKWAAIWHRJFT-DEOSSOPVSA-N 1 1 464.585 3.694 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc(C)cc2)C1 ZINC000036340917 569764105 /nfs/dbraw/zinc/76/41/05/569764105.db2.gz FTNJJJCVRKYHIH-OFVILXPXSA-N 1 1 493.604 3.965 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc(C)cc2)C1 ZINC000036340917 569764106 /nfs/dbraw/zinc/76/41/06/569764106.db2.gz FTNJJJCVRKYHIH-OFVILXPXSA-N 1 1 493.604 3.965 50 0 JHAAMO COc1ccccc1[C@@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000036342332 569765606 /nfs/dbraw/zinc/76/56/06/569765606.db2.gz DRGGQOZWLNDVCW-DEOSSOPVSA-N 1 1 463.578 3.829 50 0 JHAAMO COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c(OC)c1 ZINC000036342481 569765801 /nfs/dbraw/zinc/76/58/01/569765801.db2.gz UUUCOXVUMUZVLZ-XMMPIXPASA-N 1 1 479.577 3.529 50 0 JHAAMO COc1cccc(-c2nc(N3CC[NH+](Cc4ccc(Cl)cc4)CC3)nc3nn(C)c(N)c32)c1 ZINC000037360014 569783920 /nfs/dbraw/zinc/78/39/20/569783920.db2.gz ZIGDFYGZLSHGCG-UHFFFAOYSA-N 1 1 463.973 3.597 50 0 JHAAMO O=C(COCc1ccccc1)N(CCC[NH+]1CCOCC1)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000037380988 569784982 /nfs/dbraw/zinc/78/49/82/569784982.db2.gz AFOHMBOLBRUTFL-UHFFFAOYSA-N 1 1 499.011 3.700 50 0 JHAAMO CC(C)NC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2cccs2)nc2ccccc21 ZINC000037384674 569785714 /nfs/dbraw/zinc/78/57/14/569785714.db2.gz TYUJUZMKQWTECN-UHFFFAOYSA-N 1 1 467.639 3.802 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3cccc(Br)c3)CC2)CC1 ZINC000037525217 569793370 /nfs/dbraw/zinc/79/33/70/569793370.db2.gz UPCQNVJNZMNDJT-UHFFFAOYSA-N 1 1 499.453 3.626 50 0 JHAAMO COc1ccccc1N1CC[NH+](Cc2coc(=O)c(C[N@@H+]3CC[C@H](c4ccccc4)C3)c2[O-])CC1 ZINC000101371324 569794507 /nfs/dbraw/zinc/79/45/07/569794507.db2.gz FNNYHJIZLAXPCW-QFIPXVFZSA-N 1 1 475.589 3.666 50 0 JHAAMO COc1ccccc1N1CC[NH+](Cc2coc(=O)c(C[N@H+]3CC[C@H](c4ccccc4)C3)c2[O-])CC1 ZINC000101371324 569794508 /nfs/dbraw/zinc/79/45/08/569794508.db2.gz FNNYHJIZLAXPCW-QFIPXVFZSA-N 1 1 475.589 3.666 50 0 JHAAMO COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)NCCC[NH+]4CCC(C)CC4)c3=O)c2c1 ZINC000101496593 569800681 /nfs/dbraw/zinc/80/06/81/569800681.db2.gz OWUKTTHNLZKLFH-UHFFFAOYSA-N 1 1 471.627 3.567 50 0 JHAAMO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](CC)CC3)N2[C@@H]1c1ccccc1F ZINC000102743544 569819514 /nfs/dbraw/zinc/81/95/14/569819514.db2.gz UIGIWTZZKOGKHU-JOCHJYFZSA-N 1 1 472.586 3.518 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105010784 569850950 /nfs/dbraw/zinc/85/09/50/569850950.db2.gz LIJNMDQLLDMOCL-PXDATVDWSA-N 1 1 493.604 3.965 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105010784 569850951 /nfs/dbraw/zinc/85/09/51/569850951.db2.gz LIJNMDQLLDMOCL-PXDATVDWSA-N 1 1 493.604 3.965 50 0 JHAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000106535646 569854292 /nfs/dbraw/zinc/85/42/92/569854292.db2.gz JJHRXZGFKLPUEV-LYXWCMDISA-N 1 1 453.901 3.527 50 0 JHAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccco3)[C@@H](C)C2)cc1 ZINC000169680205 569870374 /nfs/dbraw/zinc/87/03/74/569870374.db2.gz UDPIMYXLRZYHFQ-DFBJGRDBSA-N 1 1 463.603 3.970 50 0 JHAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccco3)[C@@H](C)C2)cc1 ZINC000169680205 569870375 /nfs/dbraw/zinc/87/03/75/569870375.db2.gz UDPIMYXLRZYHFQ-DFBJGRDBSA-N 1 1 463.603 3.970 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000169681679 569870799 /nfs/dbraw/zinc/87/07/99/569870799.db2.gz NXBWNZQLVIBNQH-NFBKMPQASA-N 1 1 478.630 3.890 50 0 JHAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@@H+](CC3CCCCC3)C2)nn1 ZINC000209188275 569875950 /nfs/dbraw/zinc/87/59/50/569875950.db2.gz JROHFOLLKDUPAV-FPOVZHCZSA-N 1 1 493.530 3.596 50 0 JHAAMO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(=O)C(C)(C)C ZINC000229680787 570040870 /nfs/dbraw/zinc/04/08/70/570040870.db2.gz KRFDNMSIZGUOFU-LRSLUSHPSA-N 1 1 458.514 3.604 50 0 JHAAMO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(=O)C(C)(C)C ZINC000229680787 570040872 /nfs/dbraw/zinc/04/08/72/570040872.db2.gz KRFDNMSIZGUOFU-LRSLUSHPSA-N 1 1 458.514 3.604 50 0 JHAAMO FC(F)(F)c1ccc(N2CCN(C3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)CC2)nc1 ZINC000240122683 570052839 /nfs/dbraw/zinc/05/28/39/570052839.db2.gz WGXHLKRHMPJGAM-FQEVSTJZSA-N 1 1 462.516 3.527 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000247934199 570071387 /nfs/dbraw/zinc/07/13/87/570071387.db2.gz RQKPMLMXMQTLBT-ORQYLMBXSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000247934199 570071388 /nfs/dbraw/zinc/07/13/88/570071388.db2.gz RQKPMLMXMQTLBT-ORQYLMBXSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000252517573 570083011 /nfs/dbraw/zinc/08/30/11/570083011.db2.gz LVJRPHZSTWKCLS-YDSTWLSQSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000252517573 570083012 /nfs/dbraw/zinc/08/30/12/570083012.db2.gz LVJRPHZSTWKCLS-YDSTWLSQSA-N 1 1 456.329 3.733 50 0 JHAAMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H]1C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]31)[C@@H](C)C2 ZINC000252694020 570094664 /nfs/dbraw/zinc/09/46/64/570094664.db2.gz HEAXKDZPAXOEMH-RQMZEXTKSA-N 1 1 455.595 3.735 50 0 biogenic JHAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1 ZINC000009432643 194777720 /nfs/dbraw/zinc/77/77/20/194777720.db2.gz AQRRKROYVNHXAM-XZOQPEGZSA-N 1 1 457.640 3.913 50 0 JHAAMO C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000009862985 195002650 /nfs/dbraw/zinc/00/26/50/195002650.db2.gz NTDICMCVYHYYEA-UHFFFAOYSA-N 1 1 455.562 3.908 50 0 JHAAMO C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000009862985 195002652 /nfs/dbraw/zinc/00/26/52/195002652.db2.gz NTDICMCVYHYYEA-UHFFFAOYSA-N 1 1 455.562 3.908 50 0 JHAAMO COc1cccc(N2C(=O)C[C@@H]([NH+]3CCC(C4CCN(C(=O)c5ccccc5)CC4)CC3)C2=O)c1 ZINC000009934066 195026243 /nfs/dbraw/zinc/02/62/43/195026243.db2.gz UKWLGNGUUGRADO-RUZDIDTESA-N 1 1 475.589 3.592 50 0 JHAAMO COc1ccc2[nH]cc(CCNC3=[NH+][C@@H](c4ccc(Cl)cc4)n4c(=O)cc(C)nc4N3)c2c1 ZINC000009936895 195028147 /nfs/dbraw/zinc/02/81/47/195028147.db2.gz YEHMDKBGYDVXGS-JOCHJYFZSA-N 1 1 462.941 3.856 50 0 JHAAMO C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000012694296 195089608 /nfs/dbraw/zinc/08/96/08/195089608.db2.gz ZRWHBTONCAVWFY-YADARESESA-N 1 1 479.602 3.986 50 0 JHAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1I ZINC000012752266 195106634 /nfs/dbraw/zinc/10/66/34/195106634.db2.gz DRXYPVJDIRGYQX-UHFFFAOYSA-N 1 1 491.373 3.567 50 0 JHAAMO O=c1c(Cl)c(N2CC[NH+](CCc3ccccc3)CC2)cnn1CCOc1ccc(Cl)cc1 ZINC000012754551 195108130 /nfs/dbraw/zinc/10/81/30/195108130.db2.gz PIBMKLHEXNWBNJ-UHFFFAOYSA-N 1 1 473.404 3.994 50 0 JHAAMO COc1ccc([C@H]([NH2+]CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 ZINC000012771180 195117701 /nfs/dbraw/zinc/11/77/01/195117701.db2.gz IRGHQJJHKQQCRZ-JYFHCDHNSA-N 1 1 464.587 3.595 50 0 JHAAMO O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012863764 195160425 /nfs/dbraw/zinc/16/04/25/195160425.db2.gz BTOIQVDJRDQFLN-KRWDZBQOSA-N 1 1 474.321 3.815 50 0 JHAAMO CCc1ccc(C2=NN(CCC(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C(=O)CC2)cc1 ZINC000020733662 195211531 /nfs/dbraw/zinc/21/15/31/195211531.db2.gz LIRPTIWGSLVULP-UHFFFAOYSA-N 1 1 496.055 3.557 50 0 JHAAMO CCc1ccc(C[N@H+]2CCc3c(C(=O)OC)c(OCc4ccc(F)cc4)cc(=O)n3CC2)o1 ZINC000020997624 195264841 /nfs/dbraw/zinc/26/48/41/195264841.db2.gz BEFVJDICDUWENG-UHFFFAOYSA-N 1 1 454.498 3.567 50 0 JHAAMO CCc1ccc(C[N@@H+]2CCc3c(C(=O)OC)c(OCc4ccc(F)cc4)cc(=O)n3CC2)o1 ZINC000020997624 195264845 /nfs/dbraw/zinc/26/48/45/195264845.db2.gz BEFVJDICDUWENG-UHFFFAOYSA-N 1 1 454.498 3.567 50 0 JHAAMO CC(=O)N1CCCSc2ccc(S(=O)(=O)N3CCC(C[N@H+]4CCc5ccccc5C4)CC3)cc21 ZINC000021154553 195284631 /nfs/dbraw/zinc/28/46/31/195284631.db2.gz ZJJKZLJGYKNKEJ-UHFFFAOYSA-N 1 1 499.702 3.994 50 0 JHAAMO Cc1ccc(C)c(Cn2c3ccccc3nc2N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)c1 ZINC000021159635 195286265 /nfs/dbraw/zinc/28/62/65/195286265.db2.gz GWXMHZHIMHVXCK-UHFFFAOYSA-N 1 1 489.664 3.756 50 0 JHAAMO CCCCOc1ccc(-c2cc3c(N4CCC(C(=O)N5CC[NH+](CC)CC5)CC4)nccn3n2)cc1 ZINC000021932523 195335597 /nfs/dbraw/zinc/33/55/97/195335597.db2.gz HRFAJPNHNHTWAD-UHFFFAOYSA-N 1 1 490.652 3.956 50 0 JHAAMO O=C(COCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)NCC(F)(F)F ZINC000058140351 195366655 /nfs/dbraw/zinc/36/66/55/195366655.db2.gz LUWXWKULSXHDKZ-JOCHJYFZSA-N 1 1 469.935 3.742 50 0 JHAAMO Cn1c(C[C@@H]2CCS(=O)(=O)C2)nn(C[NH2+]C2(c3ccc(Cl)cc3)CCCCC2)c1=S ZINC000058161895 195369342 /nfs/dbraw/zinc/36/93/42/195369342.db2.gz ZOPLCRMPSPVFKJ-INIZCTEOSA-N 1 1 469.076 3.988 50 0 JHAAMO O=C(C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1)Nc1ccc(I)cc1 ZINC000058174240 195371368 /nfs/dbraw/zinc/37/13/68/195371368.db2.gz JXRRIUVJRZTADX-QUCCMNQESA-N 1 1 450.320 3.818 50 0 JHAAMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1)Nc1ccc(I)cc1 ZINC000058174240 195371371 /nfs/dbraw/zinc/37/13/71/195371371.db2.gz JXRRIUVJRZTADX-QUCCMNQESA-N 1 1 450.320 3.818 50 0 JHAAMO O=C(Cc1cccc(N(Cc2ccccc2)C(=O)C2CCCC2)c1)NCCC[NH+]1CCOCC1 ZINC000096281109 130026633 /nfs/dbraw/zinc/02/66/33/130026633.db2.gz MAGVLBQGBPOMBW-UHFFFAOYSA-N 1 1 463.622 3.791 50 0 JHAAMO CC(=O)c1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000033277331 518363406 /nfs/dbraw/zinc/36/34/06/518363406.db2.gz LJQQCQAMWXZHHY-UHFFFAOYSA-N 1 1 458.562 3.766 50 0 JHAAMO CC(=O)c1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000033277331 518363410 /nfs/dbraw/zinc/36/34/10/518363410.db2.gz LJQQCQAMWXZHHY-UHFFFAOYSA-N 1 1 458.562 3.766 50 0 JHAAMO CC(C)CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COCc1ccccc1 ZINC000036159158 519652645 /nfs/dbraw/zinc/65/26/45/519652645.db2.gz WISDSVIIHATGFZ-LJQANCHMSA-N 1 1 455.624 3.899 50 0 JHAAMO CC(C)CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COCc1ccccc1 ZINC000036159158 519652650 /nfs/dbraw/zinc/65/26/50/519652650.db2.gz WISDSVIIHATGFZ-LJQANCHMSA-N 1 1 455.624 3.899 50 0 JHAAMO CC(C)[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016424453 519819421 /nfs/dbraw/zinc/81/94/21/519819421.db2.gz INLJSNSXTAYILB-NRFANRHFSA-N 1 1 473.415 3.940 50 0 JHAAMO CCOc1ccc(NC(=O)c2c(NC(=O)CN3CC[NH+](C)CC3)sc3c2CCCCC3)cc1 ZINC000022635486 521113452 /nfs/dbraw/zinc/11/34/52/521113452.db2.gz XAPCNZUWINKJLR-UHFFFAOYSA-N 1 1 470.639 3.854 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](O)COC ZINC000036309415 521535019 /nfs/dbraw/zinc/53/50/19/521535019.db2.gz NURVWNZHPAZHMX-UNMCSNQZSA-N 1 1 460.640 3.589 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@@H](O)COCC ZINC000036309504 521536823 /nfs/dbraw/zinc/53/68/23/521536823.db2.gz GGJRHBRRDUBYHT-OFNKIYASSA-N 1 1 460.640 3.671 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C[C@@H](O)COC ZINC000036309288 521537357 /nfs/dbraw/zinc/53/73/57/521537357.db2.gz USIMAWVJMDFGEJ-NQIIRXRSSA-N 1 1 467.031 3.626 50 0 JHAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)CN1CCOCC1 ZINC000036307750 521678400 /nfs/dbraw/zinc/67/84/00/521678400.db2.gz QKRVXCSHXLSTRO-QHCPKHFHSA-N 1 1 482.600 3.924 50 0 JHAAMO CCN1CC[NH+](CCCNC(=O)c2cccc([C@@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)CC1 ZINC000033035793 521681427 /nfs/dbraw/zinc/68/14/27/521681427.db2.gz JGVCXCVOVWMRIF-RUZDIDTESA-N 1 1 477.653 3.856 50 0 JHAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000022457543 521696023 /nfs/dbraw/zinc/69/60/23/521696023.db2.gz NTRYPVBJLOOOHU-KXBFYZLASA-N 1 1 472.474 3.556 50 0 JHAAMO COC(=O)c1ccc2c(c1)nc(N1CC[NH+](Cc3ccccc3)CC1)n(Cc1ccc(OC)cc1)c2=O ZINC000033300646 522183783 /nfs/dbraw/zinc/18/37/83/522183783.db2.gz XUFGJXUIVDVPSB-UHFFFAOYSA-N 1 1 498.583 3.562 50 0 JHAAMO COc1cc(C)c(S(=O)(=O)N2CCN(c3nc(Nc4ccccc4)cc(C)[nH+]3)CC2)cc1C ZINC000064977938 522220115 /nfs/dbraw/zinc/22/01/15/522220115.db2.gz MELDLTXZTLQSFK-UHFFFAOYSA-N 1 1 467.595 3.665 50 0 JHAAMO CCc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000033139805 522508093 /nfs/dbraw/zinc/50/80/93/522508093.db2.gz MVOSIPABXMHILM-UHFFFAOYSA-N 1 1 457.376 3.606 50 0 JHAAMO CC[C@@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309591 522991278 /nfs/dbraw/zinc/99/12/78/522991278.db2.gz UXEFLGCRXMHKNJ-KNQAVFIVSA-N 1 1 464.603 3.501 50 0 JHAAMO C[N@@H+](CCn1cc(C(=O)NCc2ccncc2)nn1)Cc1ccc(-c2ccccc2Cl)o1 ZINC000014976322 523000605 /nfs/dbraw/zinc/00/06/05/523000605.db2.gz IJLAUWXCYLWIIK-UHFFFAOYSA-N 1 1 450.930 3.649 50 0 JHAAMO CCn1c(C)cc(O)c([C@H](c2ccc(OC)cc2OC)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000022697362 523140675 /nfs/dbraw/zinc/14/06/75/523140675.db2.gz RPFYNPLBLFWIEA-SANMLTNESA-N 1 1 463.578 3.811 50 0 JHAAMO CCn1c(C)cc(O)c([C@H](c2ccc(OC)c(OC)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697334 523140939 /nfs/dbraw/zinc/14/09/39/523140939.db2.gz LEHVKWHJPHITSX-SANMLTNESA-N 1 1 481.568 3.950 50 0 JHAAMO CC[C@H]1CN(C(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c2ccccc2O1 ZINC000020489432 523229833 /nfs/dbraw/zinc/22/98/33/523229833.db2.gz GAPWEMGLJNRCNC-DEOSSOPVSA-N 1 1 476.621 3.840 50 0 JHAAMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000016631355 523311327 /nfs/dbraw/zinc/31/13/27/523311327.db2.gz GBOAVMVSANTGAV-JOCHJYFZSA-N 1 1 463.530 3.961 50 0 JHAAMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000016631355 523311334 /nfs/dbraw/zinc/31/13/34/523311334.db2.gz GBOAVMVSANTGAV-JOCHJYFZSA-N 1 1 463.530 3.961 50 0 JHAAMO COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020403780 523909613 /nfs/dbraw/zinc/90/96/13/523909613.db2.gz INOGDZRAJLMPBW-VWLOTQADSA-N 1 1 457.574 3.888 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033062162 524099646 /nfs/dbraw/zinc/09/96/46/524099646.db2.gz IGGCFTJVJSXEES-OAHLLOKOSA-N 1 1 450.008 3.757 50 0 JHAAMO COc1ccccc1-c1csc2[nH]c(C[N@H+](CC(C)C)C[C@@H](O)COC(C)C)nc(=O)c12 ZINC000036206537 524277153 /nfs/dbraw/zinc/27/71/53/524277153.db2.gz SJXWROAYSRPOFK-QGZVFWFLSA-N 1 1 459.612 3.904 50 0 JHAAMO COc1ccccc1-c1csc2[nH]c(C[N@@H+](CC(C)C)C[C@@H](O)COC(C)C)nc(=O)c12 ZINC000036206537 524277158 /nfs/dbraw/zinc/27/71/58/524277158.db2.gz SJXWROAYSRPOFK-QGZVFWFLSA-N 1 1 459.612 3.904 50 0 JHAAMO Cc1cccc(C[NH+]2CCN([C@H](C)C(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000022920516 524399311 /nfs/dbraw/zinc/39/93/11/524399311.db2.gz QDZJQEXRQQDILU-LJQANCHMSA-N 1 1 476.543 3.617 50 0 JHAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3cccc(F)c3)[nH]c(=O)c2C1 ZINC000020467764 524456755 /nfs/dbraw/zinc/45/67/55/524456755.db2.gz QJJJBYMRLICGAU-UHFFFAOYSA-N 1 1 454.527 3.619 50 0 JHAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3cccc(F)c3)[nH]c(=O)c2C1 ZINC000020467764 524456758 /nfs/dbraw/zinc/45/67/58/524456758.db2.gz QJJJBYMRLICGAU-UHFFFAOYSA-N 1 1 454.527 3.619 50 0 JHAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)C3CCN(c4nc5ccccc5[nH]4)CC3)C[C@@H]2C)c1 ZINC000033071066 524556106 /nfs/dbraw/zinc/55/61/06/524556106.db2.gz ZKUZPNSGTVECBC-QFIPXVFZSA-N 1 1 474.653 3.805 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000020464053 524603749 /nfs/dbraw/zinc/60/37/49/524603749.db2.gz LYIVDCCDLKARIB-LIONHTAISA-N 1 1 471.557 3.977 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000020464053 524603756 /nfs/dbraw/zinc/60/37/56/524603756.db2.gz LYIVDCCDLKARIB-LIONHTAISA-N 1 1 471.557 3.977 50 0 JHAAMO C[C@@H](CNC(=O)c1cn(C)c2ccccc2c1=O)Oc1cccc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000012330966 524728834 /nfs/dbraw/zinc/72/88/34/524728834.db2.gz YHZWJXJZYYLRGC-IBGZPJMESA-N 1 1 459.546 3.961 50 0 JHAAMO Cc1ccc(NC(=O)N2CC[NH+](CCn3c4ncccc4nc3-c3ccncc3)CC2)cc1F ZINC000033139790 525132416 /nfs/dbraw/zinc/13/24/16/525132416.db2.gz OVINYVXTQUIDGV-UHFFFAOYSA-N 1 1 459.529 3.791 50 0 JHAAMO Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035485280 525217486 /nfs/dbraw/zinc/21/74/86/525217486.db2.gz RVAXFCRBPSLXDO-UIOOFZCWSA-N 1 1 452.558 3.857 50 0 biogenic JHAAMO Cc1ccc(OCc2nnc(S[C@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1 ZINC000048324034 525452645 /nfs/dbraw/zinc/45/26/45/525452645.db2.gz CCPYQYNKGCODPL-UYAOXDASSA-N 1 1 452.580 3.828 50 0 JHAAMO Cc1ccc(-c2nc3cccnc3n2CC[NH+]2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000033139749 525826581 /nfs/dbraw/zinc/82/65/81/525826581.db2.gz DJICYAZLMAYKGK-UHFFFAOYSA-N 1 1 484.560 3.985 50 0 JHAAMO Cc1ccc(-c2nnc3ccc(N4CCC(C(=O)N5CC[NH+](Cc6ccccc6)CC5)CC4)nn32)cc1 ZINC000033260283 525861826 /nfs/dbraw/zinc/86/18/26/525861826.db2.gz MAWHMCBUBAWZEW-UHFFFAOYSA-N 1 1 495.631 3.661 50 0 JHAAMO COc1cccc(COC[C@@H](O)C[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1 ZINC000022546890 526052097 /nfs/dbraw/zinc/05/20/97/526052097.db2.gz ALMDSQFDWQFRDT-QHCPKHFHSA-N 1 1 453.608 3.514 50 0 JHAAMO Cc1cc(=O)nc2c3ccccc3n([C@@H](C)C(=O)NCCC[N@@H+](Cc3ccccc3)C(C)C)n21 ZINC000020464916 526145399 /nfs/dbraw/zinc/14/53/99/526145399.db2.gz YGXBWNXDDAKXJA-NRFANRHFSA-N 1 1 459.594 3.936 50 0 JHAAMO Cc1ccc2c(c1)cc(CN1CCC(C(N)=O)([NH+]3CCCCC3)CC1)c(=O)n2Cc1cccc(F)c1 ZINC000014985116 526217657 /nfs/dbraw/zinc/21/76/57/526217657.db2.gz GBAULJDFBRXAHS-UHFFFAOYSA-N 1 1 490.623 3.803 50 0 JHAAMO O=C(c1ccc(CN2C(=O)CSc3ncccc32)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021872577 526668947 /nfs/dbraw/zinc/66/89/47/526668947.db2.gz DGRZGLRJBLUETC-UHFFFAOYSA-N 1 1 458.587 3.679 50 0 JHAAMO O=C(CSc1nc(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cs1)Nc1ccc(F)cc1 ZINC000022735433 527054383 /nfs/dbraw/zinc/05/43/83/527054383.db2.gz PIRYWENJGISEIR-UHFFFAOYSA-N 1 1 484.622 3.900 50 0 JHAAMO O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1CN1CC[NH+](Cc2cccs2)CC1 ZINC000022806295 527057944 /nfs/dbraw/zinc/05/79/44/527057944.db2.gz WESHZTPDFFFZOA-UHFFFAOYSA-N 1 1 474.630 3.599 50 0 JHAAMO O=C(Cc1ccc(F)cc1)NCCCOc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000014879822 527229368 /nfs/dbraw/zinc/22/93/68/527229368.db2.gz DILHXJBUAIZARL-UHFFFAOYSA-N 1 1 462.569 3.671 50 0 JHAAMO O[C@@H](COc1ccc(Br)cc1Br)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000012420378 527659731 /nfs/dbraw/zinc/65/97/31/527659731.db2.gz CNLVOWAMLOVFJG-OAHLLOKOSA-N 1 1 488.195 3.913 50 0 JHAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000020508512 527672457 /nfs/dbraw/zinc/67/24/57/527672457.db2.gz PIQAOFONNJIRJD-BJKOFHAPSA-N 1 1 467.635 3.810 50 0 JHAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060358 527674855 /nfs/dbraw/zinc/67/48/55/527674855.db2.gz GXQKYUWUZXZDCK-UHFFFAOYSA-N 1 1 455.971 3.622 50 0 JHAAMO COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)N3CC[N@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000000920543 553853580 /nfs/dbraw/zinc/85/35/80/553853580.db2.gz HHTPQGFGDMSKOS-MRXNPFEDSA-N 1 1 466.529 3.960 50 0 JHAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N1CCc2cc(OC)c(OC)cc2C1 ZINC000008856865 554753017 /nfs/dbraw/zinc/75/30/17/554753017.db2.gz STCFINHHCXKXIR-UPVQGACJSA-N 1 1 452.595 3.906 50 0 JHAAMO COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@@H]1[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000008856865 554753020 /nfs/dbraw/zinc/75/30/20/554753020.db2.gz STCFINHHCXKXIR-UPVQGACJSA-N 1 1 452.595 3.906 50 0 JHAAMO COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@@H]1[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000008856865 554753021 /nfs/dbraw/zinc/75/30/21/554753021.db2.gz STCFINHHCXKXIR-UPVQGACJSA-N 1 1 452.595 3.906 50 0 JHAAMO Cc1c(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c(=O)n(-c2ccccc2)n1C ZINC000008861417 554758501 /nfs/dbraw/zinc/75/85/01/554758501.db2.gz ZZEOAIORGNRJBW-SFHVURJKSA-N 1 1 461.591 3.912 50 0 JHAAMO Cc1c(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c(=O)n(-c2ccccc2)n1C ZINC000008861417 554758502 /nfs/dbraw/zinc/75/85/02/554758502.db2.gz ZZEOAIORGNRJBW-SFHVURJKSA-N 1 1 461.591 3.912 50 0 JHAAMO CC[NH+]1CCN(c2nc(Nc3cc(OC)ccc3OC)nc(Nc3cc(OC)ccc3OC)n2)CC1 ZINC000009237900 555012940 /nfs/dbraw/zinc/01/29/40/555012940.db2.gz VIUPGTYZTMXWQH-UHFFFAOYSA-N 1 1 495.584 3.535 50 0 JHAAMO COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000009269260 555044178 /nfs/dbraw/zinc/04/41/78/555044178.db2.gz OAPQIKPEZKTAJQ-UHFFFAOYSA-N 1 1 455.580 3.694 50 0 JHAAMO CCC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2cc(C)cc(C)c2)cn3C)CC1 ZINC000009435652 555207145 /nfs/dbraw/zinc/20/71/45/555207145.db2.gz NCTAPMKSHXKUAB-UHFFFAOYSA-N 1 1 471.598 3.659 50 0 JHAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013164015 555363331 /nfs/dbraw/zinc/36/33/31/555363331.db2.gz SHIYUYCFMIYVFX-JOCHJYFZSA-N 1 1 462.015 3.691 50 0 JHAAMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCC1 ZINC000009723767 555455543 /nfs/dbraw/zinc/45/55/43/555455543.db2.gz XBBCRBKCZDDFPS-QFIPXVFZSA-N 1 1 471.623 3.818 50 0 JHAAMO Cc1ccc(-c2csc3ncn(CC(=O)N[C@H]4CC[N@@H+](Cc5ccccc5)C4)c(=O)c23)cc1 ZINC000009743231 555474827 /nfs/dbraw/zinc/47/48/27/555474827.db2.gz GIEDVRLOZAPHAE-NRFANRHFSA-N 1 1 458.587 3.824 50 0 JHAAMO O=C(CCc1nnc2ccc(NCc3ccccc3Cl)nn21)NC[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000009744036 555475485 /nfs/dbraw/zinc/47/54/85/555475485.db2.gz CACFTUXWFCSINI-SFHVURJKSA-N 1 1 482.032 3.703 50 0 JHAAMO C[C@@H](C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)N1C(=O)c2ccccc2C1=O ZINC000019854709 555512061 /nfs/dbraw/zinc/51/20/61/555512061.db2.gz XLJWDUQENLBQQP-SFHVURJKSA-N 1 1 451.526 3.585 50 0 JHAAMO C[C@H](C(=O)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1)c1n[nH]c(=O)c2ccccc21 ZINC000019866609 555521457 /nfs/dbraw/zinc/52/14/57/555521457.db2.gz IEQAWYCHGBSWSI-BVZFJXPGSA-N 1 1 486.547 3.918 50 0 JHAAMO C[C@H](C(=O)NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1)c1n[nH]c(=O)c2ccccc21 ZINC000019866609 555521459 /nfs/dbraw/zinc/52/14/59/555521459.db2.gz IEQAWYCHGBSWSI-BVZFJXPGSA-N 1 1 486.547 3.918 50 0 JHAAMO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCc4ccc(OC)c(OC)c4)CC3)C2=O)cc1 ZINC000019890252 555529821 /nfs/dbraw/zinc/52/98/21/555529821.db2.gz FEIWUUVSSDLTQG-QHCPKHFHSA-N 1 1 494.588 3.857 50 0 JHAAMO CCCC[N@@H+](C)CCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000009833538 555536267 /nfs/dbraw/zinc/53/62/67/555536267.db2.gz RFDPNOBNTSXWIS-UHFFFAOYSA-N 1 1 496.471 3.779 50 0 JHAAMO Cc1ccc(-c2nn(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)c3ccccc32)cc1 ZINC000019928809 555544614 /nfs/dbraw/zinc/54/46/14/555544614.db2.gz NLFPICJIGFEYBU-UHFFFAOYSA-N 1 1 452.558 3.716 50 0 JHAAMO Cc1ccccc1N1C(=O)[C@H]2[C@@H](C(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000013689436 555582962 /nfs/dbraw/zinc/58/29/62/555582962.db2.gz ZYDJWCHSNJXKHT-GBRARVNLSA-N 1 1 490.563 3.685 50 0 JHAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000013726209 555600662 /nfs/dbraw/zinc/60/06/62/555600662.db2.gz NCPKRPQZGUGTBT-GBRARVNLSA-N 1 1 490.563 3.685 50 0 JHAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000010030501 555601069 /nfs/dbraw/zinc/60/10/69/555601069.db2.gz HTBMWRQCTGZLQU-VWLOTQADSA-N 1 1 477.630 3.631 50 0 JHAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c(OC)c1 ZINC000010056171 555607689 /nfs/dbraw/zinc/60/76/89/555607689.db2.gz UGHURQLSSOCYQY-HSZRJFAPSA-N 1 1 469.557 3.531 50 0 JHAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c(OC)c1 ZINC000010056171 555607694 /nfs/dbraw/zinc/60/76/94/555607694.db2.gz UGHURQLSSOCYQY-HSZRJFAPSA-N 1 1 469.557 3.531 50 0 JHAAMO CCOC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214538 555710181 /nfs/dbraw/zinc/71/01/81/555710181.db2.gz DGIPDWQVYZJYKX-VWLOTQADSA-N 1 1 484.641 3.595 50 0 JHAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000014201390 555732955 /nfs/dbraw/zinc/73/29/55/555732955.db2.gz LUTLCJTVMMIAHV-SFHVURJKSA-N 1 1 484.647 3.899 50 0 JHAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000014201390 555732958 /nfs/dbraw/zinc/73/29/58/555732958.db2.gz LUTLCJTVMMIAHV-SFHVURJKSA-N 1 1 484.647 3.899 50 0 JHAAMO CCCC[N@@H+](CC)CCCNC(=O)C[S@](=O)Cc1nc(-c2ccc(OC)c(OC)c2)oc1C ZINC000020241738 555737241 /nfs/dbraw/zinc/73/72/41/555737241.db2.gz XQOYTKUDEDCIIZ-XIFFEERXSA-N 1 1 479.643 3.544 50 0 JHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000014242369 555744021 /nfs/dbraw/zinc/74/40/21/555744021.db2.gz SRYMHCJAWCPVPZ-OAQYLSRUSA-N 1 1 495.567 3.511 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCc2nnc3ccc(N4CCC(C)CC4)nn32)o1 ZINC000020530501 555797605 /nfs/dbraw/zinc/79/76/05/555797605.db2.gz PUEKXZTXIJQGCV-OAQYLSRUSA-N 1 1 493.656 3.967 50 0 JHAAMO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000011715162 555805229 /nfs/dbraw/zinc/80/52/29/555805229.db2.gz RQNAIKUHHNROPQ-AREMUKBSSA-N 1 1 451.567 3.613 50 0 JHAAMO C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccccc1-c1ccco1)CC2 ZINC000011782615 555813348 /nfs/dbraw/zinc/81/33/48/555813348.db2.gz FCJGJLSUQRQIDK-FQEVSTJZSA-N 1 1 471.561 3.853 50 0 JHAAMO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([N@@H+](C)Cc1nc3ccccc3s1)C2 ZINC000014539585 555829644 /nfs/dbraw/zinc/82/96/44/555829644.db2.gz YOUVRGDWRXRIJQ-SFHVURJKSA-N 1 1 467.639 3.611 50 0 JHAAMO CC(C)Oc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1 ZINC000011881499 555849959 /nfs/dbraw/zinc/84/99/59/555849959.db2.gz IMKWFTSICWHIGR-KRWDZBQOSA-N 1 1 469.536 3.893 50 0 JHAAMO CS(=O)(=O)N1CCCc2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc21 ZINC000022089795 555872969 /nfs/dbraw/zinc/87/29/69/555872969.db2.gz PXEJFJIVZXNZFM-UHFFFAOYSA-N 1 1 489.641 3.946 50 0 JHAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)c3cc(F)ccc3F)n2CC1 ZINC000011997570 555879387 /nfs/dbraw/zinc/87/93/87/555879387.db2.gz IYSFOFNUKKUJJH-QQOXCAACSA-N 1 1 467.520 3.627 50 0 JHAAMO C[N@@H+](C1CCOCC1)C1CCN(c2ccc(CC(=O)NCCc3cccc(F)c3)cc2)CC1 ZINC000012152302 555926022 /nfs/dbraw/zinc/92/60/22/555926022.db2.gz BSSOOWLZZUSDGN-UHFFFAOYSA-N 1 1 453.602 3.807 50 0 JHAAMO COc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)cc1OC ZINC000015726297 555964277 /nfs/dbraw/zinc/96/42/77/555964277.db2.gz FBKCSQSLGZTFMG-UHFFFAOYSA-N 1 1 482.537 3.622 50 0 JHAAMO COc1ccc(OC)c(NC(=O)C2CC[NH+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)c1 ZINC000015726321 555964283 /nfs/dbraw/zinc/96/42/83/555964283.db2.gz CWAMRWWHBJDROO-UHFFFAOYSA-N 1 1 482.537 3.622 50 0 JHAAMO COc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)c(OC)c1 ZINC000015726295 555964368 /nfs/dbraw/zinc/96/43/68/555964368.db2.gz RBWHTNDJCSSIKS-UHFFFAOYSA-N 1 1 482.537 3.622 50 0 JHAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCc4ccc(C)cc4)CC3)n2)cc1OC ZINC000015726393 555964670 /nfs/dbraw/zinc/96/46/70/555964670.db2.gz ARDLDWOMEGEYEI-UHFFFAOYSA-N 1 1 450.539 3.591 50 0 JHAAMO CC[N@@H+](CCCNC(=O)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1)Cc1ccccc1 ZINC000015728126 555967867 /nfs/dbraw/zinc/96/78/67/555967867.db2.gz JQHQMYVIUNXSSO-NRFANRHFSA-N 1 1 452.628 3.574 50 0 JHAAMO COc1ccccc1[C@@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)[NH+](C)C ZINC000012526322 555994806 /nfs/dbraw/zinc/99/48/06/555994806.db2.gz CLGUOWLOHYPJQO-HSZRJFAPSA-N 1 1 467.591 3.837 50 0 JHAAMO CC(=O)Nc1cc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc2ncn(CCc3ccccn3)c21 ZINC000023129692 556018924 /nfs/dbraw/zinc/01/89/24/556018924.db2.gz NWWBZDAOZGCKGW-UHFFFAOYSA-N 1 1 496.615 3.899 50 0 JHAAMO O=C(C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000023143239 556022611 /nfs/dbraw/zinc/02/26/11/556022611.db2.gz DRAYVGCPDSDPFK-UHFFFAOYSA-N 1 1 473.596 3.886 50 0 JHAAMO C[N@H+](CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)Cc1ccccc1N1CCOCC1 ZINC000012558389 556047903 /nfs/dbraw/zinc/04/79/03/556047903.db2.gz SEMUDJCLUZPAMO-NRFANRHFSA-N 1 1 464.635 3.971 50 0 JHAAMO C[N@@H+](CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)Cc1ccccc1N1CCOCC1 ZINC000012558389 556047908 /nfs/dbraw/zinc/04/79/08/556047908.db2.gz SEMUDJCLUZPAMO-NRFANRHFSA-N 1 1 464.635 3.971 50 0 JHAAMO COc1ccc(CCn2cnc3sc4c(c3c2=O)CC[C@@H]([NH+]2CCN(C(C)C)CC2)C4)cc1 ZINC000023362215 556049384 /nfs/dbraw/zinc/04/93/84/556049384.db2.gz RLDOWENKRVLENY-HXUWFJFHSA-N 1 1 466.651 3.593 50 0 JHAAMO CCCCOc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CC[NH+](C)CC4)nn3)cc2)cc1 ZINC000015882185 556055191 /nfs/dbraw/zinc/05/51/91/556055191.db2.gz SCJPKLNGSPQEDH-UHFFFAOYSA-N 1 1 481.622 3.875 50 0 JHAAMO CCn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CC[NH+](C)CC2)c2ccccc21 ZINC000015935540 556073103 /nfs/dbraw/zinc/07/31/03/556073103.db2.gz SVKNYBFRMRKNEN-JWGURIENSA-N 1 1 450.970 3.860 50 0 JHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000023538173 556077124 /nfs/dbraw/zinc/07/71/24/556077124.db2.gz QTPBZKSSDBOEEZ-HSZRJFAPSA-N 1 1 463.622 3.843 50 0 JHAAMO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023958087 556107010 /nfs/dbraw/zinc/10/70/10/556107010.db2.gz KZWUHSHPBDAPCJ-QFIPXVFZSA-N 1 1 478.420 3.896 50 0 JHAAMO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(C)c(Cl)cc3OC)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016010181 556109471 /nfs/dbraw/zinc/10/94/71/556109471.db2.gz LVJWWMCVUALAEJ-PNOLHXSVSA-N 1 1 479.964 3.651 50 0 JHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016013260 556112417 /nfs/dbraw/zinc/11/24/17/556112417.db2.gz WCOYGQCPFOVVDO-DDOIHHOZSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016013260 556112421 /nfs/dbraw/zinc/11/24/21/556112421.db2.gz WCOYGQCPFOVVDO-DDOIHHOZSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016033787 556117977 /nfs/dbraw/zinc/11/79/77/556117977.db2.gz MKODSBVKUGTKGO-DDOIHHOZSA-N 1 1 474.319 3.872 50 0 JHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016033787 556117980 /nfs/dbraw/zinc/11/79/80/556117980.db2.gz MKODSBVKUGTKGO-DDOIHHOZSA-N 1 1 474.319 3.872 50 0 JHAAMO CC[N@@H+]1CCc2nc(NC(=O)c3cccc(S(=O)(=O)N(C)c4ccc(OC)cc4)c3)sc2C1 ZINC000012932083 556148425 /nfs/dbraw/zinc/14/84/25/556148425.db2.gz OQWRDIHSXOPLQL-UHFFFAOYSA-N 1 1 486.619 3.607 50 0 JHAAMO CC[N@H+]1CCc2nc(NC(=O)c3cccc(S(=O)(=O)N(C)c4ccc(OC)cc4)c3)sc2C1 ZINC000012932083 556148426 /nfs/dbraw/zinc/14/84/26/556148426.db2.gz OQWRDIHSXOPLQL-UHFFFAOYSA-N 1 1 486.619 3.607 50 0 JHAAMO CN(C)[C@H](CNC(=O)c1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1)c1ccsc1 ZINC000025332198 556209433 /nfs/dbraw/zinc/20/94/33/556209433.db2.gz QGKZLYLFFUSTCW-FGZHOGPDSA-N 1 1 470.664 3.875 50 0 JHAAMO CCOC(=O)C1CC[NH+]([C@H](c2ccc(Cl)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000017296916 556252172 /nfs/dbraw/zinc/25/21/72/556252172.db2.gz DUKCVBPBGBGUQH-JOCHJYFZSA-N 1 1 462.974 3.527 50 0 JHAAMO CCCOc1ccc(N2C(=O)C[C@@H](NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000018190252 556300838 /nfs/dbraw/zinc/30/08/38/556300838.db2.gz YRSDDZJPNXJACF-XMMPIXPASA-N 1 1 485.028 3.563 50 0 JHAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(OC)cc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000019337263 556342958 /nfs/dbraw/zinc/34/29/58/556342958.db2.gz IJZKSSYWEOXAOE-WIOPSUGQSA-N 1 1 469.601 3.800 50 0 JHAAMO COC(=O)CC[C@H]1CN(Cc2ccc(OC)cc2)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1 ZINC000019337263 556342959 /nfs/dbraw/zinc/34/29/59/556342959.db2.gz IJZKSSYWEOXAOE-WIOPSUGQSA-N 1 1 469.601 3.800 50 0 JHAAMO C[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000019541996 556353383 /nfs/dbraw/zinc/35/33/83/556353383.db2.gz QBISMIQVAHSMCO-MRXNPFEDSA-N 1 1 494.013 3.702 50 0 JHAAMO C[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000019541996 556353387 /nfs/dbraw/zinc/35/33/87/556353387.db2.gz QBISMIQVAHSMCO-MRXNPFEDSA-N 1 1 494.013 3.702 50 0 JHAAMO CCOC(=O)c1c(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)sc2c1CC[C@H](C)C2 ZINC000019792849 556371433 /nfs/dbraw/zinc/37/14/33/556371433.db2.gz JAYBRSSNANUUNH-SFHVURJKSA-N 1 1 455.624 3.806 50 0 JHAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccc4c(c2)OCCO4)CCO3)C1 ZINC000055281769 569591449 /nfs/dbraw/zinc/59/14/49/569591449.db2.gz LUOGLAAMXIHFBW-XMMPIXPASA-N 1 1 493.648 3.933 50 0 JHAAMO C[N@@H+](Cc1nc2c(s1)CCCC2)C1CCN(c2ccc(C(=O)N[C@H]3CCCCNC3=O)cc2)CC1 ZINC000055358723 569591576 /nfs/dbraw/zinc/59/15/76/569591576.db2.gz VVKBEXZXCPBIEL-QHCPKHFHSA-N 1 1 495.693 3.521 50 0 JHAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414710 569600221 /nfs/dbraw/zinc/60/02/21/569600221.db2.gz LBGQPOKEHJWTND-RUZDIDTESA-N 1 1 463.578 3.821 50 0 JHAAMO CCOC(=O)C1C(C[NH+]2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414710 569600222 /nfs/dbraw/zinc/60/02/22/569600222.db2.gz LBGQPOKEHJWTND-RUZDIDTESA-N 1 1 463.578 3.821 50 0 JHAAMO CCN1CC[NH+](CCCNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C2CC2)CC1 ZINC000060092695 569608374 /nfs/dbraw/zinc/60/83/74/569608374.db2.gz HRZOQDFNQHDPJE-UHFFFAOYSA-N 1 1 450.414 3.814 50 0 JHAAMO CCC[NH+]1CCN(C(=O)c2ccc(-c3nc(CCN(C)C(=O)c4ccc(Cl)cc4)no3)cc2)CC1 ZINC000033273475 569621830 /nfs/dbraw/zinc/62/18/30/569621830.db2.gz HBGIMUVJDLRYRM-UHFFFAOYSA-N 1 1 496.011 3.873 50 0 JHAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3c2cc(C)cc3C)c(Br)c1 ZINC000033786641 569635028 /nfs/dbraw/zinc/63/50/28/569635028.db2.gz ZRHMLGJKDVBCGP-PBQROFAYSA-N 1 1 494.389 3.806 50 0 biogenic JHAAMO CCn1c2c(C(=O)NCCc3ccc(Cl)cc3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835996 569636729 /nfs/dbraw/zinc/63/67/29/569636729.db2.gz PWYSDTRBOKMTCM-UHFFFAOYSA-N 1 1 490.007 3.700 50 0 JHAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000033905377 569637221 /nfs/dbraw/zinc/63/72/21/569637221.db2.gz KEQYJSODVIVFTK-FVJVTNMWSA-N 1 1 469.463 3.753 50 0 JHAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)cc4)n2)CN(C(=O)c2ccc(F)cc2F)CC3)CC1 ZINC000034676658 569641627 /nfs/dbraw/zinc/64/16/27/569641627.db2.gz UIYCIDLHSMEAKX-UHFFFAOYSA-N 1 1 483.494 3.637 50 0 JHAAMO CC(C)COC[C@@H](O)C[N@H+]1CCCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000034682284 569643746 /nfs/dbraw/zinc/64/37/46/569643746.db2.gz XLIDQGYGEIKLFV-QFIPXVFZSA-N 1 1 494.558 3.898 50 0 JHAAMO O=S(=O)(c1ccc(F)cc1)N(c1ccc2c(c1)OCO2)C1CC[NH+](Cc2cccnc2)CC1 ZINC000034683983 569644821 /nfs/dbraw/zinc/64/48/21/569644821.db2.gz LRCZFRZVEUHTCN-UHFFFAOYSA-N 1 1 469.538 3.809 50 0 JHAAMO Cc1cccc([C@@H]2C[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CN(C(=O)NC(C)C)C2)c1 ZINC000034710956 569650786 /nfs/dbraw/zinc/65/07/86/569650786.db2.gz ABJUUFKESXROPK-FTJBHMTQSA-N 1 1 462.638 3.863 50 0 JHAAMO Cc1noc2nc(CCC(=O)NCCC[N@H+]3CCc4ccccc4C3)nc(N3CCC(C)CC3)c12 ZINC000065056437 569654053 /nfs/dbraw/zinc/65/40/53/569654053.db2.gz WURJRGNXHOCDJT-UHFFFAOYSA-N 1 1 476.625 3.660 50 0 JHAAMO COc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(Cc2ccc(C)cc2)CC3)c1 ZINC000034755568 569655836 /nfs/dbraw/zinc/65/58/36/569655836.db2.gz MWRWAIHZEUUKJZ-UHFFFAOYSA-N 1 1 459.594 3.896 50 0 JHAAMO C[NH+]1CCN(c2nc3c(c(Oc4cccc(F)c4)n2)CN(C(=O)Nc2ccccc2)CC3)CC1 ZINC000034757060 569656670 /nfs/dbraw/zinc/65/66/70/569656670.db2.gz JAEVRRFXSGMEES-UHFFFAOYSA-N 1 1 462.529 3.750 50 0 JHAAMO COc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccc(F)cc2F)CC3)c1 ZINC000034758636 569657376 /nfs/dbraw/zinc/65/73/76/569657376.db2.gz QJAFJWKLTKARKU-UHFFFAOYSA-N 1 1 495.530 3.506 50 0 JHAAMO Cc1cc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccccc2)CC3)ccc1F ZINC000034758550 569657387 /nfs/dbraw/zinc/65/73/87/569657387.db2.gz JUHJJDACSOHMOK-UHFFFAOYSA-N 1 1 461.541 3.667 50 0 JHAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000034829983 569663563 /nfs/dbraw/zinc/66/35/63/569663563.db2.gz UFPWEYKBJUVCDC-FNZWTVRRSA-N 1 1 495.670 3.617 50 0 JHAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000034829983 569663565 /nfs/dbraw/zinc/66/35/65/569663565.db2.gz UFPWEYKBJUVCDC-FNZWTVRRSA-N 1 1 495.670 3.617 50 0 JHAAMO COc1cccc(C(=O)[C@H]2[C@@]3(c4ccccc4NC3=O)[C@@H]3CCC[N@H+]3[C@]23c2ccccc2NC3=O)c1 ZINC000035361888 569682309 /nfs/dbraw/zinc/68/23/09/569682309.db2.gz GFNCIAGJGYGJSS-OMUKXZKBSA-N 1 1 479.536 3.710 50 0 biogenic JHAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1cc(C)cc2Cl ZINC000035374475 569684196 /nfs/dbraw/zinc/68/41/96/569684196.db2.gz GSFANYPYYXBRJU-UNKHORCTSA-N 1 1 486.355 3.742 50 0 JHAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1cc(C)cc2Cl ZINC000035374475 569684197 /nfs/dbraw/zinc/68/41/97/569684197.db2.gz GSFANYPYYXBRJU-UNKHORCTSA-N 1 1 486.355 3.742 50 0 JHAAMO CCOC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286971 569684404 /nfs/dbraw/zinc/68/44/04/569684404.db2.gz KOYBCBBXWLWGPQ-QHCPKHFHSA-N 1 1 472.655 3.530 50 0 JHAAMO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1ccc(C(=O)NC2c3ccccc3-c3ccccc32)c(=O)[nH]1 ZINC000067696031 569690924 /nfs/dbraw/zinc/69/09/24/569690924.db2.gz ZKBRUSYWAXWQPN-UHFFFAOYSA-N 1 1 453.546 3.847 50 0 JHAAMO Cc1n[nH]c(C)c1C[N@H+](C)Cc1ccc(C(=O)NC2c3ccccc3-c3ccccc32)c(=O)[nH]1 ZINC000067696031 569690925 /nfs/dbraw/zinc/69/09/25/569690925.db2.gz ZKBRUSYWAXWQPN-UHFFFAOYSA-N 1 1 453.546 3.847 50 0 JHAAMO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)N4CCN(c5ccccc5F)CC4)CC3)cn2)cc1 ZINC000035403730 569691304 /nfs/dbraw/zinc/69/13/04/569691304.db2.gz SZNGCSZMTZUWLK-UHFFFAOYSA-N 1 1 459.569 3.758 50 0 JHAAMO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)N4CCN(c5ccccc5F)CC4)CC3)cn2)cc1 ZINC000035403730 569691305 /nfs/dbraw/zinc/69/13/05/569691305.db2.gz SZNGCSZMTZUWLK-UHFFFAOYSA-N 1 1 459.569 3.758 50 0 JHAAMO C[N@@H+](CCCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1)C1CCCCC1 ZINC000035423406 569692979 /nfs/dbraw/zinc/69/29/79/569692979.db2.gz HGXAMEUHUQWUBY-UHFFFAOYSA-N 1 1 461.566 3.675 50 0 JHAAMO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(C)c1 ZINC000078732876 569706516 /nfs/dbraw/zinc/70/65/16/569706516.db2.gz GOPBTGJBGTUFMB-FQEVSTJZSA-N 1 1 479.556 3.735 50 0 JHAAMO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(C)c1 ZINC000078732876 569706518 /nfs/dbraw/zinc/70/65/18/569706518.db2.gz GOPBTGJBGTUFMB-FQEVSTJZSA-N 1 1 479.556 3.735 50 0 JHAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000095100966 569721626 /nfs/dbraw/zinc/72/16/26/569721626.db2.gz HOHJVODZFIUPPZ-XMMPIXPASA-N 1 1 451.542 3.952 50 0 JHAAMO CCOC(=O)C1C(C[NH+]2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000095100966 569721627 /nfs/dbraw/zinc/72/16/27/569721627.db2.gz HOHJVODZFIUPPZ-XMMPIXPASA-N 1 1 451.542 3.952 50 0 JHAAMO COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ccc(OC)c(OC)c2)cc1 ZINC000036031028 569751861 /nfs/dbraw/zinc/75/18/61/569751861.db2.gz NEMUYGCVDPNCIJ-OAQYLSRUSA-N 1 1 481.545 3.883 50 0 JHAAMO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(Nc4ccc(OC(F)(F)F)cc4)CC3)C2=O)cc1 ZINC000100215087 569755599 /nfs/dbraw/zinc/75/55/99/569755599.db2.gz QYDFYLLAVQIKAX-FQEVSTJZSA-N 1 1 463.456 3.802 50 0 JHAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1-c1cc(=O)[nH]c(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000036235639 569757631 /nfs/dbraw/zinc/75/76/31/569757631.db2.gz KCRSLAZNGSIDTA-UHFFFAOYSA-N 1 1 469.549 3.823 50 0 JHAAMO Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2cccc(F)c2)CC1 ZINC000036340175 569763832 /nfs/dbraw/zinc/76/38/32/569763832.db2.gz BXKYTBJWQKZVTD-DEOSSOPVSA-N 1 1 464.585 3.694 50 0 JHAAMO COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c(OC)c1 ZINC000036342480 569765727 /nfs/dbraw/zinc/76/57/27/569765727.db2.gz UUUCOXVUMUZVLZ-DEOSSOPVSA-N 1 1 479.577 3.529 50 0 JHAAMO CCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000036342546 569765876 /nfs/dbraw/zinc/76/58/76/569765876.db2.gz VPRCVVMTLJBGEW-DEOSSOPVSA-N 1 1 467.541 3.741 50 0 JHAAMO COc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c(OC)c1 ZINC000036342597 569765880 /nfs/dbraw/zinc/76/58/80/569765880.db2.gz RCZUZLZCEGQBSX-RUZDIDTESA-N 1 1 493.604 3.837 50 0 JHAAMO COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000036342897 569766178 /nfs/dbraw/zinc/76/61/78/569766178.db2.gz VOTNZHAPHIUGEV-VWLOTQADSA-N 1 1 463.578 3.829 50 0 JHAAMO COc1ccc(-c2nc3ccccc3c(N(CCC[NH+]3CCOCC3)CCC(=O)NC3CC3)n2)cc1 ZINC000037263822 569781962 /nfs/dbraw/zinc/78/19/62/569781962.db2.gz ZIOOPXWWZGJOEH-UHFFFAOYSA-N 1 1 489.620 3.503 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccccc2Cn2c(C)c(C)s/c2=N\C(=O)c2cccc(OC)c2)CC1 ZINC000037428242 569789795 /nfs/dbraw/zinc/78/97/95/569789795.db2.gz BCHVETCEUSQCML-DQSJHHFOSA-N 1 1 492.645 3.742 50 0 JHAAMO Cc1cc(N2C[C@H](C(=O)N3CCC(C[N@H+](C)C(C)C)CC3)CC2=O)ccc1Br ZINC000039563767 569810778 /nfs/dbraw/zinc/81/07/78/569810778.db2.gz CNJLZGHOOUMURJ-GOSISDBHSA-N 1 1 450.421 3.689 50 0 JHAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)n2)C1 ZINC000040086846 569815807 /nfs/dbraw/zinc/81/58/07/569815807.db2.gz RDHKJBCFTJBYIX-OALUTQOASA-N 1 1 470.639 3.877 50 0 JHAAMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)n(-c2ccccc2)n1 ZINC000040149605 569819264 /nfs/dbraw/zinc/81/92/64/569819264.db2.gz UNOUQOICVFFHQZ-KRWDZBQOSA-N 1 1 497.397 3.627 50 0 JHAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)n(-c2ccccc2)n1 ZINC000040149605 569819265 /nfs/dbraw/zinc/81/92/65/569819265.db2.gz UNOUQOICVFFHQZ-KRWDZBQOSA-N 1 1 497.397 3.627 50 0 JHAAMO CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4C)nc3)cc2)cc1 ZINC000040150102 569819566 /nfs/dbraw/zinc/81/95/66/569819566.db2.gz QTZHXMHRYVTWRR-UHFFFAOYSA-N 1 1 489.557 3.509 50 0 JHAAMO C[C@H](c1ccc(Cl)cc1)[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 ZINC000040155731 569821035 /nfs/dbraw/zinc/82/10/35/569821035.db2.gz CBULTXPLSSSSSB-QGZVFWFLSA-N 1 1 478.014 3.525 50 0 JHAAMO C[C@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 ZINC000040155731 569821037 /nfs/dbraw/zinc/82/10/37/569821037.db2.gz CBULTXPLSSSSSB-QGZVFWFLSA-N 1 1 478.014 3.525 50 0 JHAAMO COc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@H]32)cc1S(=O)(=O)NC1CCCC1 ZINC000103299757 569834568 /nfs/dbraw/zinc/83/45/68/569834568.db2.gz WLNCQOMVAZBOMU-JTHBVZDNSA-N 1 1 483.634 3.673 50 0 JHAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000049574760 569848893 /nfs/dbraw/zinc/84/88/93/569848893.db2.gz GZTPSNIABKRAEH-ABVOBTCJSA-N 1 1 485.650 3.917 50 0 JHAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000049574760 569848895 /nfs/dbraw/zinc/84/88/95/569848895.db2.gz GZTPSNIABKRAEH-ABVOBTCJSA-N 1 1 485.650 3.917 50 0 JHAAMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H]1C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]31)[C@H](C)C2 ZINC000105371793 569852985 /nfs/dbraw/zinc/85/29/85/569852985.db2.gz HEAXKDZPAXOEMH-IVZAMRJGSA-N 1 1 455.595 3.735 50 0 biogenic JHAAMO Cc1noc2nc(CCC(=O)NCCC[N@H+]3CCc4ccccc4C3)nc(N3C[C@H](C)C[C@@H](C)C3)c12 ZINC000106375438 569854158 /nfs/dbraw/zinc/85/41/58/569854158.db2.gz GWHRLDRXURZVQH-WOJBJXKFSA-N 1 1 490.652 3.906 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000106535323 569854271 /nfs/dbraw/zinc/85/42/71/569854271.db2.gz NVXIQRPWPCLIEH-LMMUWCHVSA-N 1 1 457.917 3.924 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000106535323 569854272 /nfs/dbraw/zinc/85/42/72/569854272.db2.gz NVXIQRPWPCLIEH-LMMUWCHVSA-N 1 1 457.917 3.924 50 0 JHAAMO COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@@H]1[C@@H](C(=O)NCC[NH+]1CCCCC1)C2 ZINC000169679418 569869689 /nfs/dbraw/zinc/86/96/89/569869689.db2.gz BXPSRSXZHBZHGX-AHKZPQOWSA-N 1 1 497.083 3.814 50 0 JHAAMO COc1ccccc1CCNC(=O)[C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169681635 569870840 /nfs/dbraw/zinc/87/08/40/569870840.db2.gz HAVGVGQSESOEKU-BDYUSTAISA-N 1 1 455.602 3.917 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000227300446 570040372 /nfs/dbraw/zinc/04/03/72/570040372.db2.gz GULCWEGUJSEAEC-FBAVSBLXSA-N 1 1 460.292 3.564 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000227300446 570040374 /nfs/dbraw/zinc/04/03/74/570040374.db2.gz GULCWEGUJSEAEC-FBAVSBLXSA-N 1 1 460.292 3.564 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@@]12[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229899178 570041919 /nfs/dbraw/zinc/04/19/19/570041919.db2.gz HXWFCGOGBAZVCZ-GQNXPXPTSA-N 1 1 457.917 3.924 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@@]12[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229899178 570041920 /nfs/dbraw/zinc/04/19/20/570041920.db2.gz HXWFCGOGBAZVCZ-GQNXPXPTSA-N 1 1 457.917 3.924 50 0 JHAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1ccc(C)c2C ZINC000230200537 570046035 /nfs/dbraw/zinc/04/60/35/570046035.db2.gz YWKFYZTUKJPRKV-LIYOMKHYSA-N 1 1 479.964 3.705 50 0 JHAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000239338793 570050933 /nfs/dbraw/zinc/05/09/33/570050933.db2.gz LGFPJEZXHKNMDN-FYYLOGMGSA-N 1 1 472.566 3.820 50 0 JHAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000239338793 570050934 /nfs/dbraw/zinc/05/09/34/570050934.db2.gz LGFPJEZXHKNMDN-FYYLOGMGSA-N 1 1 472.566 3.820 50 0 JHAAMO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(C)c(Cl)cc3OC)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245246440 570059225 /nfs/dbraw/zinc/05/92/25/570059225.db2.gz LVJWWMCVUALAEJ-JVDWHEDZSA-N 1 1 479.964 3.651 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000245311053 570063421 /nfs/dbraw/zinc/06/34/21/570063421.db2.gz LYIVDCCDLKARIB-NGSHPTGOSA-N 1 1 471.557 3.977 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000245311053 570063422 /nfs/dbraw/zinc/06/34/22/570063422.db2.gz LYIVDCCDLKARIB-NGSHPTGOSA-N 1 1 471.557 3.977 50 0 JHAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COC ZINC000245326540 570064766 /nfs/dbraw/zinc/06/47/66/570064766.db2.gz FVRKSQDKSSGVFF-NZQKXSOJSA-N 1 1 460.640 3.706 50 0 JHAAMO CC[N@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@H]2C1 ZINC000245326847 570064793 /nfs/dbraw/zinc/06/47/93/570064793.db2.gz MEKLBGGNMFECRK-PXDATVDWSA-N 1 1 466.969 3.554 50 0 JHAAMO CCC[C@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000245326544 570064971 /nfs/dbraw/zinc/06/49/71/570064971.db2.gz FZCWRTHGQAJSSU-NZQKXSOJSA-N 1 1 478.630 3.892 50 0 JHAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245328578 570065842 /nfs/dbraw/zinc/06/58/42/570065842.db2.gz VJQHKCKUOBNWGP-AZXNSQLWSA-N 1 1 469.463 3.699 50 0 JHAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)C1CCCC1 ZINC000245328820 570065989 /nfs/dbraw/zinc/06/59/89/570065989.db2.gz PXAQKJBWOMACTK-UQBPGWFLSA-N 1 1 451.636 3.945 50 0 JHAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)C1CCCC1 ZINC000245328820 570065991 /nfs/dbraw/zinc/06/59/91/570065991.db2.gz PXAQKJBWOMACTK-UQBPGWFLSA-N 1 1 451.636 3.945 50 0 JHAAMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccccc3C[N@H+]3CCCC[C@H]3C)c2)C[C@@H](C)O1 ZINC000248102721 570074073 /nfs/dbraw/zinc/07/40/73/570074073.db2.gz ODSQAJJGJCYUEA-YPAWHYETSA-N 1 1 499.677 3.789 50 0 JHAAMO COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(c5ccccc5N(Cc5ccccc5)C4=O)[C@H]3C2=O)cc1 ZINC000248116764 570074355 /nfs/dbraw/zinc/07/43/55/570074355.db2.gz BTOBZXHDANZKDV-HNRABGRISA-N 1 1 493.563 3.721 50 0 JHAAMO Cc1ccc(C(=O)N2CCN([C@H](C(=O)NCCC[N@@H+]3CCCC[C@H]3C)C3CCCC3)CC2)cc1 ZINC000248171306 570076015 /nfs/dbraw/zinc/07/60/15/570076015.db2.gz WEODNKSSRYCEDO-BVAGGSTKSA-N 1 1 468.686 3.692 50 0 JHAAMO COC[C@@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000248291706 570077424 /nfs/dbraw/zinc/07/74/24/570077424.db2.gz UFFGGAIKBSWMFD-NZQKXSOJSA-N 1 1 478.630 3.747 50 0 JHAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248336141 570077886 /nfs/dbraw/zinc/07/78/86/570077886.db2.gz NZYCMCCCVXKSJG-YFUNBVQMSA-N 1 1 451.526 3.888 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000252517572 570082916 /nfs/dbraw/zinc/08/29/16/570082916.db2.gz 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STDCQTGISWTTRR-JOCHJYFZSA-N 1 1 459.612 3.801 50 0 JHAAMO Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NC[C@H](C(C)C)[NH+]4CCOCC4)cc3)ccc12 ZINC000012769714 195116676 /nfs/dbraw/zinc/11/66/76/195116676.db2.gz RYSKMAKSQMEPOD-XMMPIXPASA-N 1 1 464.562 3.767 50 0 JHAAMO Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NC[C@@H](C(C)C)[NH+]4CCOCC4)cc3)ccc12 ZINC000012769716 195116586 /nfs/dbraw/zinc/11/65/86/195116586.db2.gz RYSKMAKSQMEPOD-DEOSSOPVSA-N 1 1 464.562 3.767 50 0 JHAAMO COc1ccc([C@@H]([NH2+]CC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 ZINC000012771162 195117763 /nfs/dbraw/zinc/11/77/63/195117763.db2.gz IRGHQJJHKQQCRZ-BVAGGSTKSA-N 1 1 464.587 3.595 50 0 JHAAMO CCn1c(=O)c2c3c(sc2nc1SCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)CCCC3 ZINC000012808364 195143145 /nfs/dbraw/zinc/14/31/45/195143145.db2.gz MCPQGSPVKCGNSL-SFHVURJKSA-N 1 1 482.675 3.840 50 0 JHAAMO Cc1cc(I)ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000012886347 195170549 /nfs/dbraw/zinc/17/05/49/195170549.db2.gz QOLZJZDDZRDMDB-HNNXBMFYSA-N 1 1 475.334 3.812 50 0 JHAAMO Cc1cc(I)ccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000012886347 195170551 /nfs/dbraw/zinc/17/05/51/195170551.db2.gz QOLZJZDDZRDMDB-HNNXBMFYSA-N 1 1 475.334 3.812 50 0 JHAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(Sc3ccc(C)cc3)c(NC(C)=O)c2)CC1 ZINC000020683745 195204269 /nfs/dbraw/zinc/20/42/69/195204269.db2.gz QQCQBQZUGFLJIQ-UHFFFAOYSA-N 1 1 454.640 3.862 50 0 JHAAMO COC(=O)c1c(OC[C@@H]2CCCCO2)cc(=O)n2c1CC[N@H+](Cc1ccccc1C(F)(F)F)CC2 ZINC000020778020 195224198 /nfs/dbraw/zinc/22/41/98/195224198.db2.gz LBGJSUPOYNDCFG-SFHVURJKSA-N 1 1 494.510 3.660 50 0 JHAAMO COC(=O)c1c(OC[C@@H]2CCCCO2)cc(=O)n2c1CC[N@@H+](Cc1ccccc1C(F)(F)F)CC2 ZINC000020778020 195224200 /nfs/dbraw/zinc/22/42/00/195224200.db2.gz LBGJSUPOYNDCFG-SFHVURJKSA-N 1 1 494.510 3.660 50 0 JHAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000021063132 195273607 /nfs/dbraw/zinc/27/36/07/195273607.db2.gz RGCNBGSOFQBYLB-IYBDPMFKSA-N 1 1 498.020 3.898 50 0 JHAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000021063132 195273610 /nfs/dbraw/zinc/27/36/10/195273610.db2.gz RGCNBGSOFQBYLB-IYBDPMFKSA-N 1 1 498.020 3.898 50 0 JHAAMO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)N[C@H]4CCS(=O)(=O)C4)CC3)cc3ccccc32)cc1 ZINC000021116310 195278836 /nfs/dbraw/zinc/27/88/36/195278836.db2.gz COIHHHMWFIAQTA-DEOSSOPVSA-N 1 1 479.646 3.513 50 0 JHAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nc(Nc3ccc4c(c3)OCCO4)ncc2C1 ZINC000021261962 195292324 /nfs/dbraw/zinc/29/23/24/195292324.db2.gz VYCAYPFFEMGTSH-UHFFFAOYSA-N 1 1 464.522 3.576 50 0 JHAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2nc(Nc3ccc4c(c3)OCCO4)ncc2C1 ZINC000021261962 195292326 /nfs/dbraw/zinc/29/23/26/195292326.db2.gz VYCAYPFFEMGTSH-UHFFFAOYSA-N 1 1 464.522 3.576 50 0 JHAAMO C[N@@H+](CCCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1)Cc1ccccc1 ZINC000021527864 195306228 /nfs/dbraw/zinc/30/62/28/195306228.db2.gz HLEJKYSDWCCHHX-UHFFFAOYSA-N 1 1 479.584 3.949 50 0 JHAAMO CCn1c(C[N@@H+](C)[C@@H]2CCCc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000058170550 195370849 /nfs/dbraw/zinc/37/08/49/195370849.db2.gz ZHDXFQOIIIIPLP-HSZRJFAPSA-N 1 1 468.623 3.587 50 0 JHAAMO CC(C)NC(=O)c1ccc(CSc2nc(N3CC[NH+](C)CC3)cc(C(F)(F)F)n2)cc1 ZINC000036045204 519716659 /nfs/dbraw/zinc/71/66/59/519716659.db2.gz NTHXHPOUYHIBCR-UHFFFAOYSA-N 1 1 453.534 3.678 50 0 JHAAMO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCOCC2)[C@@H]1c1cccs1 ZINC000020508316 519719811 /nfs/dbraw/zinc/71/98/11/519719811.db2.gz UBUBZWKRJXFDIX-PKTZIBPZSA-N 1 1 455.624 3.523 50 0 JHAAMO CC(C)CNC(=O)c1ccc(CSc2nc(N3CC[NH+](C)CC3)cc(C(F)(F)F)n2)cc1 ZINC000036045202 519741555 /nfs/dbraw/zinc/74/15/55/519741555.db2.gz GAYDLVMFIIJKTE-UHFFFAOYSA-N 1 1 467.561 3.925 50 0 JHAAMO CC(C)OC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)C ZINC000036309752 519771707 /nfs/dbraw/zinc/77/17/07/519771707.db2.gz OTQOSJTWWMLCFU-REWPJTCUSA-N 1 1 478.630 3.888 50 0 JHAAMO CC(C)OC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)CC1CC1 ZINC000036309199 519773726 /nfs/dbraw/zinc/77/37/26/519773726.db2.gz YNLHMMLJEMIRJG-OFNKIYASSA-N 1 1 490.641 3.890 50 0 JHAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146157 519773965 /nfs/dbraw/zinc/77/39/65/519773965.db2.gz KEEMXKDPOHMTFI-UXHICEINSA-N 1 1 460.958 3.850 50 0 JHAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146157 519773966 /nfs/dbraw/zinc/77/39/66/519773966.db2.gz KEEMXKDPOHMTFI-UXHICEINSA-N 1 1 460.958 3.850 50 0 JHAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036305352 520151304 /nfs/dbraw/zinc/15/13/04/520151304.db2.gz XXFIIDFVCFYITP-OAQYLSRUSA-N 1 1 469.582 3.734 50 0 JHAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COC ZINC000036308893 520318190 /nfs/dbraw/zinc/31/81/90/520318190.db2.gz FVRKSQDKSSGVFF-REWPJTCUSA-N 1 1 460.640 3.706 50 0 JHAAMO CCCOc1ccc(Br)cc1[C@H]1NC(=[NH2+])Nc2nc3cc4c(cc3n21)OCCCO4 ZINC000012507759 520325042 /nfs/dbraw/zinc/32/50/42/520325042.db2.gz FWYHMLLXSOTZMK-IBGZPJMESA-N 1 1 472.343 3.845 50 0 JHAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccccc1F ZINC000004799418 520475230 /nfs/dbraw/zinc/47/52/30/520475230.db2.gz JLVZUIGSUBGHGT-LOSJGSFVSA-N 1 1 485.600 3.992 50 0 JHAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](c3ccccc3)C2)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000036092196 520512366 /nfs/dbraw/zinc/51/23/66/520512366.db2.gz PTXVGSUXINJWCF-CYFREDJKSA-N 1 1 479.577 3.755 50 0 JHAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](c3ccccc3)C2)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000036092196 520512376 /nfs/dbraw/zinc/51/23/76/520512376.db2.gz PTXVGSUXINJWCF-CYFREDJKSA-N 1 1 479.577 3.755 50 0 JHAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccc(C(=O)OC)cc2)CCO3)C1 ZINC000014992756 520526061 /nfs/dbraw/zinc/52/60/61/520526061.db2.gz VTQIDNVPEJRDGH-RUZDIDTESA-N 1 1 493.648 3.948 50 0 JHAAMO CCCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(Br)cc3)[nH]c(=O)c2C1 ZINC000020467811 520597530 /nfs/dbraw/zinc/59/75/30/520597530.db2.gz BXPKGWRUGUKEFS-UHFFFAOYSA-N 1 1 451.390 3.834 50 0 JHAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCN(c4nc5cccnc5s4)C3)cc2)CC1 ZINC000033045229 521687922 /nfs/dbraw/zinc/68/79/22/521687922.db2.gz RLKJQASXGISNSP-HXUWFJFHSA-N 1 1 464.639 3.684 50 0 JHAAMO CCc1ccccc1O[C@H]1C(=O)N(CCCC[NH+]2CCOCC2)[C@H]1c1cc(OC)ccc1OC ZINC000048237311 521924109 /nfs/dbraw/zinc/92/41/09/521924109.db2.gz ICJLJAQZPGMOQV-IZZNHLLZSA-N 1 1 468.594 3.710 50 0 JHAAMO COCCn1c(C)cc(O)c([C@H](c2ccc(C)cc2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022697756 522064797 /nfs/dbraw/zinc/06/47/97/522064797.db2.gz BCUUXMJWOJYJQF-SANMLTNESA-N 1 1 465.569 3.868 50 0 JHAAMO COCCn1c(C)cc(O)c([C@@H](c2cccc(F)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697719 522065508 /nfs/dbraw/zinc/06/55/08/522065508.db2.gz IZVQWBJFLJHGCV-RUZDIDTESA-N 1 1 469.532 3.699 50 0 JHAAMO COc1cc(C)c(CN2CCN(C(=O)C[N@H+](C)Cc3ccc(C(F)(F)F)cc3)CC2)cc1OC ZINC000016378566 522190357 /nfs/dbraw/zinc/19/03/57/522190357.db2.gz GJWQFJWEHNQLEX-UHFFFAOYSA-N 1 1 479.543 3.807 50 0 JHAAMO COc1cc(C)c(CN2CCN(C(=O)C[N@@H+](C)Cc3ccc(C(F)(F)F)cc3)CC2)cc1OC ZINC000016378566 522190365 /nfs/dbraw/zinc/19/03/65/522190365.db2.gz GJWQFJWEHNQLEX-UHFFFAOYSA-N 1 1 479.543 3.807 50 0 JHAAMO CC[C@@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000004762772 522371985 /nfs/dbraw/zinc/37/19/85/522371985.db2.gz INDJOAMIQUHIKA-JSXIUCTPSA-N 1 1 474.665 3.811 50 0 JHAAMO COc1cc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccccc3F)C4=O)CC2)cc(OC)c1 ZINC000014994338 522386462 /nfs/dbraw/zinc/38/64/62/522386462.db2.gz OYXZRECXRUSWRP-UHFFFAOYSA-N 1 1 489.547 3.961 50 0 JHAAMO COc1ccc(-c2cc(C[NH2+]CC3=NO[C@H](Cc4cc5c(c(OC)c4OC)OCO5)C3)on2)cc1 ZINC000012371028 523109543 /nfs/dbraw/zinc/10/95/43/523109543.db2.gz HZFMUMSWZXBMMM-LJQANCHMSA-N 1 1 481.505 3.573 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000035459811 523168033 /nfs/dbraw/zinc/16/80/33/523168033.db2.gz LRGIGBSTTYMQCT-GOSISDBHSA-N 1 1 476.108 3.963 50 0 JHAAMO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN1CC[NH+](Cc2cccs2)CC1 ZINC000022793963 523266672 /nfs/dbraw/zinc/26/66/72/523266672.db2.gz JGXJLYDPCSFWNA-UHFFFAOYSA-N 1 1 487.695 3.610 50 0 JHAAMO COCCC[N@@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C[C@@H](O)COC(C)(C)C ZINC000036205527 523269131 /nfs/dbraw/zinc/26/91/31/523269131.db2.gz ZDQJYKUSOSTVDM-GOSISDBHSA-N 1 1 459.612 3.666 50 0 JHAAMO COCCC[N@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C[C@@H](O)COC(C)(C)C ZINC000036205527 523269143 /nfs/dbraw/zinc/26/91/43/523269143.db2.gz ZDQJYKUSOSTVDM-GOSISDBHSA-N 1 1 459.612 3.666 50 0 JHAAMO Cn1cc(C[N@H+](C)Cc2cccc(OC[C@H]3CCCN(C(=O)Cc4ccsc4)C3)c2)cn1 ZINC000014993663 523515874 /nfs/dbraw/zinc/51/58/74/523515874.db2.gz NOTAUEKZLGPJHP-QFIPXVFZSA-N 1 1 452.624 3.974 50 0 JHAAMO Cn1cc(C[N@@H+](C)Cc2cccc(OC[C@H]3CCCN(C(=O)Cc4ccsc4)C3)c2)cn1 ZINC000014993663 523515880 /nfs/dbraw/zinc/51/58/80/523515880.db2.gz NOTAUEKZLGPJHP-QFIPXVFZSA-N 1 1 452.624 3.974 50 0 JHAAMO COc1ccc(C)cc1NC(=O)N1CC[NH+](CCn2c(-c3ccncc3)nc3cccnc32)CC1 ZINC000033139794 523832062 /nfs/dbraw/zinc/83/20/62/523832062.db2.gz BXXYPAWCEKMZHR-UHFFFAOYSA-N 1 1 471.565 3.660 50 0 JHAAMO CCc1ccc(N(C(C)=O)c2nc(CN3CCC[N@H+](CC(=O)NC(C)(C)C)CC3)cs2)cc1 ZINC000022800025 523956363 /nfs/dbraw/zinc/95/63/63/523956363.db2.gz JLSSRAXDRSYZKG-UHFFFAOYSA-N 1 1 471.671 3.813 50 0 JHAAMO CCc1ccc(N(C(C)=O)c2nc(CN3CCC[N@@H+](CC(=O)NC(C)(C)C)CC3)cs2)cc1 ZINC000022800025 523956368 /nfs/dbraw/zinc/95/63/68/523956368.db2.gz JLSSRAXDRSYZKG-UHFFFAOYSA-N 1 1 471.671 3.813 50 0 JHAAMO CCc1ccc(S(=O)(=O)N2CCN(c3nc(Nc4ccc(OC)cc4)cc(C)[nH+]3)CC2)cc1 ZINC000022698402 524012576 /nfs/dbraw/zinc/01/25/76/524012576.db2.gz YLHCBNDNKXDVBH-UHFFFAOYSA-N 1 1 467.595 3.611 50 0 JHAAMO COc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N([C@H](C)c3nccs3)C4=O)CC2)cc1 ZINC000012244675 524034170 /nfs/dbraw/zinc/03/41/70/524034170.db2.gz IQWKALDVXUDWHQ-QGZVFWFLSA-N 1 1 462.575 3.831 50 0 JHAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)C1 ZINC000033131374 524088089 /nfs/dbraw/zinc/08/80/89/524088089.db2.gz TZNYXPUXTWWCQR-SFHVURJKSA-N 1 1 456.052 3.757 50 0 JHAAMO COc1cccc([C@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000022698064 524168844 /nfs/dbraw/zinc/16/88/44/524168844.db2.gz LOADSIXSNJDKJF-MUUNZHRXSA-N 1 1 497.599 3.621 50 0 JHAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000033062181 524222377 /nfs/dbraw/zinc/22/23/77/524222377.db2.gz AHPKWUYPELCWKX-OAHLLOKOSA-N 1 1 450.008 3.615 50 0 JHAAMO Cc1ccccc1-c1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1 ZINC000014981098 525003356 /nfs/dbraw/zinc/00/33/56/525003356.db2.gz WJDAKOXKBBQKFE-UHFFFAOYSA-N 1 1 455.562 3.877 50 0 JHAAMO COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N[C@H]4CC[N@@H+](Cc5ccccc5)C4)c3C)ncc1CC2 ZINC000014961098 525505471 /nfs/dbraw/zinc/50/54/71/525505471.db2.gz IDNBSTLWNUGPSN-QHCPKHFHSA-N 1 1 494.599 3.749 50 0 JHAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)NCc2ccco2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456390 525820548 /nfs/dbraw/zinc/82/05/48/525820548.db2.gz WSPRMEJQZLEBEB-UHFFFAOYSA-N 1 1 468.557 3.686 50 0 JHAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)NCc2ccco2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456390 525820553 /nfs/dbraw/zinc/82/05/53/525820553.db2.gz WSPRMEJQZLEBEB-UHFFFAOYSA-N 1 1 468.557 3.686 50 0 JHAAMO COc1cccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccco2)c1OC ZINC000036103726 525923955 /nfs/dbraw/zinc/92/39/55/525923955.db2.gz NXIMVWCGDISZGK-FQEVSTJZSA-N 1 1 455.507 3.605 50 0 JHAAMO COc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccco2)c1OC ZINC000036103726 525923961 /nfs/dbraw/zinc/92/39/61/525923961.db2.gz NXIMVWCGDISZGK-FQEVSTJZSA-N 1 1 455.507 3.605 50 0 JHAAMO Cc1cc(=O)c(C(=O)N[C@@H](C)c2nccs2)c(Cc2cccc(F)c2)n1CCC[NH+]1CCOCC1 ZINC000014995572 526130716 /nfs/dbraw/zinc/13/07/16/526130716.db2.gz STDOLTBIMNFBQA-IBGZPJMESA-N 1 1 498.624 3.556 50 0 JHAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CSc1nnc2c3ccccc3n(C)c2n1 ZINC000012462575 526213701 /nfs/dbraw/zinc/21/37/01/526213701.db2.gz DFYVCPBYRSUYRV-NQIIRXRSSA-N 1 1 458.591 3.752 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000036311041 526248015 /nfs/dbraw/zinc/24/80/15/526248015.db2.gz VHQBMUYRVVWCNV-WIOPSUGQSA-N 1 1 469.674 3.776 50 0 JHAAMO O=C([C@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035513190 526538891 /nfs/dbraw/zinc/53/88/91/526538891.db2.gz RXAOGRCFCGJCMF-QHCPKHFHSA-N 1 1 459.569 3.844 50 0 JHAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 ZINC000012331351 527047421 /nfs/dbraw/zinc/04/74/21/527047421.db2.gz YOXSGYLKGJSZAH-FQEVSTJZSA-N 1 1 454.534 3.804 50 0 JHAAMO Cc1nn(-c2ccc(-c3ccc(C)c(C)c3)nn2)c(C)c1S(=O)(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000033308202 527519321 /nfs/dbraw/zinc/51/93/21/527519321.db2.gz JZDMURFKUBHGCC-LJQANCHMSA-N 1 1 482.654 3.716 50 0 JHAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CSc1nnnn1-c1c(C)cc(C)cc1C ZINC000008867882 554761566 /nfs/dbraw/zinc/76/15/66/554761566.db2.gz CWZXJGYEANDEOS-IRLDBZIGSA-N 1 1 462.623 3.823 50 0 JHAAMO COc1cccc(NC(=O)COc2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)c1 ZINC000009315634 555090729 /nfs/dbraw/zinc/09/07/29/555090729.db2.gz QYHXAXPCDDECGX-QHCPKHFHSA-N 1 1 459.546 3.717 50 0 JHAAMO COc1ccc([C@H](CNC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)[NH+]2CCCC2)cc1 ZINC000009387872 555149366 /nfs/dbraw/zinc/14/93/66/555149366.db2.gz WMMHDSGGELMWFO-QFIPXVFZSA-N 1 1 466.969 3.770 50 0 JHAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009672728 555396011 /nfs/dbraw/zinc/39/60/11/555396011.db2.gz NVURKPWAIJHHFM-UHFFFAOYSA-N 1 1 490.526 3.831 50 0 JHAAMO CC[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000009742402 555474281 /nfs/dbraw/zinc/47/42/81/555474281.db2.gz TYRCSSFHEPOZGV-HSZRJFAPSA-N 1 1 484.666 3.745 50 0 JHAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000009817127 555522220 /nfs/dbraw/zinc/52/22/20/555522220.db2.gz SXHGDKDVLINCRH-UHFFFAOYSA-N 1 1 472.471 3.575 50 0 JHAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1 ZINC000019880019 555525261 /nfs/dbraw/zinc/52/52/61/555525261.db2.gz LQJQYHVGMQGFDO-UHFFFAOYSA-N 1 1 479.934 3.944 50 0 JHAAMO O[C@H](COc1cccc2ccccc21)CN1CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000019904800 555536118 /nfs/dbraw/zinc/53/61/18/555536118.db2.gz LKWBMXGQWBQVQD-UIOOFZCWSA-N 1 1 486.612 3.790 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2cc(I)ccc2NC(=O)c2cccc(C)c2)CC1 ZINC000019908749 555536807 /nfs/dbraw/zinc/53/68/07/555536807.db2.gz MWJVNOPAYYTWBW-UHFFFAOYSA-N 1 1 477.346 3.630 50 0 JHAAMO Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCC[N@@H+]4CCCC[C@H]4C)nn3c2C)cc1 ZINC000009841134 555543890 /nfs/dbraw/zinc/54/38/90/555543890.db2.gz MGNHXEPFDKSBIJ-GOSISDBHSA-N 1 1 466.655 3.723 50 0 JHAAMO COc1ccc([C@H]2[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000020108969 555644370 /nfs/dbraw/zinc/64/43/70/555644370.db2.gz WFWGWLDBQDVJGS-SXOMAYOGSA-N 1 1 469.585 3.950 50 0 JHAAMO Cc1cccc(C[NH+]2CCN(C(=O)C34C[C@H]5C[C@@H](C3)CC(n3cnc(Br)n3)(C5)C4)CC2)c1 ZINC000013959861 555662649 /nfs/dbraw/zinc/66/26/49/555662649.db2.gz ZEBGOEVICGKTKY-JUJAOGAQSA-N 1 1 498.469 3.989 50 0 JHAAMO CCOC(=O)C1CCN(C(=O)CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000014008868 555668992 /nfs/dbraw/zinc/66/89/92/555668992.db2.gz CCMVHLZRLXXVRX-UHFFFAOYSA-N 1 1 491.632 3.502 50 0 JHAAMO O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000014093320 555685792 /nfs/dbraw/zinc/68/57/92/555685792.db2.gz XAKRMQNNFJSIBA-QGZVFWFLSA-N 1 1 450.589 3.577 50 0 JHAAMO C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000014141514 555706822 /nfs/dbraw/zinc/70/68/22/555706822.db2.gz RKXZZUHIZAUFIA-NRFANRHFSA-N 1 1 497.661 3.591 50 0 JHAAMO CCOC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214641 555710336 /nfs/dbraw/zinc/71/03/36/555710336.db2.gz UFFAQPFEXOXVKN-VWLOTQADSA-N 1 1 484.641 3.595 50 0 JHAAMO CCOC(=O)N1CCC(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4F)oc3C)CC2)CC1 ZINC000020240799 555736137 /nfs/dbraw/zinc/73/61/37/555736137.db2.gz JJLMXWMLXCFOHI-UHFFFAOYSA-N 1 1 472.561 3.738 50 0 JHAAMO COc1cc2c(cc1C[N@@H+]1CCc3nnc(CNC(C)=O)n3CC1)oc(C)c2-c1ccccc1 ZINC000020271661 555748961 /nfs/dbraw/zinc/74/89/61/555748961.db2.gz DOBXSOMBMXLDQJ-UHFFFAOYSA-N 1 1 459.550 3.703 50 0 JHAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020283879 555753190 /nfs/dbraw/zinc/75/31/90/555753190.db2.gz PTXVGSUXINJWCF-NTKDMRAZSA-N 1 1 479.577 3.755 50 0 JHAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020283879 555753192 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484.666 3.939 50 0 JHAAMO CCC(CC)[C@H](CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)[NH+]1CCOCC1 ZINC000022755877 555954159 /nfs/dbraw/zinc/95/41/59/555954159.db2.gz OSBICXUDKSKBEK-RPWUZVMVSA-N 1 1 496.677 3.824 50 0 JHAAMO CCc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1 ZINC000015726127 555963464 /nfs/dbraw/zinc/96/34/64/555963464.db2.gz RETHQBZANSOUHV-NRFANRHFSA-N 1 1 464.566 3.845 50 0 JHAAMO CCc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1 ZINC000015726127 555963468 /nfs/dbraw/zinc/96/34/68/555963468.db2.gz RETHQBZANSOUHV-NRFANRHFSA-N 1 1 464.566 3.845 50 0 JHAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)NCCc4ccc(C)cc4)C3)n2)cc1OC ZINC000015726187 555963933 /nfs/dbraw/zinc/96/39/33/555963933.db2.gz BKUKOYWTBQQXLA-OAQYLSRUSA-N 1 1 464.566 3.633 50 0 JHAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)NCCc4ccc(C)cc4)C3)n2)cc1OC ZINC000015726187 555963935 /nfs/dbraw/zinc/96/39/35/555963935.db2.gz BKUKOYWTBQQXLA-OAQYLSRUSA-N 1 1 464.566 3.633 50 0 JHAAMO 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CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)sc2C1 ZINC000015880205 556052237 /nfs/dbraw/zinc/05/22/37/556052237.db2.gz LJBIEHIZCCUWMV-UHFFFAOYSA-N 1 1 484.647 3.983 50 0 JHAAMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015996947 556103629 /nfs/dbraw/zinc/10/36/29/556103629.db2.gz LFDIDPHFTVIRKW-QLBZUPSYSA-N 1 1 470.356 3.839 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000015999271 556104236 /nfs/dbraw/zinc/10/42/36/556104236.db2.gz MIZHYXVCKPFOEU-KANGHSEISA-N 1 1 460.292 3.564 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015999271 556104237 /nfs/dbraw/zinc/10/42/37/556104237.db2.gz MIZHYXVCKPFOEU-KANGHSEISA-N 1 1 460.292 3.564 50 0 JHAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C)c(Cl)cc3OC)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016009805 556108566 /nfs/dbraw/zinc/10/85/66/556108566.db2.gz GOOWNQDUXVFLCS-GDNALLQQSA-N 1 1 479.964 3.651 50 0 JHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016012055 556111014 /nfs/dbraw/zinc/11/10/14/556111014.db2.gz HCNPFFXLNXGECI-DDOIHHOZSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016012055 556111017 /nfs/dbraw/zinc/11/10/17/556111017.db2.gz HCNPFFXLNXGECI-DDOIHHOZSA-N 1 1 456.329 3.733 50 0 JHAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(Sc2nnc(C3CC3)n2CCC(N)=O)n1 ZINC000012911258 556130182 /nfs/dbraw/zinc/13/01/82/556130182.db2.gz HMEXXLUKHPJNRD-UHFFFAOYSA-N 1 1 459.645 3.645 50 0 JHAAMO COC(=O)c1cc(NC(=O)C[N@@H+](Cc2ccc(OC)cc2)[C@H](C)Cc2cccs2)cn1C ZINC000024992551 556171207 /nfs/dbraw/zinc/17/12/07/556171207.db2.gz NRLKVJGLDBXQRA-QGZVFWFLSA-N 1 1 455.580 3.954 50 0 JHAAMO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)ccc1C ZINC000012991994 556184504 /nfs/dbraw/zinc/18/45/04/556184504.db2.gz DHASESVIYQUTAL-HZPDHXFCSA-N 1 1 453.555 3.982 50 0 JHAAMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 ZINC000013057300 556252360 /nfs/dbraw/zinc/25/23/60/556252360.db2.gz PPBCTFNHMBIPIS-UHFFFAOYSA-N 1 1 466.003 3.594 50 0 JHAAMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 ZINC000013057300 556252361 /nfs/dbraw/zinc/25/23/61/556252361.db2.gz PPBCTFNHMBIPIS-UHFFFAOYSA-N 1 1 466.003 3.594 50 0 JHAAMO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2N2CCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000029154714 556348099 /nfs/dbraw/zinc/34/80/99/556348099.db2.gz XIPKVFUTCWZNCT-NRFANRHFSA-N 1 1 461.610 3.934 50 0 JHAAMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2N2CCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000029154714 556348102 /nfs/dbraw/zinc/34/81/02/556348102.db2.gz XIPKVFUTCWZNCT-NRFANRHFSA-N 1 1 461.610 3.934 50 0 JHAAMO Cc1[nH]c2ccc(Br)cc2c(=O)c1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019793727 556373137 /nfs/dbraw/zinc/37/31/37/556373137.db2.gz JOMBAEPRFBINFO-UHFFFAOYSA-N 1 1 470.367 3.646 50 0 JHAAMO COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000032781211 556494028 /nfs/dbraw/zinc/49/40/28/556494028.db2.gz ORPJSMNMDZGBOT-QFIPXVFZSA-N 1 1 453.564 3.529 50 0 JHAAMO COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000032781213 556494060 /nfs/dbraw/zinc/49/40/60/556494060.db2.gz ORPJSMNMDZGBOT-JOCHJYFZSA-N 1 1 453.564 3.529 50 0 JHAAMO CSCC[C@@H](NC(N)=O)C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000032809546 556499435 /nfs/dbraw/zinc/49/94/35/556499435.db2.gz YSMVNXDGXLKWQC-GOSISDBHSA-N 1 1 467.060 3.503 50 0 JHAAMO COCCn1c(C)cc(O)c([C@@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000008611845 562947792 /nfs/dbraw/zinc/94/77/92/562947792.db2.gz HZWZIBNKURRLAH-RUZDIDTESA-N 1 1 451.542 3.559 50 0 JHAAMO CCC[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)sc2C1 ZINC000056928524 569592469 /nfs/dbraw/zinc/59/24/69/569592469.db2.gz UITOQLCIALVUSE-UHFFFAOYSA-N 1 1 484.647 3.984 50 0 JHAAMO CCC[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)sc2C1 ZINC000056928524 569592470 /nfs/dbraw/zinc/59/24/70/569592470.db2.gz UITOQLCIALVUSE-UHFFFAOYSA-N 1 1 484.647 3.984 50 0 JHAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(F)c1 ZINC000057415605 569601044 /nfs/dbraw/zinc/60/10/44/569601044.db2.gz UUYMLEXBMUWXCA-DEOSSOPVSA-N 1 1 451.542 3.952 50 0 JHAAMO Cc1nc2ccccc2n(Cc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)c1=O ZINC000033005825 569614462 /nfs/dbraw/zinc/61/44/62/569614462.db2.gz VRUVAYCSGIUJOS-UHFFFAOYSA-N 1 1 452.558 3.711 50 0 JHAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)cc1OC ZINC000064801810 569631514 /nfs/dbraw/zinc/63/15/14/569631514.db2.gz JTFDVLOPLGONHF-UHFFFAOYSA-N 1 1 469.567 3.947 50 0 JHAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)cc4)n2)CN(Cc2ccc(F)cc2)CC3)CC1 ZINC000034755509 569655912 /nfs/dbraw/zinc/65/59/12/569655912.db2.gz DOGRULXLUUTXMH-UHFFFAOYSA-N 1 1 451.521 3.857 50 0 JHAAMO COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1CN(Cc1cccc(C)c1)CC2 ZINC000034755905 569656303 /nfs/dbraw/zinc/65/63/03/569656303.db2.gz XSHNBPMPXNDDGB-UHFFFAOYSA-N 1 1 459.594 3.896 50 0 JHAAMO COc1cccc(NC(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccccc4F)c3C2)c1 ZINC000034757479 569656908 /nfs/dbraw/zinc/65/69/08/569656908.db2.gz LHDJYFOHIGEFAE-UHFFFAOYSA-N 1 1 492.555 3.759 50 0 JHAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccccc4F)n2)CN(C(=O)Nc2ccccc2)CC3)CC1 ZINC000034757484 569656935 /nfs/dbraw/zinc/65/69/35/569656935.db2.gz YXSVWTKNUWRDJV-UHFFFAOYSA-N 1 1 462.529 3.750 50 0 JHAAMO Cc1cc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccc(F)cc2)CC3)ccc1F ZINC000034758543 569657393 /nfs/dbraw/zinc/65/73/93/569657393.db2.gz PNIKAHFVOBLNFU-UHFFFAOYSA-N 1 1 479.531 3.806 50 0 JHAAMO O=C(NCCC[NH+]1CCOCC1)C1CCN(c2nc3ccccc3n2CC2CCCCC2)CC1 ZINC000034906526 569670915 /nfs/dbraw/zinc/67/09/15/569670915.db2.gz MKJOMHCMYXPZFT-UHFFFAOYSA-N 1 1 467.658 3.672 50 0 JHAAMO O=C(COC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000069950461 569694104 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ZINC000021794901 195322058 /nfs/dbraw/zinc/32/20/58/195322058.db2.gz KFSZMJCDIJOGRZ-UHFFFAOYSA-N 1 1 469.567 3.565 50 0 JHAAMO CC(C)OC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)CC1CC1 ZINC000036310183 519773948 /nfs/dbraw/zinc/77/39/48/519773948.db2.gz BJPMZBVDTOYAQI-QPPBQGQZSA-N 1 1 490.641 3.890 50 0 JHAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F ZINC000036306732 520090481 /nfs/dbraw/zinc/09/04/81/520090481.db2.gz GWFBDIXASUQUHW-FQEVSTJZSA-N 1 1 457.546 3.864 50 0 JHAAMO CCCC[N@@H+](CC)CCNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1c1ccccc1n2C ZINC000008595559 520476076 /nfs/dbraw/zinc/47/60/76/520476076.db2.gz UOORRMDWARSTQE-UHFFFAOYSA-N 1 1 475.593 3.738 50 0 JHAAMO CCN(CC)C(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000048333951 520556810 /nfs/dbraw/zinc/55/68/10/520556810.db2.gz RXYNMGYPWRUIPO-HSZRJFAPSA-N 1 1 473.639 3.683 50 0 JHAAMO CCOC(=O)c1ncoc1-c1ccccc1C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000033131135 521599739 /nfs/dbraw/zinc/59/97/39/521599739.db2.gz AZBKVTBXNBKLHJ-UHFFFAOYSA-N 1 1 480.540 3.600 50 0 JHAAMO COCCn1c(C)cc(O)c([C@H](c2ccccc2F)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697699 522065819 /nfs/dbraw/zinc/06/58/19/522065819.db2.gz BZDYMDWSGBDOMH-VWLOTQADSA-N 1 1 469.532 3.699 50 0 JHAAMO CCc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000033139826 522508066 /nfs/dbraw/zinc/50/80/66/522508066.db2.gz AHDQOLYFPBLHEK-UHFFFAOYSA-N 1 1 475.366 3.745 50 0 JHAAMO C[N@@H+](CCNC(=O)c1ccc(CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)cc1)Cc1ccccc1 ZINC000035459239 522861753 /nfs/dbraw/zinc/86/17/53/522861753.db2.gz WXFQRBGMRJUAJY-MHZLTWQESA-N 1 1 496.611 3.700 50 0 JHAAMO COc1ccc(-c2cn3c4ccc(C(=O)NCCC[NH+]5CCOCC5)cc4sc3n2)cc1 ZINC000020490309 523145035 /nfs/dbraw/zinc/14/50/35/523145035.db2.gz BMUPFYNMUOLQRL-UHFFFAOYSA-N 1 1 450.564 3.677 50 0 JHAAMO COc1ccc(-c2nc(S[C@@H](CC(=O)NCCC[NH+]3CCOCC3)c3ccc(C)cc3)n[nH]2)cc1 ZINC000015441394 523175145 /nfs/dbraw/zinc/17/51/45/523175145.db2.gz WMYOZSISCPWTSA-QHCPKHFHSA-N 1 1 495.649 3.851 50 0 JHAAMO COCCC[N@@H+](Cc1nc(=O)c2c(-c3ccc(C)cc3C)csc2[nH]1)C[C@@H](O)COC(C)C ZINC000036206461 523270456 /nfs/dbraw/zinc/27/04/56/523270456.db2.gz XFWGTCJRYUVCCY-LJQANCHMSA-N 1 1 473.639 3.893 50 0 JHAAMO COCCC[N@H+](Cc1nc(=O)c2c(-c3ccc(C)cc3C)csc2[nH]1)C[C@@H](O)COC(C)C ZINC000036206461 523270462 /nfs/dbraw/zinc/27/04/62/523270462.db2.gz XFWGTCJRYUVCCY-LJQANCHMSA-N 1 1 473.639 3.893 50 0 JHAAMO COc1ccc(-c2noc3ncnc(N4CCC(C(=O)NCCC[N@H+]5CCC[C@H](C)C5)CC4)c32)cc1 ZINC000033084956 523304750 /nfs/dbraw/zinc/30/47/50/523304750.db2.gz USABYGXTVMUQRJ-IBGZPJMESA-N 1 1 492.624 3.748 50 0 JHAAMO COc1ccc(C)cc1C[NH+]1CCN(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)CC1 ZINC000022783811 523809957 /nfs/dbraw/zinc/80/99/57/523809957.db2.gz DFIZBHLOLGTFKO-SSEXGKCCSA-N 1 1 498.627 3.769 50 0 JHAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C12CCCCC2 ZINC000085875052 523810386 /nfs/dbraw/zinc/81/03/86/523810386.db2.gz INOVFWMWUAKSFU-FTBPSBKWSA-N 1 1 467.654 3.956 50 0 biogenic JHAAMO CCc1ccc(NC(=O)N2CC[NH+](CCn3c(-c4ccncc4)nc4cccnc43)CC2)cc1 ZINC000033139768 523980311 /nfs/dbraw/zinc/98/03/11/523980311.db2.gz KONYNPUMKILKDW-UHFFFAOYSA-N 1 1 455.566 3.905 50 0 JHAAMO Cc1ccc(C)c([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000036342660 524206091 /nfs/dbraw/zinc/20/60/91/524206091.db2.gz XYQHVRMLVAYESH-DEOSSOPVSA-N 1 1 451.542 3.959 50 0 JHAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(C)c(F)c3)[nH]c(=O)c2C1 ZINC000033331783 524456421 /nfs/dbraw/zinc/45/64/21/524456421.db2.gz ALWWHSUQFSMAPY-UHFFFAOYSA-N 1 1 468.554 3.927 50 0 JHAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3ccc(C)c(F)c3)[nH]c(=O)c2C1 ZINC000033331783 524456430 /nfs/dbraw/zinc/45/64/30/524456430.db2.gz ALWWHSUQFSMAPY-UHFFFAOYSA-N 1 1 468.554 3.927 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000043563448 524602095 /nfs/dbraw/zinc/60/20/95/524602095.db2.gz LYIVDCCDLKARIB-NDBXHCKUSA-N 1 1 471.557 3.977 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000043563448 524602106 /nfs/dbraw/zinc/60/21/06/524602106.db2.gz LYIVDCCDLKARIB-NDBXHCKUSA-N 1 1 471.557 3.977 50 0 JHAAMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccccc3C[N@H+]3CCCC[C@@H]3C)c2)C[C@H](C)O1 ZINC000046809682 525053344 /nfs/dbraw/zinc/05/33/44/525053344.db2.gz ODSQAJJGJCYUEA-FDFHNCONSA-N 1 1 499.677 3.789 50 0 JHAAMO COc1ccc(S[C@H]2C[C@@H](C(=O)N3CCOCC3)[N@H+](C3C4CC5CC(C4)CC3C5)C2)cc1 ZINC000014969129 525113795 /nfs/dbraw/zinc/11/37/95/525113795.db2.gz QQXKRPWLLKOEJE-TYNAOWFZSA-N 1 1 456.652 3.914 50 0 JHAAMO Cc1c2cnn(CC(=O)NCCC[N@@H+]3[C@H](C)CCC[C@@H]3C)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417599 525993597 /nfs/dbraw/zinc/99/35/97/525993597.db2.gz IJUGCWJYDFTUIS-KDURUIRLSA-N 1 1 481.616 3.771 50 0 JHAAMO Cc1cc(C(=O)N2CCC[C@@H](COc3ccc(C[N@@H+](C)CCc4ccccn4)cc3)C2)n(C)n1 ZINC000014969601 526245919 /nfs/dbraw/zinc/24/59/19/526245919.db2.gz DIDXLPZWKYQUDH-HSZRJFAPSA-N 1 1 461.610 3.729 50 0 JHAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)NCCCn1nnc2ccccc21 ZINC000014888733 526496011 /nfs/dbraw/zinc/49/60/11/526496011.db2.gz UDIDCKRJYFBIJZ-SANMLTNESA-N 1 1 455.562 3.964 50 0 JHAAMO O=C(CSc1nc(C(F)(F)F)nc2ccccc21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014707886 527053434 /nfs/dbraw/zinc/05/34/34/527053434.db2.gz IZJZEAGQLJTDTD-UHFFFAOYSA-N 1 1 468.545 3.892 50 0 JHAAMO Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@H]([N@@H+]1CCOc3ccc(Cl)cc3C1)C2 ZINC000014754457 527546678 /nfs/dbraw/zinc/54/66/78/527546678.db2.gz OVOZTYSARRFHRI-KRWDZBQOSA-N 1 1 456.999 3.817 50 0 JHAAMO Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@H]([N@H+]1CCOc3ccc(Cl)cc3C1)C2 ZINC000014754457 527546686 /nfs/dbraw/zinc/54/66/86/527546686.db2.gz OVOZTYSARRFHRI-KRWDZBQOSA-N 1 1 456.999 3.817 50 0 JHAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2ccccc2)nc2n[nH]c(-c3ccc(F)cc3)c21 ZINC000033269501 527672610 /nfs/dbraw/zinc/67/26/10/527672610.db2.gz NOKGMTPQOGIZSY-UHFFFAOYSA-N 1 1 459.525 3.883 50 0 JHAAMO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008750005 554652382 /nfs/dbraw/zinc/65/23/82/554652382.db2.gz SFTNJSGBTURWRS-OAQYLSRUSA-N 1 1 484.666 3.574 50 0 JHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000008765342 554665838 /nfs/dbraw/zinc/66/58/38/554665838.db2.gz TZVMAFBBUDTGTC-KRWDZBQOSA-N 1 1 456.583 3.747 50 0 biogenic JHAAMO CCOC(=O)C1CC[NH+](C[C@@H](O)COc2ccc3c(c2)oc(C)c(-c2ccc(OC)cc2)c3=O)CC1 ZINC000009136542 554932651 /nfs/dbraw/zinc/93/26/51/554932651.db2.gz JTPNPPALABQGPQ-OAQYLSRUSA-N 1 1 495.572 3.792 50 0 JHAAMO CC[N@@H+](CCCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1)Cc1ccccc1 ZINC000009211241 554980951 /nfs/dbraw/zinc/98/09/51/554980951.db2.gz WLJMRPUKLBXIKA-UHFFFAOYSA-N 1 1 489.668 3.798 50 0 JHAAMO c1csc(-c2csc3nc(CN4CCOCC4)nc(N4CC[NH+](Cc5cccnc5)CC4)c23)c1 ZINC000009221247 554990384 /nfs/dbraw/zinc/99/03/84/554990384.db2.gz CGBOSDIVFUKENG-UHFFFAOYSA-N 1 1 492.674 3.969 50 0 JHAAMO CCCC[N@@H+](CC)CCCNC(=O)C1CCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000009226023 554998608 /nfs/dbraw/zinc/99/86/08/554998608.db2.gz YLUYYXQFLIEWMY-UHFFFAOYSA-N 1 1 487.645 3.594 50 0 JHAAMO COc1cc(CCC2CC[NH+](CC(=O)Nc3ccccc3C(=O)NC3CC3)CC2)cc(OC)c1 ZINC000009255941 555032385 /nfs/dbraw/zinc/03/23/85/555032385.db2.gz XMFPFYCHMYBZAO-UHFFFAOYSA-N 1 1 465.594 3.879 50 0 JHAAMO Cc1c(C(=O)N2CCCC2)oc2c1-c1nn(CC(=O)NCCC[N@H+](C)C3CCCCC3)cc1CC2 ZINC000009441805 555212840 /nfs/dbraw/zinc/21/28/40/555212840.db2.gz JXHZRLWNYAZPST-UHFFFAOYSA-N 1 1 481.641 3.557 50 0 JHAAMO O=c1cc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nc2ccc(Br)cn12 ZINC000009512166 555301991 /nfs/dbraw/zinc/30/19/91/555301991.db2.gz BKFCSCNNMIUVMB-GOSISDBHSA-N 1 1 456.340 3.955 50 0 JHAAMO C[N@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000009593276 555408328 /nfs/dbraw/zinc/40/83/28/555408328.db2.gz CUKNMGIIOWPDOL-UHFFFAOYSA-N 1 1 483.572 3.549 50 0 JHAAMO C[N@@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000009593276 555408331 /nfs/dbraw/zinc/40/83/31/555408331.db2.gz CUKNMGIIOWPDOL-UHFFFAOYSA-N 1 1 483.572 3.549 50 0 JHAAMO COc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000013555503 555493683 /nfs/dbraw/zinc/49/36/83/555493683.db2.gz UZEBQRHPVCEFOY-OMICENBGSA-N 1 1 497.526 3.849 50 0 JHAAMO COc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000013555503 555493685 /nfs/dbraw/zinc/49/36/85/555493685.db2.gz UZEBQRHPVCEFOY-OMICENBGSA-N 1 1 497.526 3.849 50 0 JHAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1cscn1)CC[N@H+](Cc1cc(C)c(C)cc1C)CC2 ZINC000019840691 555508674 /nfs/dbraw/zinc/50/86/74/555508674.db2.gz YFSWFGFLNCKVHP-UHFFFAOYSA-N 1 1 480.634 3.569 50 0 JHAAMO Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019849769 555510817 /nfs/dbraw/zinc/51/08/17/555510817.db2.gz FDSJCNSZUWGGBC-UHFFFAOYSA-N 1 1 477.630 3.549 50 0 JHAAMO O=C(NCCC[NH+]1CCOCC1)/C(=C/c1ccc(-c2ccc(F)cc2)o1)NC(=O)c1ccccc1 ZINC000019911204 555537718 /nfs/dbraw/zinc/53/77/18/555537718.db2.gz IUMRDHYPXXRYMH-CLCOLTQESA-N 1 1 477.536 3.695 50 0 JHAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)NC[C@H](c1ccncc1)N1CCOCC1 ZINC000020109510 555645539 /nfs/dbraw/zinc/64/55/39/555645539.db2.gz RXGBOIYEKGIREU-IAPPQJPRSA-N 1 1 486.616 3.597 50 0 JHAAMO Cc1cc(N2C[C@H](C)C[C@H](C)C2)nc2ccc(NC(=O)CCC(=O)NCCC[NH+]3CCOCC3)cc12 ZINC000020138606 555662218 /nfs/dbraw/zinc/66/22/18/555662218.db2.gz KWANIVQBIARZKT-OYRHEFFESA-N 1 1 495.668 3.583 50 0 JHAAMO CCOc1cc2nc(-c3ccc(OC)c(OC)c3)nc(NCCC[NH+]3CCOCC3)c2cc1OC ZINC000020171588 555681202 /nfs/dbraw/zinc/68/12/02/555681202.db2.gz GUEZCQOOEUTMJF-UHFFFAOYSA-N 1 1 482.581 3.856 50 0 JHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccccc2SCC(=O)NCc2ccco2)CC1 ZINC000014113266 555691268 /nfs/dbraw/zinc/69/12/68/555691268.db2.gz HGXNYDYATUNVAE-UHFFFAOYSA-N 1 1 463.603 3.955 50 0 JHAAMO O=S(=O)(c1cccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1)N1CCOCC1 ZINC000014129155 555698559 /nfs/dbraw/zinc/69/85/59/555698559.db2.gz IYEIVXQMTGKMSF-LJQANCHMSA-N 1 1 457.621 3.697 50 0 JHAAMO CCn1nc(C)c(C[NH2+]Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn32)c1C ZINC000011663721 555794626 /nfs/dbraw/zinc/79/46/26/555794626.db2.gz DAINGLHUMIHQBN-UHFFFAOYSA-N 1 1 450.612 3.834 50 0 JHAAMO CCOc1ccccc1C[N@@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccco3)n2CC1 ZINC000020600201 555841837 /nfs/dbraw/zinc/84/18/37/555841837.db2.gz BUACNXXSSFPFFM-FQEVSTJZSA-N 1 1 451.571 3.845 50 0 JHAAMO CCC[NH+]1CCN(C(=O)c2c(=O)cc(C)n(Cc3ccncc3)c2CCc2ccccc2)CC1 ZINC000015001214 555846232 /nfs/dbraw/zinc/84/62/32/555846232.db2.gz LCLBQGLRRPXDTH-UHFFFAOYSA-N 1 1 458.606 3.553 50 0 JHAAMO COc1ccc(F)c(C[C@]2(CCC(=O)N3CCC[N@H+](Cc4ccccc4F)CC3)CCC(=O)N2)c1 ZINC000011872830 555848008 /nfs/dbraw/zinc/84/80/08/555848008.db2.gz REHWJZAJIFEIIG-HHHXNRCGSA-N 1 1 485.575 3.679 50 0 JHAAMO 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/nfs/dbraw/zinc/94/77/72/562947772.db2.gz HZWZIBNKURRLAH-VWLOTQADSA-N 1 1 451.542 3.559 50 0 JHAAMO CC(C)[NH+]1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CCC4)c2C2CC2)CC1 ZINC000055099477 569590627 /nfs/dbraw/zinc/59/06/27/569590627.db2.gz DINFDXZAPKFGSE-UHFFFAOYSA-N 1 1 456.594 3.862 50 0 JHAAMO COc1ccc(-c2nnn(C3CC[NH+](CC(=O)Nc4cccc5ccccc54)CC3)n2)cc1OC ZINC000008694530 569593179 /nfs/dbraw/zinc/59/31/79/569593179.db2.gz XQNPEEFLXXVMFC-UHFFFAOYSA-N 1 1 472.549 3.786 50 0 JHAAMO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000057403328 569599802 /nfs/dbraw/zinc/59/98/02/569599802.db2.gz XGHJZGCWFDBLKR-UHFFFAOYSA-N 1 1 470.513 3.779 50 0 JHAAMO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000057403328 569599803 /nfs/dbraw/zinc/59/98/03/569599803.db2.gz XGHJZGCWFDBLKR-UHFFFAOYSA-N 1 1 470.513 3.779 50 0 JHAAMO Cc1cc(=O)c(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1-c1ccccc1C(F)(F)F ZINC000060015892 569608363 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YNLHMMLJEMIRJG-NZQKXSOJSA-N 1 1 490.641 3.890 50 0 JHAAMO COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)C3)n2)cc1 ZINC000245343271 570067214 /nfs/dbraw/zinc/06/72/14/570067214.db2.gz KBNHTQVJMYCIKG-ZVDOUQERSA-N 1 1 455.603 3.731 50 0 JHAAMO COc1ccc([C@H]2[C@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c3ccccc3C(=O)N2C)cc1 ZINC000253411208 570097729 /nfs/dbraw/zinc/09/77/29/570097729.db2.gz OILQJUJLILEBSB-CCOBIDFTSA-N 1 1 461.606 3.986 50 0 biogenic JHAAMO O=C(c1c(F)cccc1F)N1CCC2(C[C@@H]2C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000299762281 570174695 /nfs/dbraw/zinc/17/46/95/570174695.db2.gz SXWUHSWSBBFHFQ-HXUWFJFHSA-N 1 1 453.533 3.552 50 0 JHAAMO C[N@@H+](CCNC(=O)CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21)Cc1ccccc1 ZINC000003057141 194221474 /nfs/dbraw/zinc/22/14/74/194221474.db2.gz YSPJXMQXDCZDET-KOEQRZSOSA-N 1 1 459.521 3.840 50 0 JHAAMO CCOc1ccc(C(=O)NCC(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1OCC ZINC000012774705 195119927 /nfs/dbraw/zinc/11/99/27/195119927.db2.gz GJTCSHFFRMAXQB-UHFFFAOYSA-N 1 1 496.995 3.764 50 0 JHAAMO CCn1c(=O)c2c3c(sc2nc1SCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CCCC3 ZINC000012808356 195143058 /nfs/dbraw/zinc/14/30/58/195143058.db2.gz MCPQGSPVKCGNSL-GOSISDBHSA-N 1 1 482.675 3.840 50 0 JHAAMO C[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)[N@H+](C)CCOc1ccccc1F ZINC000012817239 195147576 /nfs/dbraw/zinc/14/75/76/195147576.db2.gz WMUUNUORDIHVGF-QGZVFWFLSA-N 1 1 498.020 3.992 50 0 JHAAMO C[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)[N@@H+](C)CCOc1ccccc1F ZINC000012817239 195147579 /nfs/dbraw/zinc/14/75/79/195147579.db2.gz WMUUNUORDIHVGF-QGZVFWFLSA-N 1 1 498.020 3.992 50 0 JHAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2c3ccccc3[nH]c2c(-c2ccc3c(c2)OCO3)n1 ZINC000020610880 195184207 /nfs/dbraw/zinc/18/42/07/195184207.db2.gz NLPBPRZVHDHTJF-UHFFFAOYSA-N 1 1 458.518 3.564 50 0 biogenic JHAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(F)c3)Oc3ccccc32)C1 ZINC000020730679 195210005 /nfs/dbraw/zinc/21/00/05/195210005.db2.gz JYHWUXJCKNJIFU-JWGRYVKWSA-N 1 1 451.542 3.830 50 0 JHAAMO CCCC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)c(=O)[nH]1 ZINC000020782817 195224923 /nfs/dbraw/zinc/22/49/23/195224923.db2.gz QYONBIIQYSUHJC-UHFFFAOYSA-N 1 1 494.680 3.942 50 0 JHAAMO CCCC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)c(=O)[nH]1 ZINC000020782817 195224926 /nfs/dbraw/zinc/22/49/26/195224926.db2.gz QYONBIIQYSUHJC-UHFFFAOYSA-N 1 1 494.680 3.942 50 0 JHAAMO COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccc(OC)c(C)c2)CC3)o1 ZINC000020908907 195245781 /nfs/dbraw/zinc/24/57/81/195245781.db2.gz MUOLEQQIFVSWSI-QFIPXVFZSA-N 1 1 495.624 3.910 50 0 JHAAMO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1cccc3cccnc31)CC2 ZINC000020991901 195262485 /nfs/dbraw/zinc/26/24/85/195262485.db2.gz FVVZVPGSHRQMHL-FQEVSTJZSA-N 1 1 454.578 3.695 50 0 JHAAMO COc1ccc(C[N@@H+]2CCc3nc(N4CCN(c5ccc(F)cc5)CC4)ncc3C2)c(OC)c1 ZINC000021039810 195270578 /nfs/dbraw/zinc/27/05/78/195270578.db2.gz HQDFFVLCZSRXED-UHFFFAOYSA-N 1 1 463.557 3.518 50 0 JHAAMO COc1ccc(C[N@H+]2CCc3nc(N4CCN(c5ccc(F)cc5)CC4)ncc3C2)c(OC)c1 ZINC000021039810 195270581 /nfs/dbraw/zinc/27/05/81/195270581.db2.gz HQDFFVLCZSRXED-UHFFFAOYSA-N 1 1 463.557 3.518 50 0 JHAAMO COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CC1=O ZINC000021523263 195303823 /nfs/dbraw/zinc/30/38/23/195303823.db2.gz RHEDIYNBHINHIE-QGZVFWFLSA-N 1 1 454.958 3.551 50 0 JHAAMO CC[NH+]1CCN(c2nnc(-n3cccc3C(=O)Nc3cccc(C(F)(F)F)c3)s2)CC1 ZINC000021535303 195311173 /nfs/dbraw/zinc/31/11/73/195311173.db2.gz ADHCOGZHOFFPSZ-UHFFFAOYSA-N 1 1 450.490 3.742 50 0 JHAAMO O=S(=O)(N[C@H]1CCCC[C@@H]1[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000058085844 195364432 /nfs/dbraw/zinc/36/44/32/195364432.db2.gz QQYNBGDRAKCUCB-VXKWHMMOSA-N 1 1 451.995 3.891 50 0 JHAAMO O=S(=O)(N[C@H]1CCCC[C@H]1[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000058085843 195364497 /nfs/dbraw/zinc/36/44/97/195364497.db2.gz QQYNBGDRAKCUCB-FCHUYYIVSA-N 1 1 451.995 3.891 50 0 JHAAMO O=C(COCC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)NCC(F)(F)F ZINC000058140341 195366621 /nfs/dbraw/zinc/36/66/21/195366621.db2.gz LUWXWKULSXHDKZ-QFIPXVFZSA-N 1 1 469.935 3.742 50 0 JHAAMO CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)C1 ZINC000058157822 195367834 /nfs/dbraw/zinc/36/78/34/195367834.db2.gz IIOSWIJAYKTAJK-HXUWFJFHSA-N 1 1 466.582 3.514 50 0 JHAAMO CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)C1 ZINC000058157822 195367836 /nfs/dbraw/zinc/36/78/36/195367836.db2.gz IIOSWIJAYKTAJK-HXUWFJFHSA-N 1 1 466.582 3.514 50 0 JHAAMO O=C(C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1)Nc1ccc(I)cc1 ZINC000058174236 195371537 /nfs/dbraw/zinc/37/15/37/195371537.db2.gz JXRRIUVJRZTADX-ICSRJNTNSA-N 1 1 450.320 3.818 50 0 JHAAMO O=C(C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1)Nc1ccc(I)cc1 ZINC000058174236 195371539 /nfs/dbraw/zinc/37/15/39/195371539.db2.gz JXRRIUVJRZTADX-ICSRJNTNSA-N 1 1 450.320 3.818 50 0 JHAAMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000058210566 195373770 /nfs/dbraw/zinc/37/37/70/195373770.db2.gz BKLDPSVDGVGSHG-HNNXBMFYSA-N 1 1 462.443 3.819 50 0 JHAAMO CCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058215786 195373803 /nfs/dbraw/zinc/37/38/03/195373803.db2.gz LICQDIJPIGBMMT-SANMLTNESA-N 1 1 450.627 3.838 50 0 JHAAMO CCC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058215786 195373804 /nfs/dbraw/zinc/37/38/04/195373804.db2.gz LICQDIJPIGBMMT-SANMLTNESA-N 1 1 450.627 3.838 50 0 JHAAMO CCC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058215786 195373806 /nfs/dbraw/zinc/37/38/06/195373806.db2.gz LICQDIJPIGBMMT-SANMLTNESA-N 1 1 450.627 3.838 50 0 JHAAMO COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000058304580 195376342 /nfs/dbraw/zinc/37/63/42/195376342.db2.gz MOYSISBQPRVCNV-GOSISDBHSA-N 1 1 466.003 3.752 50 0 JHAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000043727094 518592347 /nfs/dbraw/zinc/59/23/47/518592347.db2.gz AODNNWZIFYOPJN-BJESRGMDSA-N 1 1 458.514 3.542 50 0 JHAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146507 518878632 /nfs/dbraw/zinc/87/86/32/518878632.db2.gz FGCUDRVXLXAHGF-SFTDATJTSA-N 1 1 458.530 3.726 50 0 JHAAMO CC(C)c1ccc(Sc2ccc(N3CCC(C(=O)NCCC[NH+]4CCOCC4)CC3)nn2)cc1 ZINC000045921744 519838916 /nfs/dbraw/zinc/83/89/16/519838916.db2.gz HRJYTAGJIGNSPM-UHFFFAOYSA-N 1 1 483.682 3.806 50 0 JHAAMO CCOC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036304373 520152616 /nfs/dbraw/zinc/15/26/16/520152616.db2.gz LZZBEROIRKAIOK-JOCHJYFZSA-N 1 1 469.582 3.827 50 0 JHAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036304373 520152627 /nfs/dbraw/zinc/15/26/27/520152627.db2.gz LZZBEROIRKAIOK-JOCHJYFZSA-N 1 1 469.582 3.827 50 0 JHAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@@H](O)COC(C)C ZINC000036309936 520318130 /nfs/dbraw/zinc/31/81/30/520318130.db2.gz IAPHRFVREFQWFG-IRLDBZIGSA-N 1 1 460.640 3.669 50 0 JHAAMO CCC[C@H](O)C[N@H+](CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309563 521181561 /nfs/dbraw/zinc/18/15/61/521181561.db2.gz NVTRQGLCIFMDQT-UGKGYDQZSA-N 1 1 464.603 3.501 50 0 JHAAMO CCC[C@H](O)C[N@@H+](CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309563 521181568 /nfs/dbraw/zinc/18/15/68/521181568.db2.gz NVTRQGLCIFMDQT-UGKGYDQZSA-N 1 1 464.603 3.501 50 0 JHAAMO CCOc1ccc([C@@H](c2c(O)cc(C)n(CCOC)c2=O)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000008611910 521230130 /nfs/dbraw/zinc/23/01/30/521230130.db2.gz NOAQXVSVUPZXIJ-MHZLTWQESA-N 1 1 495.595 3.958 50 0 JHAAMO CC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4c(F)c(F)cc(F)c4F)c(C)c32)CC1 ZINC000033048450 521701959 /nfs/dbraw/zinc/70/19/59/521701959.db2.gz GIBZXTAXGGMCBH-UHFFFAOYSA-N 1 1 453.465 3.950 50 0 JHAAMO COc1cc(-c2noc(CC[N@H+](Cc3ccccc3)C[C@@H](O)COC(C)C)n2)cc(OC)c1OC ZINC000036154781 521913472 /nfs/dbraw/zinc/91/34/72/521913472.db2.gz OHZIIYLPDOCOOH-OAQYLSRUSA-N 1 1 485.581 3.593 50 0 JHAAMO COCCn1c(C)cc(O)c([C@@H](c2cccc(OC)c2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022697601 522064925 /nfs/dbraw/zinc/06/49/25/522064925.db2.gz TTWKIUHTZJSJCY-AREMUKBSSA-N 1 1 481.568 3.568 50 0 JHAAMO COCCn1c(C)cc(O)c([C@@H](c2ccccc2F)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697701 522065271 /nfs/dbraw/zinc/06/52/71/522065271.db2.gz BZDYMDWSGBDOMH-RUZDIDTESA-N 1 1 469.532 3.699 50 0 JHAAMO COC[C@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309690 522785185 /nfs/dbraw/zinc/78/51/85/522785185.db2.gz UFFGGAIKBSWMFD-OFNKIYASSA-N 1 1 478.630 3.747 50 0 JHAAMO COc1cc(OC)cc([C@@H]2[C@H](Oc3cc(C)ccc3C)C(=O)N2CCCC[NH+]2CCOCC2)c1 ZINC000048237031 522880934 /nfs/dbraw/zinc/88/09/34/522880934.db2.gz OSAZOKCTJUPATA-FTJBHMTQSA-N 1 1 468.594 3.764 50 0 JHAAMO COCc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012245550 522898322 /nfs/dbraw/zinc/89/83/22/522898322.db2.gz XAWIXYWYVAKXBI-HXUWFJFHSA-N 1 1 486.551 3.619 50 0 JHAAMO CCn1c2c(C(=O)Nc3ccccc3Cl)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000064967793 523255438 /nfs/dbraw/zinc/25/54/38/523255438.db2.gz KQYJXTGSXBXAPJ-UHFFFAOYSA-N 1 1 491.979 3.989 50 0 JHAAMO CCn1c2c(C(=O)Nc3ccccc3Cl)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000064967793 523255452 /nfs/dbraw/zinc/25/54/52/523255452.db2.gz KQYJXTGSXBXAPJ-UHFFFAOYSA-N 1 1 491.979 3.989 50 0 JHAAMO Cn1cc(C[N@H+](C)Cc2cccc(OC[C@@H]3CCCN(C(=O)Cc4ccsc4)C3)c2)cn1 ZINC000014993661 523516757 /nfs/dbraw/zinc/51/67/57/523516757.db2.gz NOTAUEKZLGPJHP-JOCHJYFZSA-N 1 1 452.624 3.974 50 0 JHAAMO Cn1cc(C[N@@H+](C)Cc2cccc(OC[C@@H]3CCCN(C(=O)Cc4ccsc4)C3)c2)cn1 ZINC000014993661 523516772 /nfs/dbraw/zinc/51/67/72/523516772.db2.gz NOTAUEKZLGPJHP-JOCHJYFZSA-N 1 1 452.624 3.974 50 0 JHAAMO COc1ccc(C)cc1NC(=O)Cn1c(=O)c2c(nc1C(C)C)C[N@H+](Cc1ccccc1)CC2 ZINC000033277329 523827559 /nfs/dbraw/zinc/82/75/59/523827559.db2.gz NKYDHUTVLCZUKA-UHFFFAOYSA-N 1 1 460.578 3.881 50 0 JHAAMO COc1ccc(C)cc1NC(=O)Cn1c(=O)c2c(nc1C(C)C)C[N@@H+](Cc1ccccc1)CC2 ZINC000033277329 523827568 /nfs/dbraw/zinc/82/75/68/523827568.db2.gz NKYDHUTVLCZUKA-UHFFFAOYSA-N 1 1 460.578 3.881 50 0 JHAAMO C[NH+]1CCN(C(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000022749096 523874380 /nfs/dbraw/zinc/87/43/80/523874380.db2.gz MYWISCPIOAHLJA-UHFFFAOYSA-N 1 1 490.840 3.612 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1 ZINC000033260168 524109095 /nfs/dbraw/zinc/10/90/95/524109095.db2.gz AVTBHCLANDNSOK-GOSISDBHSA-N 1 1 482.032 3.652 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-c2nc(CCN(C)C(=O)c3ccccc3F)no2)cc1 ZINC000033273573 524111400 /nfs/dbraw/zinc/11/14/00/524111400.db2.gz PPWYFMOZFZRNKM-LJQANCHMSA-N 1 1 493.583 3.795 50 0 JHAAMO COc1cccc2c1OCCC[N@H+]([C@H]1CCc3c(c(C(=O)N(C)Cc4ccccc4)nn3C)C1)C2 ZINC000014743855 524233681 /nfs/dbraw/zinc/23/36/81/524233681.db2.gz XSZJQAYGYVYUKY-QFIPXVFZSA-N 1 1 474.605 3.843 50 0 JHAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(F)cc3F)[nH]c(=O)c2C1 ZINC000033331785 524455571 /nfs/dbraw/zinc/45/55/71/524455571.db2.gz CFKYUOQHLINCHX-UHFFFAOYSA-N 1 1 472.517 3.758 50 0 JHAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3ccc(F)cc3F)[nH]c(=O)c2C1 ZINC000033331785 524455579 /nfs/dbraw/zinc/45/55/79/524455579.db2.gz CFKYUOQHLINCHX-UHFFFAOYSA-N 1 1 472.517 3.758 50 0 JHAAMO COc1ccc(OC)c(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccccc3F)C4=O)CC2)c1 ZINC000014985134 524826703 /nfs/dbraw/zinc/82/67/03/524826703.db2.gz KRAHDIZMTWENQK-UHFFFAOYSA-N 1 1 489.547 3.961 50 0 JHAAMO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc1)c1ccc(F)cc1 ZINC000033280362 525211695 /nfs/dbraw/zinc/21/16/95/525211695.db2.gz NBOKUDCJKJAZRE-IBGZPJMESA-N 1 1 489.595 3.845 50 0 JHAAMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc1)c1ccc(F)cc1 ZINC000033280362 525211704 /nfs/dbraw/zinc/21/17/04/525211704.db2.gz NBOKUDCJKJAZRE-IBGZPJMESA-N 1 1 489.595 3.845 50 0 JHAAMO Cc1ccc(Oc2ccc(NC(=O)CN3CCC[N@H+](CC(=O)NC(C)(C)C)CC3)cc2)cc1 ZINC000022803699 525473310 /nfs/dbraw/zinc/47/33/10/525473310.db2.gz PFDNFPKVXXGQCR-UHFFFAOYSA-N 1 1 452.599 3.648 50 0 JHAAMO Cc1ccc(Oc2ccc(NC(=O)CN3CCC[N@@H+](CC(=O)NC(C)(C)C)CC3)cc2)cc1 ZINC000022803699 525473326 /nfs/dbraw/zinc/47/33/26/525473326.db2.gz PFDNFPKVXXGQCR-UHFFFAOYSA-N 1 1 452.599 3.648 50 0 JHAAMO COc1cccc(-c2cc3c(n(Cc4ccccn4)c2=O)CC[N@H+](Cc2ccc(CO)o2)C3)c1 ZINC000020453422 525711898 /nfs/dbraw/zinc/71/18/98/525711898.db2.gz HCKOYWTWGAZJNR-UHFFFAOYSA-N 1 1 457.530 3.611 50 0 JHAAMO COc1cccc(-c2cc3c(n(Cc4ccccn4)c2=O)CC[N@@H+](Cc2ccc(CO)o2)C3)c1 ZINC000020453422 525711903 /nfs/dbraw/zinc/71/19/03/525711903.db2.gz HCKOYWTWGAZJNR-UHFFFAOYSA-N 1 1 457.530 3.611 50 0 JHAAMO Cc1c2cnn(CC(=O)NCCC[N@H+](C)C3CCCCC3)c(=O)c2c(C)n1Cc1ccc(C)cc1 ZINC000020417173 525994040 /nfs/dbraw/zinc/99/40/40/525994040.db2.gz QPMFQJHBGPGGSX-UHFFFAOYSA-N 1 1 477.653 3.942 50 0 JHAAMO O=C([C@@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035483043 526469989 /nfs/dbraw/zinc/46/99/89/526469989.db2.gz ACEARZTYPJCQNL-HSZRJFAPSA-N 1 1 459.569 3.844 50 0 JHAAMO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000022793249 526767718 /nfs/dbraw/zinc/76/77/18/526767718.db2.gz WEDLGWXNAXLIHG-UHFFFAOYSA-N 1 1 456.590 3.841 50 0 JHAAMO O=C(CN1C[C@@H](c2ccccc2)CC1=O)NCC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000014968000 526817946 /nfs/dbraw/zinc/81/79/46/526817946.db2.gz HNFCHLYAPHJZKG-WNCULLNHSA-N 1 1 487.575 3.894 50 0 JHAAMO O=C(CN1C[C@@H](c2ccccc2)CC1=O)NCC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000014968000 526817951 /nfs/dbraw/zinc/81/79/51/526817951.db2.gz HNFCHLYAPHJZKG-WNCULLNHSA-N 1 1 487.575 3.894 50 0 JHAAMO O=C1N(CCCc2cccnc2)C(=O)C2(CC[NH+](Cc3nccs3)CC2)N1Cc1ccccc1 ZINC000014753973 527038179 /nfs/dbraw/zinc/03/81/79/527038179.db2.gz OHNMUAFRUVOLPL-UHFFFAOYSA-N 1 1 475.618 3.970 50 0 JHAAMO 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C[N@@H+](CCNC(=O)CCCN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21)C1CCCCC1 ZINC000009114932 554901677 /nfs/dbraw/zinc/90/16/77/554901677.db2.gz CIRAEKFUNKPLSG-XMMPIXPASA-N 1 1 450.583 3.709 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000009123929 554914754 /nfs/dbraw/zinc/91/47/54/554914754.db2.gz DUZBSLXGTCZLDT-KANGHSEISA-N 1 1 493.844 3.929 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000009123929 554914756 /nfs/dbraw/zinc/91/47/56/554914756.db2.gz DUZBSLXGTCZLDT-KANGHSEISA-N 1 1 493.844 3.929 50 0 JHAAMO COc1cccc(NC(=O)COc2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)c1 ZINC000009315632 555090737 /nfs/dbraw/zinc/09/07/37/555090737.db2.gz QYHXAXPCDDECGX-HSZRJFAPSA-N 1 1 459.546 3.717 50 0 JHAAMO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CC[N@H+]1CCN(c2cccc(OC)c2)[C@@H](C)C1 ZINC000009348943 555115310 /nfs/dbraw/zinc/11/53/10/555115310.db2.gz HSOCWKNBCAPUHR-SFHVURJKSA-N 1 1 464.566 3.811 50 0 JHAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000009377266 555138612 /nfs/dbraw/zinc/13/86/12/555138612.db2.gz VMMINZFOCZKKRF-NRFANRHFSA-N 1 1 488.009 3.978 50 0 JHAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000009466004 555241344 /nfs/dbraw/zinc/24/13/44/555241344.db2.gz MCSZMSWZFKBJLL-SFHVURJKSA-N 1 1 482.606 3.819 50 0 JHAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(F)cc4F)C3)n2)cc1OC ZINC000013367150 555389350 /nfs/dbraw/zinc/38/93/50/555389350.db2.gz ZUUQCIVWRBELSF-HNNXBMFYSA-N 1 1 458.465 3.883 50 0 JHAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(F)cc4F)C3)n2)cc1OC ZINC000013367150 555389356 /nfs/dbraw/zinc/38/93/56/555389356.db2.gz ZUUQCIVWRBELSF-HNNXBMFYSA-N 1 1 458.465 3.883 50 0 JHAAMO Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CC[NH+](C)CC2)c(C)s1 ZINC000009588093 555400240 /nfs/dbraw/zinc/40/02/40/555400240.db2.gz WOWOYTDFMRWILG-UHFFFAOYSA-N 1 1 476.668 3.544 50 0 JHAAMO CSc1ccc(C[N@H+](C)CC(=O)N(C)CC(=O)Nc2ccccc2Br)cc1 ZINC000009593930 555409617 /nfs/dbraw/zinc/40/96/17/555409617.db2.gz UKTDUPSSKFNFRG-UHFFFAOYSA-N 1 1 450.402 3.700 50 0 JHAAMO CSc1ccc(C[N@@H+](C)CC(=O)N(C)CC(=O)Nc2ccccc2Br)cc1 ZINC000009593930 555409621 /nfs/dbraw/zinc/40/96/21/555409621.db2.gz UKTDUPSSKFNFRG-UHFFFAOYSA-N 1 1 450.402 3.700 50 0 JHAAMO CC[C@@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl ZINC000009692320 555419068 /nfs/dbraw/zinc/41/90/68/555419068.db2.gz ZMBJSXXUJSGJRD-MRXNPFEDSA-N 1 1 464.397 3.553 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl ZINC000009692320 555419069 /nfs/dbraw/zinc/41/90/69/555419069.db2.gz ZMBJSXXUJSGJRD-MRXNPFEDSA-N 1 1 464.397 3.553 50 0 JHAAMO COC(=O)c1ccc(CN2CC[C@H]([NH+]3CCN([C@@H]4CCc5ccccc5C4)CC3)CCC2=O)cc1 ZINC000019938884 555557238 /nfs/dbraw/zinc/55/72/38/555557238.db2.gz TVZFFLROFCOLCE-KAYWLYCHSA-N 1 1 475.633 3.529 50 0 JHAAMO COc1cc(C(C)=O)ccc1OCCOCC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000013689969 555583481 /nfs/dbraw/zinc/58/34/81/555583481.db2.gz CCNYHLOLXXPCGG-UHFFFAOYSA-N 1 1 455.580 3.725 50 0 JHAAMO CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)ccc1C ZINC000014095056 555687648 /nfs/dbraw/zinc/68/76/48/555687648.db2.gz CLQXTOXEQSYPCQ-NRFANRHFSA-N 1 1 455.580 3.836 50 0 JHAAMO CN1CC[NH+](CCCNC(=O)CN2C(=O)/C(=C\c3ccc(Cl)cc3)Sc3ccccc32)CC1 ZINC000020181378 555688284 /nfs/dbraw/zinc/68/82/84/555688284.db2.gz BUAYFINLCXSUMR-HAVVHWLPSA-N 1 1 485.053 3.574 50 0 JHAAMO CCN1CC[NH+](CCCNC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)CC1 ZINC000020182327 555689575 /nfs/dbraw/zinc/68/95/75/555689575.db2.gz DVURXDOFPGXDKY-UHFFFAOYSA-N 1 1 477.653 3.756 50 0 JHAAMO COc1ccc(-n2c3ccccc3nc(CCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2=O)cc1 ZINC000014227804 555735416 /nfs/dbraw/zinc/73/54/16/555735416.db2.gz JPSBXVWKPDLGGY-JOCHJYFZSA-N 1 1 482.584 3.718 50 0 JHAAMO O=C(CSc1ncccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc2c(c1)OCO2 ZINC000014238091 555740099 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NBGFLQSFSFMOKH-UHFFFAOYSA-N 1 1 495.580 3.811 50 0 JHAAMO O=C(c1cccc(F)c1F)N1CCOc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2C1 ZINC000011909791 555856740 /nfs/dbraw/zinc/85/67/40/555856740.db2.gz NFARHNVDXLJKDL-UHFFFAOYSA-N 1 1 464.516 3.717 50 0 JHAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(Br)c3c(c2OC)OCO3)CC[N@H+]1C ZINC000021948348 555857577 /nfs/dbraw/zinc/85/75/77/555857577.db2.gz PLMUFLAOTAHIIZ-SJORKVTESA-N 1 1 492.322 3.644 50 0 in-vivo JHAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(Br)c3c(c2OC)OCO3)CC[N@@H+]1C ZINC000021948348 555857580 /nfs/dbraw/zinc/85/75/80/555857580.db2.gz PLMUFLAOTAHIIZ-SJORKVTESA-N 1 1 492.322 3.644 50 0 in-vivo JHAAMO CCn1c(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000022014959 555862045 /nfs/dbraw/zinc/86/20/45/555862045.db2.gz NNUWHFZHMSKDPM-UHFFFAOYSA-N 1 1 484.622 3.980 50 0 JHAAMO O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000022024839 555863839 /nfs/dbraw/zinc/86/38/39/555863839.db2.gz YDFOALTUUAYFIV-DEOSSOPVSA-N 1 1 472.614 3.915 50 0 JHAAMO COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3CCc3cccc(F)c3)C2)c(OC)c1OC ZINC000015070846 555870523 /nfs/dbraw/zinc/87/05/23/555870523.db2.gz KZHFWGINBGVPSS-KNQAVFIVSA-N 1 1 456.558 3.907 50 0 JHAAMO Cc1ccc(C[C@]2(CCC(=O)N3CCC[N@H+](Cc4cccc(F)c4)CC3)CCC(=O)N2)cc1 ZINC000012133979 555912708 /nfs/dbraw/zinc/91/27/08/555912708.db2.gz LQUOWWIDSIJFJL-HHHXNRCGSA-N 1 1 451.586 3.840 50 0 JHAAMO Cc1ccc(C[C@]2(CCC(=O)N3CCC[N@@H+](Cc4cccc(F)c4)CC3)CCC(=O)N2)cc1 ZINC000012133979 555912711 /nfs/dbraw/zinc/91/27/11/555912711.db2.gz LQUOWWIDSIJFJL-HHHXNRCGSA-N 1 1 451.586 3.840 50 0 JHAAMO CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2ccc(F)cc2s1 ZINC000012140840 555919710 /nfs/dbraw/zinc/91/97/10/555919710.db2.gz NLQDHWIUWSPPEA-UHFFFAOYSA-N 1 1 463.600 3.974 50 0 JHAAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000015647412 555921969 /nfs/dbraw/zinc/92/19/69/555921969.db2.gz YWHMNBBUXYINSQ-MDWZMJQESA-N 1 1 491.057 3.774 50 0 JHAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)NCc4ccccc4Cl)C3)n2)cc1OC ZINC000015726174 555963525 /nfs/dbraw/zinc/96/35/25/555963525.db2.gz MYFBIUVBTMFLNU-GOSISDBHSA-N 1 1 470.957 3.936 50 0 JHAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)NCc4ccccc4Cl)C3)n2)cc1OC ZINC000015726174 555963530 /nfs/dbraw/zinc/96/35/30/555963530.db2.gz MYFBIUVBTMFLNU-GOSISDBHSA-N 1 1 470.957 3.936 50 0 JHAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)NCc4ccccc4Cl)C3)n2)cc1OC ZINC000015726177 555963602 /nfs/dbraw/zinc/96/36/02/555963602.db2.gz MYFBIUVBTMFLNU-SFHVURJKSA-N 1 1 470.957 3.936 50 0 JHAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)NCc4ccccc4Cl)C3)n2)cc1OC ZINC000015726177 555963604 /nfs/dbraw/zinc/96/36/04/555963604.db2.gz MYFBIUVBTMFLNU-SFHVURJKSA-N 1 1 470.957 3.936 50 0 JHAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCCc4ccc(C)cc4)CC3)n2)cc1OC ZINC000015726425 555964754 /nfs/dbraw/zinc/96/47/54/555964754.db2.gz NMHMCLDBFLDCLH-UHFFFAOYSA-N 1 1 464.566 3.633 50 0 JHAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCc4ccccc4Cl)CC3)n2)cc1OC ZINC000015726412 555964864 /nfs/dbraw/zinc/96/48/64/555964864.db2.gz LFCFNHFIKGQXIH-UHFFFAOYSA-N 1 1 470.957 3.936 50 0 JHAAMO O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CC[NH+](Cc2cccs2)CC1 ZINC000022919209 555973376 /nfs/dbraw/zinc/97/33/76/555973376.db2.gz HTARVDVLRAYMNC-SANMLTNESA-N 1 1 460.603 3.513 50 0 JHAAMO CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)ccc21 ZINC000022922060 555975779 /nfs/dbraw/zinc/97/57/79/555975779.db2.gz BDTBYDSKGKTRQV-OAQYLSRUSA-N 1 1 475.637 3.772 50 0 JHAAMO CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)ccc21 ZINC000022922060 555975782 /nfs/dbraw/zinc/97/57/82/555975782.db2.gz BDTBYDSKGKTRQV-OAQYLSRUSA-N 1 1 475.637 3.772 50 0 JHAAMO COc1ccc(COC[C@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000022923933 555976548 /nfs/dbraw/zinc/97/65/48/555976548.db2.gz XNGCNPVJTCOMKG-AREMUKBSSA-N 1 1 476.617 3.989 50 0 JHAAMO CC(C)n1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000023108690 556009576 /nfs/dbraw/zinc/00/95/76/556009576.db2.gz NXDXEUVJCRWLNT-UHFFFAOYSA-N 1 1 455.562 3.678 50 0 JHAAMO Cc1ccc(CNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000023181086 556027543 /nfs/dbraw/zinc/02/75/43/556027543.db2.gz HGLRDTXLZTWWLJ-BWKNWUBXSA-N 1 1 476.646 3.741 50 0 JHAAMO Cc1cc(I)ccc1NC(=O)C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012554556 556039247 /nfs/dbraw/zinc/03/92/47/556039247.db2.gz DYCWVYGGDCFLDL-UHFFFAOYSA-N 1 1 479.362 3.507 50 0 JHAAMO Cc1cc(I)ccc1NC(=O)C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012554556 556039249 /nfs/dbraw/zinc/03/92/49/556039249.db2.gz DYCWVYGGDCFLDL-UHFFFAOYSA-N 1 1 479.362 3.507 50 0 JHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000015864568 556039950 /nfs/dbraw/zinc/03/99/50/556039950.db2.gz WYFOMVBIDRYCGG-MRXNPFEDSA-N 1 1 478.460 3.785 50 0 JHAAMO O=C(CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1)NCCC[NH+]1CCOCC1 ZINC000015869768 556049267 /nfs/dbraw/zinc/04/92/67/556049267.db2.gz YXMKKADFWCABCP-UHFFFAOYSA-N 1 1 490.604 3.576 50 0 JHAAMO COc1cc2c(c(OC)c1OC)-c1ccc(NCC[NH+]3CCCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000012655760 556098716 /nfs/dbraw/zinc/09/87/16/556098716.db2.gz NRJBIAWOSWKPNT-QFIPXVFZSA-N 1 1 495.620 3.761 50 0 biogenic JHAAMO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000016009601 556108061 /nfs/dbraw/zinc/10/80/61/556108061.db2.gz WHNFAJLKJUWXOF-DVSDUFGPSA-N 1 1 486.753 3.534 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016009601 556108063 /nfs/dbraw/zinc/10/80/63/556108063.db2.gz WHNFAJLKJUWXOF-DVSDUFGPSA-N 1 1 486.753 3.534 50 0 JHAAMO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016012230 556111311 /nfs/dbraw/zinc/11/13/11/556111311.db2.gz RDYQNMPUQMWPOL-UAKAABGRSA-N 1 1 470.356 3.987 50 0 JHAAMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000016033647 556117682 /nfs/dbraw/zinc/11/76/82/556117682.db2.gz NADAMMMMTDIMII-IMIIHFCZSA-N 1 1 457.917 3.924 50 0 JHAAMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016033647 556117684 /nfs/dbraw/zinc/11/76/84/556117684.db2.gz NADAMMMMTDIMII-IMIIHFCZSA-N 1 1 457.917 3.924 50 0 JHAAMO Cc1cc(I)ccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012979006 556171707 /nfs/dbraw/zinc/17/17/07/556171707.db2.gz WTHRSTGCNDHWMD-INIZCTEOSA-N 1 1 477.346 3.889 50 0 JHAAMO Cc1cc(I)ccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012979006 556171712 /nfs/dbraw/zinc/17/17/12/556171712.db2.gz WTHRSTGCNDHWMD-INIZCTEOSA-N 1 1 477.346 3.889 50 0 JHAAMO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[NH2+][C@H](C)c1ccccc1Cl ZINC000013040150 556242594 /nfs/dbraw/zinc/24/25/94/556242594.db2.gz SSCGTDYDTOGKDU-CYBMUJFWSA-N 1 1 451.976 3.878 50 0 JHAAMO CCOC(=O)C1CC[NH+]([C@@H](c2ccc(Cl)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000017296914 556252200 /nfs/dbraw/zinc/25/22/00/556252200.db2.gz DUKCVBPBGBGUQH-QFIPXVFZSA-N 1 1 462.974 3.527 50 0 JHAAMO COc1ccc(-c2cc3ncnc(N4CCC[N@H+](CC(=O)NC(C)(C)C)CC4)c3s2)cc1 ZINC000013128285 556347055 /nfs/dbraw/zinc/34/70/55/556347055.db2.gz ZGTDTQDUHYGISW-UHFFFAOYSA-N 1 1 453.612 3.794 50 0 JHAAMO COc1ccc(-c2cc3ncnc(N4CCC[N@@H+](CC(=O)NC(C)(C)C)CC4)c3s2)cc1 ZINC000013128285 556347059 /nfs/dbraw/zinc/34/70/59/556347059.db2.gz ZGTDTQDUHYGISW-UHFFFAOYSA-N 1 1 453.612 3.794 50 0 JHAAMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3cccc(NC(=O)c4cccnc4)c3)cc2)C[C@H](C)O1 ZINC000029712447 556355513 /nfs/dbraw/zinc/35/55/13/556355513.db2.gz XZKXWALYHOVBBD-PMACEKPBSA-N 1 1 458.562 3.873 50 0 JHAAMO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)C1 ZINC000029714444 556355607 /nfs/dbraw/zinc/35/56/07/556355607.db2.gz QLBQAEAUCIZTFW-IBGZPJMESA-N 1 1 459.384 3.767 50 0 JHAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)C1 ZINC000029714444 556355611 /nfs/dbraw/zinc/35/56/11/556355611.db2.gz QLBQAEAUCIZTFW-IBGZPJMESA-N 1 1 459.384 3.767 50 0 JHAAMO COc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)C2([NH+]4CCOCC4)CCCCC2)CC3)cc1Cl ZINC000019741593 556364538 /nfs/dbraw/zinc/36/45/38/556364538.db2.gz RPHWMSOIJHPRSY-HXUWFJFHSA-N 1 1 490.044 3.951 50 0 JHAAMO CCOc1cc(CNC[C@H](Cc2ccccc2)[NH+](CC)CC)ccc1O[C@@H](C)C(=O)N(C)C ZINC000030902910 556387803 /nfs/dbraw/zinc/38/78/03/556387803.db2.gz YAXBBGQWVRKGLH-URXFXBBRSA-N 1 1 455.643 3.984 50 0 JHAAMO O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000031817591 556407815 /nfs/dbraw/zinc/40/78/15/556407815.db2.gz WOWCXVOKYYMRMT-DEOSSOPVSA-N 1 1 468.557 3.711 50 0 JHAAMO C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000032913226 556537749 /nfs/dbraw/zinc/53/77/49/556537749.db2.gz CFAJZEHTRRZESK-JOCHJYFZSA-N 1 1 456.590 3.761 50 0 JHAAMO COc1cc(OC)c(OC)cc1CN1CCOc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2C1 ZINC000020203180 563015832 /nfs/dbraw/zinc/01/58/32/563015832.db2.gz ZLWUTVKHDLCUBG-KDURUIRLSA-N 1 1 456.583 3.716 50 0 JHAAMO COc1cc(OC)c(OC)cc1CN1CCOc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2C1 ZINC000020203180 563015833 /nfs/dbraw/zinc/01/58/33/563015833.db2.gz ZLWUTVKHDLCUBG-KDURUIRLSA-N 1 1 456.583 3.716 50 0 JHAAMO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000057315539 569597011 /nfs/dbraw/zinc/59/70/11/569597011.db2.gz ONDTVXKFLWFKAJ-UHFFFAOYSA-N 1 1 457.983 3.908 50 0 JHAAMO CC(C)c1ccc(CNC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@H+](Cc3ccccc3)CC2)cc1 ZINC000064836178 569636823 /nfs/dbraw/zinc/63/68/23/569636823.db2.gz QGSSGPDTXRXUJU-UHFFFAOYSA-N 1 1 469.589 3.645 50 0 JHAAMO COc1cc(NC(=O)N2CCC(CC(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)cc(OC)c1OC ZINC000064846835 569638858 /nfs/dbraw/zinc/63/88/58/569638858.db2.gz DHFCQHKLDZUDNP-UHFFFAOYSA-N 1 1 498.624 3.595 50 0 JHAAMO O=C(/C=C/c1ccccc1)Nc1ccc(N2CCC[N@H+](C[C@H](O)Cc3ccccc3)CC2)nc1 ZINC000034682263 569643795 /nfs/dbraw/zinc/64/37/95/569643795.db2.gz GOZVXQGZBNKJBZ-YZGDDWERSA-N 1 1 456.590 3.849 50 0 JHAAMO O=C(NCc1ccccc1)N1CCO[C@H](C[N@@H+]2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000034692185 569646472 /nfs/dbraw/zinc/64/64/72/569646472.db2.gz NEFYOTPMSGJGOZ-HHHXNRCGSA-N 1 1 486.616 3.598 50 0 JHAAMO O=C(NCc1ccccc1)N1CCO[C@H](C[N@H+]2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000034692185 569646473 /nfs/dbraw/zinc/64/64/73/569646473.db2.gz NEFYOTPMSGJGOZ-HHHXNRCGSA-N 1 1 486.616 3.598 50 0 JHAAMO COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1CN(Cc1cccs1)CC2 ZINC000034755626 569656087 /nfs/dbraw/zinc/65/60/87/569656087.db2.gz RCAAAMSKKOFWQK-UHFFFAOYSA-N 1 1 451.596 3.649 50 0 JHAAMO COC(=O)c1ccc2c(c1)nc(N1CC[NH+](Cc3ccccc3)CC1)n(-c1ccc(C)cc1)c2=O ZINC000065306610 569672171 /nfs/dbraw/zinc/67/21/71/569672171.db2.gz HIUUWXIEOZLWRY-UHFFFAOYSA-N 1 1 468.557 3.803 50 0 JHAAMO COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCCC[N@H+]4CCC[C@H](C)C4)CC3)[nH]c2c1 ZINC000035343058 569681418 /nfs/dbraw/zinc/68/14/18/569681418.db2.gz LOJMUAFEQYXWTO-PMACEKPBSA-N 1 1 468.642 3.903 50 0 JHAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1OC ZINC000067287439 569684590 /nfs/dbraw/zinc/68/45/90/569684590.db2.gz RNMBDLZEMRJVDN-VWLOTQADSA-N 1 1 463.578 3.821 50 0 JHAAMO Cc1ccc(N2CCN(C(=O)C[N@H+]3CC=C(c4cnn(-c5ccc(F)cc5)c4)CC3)CC2)cc1 ZINC000035404609 569691693 /nfs/dbraw/zinc/69/16/93/569691693.db2.gz MASARABDBMQDJG-UHFFFAOYSA-N 1 1 459.569 3.758 50 0 JHAAMO Cc1ccc(N2CCN(C(=O)C[N@@H+]3CC=C(c4cnn(-c5ccc(F)cc5)c4)CC3)CC2)cc1 ZINC000035404609 569691694 /nfs/dbraw/zinc/69/16/94/569691694.db2.gz MASARABDBMQDJG-UHFFFAOYSA-N 1 1 459.569 3.758 50 0 JHAAMO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000035414058 569691933 /nfs/dbraw/zinc/69/19/33/569691933.db2.gz WTEJSSCINYOOLW-OZXSUGGESA-N 1 1 470.573 3.723 50 0 JHAAMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)C[C@H](C)O1 ZINC000069982532 569694529 /nfs/dbraw/zinc/69/45/29/569694529.db2.gz CQSJGFJXTDQKOE-QKLQHJQFSA-N 1 1 469.586 3.849 50 0 JHAAMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)C[C@H](C)O1 ZINC000069982532 569694530 /nfs/dbraw/zinc/69/45/30/569694530.db2.gz CQSJGFJXTDQKOE-QKLQHJQFSA-N 1 1 469.586 3.849 50 0 JHAAMO COc1ccccc1OCC(=O)Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000085878187 569716057 /nfs/dbraw/zinc/71/60/57/569716057.db2.gz WZIFTIGJKPSISE-RBBKRZOGSA-N 1 1 451.567 3.707 50 0 biogenic JHAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C12CCCC2 ZINC000085879051 569716270 /nfs/dbraw/zinc/71/62/70/569716270.db2.gz ODHLAEZTVHTILR-TUACAJSNSA-N 1 1 453.627 3.566 50 0 biogenic JHAAMO O=C(CCNC(=O)c1cc(F)ccc1Br)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000095353010 569722772 /nfs/dbraw/zinc/72/27/72/569722772.db2.gz SRFWHYOVDHERIF-UHFFFAOYSA-N 1 1 499.384 3.601 50 0 JHAAMO CC[N@@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000035926758 569730027 /nfs/dbraw/zinc/73/00/27/569730027.db2.gz BJGTUMZEALGUDG-UHFFFAOYSA-N 1 1 481.000 3.800 50 0 JHAAMO C[NH+]1CCN(C(=O)[C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000036042300 569753922 /nfs/dbraw/zinc/75/39/22/569753922.db2.gz GFDINNABGIMJTP-LEWJYISDSA-N 1 1 479.930 3.989 50 0 JHAAMO Cn1cccc1[C@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000036341885 569764851 /nfs/dbraw/zinc/76/48/51/569764851.db2.gz HTNIDEXSJQVWBU-AREMUKBSSA-N 1 1 459.569 3.660 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000036344446 569767157 /nfs/dbraw/zinc/76/71/57/569767157.db2.gz VWVRUHJISYNBPY-GGAORHGYSA-N 1 1 477.561 3.677 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000036344446 569767158 /nfs/dbraw/zinc/76/71/58/569767158.db2.gz VWVRUHJISYNBPY-GGAORHGYSA-N 1 1 477.561 3.677 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccccc2C)C1 ZINC000036344915 569767391 /nfs/dbraw/zinc/76/73/91/569767391.db2.gz AHMPLEDHEHTMRD-BWKNWUBXSA-N 1 1 463.578 3.956 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccccc2C)C1 ZINC000036344915 569767392 /nfs/dbraw/zinc/76/73/92/569767392.db2.gz AHMPLEDHEHTMRD-BWKNWUBXSA-N 1 1 463.578 3.956 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@H](O)COCC ZINC000105002777 569849214 /nfs/dbraw/zinc/84/92/14/569849214.db2.gz GGJRHBRRDUBYHT-NZQKXSOJSA-N 1 1 460.640 3.671 50 0 JHAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H](O)COC(C)C ZINC000105003397 569849440 /nfs/dbraw/zinc/84/94/40/569849440.db2.gz SOIGPWWEAMUFPE-JTHBVZDNSA-N 1 1 474.667 3.978 50 0 JHAAMO O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000107177294 569856286 /nfs/dbraw/zinc/85/62/86/569856286.db2.gz JBBVYRMDYSDCJB-BREDGVMVSA-N 1 1 475.854 3.790 50 0 JHAAMO O=C(CN1C[C@H](c2ccccc2)CC1=O)NCC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000216102150 569877796 /nfs/dbraw/zinc/87/77/96/569877796.db2.gz HNFCHLYAPHJZKG-YIXXDRMTSA-N 1 1 487.575 3.894 50 0 JHAAMO O=C(CN1C[C@H](c2ccccc2)CC1=O)NCC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000216102150 569877797 /nfs/dbraw/zinc/87/77/97/569877797.db2.gz HNFCHLYAPHJZKG-YIXXDRMTSA-N 1 1 487.575 3.894 50 0 JHAAMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229894538 570041737 /nfs/dbraw/zinc/04/17/37/570041737.db2.gz RWSWEWMKANHCQA-AVJFOWIRSA-N 1 1 457.917 3.924 50 0 JHAAMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229894538 570041738 /nfs/dbraw/zinc/04/17/38/570041738.db2.gz RWSWEWMKANHCQA-AVJFOWIRSA-N 1 1 457.917 3.924 50 0 JHAAMO CCOC(=O)C1=C(CN(Cc2cccs2)C[C@H]2CCCO2)NC(=O)N[C@H]1c1ccccc1 ZINC000240444280 570052854 /nfs/dbraw/zinc/05/28/54/570052854.db2.gz FXELADFTKFVIHT-GCJKJVERSA-N 1 1 455.580 3.600 50 0 JHAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@H+]2CCCC[C@H]2C)[C@H]1c1cccs1 ZINC000245228620 570055732 /nfs/dbraw/zinc/05/57/32/570055732.db2.gz ZRINCYBFTGQYEB-YFXJRYMSSA-N 1 1 455.624 3.666 50 0 JHAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O ZINC000248113938 570074298 /nfs/dbraw/zinc/07/42/98/570074298.db2.gz UJPDBNVSNRGNTJ-XZCJXEOWSA-N 1 1 479.964 3.705 50 0 JHAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248329912 570077674 /nfs/dbraw/zinc/07/76/74/570077674.db2.gz DXTOYFRFQKMZLK-XMODTWTHSA-N 1 1 453.901 3.527 50 0 JHAAMO Cc1ncnc(C)c1C(=O)N1CCC([N@H+]2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@H](C)C2)CC1 ZINC000252495209 570082085 /nfs/dbraw/zinc/08/20/85/570082085.db2.gz ONOHCPCNQRWZLD-CQSZACIVSA-N 1 1 496.965 3.976 50 0 JHAAMO Cc1ncnc(C)c1C(=O)N1CCC([N@@H+]2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@H](C)C2)CC1 ZINC000252495209 570082086 /nfs/dbraw/zinc/08/20/86/570082086.db2.gz ONOHCPCNQRWZLD-CQSZACIVSA-N 1 1 496.965 3.976 50 0 JHAAMO C[C@@H](CNC(=O)C1CCCCC1)Oc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000299790134 570177042 /nfs/dbraw/zinc/17/70/42/570177042.db2.gz AHLZBELYYCGAKJ-QFIPXVFZSA-N 1 1 450.627 3.863 50 0 JHAAMO C[C@H](CNC(=O)C1CCCCC1)Oc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000299790113 570177065 /nfs/dbraw/zinc/17/70/65/570177065.db2.gz AHLZBELYYCGAKJ-JOCHJYFZSA-N 1 1 450.627 3.863 50 0 JHAAMO COc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ccc(N4CC[NH+](C)CC4)cc3)CC2)c1 ZINC000299800106 570177587 /nfs/dbraw/zinc/17/75/87/570177587.db2.gz UZQXCZWHWSPQQR-UHFFFAOYSA-N 1 1 459.594 3.857 50 0 JHAAMO CCOc1ccc([C@H](c2c(O)cc(C)n(CCOC)c2=O)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000008611912 123047046 /nfs/dbraw/zinc/04/70/46/123047046.db2.gz NOAQXVSVUPZXIJ-HHHXNRCGSA-N 1 1 495.595 3.958 50 0 JHAAMO CCOc1ccc([C@H](c2c(O)cc(C)n(CCOC)c2=O)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000008611917 123047116 /nfs/dbraw/zinc/04/71/16/123047116.db2.gz IFAFJLNDZZRADE-HHHXNRCGSA-N 1 1 495.595 3.958 50 0 JHAAMO COc1cccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000003670323 194357895 /nfs/dbraw/zinc/35/78/95/194357895.db2.gz ODQPJZSCQCVVOR-HHHXNRCGSA-N 1 1 474.561 3.531 50 0 JHAAMO CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000009908875 195019637 /nfs/dbraw/zinc/01/96/37/195019637.db2.gz CHNYJESHDIKSIE-QHCPKHFHSA-N 1 1 458.628 3.754 50 0 JHAAMO CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000009908875 195019639 /nfs/dbraw/zinc/01/96/39/195019639.db2.gz CHNYJESHDIKSIE-QHCPKHFHSA-N 1 1 458.628 3.754 50 0 JHAAMO COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000012678358 195083375 /nfs/dbraw/zinc/08/33/75/195083375.db2.gz XMLPESKJIXXFIR-QFIPXVFZSA-N 1 1 493.629 3.833 50 0 JHAAMO Cc1ccc(C(=O)O[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1NC(=O)c1ccco1 ZINC000012720803 195097342 /nfs/dbraw/zinc/09/73/42/195097342.db2.gz JLHRZRGZFCGVHG-FQEVSTJZSA-N 1 1 475.545 3.730 50 0 JHAAMO Cc1c2occ(-c3ccc(F)cc3)c2cc2c(C)c(CC(=O)N3CC[NH+](CCO)CC3)c(=O)oc12 ZINC000020622591 195190387 /nfs/dbraw/zinc/19/03/87/195190387.db2.gz WZYMXCJWQCWAAY-UHFFFAOYSA-N 1 1 478.520 3.641 50 0 JHAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000021063140 195273458 /nfs/dbraw/zinc/27/34/58/195273458.db2.gz RGCNBGSOFQBYLB-HOTGVXAUSA-N 1 1 498.020 3.898 50 0 JHAAMO Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2C[C@H]3CCC[N@H+]3[C@]23C(=O)Nc2ccccc23)CC1 ZINC000057991846 195360974 /nfs/dbraw/zinc/36/09/74/195360974.db2.gz QJWNJKHSANGATK-DYRZZGSRSA-N 1 1 464.997 3.629 50 0 biogenic JHAAMO CCc1nc2ccc(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc2nc1CC ZINC000058080273 195364068 /nfs/dbraw/zinc/36/40/68/195364068.db2.gz YBWKOMCQJVUWOX-UHFFFAOYSA-N 1 1 452.002 3.960 50 0 JHAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000058085857 195364297 /nfs/dbraw/zinc/36/42/97/195364297.db2.gz JJAXLEWDBLIFSO-RTWAWAEBSA-N 1 1 464.031 3.760 50 0 JHAAMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1C ZINC000058169185 195370608 /nfs/dbraw/zinc/37/06/08/195370608.db2.gz CAMNNWYLONNASP-XMMPIXPASA-N 1 1 483.678 3.733 50 0 JHAAMO CCCN(C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058202975 195373571 /nfs/dbraw/zinc/37/35/71/195373571.db2.gz ISUJWOOALZWXGW-HSZRJFAPSA-N 1 1 455.624 3.526 50 0 JHAAMO CC(C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)CN1CCOCC1 ZINC000036307615 519653087 /nfs/dbraw/zinc/65/30/87/519653087.db2.gz RUEOZXQKAFKTDD-QHCPKHFHSA-N 1 1 482.600 3.922 50 0 JHAAMO CC(=O)Nc1ccc2nc(N3CCC(C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)CC3)cc(C)c2c1 ZINC000021704261 519734964 /nfs/dbraw/zinc/73/49/64/519734964.db2.gz AOZFXKNUCOMFOI-LJQANCHMSA-N 1 1 465.642 3.956 50 0 JHAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)Cc1ccc(F)cc1 ZINC000036249819 520094928 /nfs/dbraw/zinc/09/49/28/520094928.db2.gz AVHGRZSEYNQNKK-QHCPKHFHSA-N 1 1 469.557 3.717 50 0 JHAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)Cc1ccc(F)cc1 ZINC000036249819 520094939 /nfs/dbraw/zinc/09/49/39/520094939.db2.gz AVHGRZSEYNQNKK-QHCPKHFHSA-N 1 1 469.557 3.717 50 0 JHAAMO CCC(=O)Nc1nnc(SCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000012469671 521230319 /nfs/dbraw/zinc/23/03/19/521230319.db2.gz DGZPMZXHXWFFBY-UHFFFAOYSA-N 1 1 481.647 3.913 50 0 JHAAMO CCc1cccc(NC(=O)c2cnn3c2n(CC)c2c(c3=O)C[N@@H+](Cc3ccc(OC)cc3)CC2)c1 ZINC000064967812 521769371 /nfs/dbraw/zinc/76/93/71/521769371.db2.gz MYIDEPRTLVUHIZ-UHFFFAOYSA-N 1 1 485.588 3.898 50 0 JHAAMO CCc1cccc(NC(=O)c2cnn3c2n(CC)c2c(c3=O)C[N@H+](Cc3ccc(OC)cc3)CC2)c1 ZINC000064967812 521769380 /nfs/dbraw/zinc/76/93/80/521769380.db2.gz MYIDEPRTLVUHIZ-UHFFFAOYSA-N 1 1 485.588 3.898 50 0 JHAAMO COCCn1c(C)cc(O)c([C@H](c2cccc(F)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697718 522064006 /nfs/dbraw/zinc/06/40/06/522064006.db2.gz IZVQWBJFLJHGCV-VWLOTQADSA-N 1 1 469.532 3.699 50 0 JHAAMO COCCn1c(C)cc(O)c([C@@H](c2ccccc2OC)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022697620 522064430 /nfs/dbraw/zinc/06/44/30/522064430.db2.gz JAORGDXSRPHRQH-AREMUKBSSA-N 1 1 481.568 3.568 50 0 JHAAMO COC(=O)c1sc2nc(C[N@@H+](C[C@H](O)COCc3ccccc3)C3CCCCC3)[nH]c(=O)c2c1C ZINC000036206962 522434222 /nfs/dbraw/zinc/43/42/22/522434222.db2.gz WDSWDYKMARBAFP-FQEVSTJZSA-N 1 1 499.633 3.792 50 0 JHAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](CCOC)C[C@H](O)COC ZINC000036303313 522638431 /nfs/dbraw/zinc/63/84/31/522638431.db2.gz WKNPKOMXLTYOPB-NRFANRHFSA-N 1 1 457.546 3.822 50 0 JHAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](CCOC)C[C@H](O)COC ZINC000036303313 522638440 /nfs/dbraw/zinc/63/84/40/522638440.db2.gz WKNPKOMXLTYOPB-NRFANRHFSA-N 1 1 457.546 3.822 50 0 JHAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](CCOC)C[C@H](O)COC ZINC000036303087 522639140 /nfs/dbraw/zinc/63/91/40/522639140.db2.gz WZKYKHCTBFJUKF-QFIPXVFZSA-N 1 1 453.583 3.991 50 0 JHAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](CCOC)C[C@H](O)COC ZINC000036303087 522639146 /nfs/dbraw/zinc/63/91/46/522639146.db2.gz WZKYKHCTBFJUKF-QFIPXVFZSA-N 1 1 453.583 3.991 50 0 JHAAMO C[N@@H+](CCCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Cc1ccccc1 ZINC000065062029 522755547 /nfs/dbraw/zinc/75/55/47/522755547.db2.gz SOUQJNFSYGRKQU-UHFFFAOYSA-N 1 1 484.087 3.831 50 0 JHAAMO COCc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012245551 522899325 /nfs/dbraw/zinc/89/93/25/522899325.db2.gz XAWIXYWYVAKXBI-FQEVSTJZSA-N 1 1 486.551 3.619 50 0 JHAAMO COc1ccc(-c2cc(C[NH2+]CC3=NO[C@@H](Cc4cc5c(c(OC)c4OC)OCO5)C3)on2)cc1 ZINC000012371029 523108770 /nfs/dbraw/zinc/10/87/70/523108770.db2.gz HZFMUMSWZXBMMM-IBGZPJMESA-N 1 1 481.505 3.573 50 0 JHAAMO CCn1c(C)cc(O)c([C@H](c2cccc(OC)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022696900 523140817 /nfs/dbraw/zinc/14/08/17/523140817.db2.gz UGPIUNLQMYGXEC-VWLOTQADSA-N 1 1 451.542 3.942 50 0 JHAAMO CCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CC[NH+](Cc3cc(C)ccc3C)CC2)c1 ZINC000016839135 523486900 /nfs/dbraw/zinc/48/69/00/523486900.db2.gz PPYLMIDLMJPZQY-UHFFFAOYSA-N 1 1 469.589 3.734 50 0 JHAAMO Cn1cc(C[N@@H+](C)Cc2ccc(OC3CCN(C(=O)c4cn(C)c5ccccc5c4=O)CC3)cc2)cn1 ZINC000012279035 523514834 /nfs/dbraw/zinc/51/48/34/523514834.db2.gz WYLQMSHDLRGRBI-UHFFFAOYSA-N 1 1 499.615 3.588 50 0 JHAAMO COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CC[NH+](Cc2nccs2)CC3)cc1 ZINC000014744054 523945422 /nfs/dbraw/zinc/94/54/22/523945422.db2.gz NOORAIGCNLSCJN-UHFFFAOYSA-N 1 1 456.612 3.649 50 0 JHAAMO COc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccc(OC)cc2)cc1 ZINC000036102326 524014865 /nfs/dbraw/zinc/01/48/65/524014865.db2.gz AJVGICAOSCLQIU-NRFANRHFSA-N 1 1 451.519 3.875 50 0 JHAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2cccc(CN3c4ccccc4C(=O)N4CCC[C@@H]4C3=O)c2)C1 ZINC000035459442 524087840 /nfs/dbraw/zinc/08/78/40/524087840.db2.gz UZUOPSCSEHJPNP-HFZDXXHNSA-N 1 1 488.632 3.690 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000036311039 524103203 /nfs/dbraw/zinc/10/32/03/524103203.db2.gz VHQBMUYRVVWCNV-RCZVLFRGSA-N 1 1 469.674 3.776 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000035458420 524104037 /nfs/dbraw/zinc/10/40/37/524104037.db2.gz MIESAWWGTXONOP-QFQXNSOFSA-N 1 1 488.632 3.832 50 0 JHAAMO Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc32)cc1 ZINC000064971435 525117181 /nfs/dbraw/zinc/11/71/81/525117181.db2.gz PCIUWBXVWSBKTL-UHFFFAOYSA-N 1 1 497.599 3.725 50 0 JHAAMO COc1ccc([C@@H](CNS(=O)(=O)c2ccc(C)cc2Br)[NH+]2CCCC2)cc1 ZINC000048339800 525188168 /nfs/dbraw/zinc/18/81/68/525188168.db2.gz PSCFGDBOVXXBDS-LJQANCHMSA-N 1 1 453.402 3.882 50 0 JHAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1cnc(-c3ccccc3)s1)CC2)C1CCCCC1 ZINC000020449550 526465004 /nfs/dbraw/zinc/46/50/04/526465004.db2.gz XIRUTIAKFOTEKD-UHFFFAOYSA-N 1 1 464.639 3.699 50 0 JHAAMO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000065006345 526566564 /nfs/dbraw/zinc/56/65/64/526566564.db2.gz VPHYPZQNFJPYEI-UHFFFAOYSA-N 1 1 484.666 3.508 50 0 JHAAMO O=C(C[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)N1CCN(c2ncnc3ccccc32)CC1 ZINC000014965093 526823819 /nfs/dbraw/zinc/82/38/19/526823819.db2.gz HIWOPBZNQDJPLN-HHHXNRCGSA-N 1 1 479.584 3.914 50 0 JHAAMO O=C(C[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)N1CCN(c2ncnc3ccccc32)CC1 ZINC000014965093 526823825 /nfs/dbraw/zinc/82/38/25/526823825.db2.gz HIWOPBZNQDJPLN-HHHXNRCGSA-N 1 1 479.584 3.914 50 0 JHAAMO O=C(c1ccoc1)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000020454413 526854974 /nfs/dbraw/zinc/85/49/74/526854974.db2.gz UCFXCSNNTYLBSX-UHFFFAOYSA-N 1 1 460.578 3.676 50 0 JHAAMO Cc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000033282066 527181592 /nfs/dbraw/zinc/18/15/92/527181592.db2.gz NAGMQJUPUZVCOR-UHFFFAOYSA-N 1 1 457.376 3.660 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002447226 554214619 /nfs/dbraw/zinc/21/46/19/554214619.db2.gz CORTVJDNQYEVRF-FXKZBUDASA-N 1 1 474.319 3.872 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002447226 554214622 /nfs/dbraw/zinc/21/46/22/554214622.db2.gz CORTVJDNQYEVRF-FXKZBUDASA-N 1 1 474.319 3.872 50 0 JHAAMO Cc1c(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c(=O)n(-c2ccccc2)n1C ZINC000008861419 554758448 /nfs/dbraw/zinc/75/84/48/554758448.db2.gz ZZEOAIORGNRJBW-GOSISDBHSA-N 1 1 461.591 3.912 50 0 JHAAMO Cc1c(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c(=O)n(-c2ccccc2)n1C ZINC000008861419 554758452 /nfs/dbraw/zinc/75/84/52/554758452.db2.gz ZZEOAIORGNRJBW-GOSISDBHSA-N 1 1 461.591 3.912 50 0 JHAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000009076846 554888157 /nfs/dbraw/zinc/88/81/57/554888157.db2.gz UWWSPQFYEUIXJV-QHCPKHFHSA-N 1 1 451.617 3.742 50 0 JHAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000009076846 554888158 /nfs/dbraw/zinc/88/81/58/554888158.db2.gz UWWSPQFYEUIXJV-QHCPKHFHSA-N 1 1 451.617 3.742 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000009281892 555051253 /nfs/dbraw/zinc/05/12/53/555051253.db2.gz HXWFCGOGBAZVCZ-KKPNIWNPSA-N 1 1 457.917 3.924 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000009281892 555051257 /nfs/dbraw/zinc/05/12/57/555051257.db2.gz HXWFCGOGBAZVCZ-KKPNIWNPSA-N 1 1 457.917 3.924 50 0 JHAAMO CCC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2cc(C)ccc2C)cn3C)CC1 ZINC000009435442 555206713 /nfs/dbraw/zinc/20/67/13/555206713.db2.gz IJCMVDFEQQHWQH-UHFFFAOYSA-N 1 1 471.598 3.659 50 0 JHAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000009783758 555505295 /nfs/dbraw/zinc/50/52/95/555505295.db2.gz XTMVQOUQIRXGGY-UHFFFAOYSA-N 1 1 470.573 3.906 50 0 JHAAMO COc1ccc(C)cc1N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000019925575 555540881 /nfs/dbraw/zinc/54/08/81/555540881.db2.gz CKKMVEVQFLVPHD-UHFFFAOYSA-N 1 1 493.629 3.543 50 0 JHAAMO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]12 ZINC000013719830 555595541 /nfs/dbraw/zinc/59/55/41/555595541.db2.gz VNOWCQLTELBJEK-CHCBTGSZSA-N 1 1 494.526 3.515 50 0 JHAAMO COc1ccccc1[C@@H](CNC(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1)[NH+](C)C ZINC000010136958 555636171 /nfs/dbraw/zinc/63/61/71/555636171.db2.gz CZFIVPHNCHPGQT-HXUWFJFHSA-N 1 1 467.639 3.952 50 0 JHAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cc2c(s1)c1ccccc1oc2=O ZINC000020104905 555637718 /nfs/dbraw/zinc/63/77/18/555637718.db2.gz RVKQGYGARIKYOR-UHFFFAOYSA-N 1 1 461.587 3.945 50 0 JHAAMO COc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000010213382 555647186 /nfs/dbraw/zinc/64/71/86/555647186.db2.gz JIVWNSODSVEKSC-DEOSSOPVSA-N 1 1 493.629 3.520 50 0 JHAAMO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(I)c3)cc2Cl)CC1 ZINC000013946261 555658132 /nfs/dbraw/zinc/65/81/32/555658132.db2.gz HVXDZEWZTVPLBC-UHFFFAOYSA-N 1 1 455.727 3.949 50 0 JHAAMO C[C@H](C(=O)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccsc2)C1)c1n[nH]c(=O)c2ccccc21 ZINC000020149140 555664805 /nfs/dbraw/zinc/66/48/05/555664805.db2.gz QFFILLQJYTYKPT-SBUREZEXSA-N 1 1 474.586 3.840 50 0 JHAAMO C[C@H](C(=O)NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccsc2)C1)c1n[nH]c(=O)c2ccccc21 ZINC000020149140 555664806 /nfs/dbraw/zinc/66/48/06/555664806.db2.gz QFFILLQJYTYKPT-SBUREZEXSA-N 1 1 474.586 3.840 50 0 JHAAMO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020229885 555720221 /nfs/dbraw/zinc/72/02/21/555720221.db2.gz YBRWVLVVDXVCQY-GOSISDBHSA-N 1 1 494.592 3.507 50 0 JHAAMO CC(C)(CNc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cn1)[NH+]1CCOCC1 ZINC000014180737 555723519 /nfs/dbraw/zinc/72/35/19/555723519.db2.gz MYXUYZIPYGLFOF-UHFFFAOYSA-N 1 1 494.661 3.995 50 0 JHAAMO C[C@@H](NC(=O)C(=O)NCc1ccc(F)cc1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020288563 555758084 /nfs/dbraw/zinc/75/80/84/555758084.db2.gz AIALLAMHVBMJIY-NLFFAJNJSA-N 1 1 494.636 3.567 50 0 JHAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](Cc2cccc(-c4ccccc4C)c2)CC3)o1 ZINC000020598449 555840643 /nfs/dbraw/zinc/84/06/43/555840643.db2.gz JTCHGQTVGVOMPM-UHFFFAOYSA-N 1 1 485.588 3.981 50 0 JHAAMO Cc1ccccc1-n1cc(C[N@H+](C)C2CCN(c3ccc(C(=O)N4CCC[C@@H](O)C4)cc3)CC2)cn1 ZINC000011880447 555848686 /nfs/dbraw/zinc/84/86/86/555848686.db2.gz GMNPRKRDGMBZIN-HHHXNRCGSA-N 1 1 487.648 3.878 50 0 JHAAMO COc1ccccc1CNC(=O)c1c(OC)cc(=O)n2c1CC[N@H+]([C@H](C)CCc1ccccc1)CC2 ZINC000015005229 555849849 /nfs/dbraw/zinc/84/98/49/555849849.db2.gz OGXCPMLBECYYJW-OAQYLSRUSA-N 1 1 489.616 3.675 50 0 JHAAMO O[C@@H](COc1cccc2ccccc21)C[NH+]1CCN(C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000022289086 555917878 /nfs/dbraw/zinc/91/78/78/555917878.db2.gz VPQSSVNMVITGTF-RRPNLBNLSA-N 1 1 486.612 3.790 50 0 JHAAMO O[C@@H](COc1cccc2ccccc21)CN1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000022289086 555917880 /nfs/dbraw/zinc/91/78/80/555917880.db2.gz VPQSSVNMVITGTF-RRPNLBNLSA-N 1 1 486.612 3.790 50 0 JHAAMO CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2c(cccc2OC)s1 ZINC000012140859 555919701 /nfs/dbraw/zinc/91/97/01/555919701.db2.gz LITNEESCDPDDFA-UHFFFAOYSA-N 1 1 475.636 3.844 50 0 JHAAMO COCCSc1ncc(-c2cccc(OC)c2)c([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)C2)n1 ZINC000012190213 555937170 /nfs/dbraw/zinc/93/71/70/555937170.db2.gz KZRMPNOTYNFDKU-LEWJYISDSA-N 1 1 484.666 3.939 50 0 JHAAMO Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)N3CC[NH+](C4CCCCC4)CC3)c2)c1C ZINC000015729659 555970325 /nfs/dbraw/zinc/97/03/25/555970325.db2.gz WGYHPENWOUTMLE-UHFFFAOYSA-N 1 1 473.639 3.908 50 0 JHAAMO CC(C)c1ccc(OC[C@H](O)CN2CC[NH+](C[C@H](O)COc3ccc(C(C)C)cc3)CC2)cc1 ZINC000022916951 555970678 /nfs/dbraw/zinc/97/06/78/555970678.db2.gz NVIRMVZXDGZJGX-WMPKNSHKSA-N 1 1 470.654 3.731 50 0 JHAAMO CC(C)c1ccc(OC[C@H](O)C[NH+]2CCN(C[C@H](O)COc3ccc(C(C)C)cc3)CC2)cc1 ZINC000022916951 555970681 /nfs/dbraw/zinc/97/06/81/555970681.db2.gz NVIRMVZXDGZJGX-WMPKNSHKSA-N 1 1 470.654 3.731 50 0 JHAAMO CC(C)c1ccc(C[NH+]2CCN([C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000022919020 555972810 /nfs/dbraw/zinc/97/28/10/555972810.db2.gz BRYXYQKMJONHQS-QFIPXVFZSA-N 1 1 450.627 3.791 50 0 JHAAMO COc1ccc(-c2nc(C)c(C(=O)NCC3([NH+]4CCN(C)CC4)CCCCC3)s2)cc1OC ZINC000022935534 555988307 /nfs/dbraw/zinc/98/83/07/555988307.db2.gz XOXNCJUFKGAOIF-UHFFFAOYSA-N 1 1 472.655 3.816 50 0 JHAAMO COc1cccc(C[N@@H+]2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)c1OC ZINC000015779685 555998243 /nfs/dbraw/zinc/99/82/43/555998243.db2.gz AHNYYNGSCGNHET-UHFFFAOYSA-N 1 1 463.557 3.518 50 0 JHAAMO COc1cccc(C[N@H+]2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)c1OC ZINC000015779685 555998245 /nfs/dbraw/zinc/99/82/45/555998245.db2.gz AHNYYNGSCGNHET-UHFFFAOYSA-N 1 1 463.557 3.518 50 0 JHAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)nc(C)[nH+]2)cc1 ZINC000015838336 556021586 /nfs/dbraw/zinc/02/15/86/556021586.db2.gz VUEWJJAYQMXZIG-UHFFFAOYSA-N 1 1 455.518 3.906 50 0 JHAAMO Cc1ccc(CNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000023181078 556027515 /nfs/dbraw/zinc/02/75/15/556027515.db2.gz HGLRDTXLZTWWLJ-PXDATVDWSA-N 1 1 476.646 3.741 50 0 JHAAMO CCSc1ccccc1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CC[NH+](C)CC1 ZINC000012553661 556037524 /nfs/dbraw/zinc/03/75/24/556037524.db2.gz FFWYLHZPKSGYFB-UHFFFAOYSA-N 1 1 490.695 3.833 50 0 JHAAMO O=C(COc1c(F)c(F)c(F)c(F)c1F)Nc1ccc2[nH]cc(CC[NH+]3CCOCC3)c2c1 ZINC000023335070 556044356 /nfs/dbraw/zinc/04/43/56/556044356.db2.gz OGVDTWNFASFUOM-UHFFFAOYSA-N 1 1 469.410 3.756 50 0 JHAAMO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](CC)CC3)cc1 ZINC000015880178 556052256 /nfs/dbraw/zinc/05/22/56/556052256.db2.gz SPODOCAAGBLLPW-UHFFFAOYSA-N 1 1 450.630 3.584 50 0 JHAAMO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](CC)CC3)cc1 ZINC000015880178 556052259 /nfs/dbraw/zinc/05/22/59/556052259.db2.gz SPODOCAAGBLLPW-UHFFFAOYSA-N 1 1 450.630 3.584 50 0 JHAAMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3csc(Nc4ccc(Cl)c(Cl)c4)n3)CC2)CC1 ZINC000012628431 556092989 /nfs/dbraw/zinc/09/29/89/556092989.db2.gz HQXJXHUFFCZDHT-UHFFFAOYSA-N 1 1 482.437 3.820 50 0 JHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)c2ccccc2NC(=O)c2ccsc2)CC1 ZINC000023934724 556101501 /nfs/dbraw/zinc/10/15/01/556101501.db2.gz ZUFLIEVLEKZREL-UHFFFAOYSA-N 1 1 477.586 3.810 50 0 JHAAMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)cc3Br)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015996665 556103194 /nfs/dbraw/zinc/10/31/94/556103194.db2.gz SQMDTXRIWXMHHW-UGCAPWQASA-N 1 1 494.389 3.603 50 0 JHAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000214 556104687 /nfs/dbraw/zinc/10/46/87/556104687.db2.gz YLUQWJAHLLAJBJ-WYNJNVBPSA-N 1 1 451.526 3.888 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000016033613 556117652 /nfs/dbraw/zinc/11/76/52/556117652.db2.gz NVXIQRPWPCLIEH-KKPNIWNPSA-N 1 1 457.917 3.924 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016033613 556117653 /nfs/dbraw/zinc/11/76/53/556117653.db2.gz NVXIQRPWPCLIEH-KKPNIWNPSA-N 1 1 457.917 3.924 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000016033709 556118107 /nfs/dbraw/zinc/11/81/07/556118107.db2.gz KZUDYHWLXJBKJQ-RQXXJAGISA-N 1 1 460.292 3.564 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016033709 556118110 /nfs/dbraw/zinc/11/81/10/556118110.db2.gz KZUDYHWLXJBKJQ-RQXXJAGISA-N 1 1 460.292 3.564 50 0 JHAAMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)CCCn4c5ccccc5oc4=O)CC3)n2)cc1 ZINC000024823516 556156828 /nfs/dbraw/zinc/15/68/28/556156828.db2.gz WJMLMGXIGAZFGI-UHFFFAOYSA-N 1 1 489.576 3.510 50 0 JHAAMO O=C(Cn1cccc(C(F)(F)F)c1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025097873 556179377 /nfs/dbraw/zinc/17/93/77/556179377.db2.gz NKPOFFXFJNYXRD-UHFFFAOYSA-N 1 1 455.480 3.801 50 0 JHAAMO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000018019258 556277265 /nfs/dbraw/zinc/27/72/65/556277265.db2.gz SCOUUMZUEFCBNJ-JOCHJYFZSA-N 1 1 466.607 3.735 50 0 JHAAMO COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2cccc(C)c2)CC3)o1 ZINC000019334159 556342981 /nfs/dbraw/zinc/34/29/81/556342981.db2.gz QQBWSBYWDWGXGE-JOCHJYFZSA-N 1 1 465.598 3.901 50 0 JHAAMO C[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000019541997 556353259 /nfs/dbraw/zinc/35/32/59/556353259.db2.gz QBISMIQVAHSMCO-INIZCTEOSA-N 1 1 494.013 3.702 50 0 JHAAMO C[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000019541997 556353260 /nfs/dbraw/zinc/35/32/60/556353260.db2.gz QBISMIQVAHSMCO-INIZCTEOSA-N 1 1 494.013 3.702 50 0 JHAAMO CSCc1nnc(SCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000029644536 556354667 /nfs/dbraw/zinc/35/46/67/556354667.db2.gz NEXNUYHKOSLPBH-UHFFFAOYSA-N 1 1 454.621 3.959 50 0 JHAAMO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)C1 ZINC000029714447 556355632 /nfs/dbraw/zinc/35/56/32/556355632.db2.gz QLBQAEAUCIZTFW-LJQANCHMSA-N 1 1 459.384 3.767 50 0 JHAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)C1 ZINC000029714447 556355636 /nfs/dbraw/zinc/35/56/36/556355636.db2.gz QLBQAEAUCIZTFW-LJQANCHMSA-N 1 1 459.384 3.767 50 0 JHAAMO O=C(CNC(=O)c1ccco1)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000029808478 556357972 /nfs/dbraw/zinc/35/79/72/556357972.db2.gz ARSZDJSMWINOLY-UHFFFAOYSA-N 1 1 488.407 3.845 50 0 JHAAMO CCOc1cccc(C[N@H+]2CCc3c(C(=O)N4CCc5ccccc5C4)c(OC)cc(=O)n3CC2)c1 ZINC000019741105 556364015 /nfs/dbraw/zinc/36/40/15/556364015.db2.gz UHUBYVFMNXLQDO-UHFFFAOYSA-N 1 1 487.600 3.512 50 0 JHAAMO CCOc1cccc(C[N@@H+]2CCc3c(C(=O)N4CCc5ccccc5C4)c(OC)cc(=O)n3CC2)c1 ZINC000019741105 556364017 /nfs/dbraw/zinc/36/40/17/556364017.db2.gz UHUBYVFMNXLQDO-UHFFFAOYSA-N 1 1 487.600 3.512 50 0 JHAAMO O=C(Cc1ccc(F)cc1Cl)N1CCC2(C[C@@H]2C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019741714 556364591 /nfs/dbraw/zinc/36/45/91/556364591.db2.gz FAIMDQWQEHGWFL-HSZRJFAPSA-N 1 1 484.015 3.995 50 0 JHAAMO Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCC[NH+]4CCOCC4)c(Cl)c3n2)cc1 ZINC000019773642 556369161 /nfs/dbraw/zinc/36/91/61/556369161.db2.gz YCMHDAMEYCOIBT-UHFFFAOYSA-N 1 1 481.906 3.829 50 0 JHAAMO CCOc1cc(Br)cc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)oc21 ZINC000019799749 556376756 /nfs/dbraw/zinc/37/67/56/556376756.db2.gz FCWUHNGHDHUSIZ-UHFFFAOYSA-N 1 1 471.351 3.912 50 0 JHAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1F ZINC000019812687 556382642 /nfs/dbraw/zinc/38/26/42/556382642.db2.gz FJCYHWBWHAIGKX-UHFFFAOYSA-N 1 1 481.593 3.526 50 0 JHAAMO Cc1cccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000019811858 556382655 /nfs/dbraw/zinc/38/26/55/556382655.db2.gz YJDNCLFTVCBZFF-UHFFFAOYSA-N 1 1 463.603 3.535 50 0 JHAAMO Cc1cccc2c(=O)n(CC(=O)N3CC[NH+](Cc4ccc(-c5ccccc5)s4)CC3)cnc12 ZINC000031938420 556411658 /nfs/dbraw/zinc/41/16/58/556411658.db2.gz CPNBPUBTSPTQPL-UHFFFAOYSA-N 1 1 458.587 3.778 50 0 JHAAMO Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@@H]([NH2+]CC2(N4CCCCC4)CCCCC2)CC3)o1 ZINC000032578218 556445590 /nfs/dbraw/zinc/44/55/90/556445590.db2.gz HNTSFVSHRYMDRH-NRFANRHFSA-N 1 1 467.658 3.887 50 0 JHAAMO O=C(Cc1csc(N2CCCC2=O)n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032743647 556481868 /nfs/dbraw/zinc/48/18/68/556481868.db2.gz DMKIIKIUZXTDDP-UHFFFAOYSA-N 1 1 460.603 3.746 50 0 JHAAMO CN(C(=O)C[NH+]1CCC(OCc2ccccc2)CC1)c1ccccc1C(=O)NCc1ccco1 ZINC000032851172 556510952 /nfs/dbraw/zinc/51/09/52/556510952.db2.gz GWWVFRXJRWRLLY-UHFFFAOYSA-N 1 1 461.562 3.854 50 0 JHAAMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2)cc1 ZINC000057292147 569595908 /nfs/dbraw/zinc/59/59/08/569595908.db2.gz FZNXKZSZWVCQKL-SANMLTNESA-N 1 1 479.602 3.797 50 0 JHAAMO CCOc1ccc(C[N@H+](CC)Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)cc1OC ZINC000008725579 569600268 /nfs/dbraw/zinc/60/02/68/569600268.db2.gz STASUVJEIPPIGY-UHFFFAOYSA-N 1 1 474.627 3.736 50 0 JHAAMO CCOc1ccc(C[N@@H+](CC)Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)cc1OC ZINC000008725579 569600270 /nfs/dbraw/zinc/60/02/70/569600270.db2.gz STASUVJEIPPIGY-UHFFFAOYSA-N 1 1 474.627 3.736 50 0 JHAAMO COc1cc(OC)c(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)cc1Cl ZINC000033326830 569623893 /nfs/dbraw/zinc/62/38/93/569623893.db2.gz YDNTZYZIFSRRPV-UHFFFAOYSA-N 1 1 474.993 3.800 50 0 JHAAMO Cc1cc(Cl)ccc1NC(=O)c1cnn2c1n(C)c1c(c2=O)C[N@H+](Cc2ccccc2)CC1 ZINC000064836068 569636839 /nfs/dbraw/zinc/63/68/39/569636839.db2.gz OIVWZQUZBFTJJB-UHFFFAOYSA-N 1 1 461.953 3.805 50 0 JHAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCN(c4ccc(F)cc4)CC3)c2)C1 ZINC000034668746 569640721 /nfs/dbraw/zinc/64/07/21/569640721.db2.gz YVYGXVBMKRGNSG-QFIPXVFZSA-N 1 1 453.558 3.563 50 0 JHAAMO O=C(Nc1ccccc1)N1CCO[C@H](C[N@@H+]2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000034692181 569646494 /nfs/dbraw/zinc/64/64/94/569646494.db2.gz CPAYVDGAMZXYMO-AREMUKBSSA-N 1 1 472.589 3.921 50 0 JHAAMO O=C(Nc1ccccc1)N1CCO[C@H](C[N@H+]2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000034692181 569646495 /nfs/dbraw/zinc/64/64/95/569646495.db2.gz CPAYVDGAMZXYMO-AREMUKBSSA-N 1 1 472.589 3.921 50 0 JHAAMO COc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2c(F)cccc2F)CC3)c1 ZINC000034758640 569657389 /nfs/dbraw/zinc/65/73/89/569657389.db2.gz KUAYWEPUKRHFRL-UHFFFAOYSA-N 1 1 495.530 3.506 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000034888290 569669070 /nfs/dbraw/zinc/66/90/70/569669070.db2.gz CORTVJDNQYEVRF-ZHSNQQFMSA-N 1 1 474.319 3.872 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000034888290 569669071 /nfs/dbraw/zinc/66/90/71/569669071.db2.gz CORTVJDNQYEVRF-ZHSNQQFMSA-N 1 1 474.319 3.872 50 0 JHAAMO CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)ccc21 ZINC000034894764 569669413 /nfs/dbraw/zinc/66/94/13/569669413.db2.gz BVIWZKHWNYMUSK-UXHICEINSA-N 1 1 462.594 3.712 50 0 JHAAMO CCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[C@@H]2CCC[N@H+]2C)[C@H]1c1ccc2c(c1)OCO2 ZINC000034927949 569673366 /nfs/dbraw/zinc/67/33/66/569673366.db2.gz SPEXKTBBZDCMAL-PNTFMKQHSA-N 1 1 463.578 3.707 50 0 JHAAMO Cc1sc(=O)n(CC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1-c1ccc(F)cc1 ZINC000065494400 569675698 /nfs/dbraw/zinc/67/56/98/569675698.db2.gz MIEQXRUYLNLGNF-UHFFFAOYSA-N 1 1 454.502 3.974 50 0 JHAAMO CN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000065614789 569676236 /nfs/dbraw/zinc/67/62/36/569676236.db2.gz YESOVLCCPUXNQC-QHCPKHFHSA-N 1 1 489.447 3.662 50 0 JHAAMO CCOC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286968 569684317 /nfs/dbraw/zinc/68/43/17/569684317.db2.gz KOYBCBBXWLWGPQ-HSZRJFAPSA-N 1 1 472.655 3.530 50 0 JHAAMO Cc1ccc(N2CCN(C(=O)C[N@H+]3CC=C(c4cnn(-c5ccccc5)c4)CC3)CC2)c(C)c1 ZINC000035404262 569691634 /nfs/dbraw/zinc/69/16/34/569691634.db2.gz NLGORDLQTMRBPX-UHFFFAOYSA-N 1 1 455.606 3.927 50 0 JHAAMO Cc1ccc(N2CCN(C(=O)C[N@@H+]3CC=C(c4cnn(-c5ccccc5)c4)CC3)CC2)c(C)c1 ZINC000035404262 569691635 /nfs/dbraw/zinc/69/16/35/569691635.db2.gz NLGORDLQTMRBPX-UHFFFAOYSA-N 1 1 455.606 3.927 50 0 JHAAMO COC[C@H](C)n1c(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nnc1-c1cccc(OC)c1 ZINC000085410484 569710545 /nfs/dbraw/zinc/71/05/45/569710545.db2.gz LQYCWUDGSUVLCJ-IBGZPJMESA-N 1 1 495.649 3.841 50 0 JHAAMO COCCCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000035907817 569723474 /nfs/dbraw/zinc/72/34/74/569723474.db2.gz ZVOBCXGXGRHSIF-FYYLOGMGSA-N 1 1 461.528 3.721 50 0 JHAAMO CCn1c(SCc2cccc(C(=O)N3CC[NH+](C)CC3)c2)nnc1-c1cccc(OC)c1 ZINC000095925557 569730198 /nfs/dbraw/zinc/73/01/98/569730198.db2.gz SZYVQMCIMVVTFD-UHFFFAOYSA-N 1 1 451.596 3.654 50 0 JHAAMO COc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035941289 569731538 /nfs/dbraw/zinc/73/15/38/569731538.db2.gz HFJAWQAOGQPIPI-FTJBHMTQSA-N 1 1 468.557 3.557 50 0 JHAAMO COc1cc2c(cc1OC)C[N@@H+](CCC(=O)Nc1ccc(-n3cnc4ccccc43)nc1)CC2 ZINC000096223130 569739858 /nfs/dbraw/zinc/73/98/58/569739858.db2.gz MWUGKRJGEGMIOX-UHFFFAOYSA-N 1 1 457.534 3.825 50 0 JHAAMO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc(=O)c2cc(F)ccc2[nH]1 ZINC000096576686 569741532 /nfs/dbraw/zinc/74/15/32/569741532.db2.gz NQPMQGOOMKKKGQ-UHFFFAOYSA-N 1 1 476.474 3.628 50 0 JHAAMO COc1cccc([C@H]2CC(c3cccc(Br)c3)=NN2C(=O)CC[NH+]2CCN(C)CC2)c1 ZINC000097165247 569744821 /nfs/dbraw/zinc/74/48/21/569744821.db2.gz UBTUOBSLKLLIDT-HSZRJFAPSA-N 1 1 485.426 3.773 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036256903 569758765 /nfs/dbraw/zinc/75/87/65/569758765.db2.gz BKIXRZUYWAJKFU-PXDATVDWSA-N 1 1 472.649 3.523 50 0 JHAAMO Cc1ccc(Cc2c(C)nc(C)nc2N2CC[NH+](C[C@@H](O)COc3ccc(F)cc3)CC2)cc1 ZINC000036340514 569764040 /nfs/dbraw/zinc/76/40/40/569764040.db2.gz PUCKWAAIWHRJFT-XMMPIXPASA-N 1 1 464.585 3.694 50 0 JHAAMO COc1cccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@H](c3cc(C)ccc3C)C2)c1 ZINC000036342680 569766115 /nfs/dbraw/zinc/76/61/15/569766115.db2.gz RWFCFWZCCUHXSX-VWLOTQADSA-N 1 1 463.578 3.829 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036344186 569766897 /nfs/dbraw/zinc/76/68/97/569766897.db2.gz BPMLXUXMNBTWDY-DVECYGJZSA-N 1 1 497.567 3.796 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036344186 569766899 /nfs/dbraw/zinc/76/68/99/569766899.db2.gz BPMLXUXMNBTWDY-DVECYGJZSA-N 1 1 497.567 3.796 50 0 JHAAMO CCOC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346265 569769482 /nfs/dbraw/zinc/76/94/82/569769482.db2.gz WNZVATDJXKYULH-JOCHJYFZSA-N 1 1 457.546 3.958 50 0 JHAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346265 569769483 /nfs/dbraw/zinc/76/94/83/569769483.db2.gz WNZVATDJXKYULH-JOCHJYFZSA-N 1 1 457.546 3.958 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000037524699 569793314 /nfs/dbraw/zinc/79/33/14/569793314.db2.gz PMTAZGUSORNCQK-UHFFFAOYSA-N 1 1 488.554 3.882 50 0 JHAAMO CC(C)c1nc2c(c(=O)n1CC(=O)NCc1ccccc1Cl)CC[N@H+](Cc1ccccc1)C2 ZINC000101798660 569805220 /nfs/dbraw/zinc/80/52/20/569805220.db2.gz BXTOSIJQPWHANS-UHFFFAOYSA-N 1 1 464.997 3.895 50 0 JHAAMO CC(C)c1nc2c(c(=O)n1CC(=O)NCc1ccccc1Cl)CC[N@@H+](Cc1ccccc1)C2 ZINC000101798660 569805221 /nfs/dbraw/zinc/80/52/21/569805221.db2.gz BXTOSIJQPWHANS-UHFFFAOYSA-N 1 1 464.997 3.895 50 0 JHAAMO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1S(=O)(=O)N(C)C ZINC000040135396 569817436 /nfs/dbraw/zinc/81/74/36/569817436.db2.gz RXZAXHCDYAUQDV-LJQANCHMSA-N 1 1 454.596 3.545 50 0 JHAAMO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[C@@H]3CCC[N@H+]3C)N2[C@H]1c1cccc(OC)c1 ZINC000102763837 569822633 /nfs/dbraw/zinc/82/26/33/569822633.db2.gz GITPXSCZDNKMFI-CYFREDJKSA-N 1 1 498.649 3.824 50 0 JHAAMO CCC1=C(C(=O)OC)[C@@H](c2ccccc2F)N2C(CC(=O)N3CC[NH+](CC)CC3)=CSC2=N1 ZINC000102936651 569829207 /nfs/dbraw/zinc/82/92/07/569829207.db2.gz OHCPXFQLEVBYGQ-JOCHJYFZSA-N 1 1 472.586 3.518 50 0 JHAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000104200768 569842960 /nfs/dbraw/zinc/84/29/60/569842960.db2.gz VWDIUYYTYKKCMI-FTJBHMTQSA-N 1 1 479.621 3.779 50 0 JHAAMO C[C@@H](C(=O)NCC[N@H+]1Cc2ccccc2O[C@@H](c2ccsc2)C1)c1n[nH]c(=O)c2ccccc21 ZINC000104484974 569845898 /nfs/dbraw/zinc/84/58/98/569845898.db2.gz QFFILLQJYTYKPT-UZUQRXQVSA-N 1 1 474.586 3.840 50 0 JHAAMO C[C@@H](C(=O)NCC[N@@H+]1Cc2ccccc2O[C@@H](c2ccsc2)C1)c1n[nH]c(=O)c2ccccc21 ZINC000104484974 569845899 /nfs/dbraw/zinc/84/58/99/569845899.db2.gz QFFILLQJYTYKPT-UZUQRXQVSA-N 1 1 474.586 3.840 50 0 JHAAMO O=C([C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12)N1CCOCC1 ZINC000104916584 569846840 /nfs/dbraw/zinc/84/68/40/569846840.db2.gz ODVJQTXJJXDETI-GGAORHGYSA-N 1 1 477.502 3.566 50 0 JHAAMO O=C(NCC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12 ZINC000104915737 569846917 /nfs/dbraw/zinc/84/69/17/569846917.db2.gz QKPRARAMHIBNDS-ISKFKSNPSA-N 1 1 473.539 3.974 50 0 JHAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104983802 569848352 /nfs/dbraw/zinc/84/83/52/569848352.db2.gz FGCUDRVXLXAHGF-LEWJYISDSA-N 1 1 458.530 3.726 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000105000595 569849027 /nfs/dbraw/zinc/84/90/27/569849027.db2.gz REFUMEYOVRLNOT-OFVILXPXSA-N 1 1 472.649 3.523 50 0 JHAAMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1)[nH]c2=O ZINC000049580997 569849094 /nfs/dbraw/zinc/84/90/94/569849094.db2.gz JSLIBLWMSOFHLE-HSZRJFAPSA-N 1 1 473.529 3.801 50 0 JHAAMO CC(C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677259 569868559 /nfs/dbraw/zinc/86/85/59/569868559.db2.gz NAYZNTXGXVJWJY-GGAORHGYSA-N 1 1 461.528 3.972 50 0 JHAAMO COCCCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169678935 569869406 /nfs/dbraw/zinc/86/94/06/569869406.db2.gz ZVOBCXGXGRHSIF-GGAORHGYSA-N 1 1 461.528 3.721 50 0 JHAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)C12CCCC2 ZINC000170613716 569872893 /nfs/dbraw/zinc/87/28/93/569872893.db2.gz ODHLAEZTVHTILR-FGCOXFRFSA-N 1 1 453.627 3.566 50 0 JHAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1 ZINC000230076174 570044428 /nfs/dbraw/zinc/04/44/28/570044428.db2.gz AQRRKROYVNHXAM-PKTZIBPZSA-N 1 1 457.640 3.913 50 0 JHAAMO Cc1ccc(C(=O)N2CCN([C@@H](C(=O)NCCC[N@@H+]3CCCC[C@H]3C)C3CCCC3)CC2)cc1 ZINC000230105691 570044862 /nfs/dbraw/zinc/04/48/62/570044862.db2.gz WEODNKSSRYCEDO-ZEQKJWHPSA-N 1 1 468.686 3.692 50 0 JHAAMO CCC[C@@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F ZINC000245330119 570066515 /nfs/dbraw/zinc/06/65/15/570066515.db2.gz XDZKSLVFGKUZPL-DENIHFKCSA-N 1 1 478.630 3.892 50 0 JHAAMO CC(C)OC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC1CC1 ZINC000245330318 570066825 /nfs/dbraw/zinc/06/68/25/570066825.db2.gz XPQDTYLTAXJNPG-ZJSXRUAMSA-N 1 1 490.641 3.890 50 0 JHAAMO O[C@H](Cc1ccccc1)C[N@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000247747073 570069168 /nfs/dbraw/zinc/06/91/68/570069168.db2.gz SCIPOAUJWXGNCN-JWQCQUIFSA-N 1 1 495.595 3.902 50 0 JHAAMO Cc1ccccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000248083777 570073799 /nfs/dbraw/zinc/07/37/99/570073799.db2.gz DRWOXYHLJRPGPQ-RZDWVWPCSA-N 1 1 488.547 3.535 50 0 JHAAMO Cc1ccccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000248083777 570073800 /nfs/dbraw/zinc/07/38/00/570073800.db2.gz DRWOXYHLJRPGPQ-RZDWVWPCSA-N 1 1 488.547 3.535 50 0 JHAAMO COc1ccc(OC)c(N2C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)[N@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)c1 ZINC000248272791 570077295 /nfs/dbraw/zinc/07/72/95/570077295.db2.gz QVXXJVBSOVGTHV-GSPCLOLRSA-N 1 1 460.530 3.834 50 0 JHAAMO COc1ccc(OC)c(N2C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)[N@@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)c1 ZINC000248272791 570077296 /nfs/dbraw/zinc/07/72/96/570077296.db2.gz QVXXJVBSOVGTHV-GSPCLOLRSA-N 1 1 460.530 3.834 50 0 JHAAMO Cc1ccccc1N1C(=O)[C@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000253388500 570095513 /nfs/dbraw/zinc/09/55/13/570095513.db2.gz DRWOXYHLJRPGPQ-INVAMZEASA-N 1 1 488.547 3.535 50 0 JHAAMO Cc1ccccc1N1C(=O)[C@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000253388500 570095514 /nfs/dbraw/zinc/09/55/14/570095514.db2.gz DRWOXYHLJRPGPQ-INVAMZEASA-N 1 1 488.547 3.535 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000253389778 570095644 /nfs/dbraw/zinc/09/56/44/570095644.db2.gz CORTVJDNQYEVRF-YDSTWLSQSA-N 1 1 474.319 3.872 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000253389778 570095645 /nfs/dbraw/zinc/09/56/45/570095645.db2.gz CORTVJDNQYEVRF-YDSTWLSQSA-N 1 1 474.319 3.872 50 0 JHAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000253412203 570097790 /nfs/dbraw/zinc/09/77/90/570097790.db2.gz QERPGEQSBGGWBZ-RQADYFSKSA-N 1 1 472.589 3.524 50 0 biogenic JHAAMO C[C@@H](CNC(=O)c1cccc(F)c1)Oc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000299785426 570176696 /nfs/dbraw/zinc/17/66/96/570176696.db2.gz ZIAYAFVZAWNXNJ-NRFANRHFSA-N 1 1 462.569 3.736 50 0 JHAAMO C[C@H](CNC(=O)c1cccc(F)c1)Oc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000299785428 570176699 /nfs/dbraw/zinc/17/66/99/570176699.db2.gz ZIAYAFVZAWNXNJ-OAQYLSRUSA-N 1 1 462.569 3.736 50 0 JHAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cccc(OC)c2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000299800152 570177483 /nfs/dbraw/zinc/17/74/83/570177483.db2.gz SWQXVTUAISZGPS-UKILVPOCSA-N 1 1 481.637 3.670 50 0 JHAAMO COC(=O)CC[C@H]1CN(Cc2cccc(OC)c2)CC[C@H]1[NH+]1CCN(c2ccccc2OC)CC1 ZINC000299800152 570177484 /nfs/dbraw/zinc/17/74/84/570177484.db2.gz SWQXVTUAISZGPS-UKILVPOCSA-N 1 1 481.637 3.670 50 0 JHAAMO CNS(=O)(=O)c1ccc(CNc2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)s1 ZINC000009910219 195021242 /nfs/dbraw/zinc/02/12/42/195021242.db2.gz VETCBERLQCQYOQ-UHFFFAOYSA-N 1 1 491.708 3.994 50 0 JHAAMO C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)N(C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012743145 195101597 /nfs/dbraw/zinc/10/15/97/195101597.db2.gz PJQOWNRZTQLERB-KRWDZBQOSA-N 1 1 496.961 3.962 50 0 JHAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3nn(-c4ccccc4)c(=O)c4ccccc43)CC2)cc1 ZINC000012763258 195112255 /nfs/dbraw/zinc/11/22/55/195112255.db2.gz RQCJZHMZPYJTPA-UHFFFAOYSA-N 1 1 468.557 3.742 50 0 JHAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc(Cl)cc2F)CC1 ZINC000012793427 195133972 /nfs/dbraw/zinc/13/39/72/195133972.db2.gz VNSKURVGPBQFOX-UHFFFAOYSA-N 1 1 495.020 3.658 50 0 JHAAMO Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N3CC[NH+](CCc4ccccn4)CC3)c(C)c21 ZINC000020623804 195190661 /nfs/dbraw/zinc/19/06/61/195190661.db2.gz OTUXZOKDQZUOGZ-UHFFFAOYSA-N 1 1 459.546 3.789 50 0 JHAAMO COc1ccc(Br)cc1/C=C/C(=O)NCC(=O)N1CCC([N@@H+](C)C2CCCCC2)CC1 ZINC000020676779 195201426 /nfs/dbraw/zinc/20/14/26/195201426.db2.gz AVKLFVAZGUJPIV-DHZHZOJOSA-N 1 1 492.458 3.843 50 0 JHAAMO Cc1ccc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000021060554 195273619 /nfs/dbraw/zinc/27/36/19/195273619.db2.gz MVWAFFWEJWKTED-HDICACEKSA-N 1 1 477.602 3.553 50 0 JHAAMO Cc1ccc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000021060554 195273622 /nfs/dbraw/zinc/27/36/22/195273622.db2.gz MVWAFFWEJWKTED-HDICACEKSA-N 1 1 477.602 3.553 50 0 JHAAMO CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCC[N@@H+](C)Cc4ccccc4)C3)ccc21 ZINC000021938085 195337855 /nfs/dbraw/zinc/33/78/55/195337855.db2.gz NBDFPIPAZZHZKS-XMMPIXPASA-N 1 1 496.677 3.700 50 0 JHAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146506 518878441 /nfs/dbraw/zinc/87/84/41/518878441.db2.gz FGCUDRVXLXAHGF-RTWAWAEBSA-N 1 1 458.530 3.726 50 0 JHAAMO CC(C)CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COCc1ccco1 ZINC000036159379 519652559 /nfs/dbraw/zinc/65/25/59/519652559.db2.gz FBMIXQNLHOYFFG-QGZVFWFLSA-N 1 1 459.612 3.882 50 0 JHAAMO CC(C)CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COCc1ccco1 ZINC000036159379 519652562 /nfs/dbraw/zinc/65/25/62/519652562.db2.gz FBMIXQNLHOYFFG-QGZVFWFLSA-N 1 1 459.612 3.882 50 0 JHAAMO CC(C)CN(CC(C)C)C(=O)c1cc(NS(=O)(=O)c2ccccc2F)ccc1N1CC[NH2+]CC1 ZINC000033121209 519713399 /nfs/dbraw/zinc/71/33/99/519713399.db2.gz JRGNOFYMAGZRHZ-UHFFFAOYSA-N 1 1 490.645 3.790 50 0 JHAAMO CCCCC(=O)N(CCC[NH+]1CCOCC1)CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1 ZINC000016649695 519906334 /nfs/dbraw/zinc/90/63/34/519906334.db2.gz VSOKJZWPLDZEBY-UHFFFAOYSA-N 1 1 469.626 3.858 50 0 JHAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C(=O)OCC)cc1)CC[N@H+](Cc1ccccc1)C2 ZINC000035457082 521540638 /nfs/dbraw/zinc/54/06/38/521540638.db2.gz CDPJONKXUAFJJI-UHFFFAOYSA-N 1 1 488.588 3.570 50 0 JHAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C(=O)OCC)cc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000035457082 521540648 /nfs/dbraw/zinc/54/06/48/521540648.db2.gz CDPJONKXUAFJJI-UHFFFAOYSA-N 1 1 488.588 3.570 50 0 JHAAMO CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022792482 521637118 /nfs/dbraw/zinc/63/71/18/521637118.db2.gz FBGZFMJEYOEWRX-DHZHZOJOSA-N 1 1 481.666 3.528 50 0 JHAAMO CCC[NH+](CCC)CCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1 ZINC000020136282 521645227 /nfs/dbraw/zinc/64/52/27/521645227.db2.gz XDISFAJZSFPPPQ-UHFFFAOYSA-N 1 1 496.700 3.642 50 0 JHAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c2oc(C(=O)N3CCCCC3)c(C)c2cc(C)c1C ZINC000065010679 521659014 /nfs/dbraw/zinc/65/90/14/521659014.db2.gz GEQAQTZFGJXICR-IBGZPJMESA-N 1 1 461.628 3.747 50 0 JHAAMO CC[NH+]1CCN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000016448517 521663708 /nfs/dbraw/zinc/66/37/08/521663708.db2.gz NQXRFXVWZFLFMC-UHFFFAOYSA-N 1 1 470.422 3.661 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2cccc(NC(=O)c3nnc(COc4cc(C)cc(C)c4)s3)c2)CC1 ZINC000033027481 521671248 /nfs/dbraw/zinc/67/12/48/521671248.db2.gz CPQHEYJWOYBLAK-UHFFFAOYSA-N 1 1 479.606 3.764 50 0 JHAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(NC(=O)N3CCSc4nc(C)cc(C)c43)cc2)CC1 ZINC000021880352 521680980 /nfs/dbraw/zinc/68/09/80/521680980.db2.gz LHQGCHCJEXPZLA-UHFFFAOYSA-N 1 1 496.681 3.600 50 0 JHAAMO CCNC(=O)CCCOc1ccc(COC(=O)[C@@H]([NH3+])Cc2ccc(OC(C)(C)C)cc2)c(OC)c1 ZINC000086003242 521735232 /nfs/dbraw/zinc/73/52/32/521735232.db2.gz OMGIYKIEWMPSFV-QHCPKHFHSA-N 1 1 486.609 3.781 50 0 JHAAMO COC(=O)c1c(OCc2cccs2)cc(=O)n2c1CC[N@H+](Cc1cccn1-c1cccnc1)CC2 ZINC000020448715 521784068 /nfs/dbraw/zinc/78/40/68/521784068.db2.gz FLVRZCXUSLXDLW-UHFFFAOYSA-N 1 1 490.585 3.519 50 0 JHAAMO COC(=O)c1c(OCc2cccs2)cc(=O)n2c1CC[N@@H+](Cc1cccn1-c1cccnc1)CC2 ZINC000020448715 521784075 /nfs/dbraw/zinc/78/40/75/521784075.db2.gz FLVRZCXUSLXDLW-UHFFFAOYSA-N 1 1 490.585 3.519 50 0 JHAAMO COC(=O)c1cc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc(NC(=O)/C=C/c2ccccc2Cl)c1 ZINC000014954766 521851481 /nfs/dbraw/zinc/85/14/81/521851481.db2.gz VHNKUJRBONPQOA-NEQMZLFVSA-N 1 1 469.969 3.879 50 0 JHAAMO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2C[C@@H](c2cccnc2)N2CCCCC2)cc1 ZINC000012452681 522031625 /nfs/dbraw/zinc/03/16/25/522031625.db2.gz UTYVVLLHSHTOPV-DQEYMECFSA-N 1 1 464.610 3.566 50 0 JHAAMO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2C[C@@H](c2cccnc2)N2CCCCC2)cc1 ZINC000012452683 522032457 /nfs/dbraw/zinc/03/24/57/522032457.db2.gz UTYVVLLHSHTOPV-RPBOFIJWSA-N 1 1 464.610 3.566 50 0 JHAAMO COc1cc(CN2CC[N@@H+](Cc3c(OC)ccc4ccccc43)C[C@@H]2CCO)cc(OC)c1 ZINC000020453049 522383501 /nfs/dbraw/zinc/38/35/01/522383501.db2.gz RHMXUWVKIMHISP-QFIPXVFZSA-N 1 1 450.579 3.934 50 0 JHAAMO COC(=O)c1sc2nc(C[N@H+](CC(C)C)C[C@H](O)COc3ccc(Cl)cc3)[nH]c(=O)c2c1C ZINC000036207489 522435027 /nfs/dbraw/zinc/43/50/27/522435027.db2.gz RQKKFEAAHPTILB-INIZCTEOSA-N 1 1 494.013 3.631 50 0 JHAAMO COC(=O)c1sc2nc(C[N@@H+](CC(C)C)C[C@H](O)COc3ccc(Cl)cc3)[nH]c(=O)c2c1C ZINC000036207489 522435037 /nfs/dbraw/zinc/43/50/37/522435037.db2.gz RQKKFEAAHPTILB-INIZCTEOSA-N 1 1 494.013 3.631 50 0 JHAAMO COC(=O)c1sc2nc(C[N@H+](Cc3c(C)nn(C)c3C)C3CC3)ccc2c1NC(=O)[C@@H]1CCCO1 ZINC000014981070 522435474 /nfs/dbraw/zinc/43/54/74/522435474.db2.gz KCKHCNMQFXGRMC-FQEVSTJZSA-N 1 1 497.621 3.715 50 0 JHAAMO COC(=O)c1sc2nc(C[N@@H+](Cc3c(C)nn(C)c3C)C3CC3)ccc2c1NC(=O)[C@@H]1CCCO1 ZINC000014981070 522435488 /nfs/dbraw/zinc/43/54/88/522435488.db2.gz KCKHCNMQFXGRMC-FQEVSTJZSA-N 1 1 497.621 3.715 50 0 JHAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](CCOC)C[C@@H](O)COC ZINC000036303316 522639680 /nfs/dbraw/zinc/63/96/80/522639680.db2.gz WKNPKOMXLTYOPB-OAQYLSRUSA-N 1 1 457.546 3.822 50 0 JHAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](CCOC)C[C@@H](O)COC ZINC000036303316 522639690 /nfs/dbraw/zinc/63/96/90/522639690.db2.gz WKNPKOMXLTYOPB-OAQYLSRUSA-N 1 1 457.546 3.822 50 0 JHAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](CCOC)C[C@H](O)COC ZINC000036302730 522642901 /nfs/dbraw/zinc/64/29/01/522642901.db2.gz XCHCLBOSSYMLCE-NRFANRHFSA-N 1 1 469.582 3.691 50 0 JHAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](CCOC)C[C@H](O)COC ZINC000036302730 522642910 /nfs/dbraw/zinc/64/29/10/522642910.db2.gz XCHCLBOSSYMLCE-NRFANRHFSA-N 1 1 469.582 3.691 50 0 JHAAMO C[N@@H+](CCNC(=O)c1ccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)cc1)C1CCCCC1 ZINC000035459266 522861495 /nfs/dbraw/zinc/86/14/95/522861495.db2.gz OXIQYWGVPXUCDD-AREMUKBSSA-N 1 1 488.632 3.832 50 0 JHAAMO CCn1c(C)cc(O)c([C@@H](c2cccc(OC)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022696903 523139118 /nfs/dbraw/zinc/13/91/18/523139118.db2.gz UGPIUNLQMYGXEC-RUZDIDTESA-N 1 1 451.542 3.942 50 0 JHAAMO CCn1c(C)cc(O)c([C@H](c2cccc(OC)c2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022696895 523141077 /nfs/dbraw/zinc/14/10/77/523141077.db2.gz JSFDBKQWARFDDV-VWLOTQADSA-N 1 1 451.542 3.942 50 0 JHAAMO CCn1c2c(C(=O)Nc3cccc(C(C)=O)c3)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000064967811 523254818 /nfs/dbraw/zinc/25/48/18/523254818.db2.gz QTVSYMRQXZZQOM-UHFFFAOYSA-N 1 1 499.571 3.538 50 0 JHAAMO CCn1c2c(C(=O)Nc3cccc(C(C)=O)c3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000064967811 523254825 /nfs/dbraw/zinc/25/48/25/523254825.db2.gz QTVSYMRQXZZQOM-UHFFFAOYSA-N 1 1 499.571 3.538 50 0 JHAAMO COCCC[N@@H+](Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[nH]1)C[C@H](O)COC(C)C ZINC000036206422 523270116 /nfs/dbraw/zinc/27/01/16/523270116.db2.gz XXKHBGHDXNXLQR-SFHVURJKSA-N 1 1 480.030 3.929 50 0 JHAAMO COCCC[N@H+](Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[nH]1)C[C@H](O)COC(C)C ZINC000036206422 523270123 /nfs/dbraw/zinc/27/01/23/523270123.db2.gz XXKHBGHDXNXLQR-SFHVURJKSA-N 1 1 480.030 3.929 50 0 JHAAMO COc1ccc(C)cc1S(=O)(=O)N1CCN(c2nc(Nc3ccc(C)cc3)cc(C)[nH+]2)CC1 ZINC000064977943 523847824 /nfs/dbraw/zinc/84/78/24/523847824.db2.gz QVXGSAWRAXXOIZ-UHFFFAOYSA-N 1 1 467.595 3.665 50 0 JHAAMO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3cc(OC)ccc3F)CC2)c(Cl)c1 ZINC000012467181 523926149 /nfs/dbraw/zinc/92/61/49/523926149.db2.gz LLFTZAOAYJSVCL-UHFFFAOYSA-N 1 1 450.938 3.907 50 0 JHAAMO Cc1ccc(C)c(NC(=O)N2CC[NH+](CCn3c(-c4ccncc4)nc4cccnc43)CC2)c1 ZINC000033139773 524143291 /nfs/dbraw/zinc/14/32/91/524143291.db2.gz QQYMSRBVTXSBDS-UHFFFAOYSA-N 1 1 455.566 3.960 50 0 JHAAMO COc1ccccc1-c1csc2[nH]c(C[N@H+](CC(C)C)C[C@H](O)COC(C)C)nc(=O)c12 ZINC000036206536 524276134 /nfs/dbraw/zinc/27/61/34/524276134.db2.gz SJXWROAYSRPOFK-KRWDZBQOSA-N 1 1 459.612 3.904 50 0 JHAAMO COc1ccccc1-c1csc2[nH]c(C[N@@H+](CC(C)C)C[C@H](O)COC(C)C)nc(=O)c12 ZINC000036206536 524276144 /nfs/dbraw/zinc/27/61/44/524276144.db2.gz SJXWROAYSRPOFK-KRWDZBQOSA-N 1 1 459.612 3.904 50 0 JHAAMO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000013686739 524389584 /nfs/dbraw/zinc/38/95/84/524389584.db2.gz WQPNHBSYDQTMPO-AREMUKBSSA-N 1 1 470.569 3.975 50 0 JHAAMO Cc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000035485283 524655254 /nfs/dbraw/zinc/65/52/54/524655254.db2.gz ZLSJYJQIKNDMBX-UIOOFZCWSA-N 1 1 452.558 3.857 50 0 biogenic JHAAMO C[C@@H]1C[C@@H](CC(=O)N2CCC[C@@H]3C[N@@H+](Cc4cc5ccccc5s4)CC[C@@H]32)NC(=S)N1 ZINC000014994791 525225766 /nfs/dbraw/zinc/22/57/66/525225766.db2.gz SONVUNATUCGRCE-RBAQFSTRSA-N 1 1 456.681 3.729 50 0 JHAAMO Cc1ccc(NC(=O)c2ccc(C[N@H+]3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)c(F)c1 ZINC000033280352 525237825 /nfs/dbraw/zinc/23/78/25/525237825.db2.gz ZVQPELXOUMXSNA-UHFFFAOYSA-N 1 1 475.568 3.914 50 0 JHAAMO Cc1ccc(NC(=O)c2ccc(C[N@@H+]3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)c(F)c1 ZINC000033280352 525237831 /nfs/dbraw/zinc/23/78/31/525237831.db2.gz ZVQPELXOUMXSNA-UHFFFAOYSA-N 1 1 475.568 3.914 50 0 JHAAMO Cc1ccc(OCc2nnc(S[C@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1 ZINC000048324039 525452252 /nfs/dbraw/zinc/45/22/52/525452252.db2.gz CCPYQYNKGCODPL-QUCCMNQESA-N 1 1 452.580 3.828 50 0 JHAAMO COc1ccc2c(C)cc(N3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)[nH+]c2c1 ZINC000048353665 525496486 /nfs/dbraw/zinc/49/64/86/525496486.db2.gz BCYRLWRQOWIJJA-UHFFFAOYSA-N 1 1 482.425 3.887 50 0 JHAAMO C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000014141513 525537088 /nfs/dbraw/zinc/53/70/88/525537088.db2.gz RKXZZUHIZAUFIA-OAQYLSRUSA-N 1 1 497.661 3.591 50 0 JHAAMO COc1ccc2cc([C@]3(C)NC(=O)N(CN4CC[NH+](C/C=C/c5ccccc5)CC4)C3=O)ccc2c1 ZINC000022804633 525641922 /nfs/dbraw/zinc/64/19/22/525641922.db2.gz KIXVWRRVZDNOEP-PMSYUUNASA-N 1 1 484.600 3.904 50 0 JHAAMO Cc1c(C[N@@H+]2CC(=O)N(CC(C)C)C[C@H](OCc3ccccc3F)C2)c(=O)n(-c2ccccc2)n1C ZINC000014747969 525702748 /nfs/dbraw/zinc/70/27/48/525702748.db2.gz POLLYCJVUQEDSL-XMMPIXPASA-N 1 1 494.611 3.509 50 0 JHAAMO Cc1c(C[N@H+]2CC(=O)N(CC(C)C)C[C@H](OCc3ccccc3F)C2)c(=O)n(-c2ccccc2)n1C ZINC000014747969 525702756 /nfs/dbraw/zinc/70/27/56/525702756.db2.gz POLLYCJVUQEDSL-XMMPIXPASA-N 1 1 494.611 3.509 50 0 JHAAMO C[C@@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1CCC[NH+]1CCOCC1 ZINC000021869207 525792065 /nfs/dbraw/zinc/79/20/65/525792065.db2.gz ZWIWMJMCYIGPAK-NDEPHWFRSA-N 1 1 478.637 3.541 50 0 JHAAMO COc1cccc(Cn2nc(C(=O)N3CCC[C@H](O)C3)c3c2CC[N@H+](Cc2ccccc2Cl)C3)c1 ZINC000014750057 526109308 /nfs/dbraw/zinc/10/93/08/526109308.db2.gz NEVLQHUQCCYACQ-NRFANRHFSA-N 1 1 495.023 3.749 50 0 JHAAMO COc1cccc(Cn2nc(C(=O)N3CCC[C@H](O)C3)c3c2CC[N@@H+](Cc2ccccc2Cl)C3)c1 ZINC000014750057 526109319 /nfs/dbraw/zinc/10/93/19/526109319.db2.gz NEVLQHUQCCYACQ-NRFANRHFSA-N 1 1 495.023 3.749 50 0 JHAAMO COc1cccc(Cn2nc(C(=O)N3CCC[C@@H](O)C3)c3c2CC[N@H+](Cc2ccccc2Cl)C3)c1 ZINC000014750055 526110939 /nfs/dbraw/zinc/11/09/39/526110939.db2.gz NEVLQHUQCCYACQ-OAQYLSRUSA-N 1 1 495.023 3.749 50 0 JHAAMO COc1cccc(Cn2nc(C(=O)N3CCC[C@@H](O)C3)c3c2CC[N@@H+](Cc2ccccc2Cl)C3)c1 ZINC000014750055 526110941 /nfs/dbraw/zinc/11/09/41/526110941.db2.gz NEVLQHUQCCYACQ-OAQYLSRUSA-N 1 1 495.023 3.749 50 0 JHAAMO C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000025862164 526126727 /nfs/dbraw/zinc/12/67/27/526126727.db2.gz KFBMLOVXXNZJQJ-OAHLLOKOSA-N 1 1 465.472 3.730 50 0 JHAAMO C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000025862164 526126736 /nfs/dbraw/zinc/12/67/36/526126736.db2.gz KFBMLOVXXNZJQJ-OAHLLOKOSA-N 1 1 465.472 3.730 50 0 JHAAMO Cc1c[nH+]cn1CCc1nc2c3ccccc3nc(SCC(=O)Nc3ccc(F)cc3)n2n1 ZINC000008609659 526246164 /nfs/dbraw/zinc/24/61/64/526246164.db2.gz ZHKPLNCIPIBLBD-UHFFFAOYSA-N 1 1 461.526 3.895 50 0 JHAAMO Cc1cc(C(=O)N2CCC[C@H](COc3ccc(C[N@@H+](C)CCc4ccccn4)cc3)C2)n(C)n1 ZINC000014969605 526249493 /nfs/dbraw/zinc/24/94/93/526249493.db2.gz DIDXLPZWKYQUDH-QHCPKHFHSA-N 1 1 461.610 3.729 50 0 JHAAMO O=C(NCCO)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014749068 526343414 /nfs/dbraw/zinc/34/34/14/526343414.db2.gz NAWIEPXTWNMACH-WXVAWEFUSA-N 1 1 458.602 3.954 50 0 JHAAMO O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@@H](n2cnnn2)C[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000014995167 526408011 /nfs/dbraw/zinc/40/80/11/526408011.db2.gz JLOFRXFFOZJWMQ-FTJBHMTQSA-N 1 1 470.552 3.654 50 0 JHAAMO O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@@H](n2cnnn2)C[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000014995167 526408016 /nfs/dbraw/zinc/40/80/16/526408016.db2.gz JLOFRXFFOZJWMQ-FTJBHMTQSA-N 1 1 470.552 3.654 50 0 JHAAMO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000065006505 526567915 /nfs/dbraw/zinc/56/79/15/526567915.db2.gz UKWOSLCKEBWMDH-HXUWFJFHSA-N 1 1 498.693 3.754 50 0 JHAAMO O=C(C[NH+]1CCC2(CC1)OCCO2)Nc1cc(-c2ccc3c(c2)CCC3)nn1-c1ccccc1 ZINC000024829852 526731369 /nfs/dbraw/zinc/73/13/69/526731369.db2.gz YQJQYOXCXVHCCG-UHFFFAOYSA-N 1 1 458.562 3.805 50 0 JHAAMO O=C(CSc1ccccc1)N1CCC2(C[C@@H]2C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000014996092 527040756 /nfs/dbraw/zinc/04/07/56/527040756.db2.gz LDLPQCOWMMVLGT-XMMPIXPASA-N 1 1 463.647 3.752 50 0 JHAAMO O=C(Nc1ccc(F)cc1F)N1CC[NH+](CCn2c(-c3ccncc3)nc3cccnc32)CC1 ZINC000033139797 527209171 /nfs/dbraw/zinc/20/91/71/527209171.db2.gz CULKERYSZSPGEX-UHFFFAOYSA-N 1 1 463.492 3.621 50 0 JHAAMO O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H](n2cnnn2)C[N@H+]1CCCc1ccccc1 ZINC000014885927 527466344 /nfs/dbraw/zinc/46/63/44/527466344.db2.gz RODAUQDDAVDDDQ-FTJBHMTQSA-N 1 1 466.589 3.827 50 0 JHAAMO O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)ccc21 ZINC000035480137 527513963 /nfs/dbraw/zinc/51/39/63/527513963.db2.gz GLCHCZQCIIBYDE-UHFFFAOYSA-N 1 1 474.671 3.730 50 0 JHAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@H](O)CN2CCOCC2)CC2CC2)c1Oc1ccc(F)cc1 ZINC000036307827 527538002 /nfs/dbraw/zinc/53/80/02/527538002.db2.gz RDXUJLAJHQWFAR-XMMPIXPASA-N 1 1 494.611 3.924 50 0 JHAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc5c(c4)OCO5)cc2)N3)C1 ZINC000002325417 554149086 /nfs/dbraw/zinc/14/90/86/554149086.db2.gz XXMFWYRWOZKPIB-NRFANRHFSA-N 1 1 463.515 3.538 50 0 JHAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc5c(c4)OCO5)cc2)N3)C1 ZINC000002325417 554149087 /nfs/dbraw/zinc/14/90/87/554149087.db2.gz XXMFWYRWOZKPIB-NRFANRHFSA-N 1 1 463.515 3.538 50 0 JHAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN3CCc4cc(OC)c(OC)cc4CC3=O)C2)cc1OC ZINC000003780122 554470894 /nfs/dbraw/zinc/47/08/94/554470894.db2.gz OBUFMJDDZTXJPY-OAQYLSRUSA-N 1 1 482.621 3.603 50 0 in-man JHAAMO CCOC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4ccc(Cl)cc4)oc3C)C2)CC1 ZINC000006577587 554553261 /nfs/dbraw/zinc/55/32/61/554553261.db2.gz WUABRUKHYQRENK-LJQANCHMSA-N 1 1 474.989 3.816 50 0 JHAAMO C[N@@H+](CCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)C1CCCCC1 ZINC000008933407 554827562 /nfs/dbraw/zinc/82/75/62/554827562.db2.gz IUWNORPUFFMNIS-UHFFFAOYSA-N 1 1 489.595 3.919 50 0 JHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009276365 555048243 /nfs/dbraw/zinc/04/82/43/555048243.db2.gz XDAXAQYXRJJIMM-QFIPXVFZSA-N 1 1 474.671 3.587 50 0 JHAAMO COc1ccc([C@@H](CNC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)[NH+]2CCCC2)cc1 ZINC000009387874 555149644 /nfs/dbraw/zinc/14/96/44/555149644.db2.gz WMMHDSGGELMWFO-JOCHJYFZSA-N 1 1 466.969 3.770 50 0 JHAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1 ZINC000009432642 555202068 /nfs/dbraw/zinc/20/20/68/555202068.db2.gz AQRRKROYVNHXAM-DHIUTWEWSA-N 1 1 457.640 3.913 50 0 JHAAMO O=C(CCCN1C(=O)c2ccccc2C1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013303083 555373674 /nfs/dbraw/zinc/37/36/74/555373674.db2.gz OFHDEWQZZWMQPN-UHFFFAOYSA-N 1 1 467.569 3.997 50 0 JHAAMO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1OC ZINC000013367156 555389510 /nfs/dbraw/zinc/38/95/10/555389510.db2.gz WXIQMEQLWDUPKM-KRWDZBQOSA-N 1 1 482.537 3.622 50 0 JHAAMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1OC ZINC000013367156 555389512 /nfs/dbraw/zinc/38/95/12/555389512.db2.gz WXIQMEQLWDUPKM-KRWDZBQOSA-N 1 1 482.537 3.622 50 0 JHAAMO Cc1ccc(CN2[NH+]=C(C)[C@@H](C)n3c4c(nc32)n(C)c(=O)n(Cc2ccc(C)cc2)c4=O)cc1 ZINC000009707522 555430576 /nfs/dbraw/zinc/43/05/76/555430576.db2.gz JKWDIBPHWXYCBN-LJQANCHMSA-N 1 1 456.550 3.519 50 0 JHAAMO O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000009714160 555442424 /nfs/dbraw/zinc/44/24/24/555442424.db2.gz DZNWOGFBWWHCPU-UHFFFAOYSA-N 1 1 459.955 3.560 50 0 JHAAMO O=C(c1ccco1)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000019839711 555508252 /nfs/dbraw/zinc/50/82/52/555508252.db2.gz NSIAAZVNDKCGPN-RUZDIDTESA-N 1 1 474.605 3.924 50 0 JHAAMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000009818374 555522696 /nfs/dbraw/zinc/52/26/96/555522696.db2.gz ZMHFRGVCTCVEDP-GOSISDBHSA-N 1 1 463.625 3.707 50 0 JHAAMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000009818374 555522699 /nfs/dbraw/zinc/52/26/99/555522699.db2.gz ZMHFRGVCTCVEDP-GOSISDBHSA-N 1 1 463.625 3.707 50 0 JHAAMO CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CC[NH+](CCc4ccncc4)CC3)C2=O)cc1 ZINC000019890235 555529846 /nfs/dbraw/zinc/52/98/46/555529846.db2.gz ZCHLGGSUCJGSPV-RUZDIDTESA-N 1 1 464.610 3.533 50 0 JHAAMO CCc1nn([C@@H](CC)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(=O)c2cc3oc(C)cc3n21 ZINC000009848454 555550451 /nfs/dbraw/zinc/55/04/51/555550451.db2.gz QMRAUJUZQQBMDH-SCTDSRPQSA-N 1 1 455.603 3.548 50 0 JHAAMO COC(=O)c1ccc(CN2CC[C@@H]([NH+]3CCN([C@H]4CCc5ccccc5C4)CC3)CCC2=O)cc1 ZINC000019938886 555557192 /nfs/dbraw/zinc/55/71/92/555557192.db2.gz TVZFFLROFCOLCE-SVBPBHIXSA-N 1 1 475.633 3.529 50 0 JHAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@@H+]4[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000013727744 555601577 /nfs/dbraw/zinc/60/15/77/555601577.db2.gz PJGIDCLEWIMOQE-ZQIPMTRKSA-N 1 1 488.547 3.535 50 0 JHAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@H+]4[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000013727744 555601579 /nfs/dbraw/zinc/60/15/79/555601579.db2.gz PJGIDCLEWIMOQE-ZQIPMTRKSA-N 1 1 488.547 3.535 50 0 JHAAMO O=C1CS[C@@]2(c3ccccc3N(CN3CC[NH+](Cc4ccccc4)CC3)C2=O)N1c1ccccc1 ZINC000020038498 555612497 /nfs/dbraw/zinc/61/24/97/555612497.db2.gz WDSQCSGKOIUFLG-MUUNZHRXSA-N 1 1 484.625 3.741 50 0 JHAAMO O=C(COCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NCCC1=CCCCC1 ZINC000013942285 555653271 /nfs/dbraw/zinc/65/32/71/555653271.db2.gz PXDQUSRWUSBOFP-UHFFFAOYSA-N 1 1 475.633 3.944 50 0 JHAAMO O=C(C1CC[NH+](Cc2c(F)cccc2Cl)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013943734 555654730 /nfs/dbraw/zinc/65/47/30/555654730.db2.gz YXCPSPNDLFAXBP-UHFFFAOYSA-N 1 1 473.976 3.764 50 0 JHAAMO O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000014093321 555685851 /nfs/dbraw/zinc/68/58/51/555685851.db2.gz XAKRMQNNFJSIBA-KRWDZBQOSA-N 1 1 450.589 3.577 50 0 JHAAMO O=C(c1cccn2c(=O)c3c4c(sc3nc12)CCCC4)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020209981 555702424 /nfs/dbraw/zinc/70/24/24/555702424.db2.gz SKQVIWJABKWIAW-UHFFFAOYSA-N 1 1 458.587 3.746 50 0 JHAAMO CCOC(=O)C1=C(C[N@H+](Cc2ccco2)C2CCCC2)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000020284023 555753533 /nfs/dbraw/zinc/75/35/33/555753533.db2.gz ISDIKRADOJLYJB-QHCPKHFHSA-N 1 1 483.565 3.913 50 0 JHAAMO CCOC(=O)C1=C(C[N@@H+](Cc2ccco2)C2CCCC2)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000020284023 555753537 /nfs/dbraw/zinc/75/35/37/555753537.db2.gz ISDIKRADOJLYJB-QHCPKHFHSA-N 1 1 483.565 3.913 50 0 JHAAMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](n3cc(C(=O)NCCO)nn3)C1)oc(C)c2-c1ccccc1 ZINC000014999007 555843323 /nfs/dbraw/zinc/84/33/23/555843323.db2.gz SYFPYZDHVSCIAB-OAQYLSRUSA-N 1 1 489.576 3.568 50 0 JHAAMO Cc1cc(C(=O)NCCCOc2ccc(C[NH+]3CCN(c4ccccc4Cl)CC3)cc2)n(C)n1 ZINC000015004957 555849466 /nfs/dbraw/zinc/84/94/66/555849466.db2.gz RPBFGNWIVGGTEN-UHFFFAOYSA-N 1 1 482.028 3.903 50 0 JHAAMO Cc1cc(I)ccc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015042414 555866003 /nfs/dbraw/zinc/86/60/03/555866003.db2.gz FALNOQTZBMWDFF-UHFFFAOYSA-N 1 1 493.345 3.594 50 0 JHAAMO CN(Cc1ccc(F)cc1)c1ccc(OCC(=O)N2CCC[N@H+](Cc3cccc(F)c3)CC2)nn1 ZINC000011997652 555879761 /nfs/dbraw/zinc/87/97/61/555879761.db2.gz DACSCXUWSBVZNJ-UHFFFAOYSA-N 1 1 481.547 3.505 50 0 JHAAMO CN(Cc1ccc(F)cc1)c1ccc(OCC(=O)N2CCC[N@@H+](Cc3cccc(F)c3)CC2)nn1 ZINC000011997652 555879763 /nfs/dbraw/zinc/87/97/63/555879763.db2.gz DACSCXUWSBVZNJ-UHFFFAOYSA-N 1 1 481.547 3.505 50 0 JHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 ZINC000012023865 555885598 /nfs/dbraw/zinc/88/55/98/555885598.db2.gz OJDJNZNMAZAVJQ-OAQYLSRUSA-N 1 1 456.594 3.910 50 0 JHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ncc3c(n2)-c2cc(OC)ccc2CC3)c1C1CC1 ZINC000012027914 555886342 /nfs/dbraw/zinc/88/63/42/555886342.db2.gz LVXDBXMYGFIZKE-HXUWFJFHSA-N 1 1 472.593 3.528 50 0 JHAAMO O=C(NCc1nnc2n1CC[N@H+](CC(c1ccccc1)c1ccccc1)CC2)c1ccccc1 ZINC000012042060 555894433 /nfs/dbraw/zinc/89/44/33/555894433.db2.gz ZBAPKZHGFWJAQJ-UHFFFAOYSA-N 1 1 451.574 3.898 50 0 JHAAMO C[C@@H](CNC(=O)c1ccc(F)cc1)Oc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000022853540 555960211 /nfs/dbraw/zinc/96/02/11/555960211.db2.gz UWCKYWIZDKVBEM-NRFANRHFSA-N 1 1 462.569 3.736 50 0 JHAAMO CCc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1 ZINC000015726124 555963366 /nfs/dbraw/zinc/96/33/66/555963366.db2.gz RETHQBZANSOUHV-OAQYLSRUSA-N 1 1 464.566 3.845 50 0 JHAAMO CCc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1 ZINC000015726124 555963367 /nfs/dbraw/zinc/96/33/67/555963367.db2.gz RETHQBZANSOUHV-OAQYLSRUSA-N 1 1 464.566 3.845 50 0 JHAAMO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)cc1 ZINC000015726421 555964809 /nfs/dbraw/zinc/96/48/09/555964809.db2.gz UMTLHRDORZSVHC-UHFFFAOYSA-N 1 1 494.548 3.781 50 0 JHAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N[C@H](C)c4ccccc4)CC3)n2)cc1OC ZINC000015726458 555965152 /nfs/dbraw/zinc/96/51/52/555965152.db2.gz DSFKAEQTCQUHRV-QGZVFWFLSA-N 1 1 450.539 3.843 50 0 JHAAMO COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000022908305 555965538 /nfs/dbraw/zinc/96/55/38/555965538.db2.gz INXAZEFEZRVJAA-FQEVSTJZSA-N 1 1 465.575 3.620 50 0 JHAAMO COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1OC ZINC000022908305 555965542 /nfs/dbraw/zinc/96/55/42/555965542.db2.gz INXAZEFEZRVJAA-FQEVSTJZSA-N 1 1 465.575 3.620 50 0 JHAAMO Cc1noc2ncnc(N3CCC(C(=O)NCCC[N@@H+](Cc4ccccc4)C(C)C)CC3)c12 ZINC000015728870 555969189 /nfs/dbraw/zinc/96/91/89/555969189.db2.gz SEGWJKSMHOJBCL-UHFFFAOYSA-N 1 1 450.587 3.560 50 0 JHAAMO O=C(CN1c2ccccc2Sc2ncccc2C1=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000015736031 555983004 /nfs/dbraw/zinc/98/30/04/555983004.db2.gz WJWZPJUFWPQTQG-UHFFFAOYSA-N 1 1 458.587 3.758 50 0 JHAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nc(Nc3ccc4c(c3)OCO4)ncc2C1 ZINC000015779170 555997836 /nfs/dbraw/zinc/99/78/36/555997836.db2.gz NUUFHKJKASPNPV-UHFFFAOYSA-N 1 1 450.495 3.533 50 0 JHAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2nc(Nc3ccc4c(c3)OCO4)ncc2C1 ZINC000015779170 555997840 /nfs/dbraw/zinc/99/78/40/555997840.db2.gz NUUFHKJKASPNPV-UHFFFAOYSA-N 1 1 450.495 3.533 50 0 JHAAMO Cc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000023181083 556027578 /nfs/dbraw/zinc/02/75/78/556027578.db2.gz HGLRDTXLZTWWLJ-SQJMNOBHSA-N 1 1 476.646 3.741 50 0 JHAAMO O=C(CN1C(=O)/C(=C\c2ccccc2Cl)Sc2ccccc21)NCCC[NH+]1CCOCC1 ZINC000015936790 556074517 /nfs/dbraw/zinc/07/45/17/556074517.db2.gz IEARQMQFPWDIMI-CJLVFECKSA-N 1 1 472.010 3.658 50 0 JHAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SC[C@H]1C[N@@H+](CC(C)C)CCO1)n2CC ZINC000023866368 556094925 /nfs/dbraw/zinc/09/49/25/556094925.db2.gz OVTNGSWOTAHZTP-GOSISDBHSA-N 1 1 468.689 3.536 50 0 JHAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015990247 556102226 /nfs/dbraw/zinc/10/22/26/556102226.db2.gz VGEHIZAWOWIWDW-QPXQOZNCSA-N 1 1 456.329 3.733 50 0 JHAAMO O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016000227 556104580 /nfs/dbraw/zinc/10/45/80/556104580.db2.gz JAJLXQUYCSIQMQ-LIONHTAISA-N 1 1 485.540 3.698 50 0 JHAAMO O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016000227 556104584 /nfs/dbraw/zinc/10/45/84/556104584.db2.gz JAJLXQUYCSIQMQ-LIONHTAISA-N 1 1 485.540 3.698 50 0 JHAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001179 556105967 /nfs/dbraw/zinc/10/59/67/556105967.db2.gz WTKCPNVPSAMAJS-QPXQOZNCSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016010046 556108935 /nfs/dbraw/zinc/10/89/35/556108935.db2.gz YWNYZYIBJDIZLN-WYNJNVBPSA-N 1 1 451.526 3.888 50 0 JHAAMO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1OC ZINC000012997955 556190579 /nfs/dbraw/zinc/19/05/79/556190579.db2.gz RZARBNFXGRTLDB-QHCPKHFHSA-N 1 1 478.593 3.643 50 0 JHAAMO O=C(COc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025424905 556215010 /nfs/dbraw/zinc/21/50/10/556215010.db2.gz JDEXOYLZQQBFRB-UHFFFAOYSA-N 1 1 465.557 3.929 50 0 JHAAMO C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000025862169 556237593 /nfs/dbraw/zinc/23/75/93/556237593.db2.gz KFBMLOVXXNZJQJ-HNNXBMFYSA-N 1 1 465.472 3.730 50 0 JHAAMO C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000025862169 556237596 /nfs/dbraw/zinc/23/75/96/556237596.db2.gz KFBMLOVXXNZJQJ-HNNXBMFYSA-N 1 1 465.472 3.730 50 0 JHAAMO COC(=O)c1c2c(sc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(-n3cncn3)cc1)CCCC2 ZINC000017305904 556253653 /nfs/dbraw/zinc/25/36/53/556253653.db2.gz FDHCDYZZBZKUSV-HNNXBMFYSA-N 1 1 453.568 3.626 50 0 JHAAMO COC(=O)c1c2c(sc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(-n3cncn3)cc1)CCCC2 ZINC000017305904 556253654 /nfs/dbraw/zinc/25/36/54/556253654.db2.gz FDHCDYZZBZKUSV-HNNXBMFYSA-N 1 1 453.568 3.626 50 0 JHAAMO CCCCn1c2ncn(Cc3ccccc3)c2c(=O)n(Cc2cn3cc(Cl)ccc3[nH+]2)c1=O ZINC000013069609 556266439 /nfs/dbraw/zinc/26/64/39/556266439.db2.gz MGNVWPUUPHOMIV-UHFFFAOYSA-N 1 1 462.941 3.558 50 0 JHAAMO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](Cc1ccc3c(c1)OCO3)C1CCCC1)CC2 ZINC000027236379 556275385 /nfs/dbraw/zinc/27/53/85/556275385.db2.gz BYRQLWKFMBMCSW-UHFFFAOYSA-N 1 1 452.551 3.762 50 0 JHAAMO CNC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000029161791 556348433 /nfs/dbraw/zinc/34/84/33/556348433.db2.gz GJPPLTMAUQILGY-HHHXNRCGSA-N 1 1 484.600 3.984 50 0 JHAAMO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000030029204 556362956 /nfs/dbraw/zinc/36/29/56/556362956.db2.gz CUCYTESWCWNFNB-QHCPKHFHSA-N 1 1 477.536 3.981 50 0 JHAAMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000030029204 556362958 /nfs/dbraw/zinc/36/29/58/556362958.db2.gz CUCYTESWCWNFNB-QHCPKHFHSA-N 1 1 477.536 3.981 50 0 JHAAMO COc1cccc(NC(=O)COc2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cc2)c1 ZINC000030029191 556363009 /nfs/dbraw/zinc/36/30/09/556363009.db2.gz OEXWNZCSXNFTSV-RUZDIDTESA-N 1 1 459.546 3.842 50 0 JHAAMO COc1cccc(NC(=O)COc2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cc2)c1 ZINC000030029191 556363011 /nfs/dbraw/zinc/36/30/11/556363011.db2.gz OEXWNZCSXNFTSV-RUZDIDTESA-N 1 1 459.546 3.842 50 0 JHAAMO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019793635 556373070 /nfs/dbraw/zinc/37/30/70/556373070.db2.gz UQPKMYHUGYXMLE-UHFFFAOYSA-N 1 1 463.578 3.918 50 0 JHAAMO Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3CCC[N@@H+](Cc4ccc(C(F)(F)F)cc4)CC3)c(C)c12 ZINC000031659801 556401201 /nfs/dbraw/zinc/40/12/01/556401201.db2.gz KXBKNYGEGAMTGH-UHFFFAOYSA-N 1 1 489.542 3.564 50 0 JHAAMO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000032333791 556434384 /nfs/dbraw/zinc/43/43/84/556434384.db2.gz WUUMKSWEYMYCNW-UHFFFAOYSA-N 1 1 457.003 3.504 50 0 JHAAMO COC(=O)[C@H]1CCCC[N@H+]1C1CCN(c2ccc(CC(=O)NCCc3cccc(F)c3)cc2)CC1 ZINC000055183368 569591250 /nfs/dbraw/zinc/59/12/50/569591250.db2.gz TUZNSBKIQUWFCB-AREMUKBSSA-N 1 1 481.612 3.723 50 0 JHAAMO COc1ccccc1-c1ccc(=O)n(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000056901025 569592398 /nfs/dbraw/zinc/59/23/98/569592398.db2.gz BGOGVDZJWGAFAQ-UHFFFAOYSA-N 1 1 494.595 3.853 50 0 JHAAMO Cc1cc(-n2c(C)cc(C(=O)C[NH+]3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c2C)no1 ZINC000057358850 569599392 /nfs/dbraw/zinc/59/93/92/569599392.db2.gz GCTVEUFOJWMVMA-UHFFFAOYSA-N 1 1 464.522 3.653 50 0 JHAAMO CN(C[C@@H]1CCC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccccc1 ZINC000058151868 569602145 /nfs/dbraw/zinc/60/21/45/569602145.db2.gz UWGMUHJOKKMLKP-GHTZIAJQSA-N 1 1 460.500 3.894 50 0 JHAAMO CN(C[C@@H]1CCC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccccc1 ZINC000058151868 569602147 /nfs/dbraw/zinc/60/21/47/569602147.db2.gz UWGMUHJOKKMLKP-GHTZIAJQSA-N 1 1 460.500 3.894 50 0 JHAAMO O=C(CC1CCN(C(=O)C2CCCCC2)CC1)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000032974396 569605502 /nfs/dbraw/zinc/60/55/02/569605502.db2.gz OCLGWOHHVSIXNJ-UHFFFAOYSA-N 1 1 468.686 3.520 50 0 JHAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)COCc2cc(-c3ccc(F)cc3)on2)CC1 ZINC000063552695 569615501 /nfs/dbraw/zinc/61/55/01/569615501.db2.gz IYQZLAOSQLLAEN-UHFFFAOYSA-N 1 1 486.975 3.898 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1 ZINC000064873457 569641040 /nfs/dbraw/zinc/64/10/40/569641040.db2.gz AWWHYLPYLCFJHW-HXUWFJFHSA-N 1 1 478.568 3.945 50 0 JHAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(-n3nc(OCc4cccc(F)c4)ccc3=O)cc2)C1 ZINC000064873468 569641216 /nfs/dbraw/zinc/64/12/16/569641216.db2.gz UMGGAFWBPWCEHT-FQEVSTJZSA-N 1 1 478.568 3.802 50 0 JHAAMO COc1ccc(CC(=O)N2C[C@H](C[NH+]3CCOCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000034697944 569647611 /nfs/dbraw/zinc/64/76/11/569647611.db2.gz NNRBZFQAOWCSQL-NZQKXSOJSA-N 1 1 462.512 3.831 50 0 JHAAMO COc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(Cc2cccs2)CC3)cc1 ZINC000034755656 569656030 /nfs/dbraw/zinc/65/60/30/569656030.db2.gz OPGQDHYVWIARQP-UHFFFAOYSA-N 1 1 451.596 3.649 50 0 JHAAMO COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1CN(C(=O)c1c(F)cccc1F)CC2 ZINC000034758965 569657507 /nfs/dbraw/zinc/65/75/07/569657507.db2.gz PWZCETNDHVBNEB-UHFFFAOYSA-N 1 1 495.530 3.506 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2n(n1)CCN(Cc1cccc(C(F)(F)F)c1)C2=O ZINC000034811268 569661819 /nfs/dbraw/zinc/66/18/19/569661819.db2.gz CZUOCPRYZHBJHN-KRWDZBQOSA-N 1 1 477.531 3.552 50 0 JHAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccco3)[C@H](C)C2)cc1 ZINC000034829732 569663490 /nfs/dbraw/zinc/66/34/90/569663490.db2.gz UDPIMYXLRZYHFQ-KBMIEXCESA-N 1 1 463.603 3.970 50 0 JHAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccco3)[C@H](C)C2)cc1 ZINC000034829732 569663492 /nfs/dbraw/zinc/66/34/92/569663492.db2.gz UDPIMYXLRZYHFQ-KBMIEXCESA-N 1 1 463.603 3.970 50 0 JHAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)c1cnc(-c2ccc3c(c2)OCO3)nc1Nc1cccc(F)c1 ZINC000034921974 569672750 /nfs/dbraw/zinc/67/27/50/569672750.db2.gz DAVOWPXRMXWFQL-LJQANCHMSA-N 1 1 463.513 3.969 50 0 JHAAMO C[N@@H+](CCCNC(=O)CN1c2cc(-c3cccc(Cl)c3)nn2CCC1=O)Cc1ccccc1 ZINC000035374828 569684446 /nfs/dbraw/zinc/68/44/46/569684446.db2.gz VXZLIASDDNOKLA-UHFFFAOYSA-N 1 1 465.985 3.579 50 0 JHAAMO O=C(C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000035404005 569691538 /nfs/dbraw/zinc/69/15/38/569691538.db2.gz HVVFPBPNWMVGNO-UHFFFAOYSA-N 1 1 461.997 3.964 50 0 JHAAMO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000035404005 569691539 /nfs/dbraw/zinc/69/15/39/569691539.db2.gz HVVFPBPNWMVGNO-UHFFFAOYSA-N 1 1 461.997 3.964 50 0 JHAAMO O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000070004153 569694489 /nfs/dbraw/zinc/69/44/89/569694489.db2.gz FLBHIMGHEMTZNL-QFIPXVFZSA-N 1 1 465.985 3.699 50 0 JHAAMO O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000084536004 569709409 /nfs/dbraw/zinc/70/94/09/569709409.db2.gz OOUGEVGPMSIISH-NOZRDPDXSA-N 1 1 451.586 3.778 50 0 JHAAMO COCCC[N@H+](Cc1cccn1Cc1cccc(F)c1)C[C@H](O)COc1ccc(OC)cc1 ZINC000035840832 569713954 /nfs/dbraw/zinc/71/39/54/569713954.db2.gz BIGPQOOPSPICRG-DEOSSOPVSA-N 1 1 456.558 3.963 50 0 JHAAMO CCOC(=O)CCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C[C@H]1CCCO1 ZINC000035844897 569715681 /nfs/dbraw/zinc/71/56/81/569715681.db2.gz MNEYNHZCGIIYBC-XMMPIXPASA-N 1 1 470.610 3.984 50 0 JHAAMO CCOC(=O)CCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C[C@H]1CCCO1 ZINC000035844897 569715682 /nfs/dbraw/zinc/71/56/82/569715682.db2.gz MNEYNHZCGIIYBC-XMMPIXPASA-N 1 1 470.610 3.984 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035851974 569716737 /nfs/dbraw/zinc/71/67/37/569716737.db2.gz ROCOQYPETNYMGR-ZHSNQQFMSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035851974 569716738 /nfs/dbraw/zinc/71/67/38/569716738.db2.gz ROCOQYPETNYMGR-ZHSNQQFMSA-N 1 1 456.329 3.733 50 0 JHAAMO O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000095348744 569722450 /nfs/dbraw/zinc/72/24/50/569722450.db2.gz KPGKVIWMBFLEML-UHFFFAOYSA-N 1 1 460.622 3.602 50 0 JHAAMO COCCCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035908042 569723658 /nfs/dbraw/zinc/72/36/58/569723658.db2.gz WXTCJYURTFLLIO-JTHBVZDNSA-N 1 1 479.518 3.860 50 0 JHAAMO COc1ccc(C(=O)Nc2cccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2)c(OC)c1 ZINC000096116485 569735487 /nfs/dbraw/zinc/73/54/87/569735487.db2.gz KWCZZOALRDSVSL-WMZHIEFXSA-N 1 1 451.567 3.950 50 0 biogenic JHAAMO Cc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000035958420 569736295 /nfs/dbraw/zinc/73/62/95/569736295.db2.gz ZLSJYJQIKNDMBX-IZZNHLLZSA-N 1 1 452.558 3.857 50 0 JHAAMO O=C1CCCN1c1ccc(CN2C(=O)C[C@@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000100155337 569754194 /nfs/dbraw/zinc/75/41/94/569754194.db2.gz PGDSGUAUQSECHG-JOCHJYFZSA-N 1 1 488.613 3.930 50 0 JHAAMO COCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H](O)COCc1ccccc1 ZINC000036249765 569758071 /nfs/dbraw/zinc/75/80/71/569758071.db2.gz JUSPENUDQCFBFE-XMMPIXPASA-N 1 1 465.594 3.968 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3F)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036341219 569764390 /nfs/dbraw/zinc/76/43/90/569764390.db2.gz JAWBKFBSJRPOFZ-CYFREDJKSA-N 1 1 467.541 3.787 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3F)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036341219 569764391 /nfs/dbraw/zinc/76/43/91/569764391.db2.gz JAWBKFBSJRPOFZ-CYFREDJKSA-N 1 1 467.541 3.787 50 0 JHAAMO CCOc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000036342583 569765897 /nfs/dbraw/zinc/76/58/97/569765897.db2.gz JGRROEJAPKXCFG-RUZDIDTESA-N 1 1 462.594 3.577 50 0 JHAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@H](c3ccccc3C)C2)c(OC)c1 ZINC000036342812 569766085 /nfs/dbraw/zinc/76/60/85/569766085.db2.gz XBYIUWPAJLCBSR-DEOSSOPVSA-N 1 1 479.577 3.529 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccccc2C)C1 ZINC000036344964 569767440 /nfs/dbraw/zinc/76/74/40/569767440.db2.gz ANRRYIPCBIHUKZ-OFVILXPXSA-N 1 1 463.578 3.956 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccccc2C)C1 ZINC000036344964 569767442 /nfs/dbraw/zinc/76/74/42/569767442.db2.gz ANRRYIPCBIHUKZ-OFVILXPXSA-N 1 1 463.578 3.956 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2cccc(F)c2)C1 ZINC000036344833 569767463 /nfs/dbraw/zinc/76/74/63/569767463.db2.gz DEOBSILEYPFLIR-CVDCTZTESA-N 1 1 467.541 3.787 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2cccc(F)c2)C1 ZINC000036344833 569767465 /nfs/dbraw/zinc/76/74/65/569767465.db2.gz DEOBSILEYPFLIR-CVDCTZTESA-N 1 1 467.541 3.787 50 0 JHAAMO 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3.740 50 0 JHAAMO CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000004762800 521841894 /nfs/dbraw/zinc/84/18/94/521841894.db2.gz INDJOAMIQUHIKA-FQQJKYKHSA-N 1 1 474.665 3.811 50 0 JHAAMO CN(C)S(=O)(=O)c1cc2c(cc1N1CC[NH+](Cc3ccccc3)CC1)Oc1ccccc1NC2=O ZINC000064986532 521972685 /nfs/dbraw/zinc/97/26/85/521972685.db2.gz SCEHXKMRLJPZNP-UHFFFAOYSA-N 1 1 492.601 3.617 50 0 JHAAMO COCCn1c(C)cc(O)c([C@@H](c2ccc(F)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697743 522060524 /nfs/dbraw/zinc/06/05/24/522060524.db2.gz QTRNVDGMRFCMLG-RUZDIDTESA-N 1 1 469.532 3.699 50 0 JHAAMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000009487444 522137402 /nfs/dbraw/zinc/13/74/02/522137402.db2.gz XOKNYRKFFXOZOE-HSZRJFAPSA-N 1 1 477.536 3.856 50 0 JHAAMO COc1cc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)cc(OC)c1OC ZINC000009291068 522965424 /nfs/dbraw/zinc/96/54/24/522965424.db2.gz HYFJQHJCUXPUEQ-DNQXCXABSA-N 1 1 469.501 3.912 50 0 JHAAMO CCn1c(C)cc(O)c([C@@H](c2ccc(OC)c(OC)c2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000022697319 523138847 /nfs/dbraw/zinc/13/88/47/523138847.db2.gz BIDHVHVWLCVGST-AREMUKBSSA-N 1 1 463.578 3.811 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000033249497 523168722 /nfs/dbraw/zinc/16/87/22/523168722.db2.gz ALYIXBQRRAZMKM-NHCUHLMSSA-N 1 1 455.603 3.732 50 0 JHAAMO COc1ccc(-c2nc(S[C@@H](CC(=O)NCCC[NH+]3CCOCC3)c3cccs3)n[nH]2)cc1 ZINC000015441370 523177994 /nfs/dbraw/zinc/17/79/94/523177994.db2.gz MEWYRCZWZHWTPZ-FQEVSTJZSA-N 1 1 487.651 3.604 50 0 JHAAMO COCCC[N@@H+](Cc1nc(=O)c2c(-c3ccc(C)cc3)csc2[nH]1)C[C@H](O)COCC(C)C ZINC000036205656 523270350 /nfs/dbraw/zinc/27/03/50/523270350.db2.gz OWBOTXIJQUJBDO-FQEVSTJZSA-N 1 1 473.639 3.832 50 0 JHAAMO COCCC[N@H+](Cc1nc(=O)c2c(-c3ccc(C)cc3)csc2[nH]1)C[C@H](O)COCC(C)C ZINC000036205656 523270357 /nfs/dbraw/zinc/27/03/57/523270357.db2.gz OWBOTXIJQUJBDO-FQEVSTJZSA-N 1 1 473.639 3.832 50 0 JHAAMO COc1ccc(-c2noc3ncnc(N4CCC(C(=O)NCCC[N@H+]5CCC[C@@H](C)C5)CC4)c32)cc1 ZINC000033084954 523305271 /nfs/dbraw/zinc/30/52/71/523305271.db2.gz USABYGXTVMUQRJ-LJQANCHMSA-N 1 1 492.624 3.748 50 0 JHAAMO COc1ccc(/C=C/C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1 ZINC000014881925 523405707 /nfs/dbraw/zinc/40/57/07/523405707.db2.gz RWYWSTOEKANYGB-IDOMTICXSA-N 1 1 467.520 3.627 50 0 JHAAMO CC[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971043 523772847 /nfs/dbraw/zinc/77/28/47/523772847.db2.gz DACFMWITCGCKSO-XMMPIXPASA-N 1 1 486.620 3.788 50 0 JHAAMO COCCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3nc4ccccc4s3)CC2)C1=O ZINC000014743059 523801046 /nfs/dbraw/zinc/80/10/46/523801046.db2.gz ZCDKJDJTIAKYTF-UHFFFAOYSA-N 1 1 478.618 3.784 50 0 JHAAMO Cc1cccc(N2CCN(C(=O)C[N@H+]3CC=C(c4cnn(-c5ccc(F)cc5)c4)CC3)CC2)c1 ZINC000035404585 524545455 /nfs/dbraw/zinc/54/54/55/524545455.db2.gz WBXBLMLOEMHIAE-UHFFFAOYSA-N 1 1 459.569 3.758 50 0 JHAAMO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC=C(c4cnn(-c5ccc(F)cc5)c4)CC3)CC2)c1 ZINC000035404585 524545465 /nfs/dbraw/zinc/54/54/65/524545465.db2.gz WBXBLMLOEMHIAE-UHFFFAOYSA-N 1 1 459.569 3.758 50 0 JHAAMO COc1ccc(NC(C)=O)cc1NC(=O)CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022916349 524668149 /nfs/dbraw/zinc/66/81/49/524668149.db2.gz YONJAYFRZIGQIU-UHFFFAOYSA-N 1 1 452.580 3.625 50 0 JHAAMO COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(F)cc1Br)[NH+]1CCCC1 ZINC000048286154 524734467 /nfs/dbraw/zinc/73/44/67/524734467.db2.gz VKKNGLGQLOVGTD-QGZVFWFLSA-N 1 1 457.365 3.712 50 0 JHAAMO C[C@H](NC(=O)C(=O)NCc1ccc(F)cc1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020288565 524882493 /nfs/dbraw/zinc/88/24/93/524882493.db2.gz AIALLAMHVBMJIY-CPJSRVTESA-N 1 1 494.636 3.567 50 0 JHAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cnn(-c4nccc(-c5cccs5)n4)c3C3CC3)CC2)C[C@H](C)O1 ZINC000014997710 524922043 /nfs/dbraw/zinc/92/20/43/524922043.db2.gz MUGGAOVDRWURQV-HDICACEKSA-N 1 1 492.649 3.982 50 0 JHAAMO COc1ccc(OCC[NH+]2CCN([C@@H](C)C(=O)N(c3nccs3)C3CCCCC3)CC2)cc1 ZINC000022810728 524955855 /nfs/dbraw/zinc/95/58/55/524955855.db2.gz MZOUMMGGMRFUHL-FQEVSTJZSA-N 1 1 472.655 3.903 50 0 JHAAMO C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc1)c1ccc(F)cc1 ZINC000033280361 525326279 /nfs/dbraw/zinc/32/62/79/525326279.db2.gz NBOKUDCJKJAZRE-LJQANCHMSA-N 1 1 489.595 3.845 50 0 JHAAMO C[C@@H](NC(=O)c1ccc(C[N@H+]2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc1)c1ccc(F)cc1 ZINC000033280361 525326287 /nfs/dbraw/zinc/32/62/87/525326287.db2.gz NBOKUDCJKJAZRE-LJQANCHMSA-N 1 1 489.595 3.845 50 0 JHAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc2C)cc1 ZINC000014166505 525503274 /nfs/dbraw/zinc/50/32/74/525503274.db2.gz QNRAMODFMSTXIT-UHFFFAOYSA-N 1 1 477.630 3.843 50 0 JHAAMO Cc1c(C(=O)NCC2CC[NH+](Cc3cccc(C)c3)CC2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048253 525608113 /nfs/dbraw/zinc/60/81/13/525608113.db2.gz ODYUXINDDMZTEX-UHFFFAOYSA-N 1 1 492.693 3.702 50 0 JHAAMO COc1cccc(C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@@H]2CC(c3ccc4c(c3)OCO4)=NO2)c1 ZINC000036146517 525925021 /nfs/dbraw/zinc/92/50/21/525925021.db2.gz FFABLSSPUXMNPR-UNMCSNQZSA-N 1 1 470.566 3.595 50 0 JHAAMO Cc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c(C)c1 ZINC000036343144 525987957 /nfs/dbraw/zinc/98/79/57/525987957.db2.gz QKJDYTFSXBKXNI-XMMPIXPASA-N 1 1 451.542 3.959 50 0 JHAAMO O=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014681687 526913282 /nfs/dbraw/zinc/91/32/82/526913282.db2.gz TVOWKBIGXBKYCA-UHFFFAOYSA-N 1 1 470.591 3.616 50 0 JHAAMO O=C1C[C@H]([NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000009906786 527027858 /nfs/dbraw/zinc/02/78/58/527027858.db2.gz NGUAKAUQRJXXQB-DEOSSOPVSA-N 1 1 484.552 3.695 50 0 JHAAMO O=C(Cc1ccc(N2CCNC2=O)cc1)NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000014988280 527235458 /nfs/dbraw/zinc/23/54/58/527235458.db2.gz AKCKWQWKQNCZMY-SANMLTNESA-N 1 1 488.563 3.650 50 0 JHAAMO O=C(Cc1ccc(N2CCNC2=O)cc1)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000014988280 527235463 /nfs/dbraw/zinc/23/54/63/527235463.db2.gz AKCKWQWKQNCZMY-SANMLTNESA-N 1 1 488.563 3.650 50 0 JHAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)N2CCCCC2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014747504 527273164 /nfs/dbraw/zinc/27/31/64/527273164.db2.gz BJFOXSWOHDRUPD-RPWUZVMVSA-N 1 1 461.606 3.970 50 0 JHAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@@H](O)CN2CCOCC2)CC2CC2)c1Oc1ccccc1F ZINC000036306915 527536634 /nfs/dbraw/zinc/53/66/34/527536634.db2.gz HXUSRGDULAETKW-QHCPKHFHSA-N 1 1 494.611 3.924 50 0 JHAAMO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCN(c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000033071546 527667647 /nfs/dbraw/zinc/66/76/47/527667647.db2.gz TVHDTJPSWPYUFG-LJQANCHMSA-N 1 1 499.034 3.900 50 0 JHAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000020508516 527671459 /nfs/dbraw/zinc/67/14/59/527671459.db2.gz PIQAOFONNJIRJD-DNQXCXABSA-N 1 1 467.635 3.810 50 0 JHAAMO C[N@@H+](CCO)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000000626512 553714608 /nfs/dbraw/zinc/71/46/08/553714608.db2.gz YCGMSOVSEWLDIR-CQSZACIVSA-N 1 1 456.178 3.605 50 0 JHAAMO Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000008965366 554839696 /nfs/dbraw/zinc/83/96/96/554839696.db2.gz YFQWNBCNECANOU-HXUWFJFHSA-N 1 1 463.626 3.965 50 0 JHAAMO CCCn1c2ccccc2c2cnn(CC(=O)NCC[N@@H+](Cc3ccco3)[C@@H](C)CC)c(=O)c21 ZINC000009153446 554943173 /nfs/dbraw/zinc/94/31/73/554943173.db2.gz JPOHYKVEYDKACW-IBGZPJMESA-N 1 1 463.582 3.771 50 0 JHAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211092 554980822 /nfs/dbraw/zinc/98/08/22/554980822.db2.gz BBZGGKSPVNRSOC-QHAWAJNXSA-N 1 1 467.662 3.538 50 0 JHAAMO COC(=O)c1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1 ZINC000009293398 555068791 /nfs/dbraw/zinc/06/87/91/555068791.db2.gz RKNHEBBBRCJPIE-BJKOFHAPSA-N 1 1 451.486 3.981 50 0 JHAAMO COc1ccc(OC)c(N2C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c1 ZINC000009317285 555092468 /nfs/dbraw/zinc/09/24/68/555092468.db2.gz QVXXJVBSOVGTHV-WBADGQHESA-N 1 1 460.530 3.834 50 0 JHAAMO COc1ccc(OC)c(N2C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c1 ZINC000009317285 555092471 /nfs/dbraw/zinc/09/24/71/555092471.db2.gz QVXXJVBSOVGTHV-WBADGQHESA-N 1 1 460.530 3.834 50 0 JHAAMO CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000009642030 555353718 /nfs/dbraw/zinc/35/37/18/555353718.db2.gz FJQRPGWKPOBXRP-QFIPXVFZSA-N 1 1 455.624 3.644 50 0 JHAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)n1 ZINC000009575374 555371353 /nfs/dbraw/zinc/37/13/53/555371353.db2.gz ICIUVWDYQPVIQE-UHFFFAOYSA-N 1 1 491.665 3.709 50 0 JHAAMO COc1ccc2cc(-c3csc(NC(=O)CCC(=O)NCC[N@H+]4CCCC[C@H]4C)n3)c(=O)oc2c1 ZINC000009590298 555403364 /nfs/dbraw/zinc/40/33/64/555403364.db2.gz KNAABXGHXXYXBI-MRXNPFEDSA-N 1 1 498.605 3.634 50 0 JHAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1cccc(Oc3ccccc3)c1)CC2)c1ccoc1 ZINC000019836037 555507091 /nfs/dbraw/zinc/50/70/91/555507091.db2.gz SAMDAVCKAIVPBC-UHFFFAOYSA-N 1 1 457.534 3.694 50 0 JHAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C2CCCCC2)cc1 ZINC000019849767 555510863 /nfs/dbraw/zinc/51/08/63/555510863.db2.gz SIXZWNQCDKYNJH-UHFFFAOYSA-N 1 1 469.651 3.663 50 0 JHAAMO O=C(c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013610040 555533975 /nfs/dbraw/zinc/53/39/75/555533975.db2.gz XDVMHAMJAIXNAK-UHFFFAOYSA-N 1 1 475.614 3.786 50 0 JHAAMO CCc1nn([C@H](CC)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(=O)c2cc3oc(C)cc3n21 ZINC000009848457 555550559 /nfs/dbraw/zinc/55/05/59/555550559.db2.gz QMRAUJUZQQBMDH-ZIFCJYIRSA-N 1 1 455.603 3.548 50 0 JHAAMO C[N@@H+](CCCNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)Cc1ccccc1 ZINC000009982864 555582539 /nfs/dbraw/zinc/58/25/39/555582539.db2.gz QWOCKKXSJJAFSH-UHFFFAOYSA-N 1 1 452.605 3.825 50 0 JHAAMO O=C(C(c1ccccc1)c1ccccc1)N1CCC(C(=O)N2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000013692897 555587593 /nfs/dbraw/zinc/58/75/93/555587593.db2.gz JLGQZLCZUPCRJH-UHFFFAOYSA-N 1 1 496.655 3.839 50 0 JHAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]12 ZINC000013719824 555595584 /nfs/dbraw/zinc/59/55/84/555595584.db2.gz VNOWCQLTELBJEK-IDCDSMMUSA-N 1 1 494.526 3.515 50 0 JHAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000013726205 555600656 /nfs/dbraw/zinc/60/06/56/555600656.db2.gz NCPKRPQZGUGTBT-ZRIOWSNCSA-N 1 1 490.563 3.685 50 0 JHAAMO COc1ccc([C@@H](CNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)[NH+]2CCCCC2)cc1 ZINC000010109559 555619299 /nfs/dbraw/zinc/61/92/99/555619299.db2.gz MZNPNVYQRGOVET-HSZRJFAPSA-N 1 1 464.541 3.646 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000013787991 555619825 /nfs/dbraw/zinc/61/98/25/555619825.db2.gz JCIZSPTVSDDPDB-QYOOZWMWSA-N 1 1 479.536 3.845 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000013787991 555619828 /nfs/dbraw/zinc/61/98/28/555619828.db2.gz JCIZSPTVSDDPDB-QYOOZWMWSA-N 1 1 479.536 3.845 50 0 JHAAMO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)ccc1Cl ZINC000010140030 555636519 /nfs/dbraw/zinc/63/65/19/555636519.db2.gz BGVHDGPWUJAKQV-UHFFFAOYSA-N 1 1 475.014 3.890 50 0 JHAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cccc(OC)c2OC)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000020109811 555645933 /nfs/dbraw/zinc/64/59/33/555645933.db2.gz OJGCRLZTZGRDGT-XUZZJYLKSA-N 1 1 499.627 3.809 50 0 JHAAMO COC(=O)CC[C@H]1CN(Cc2cccc(OC)c2OC)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1 ZINC000020109811 555645935 /nfs/dbraw/zinc/64/59/35/555645935.db2.gz OJGCRLZTZGRDGT-XUZZJYLKSA-N 1 1 499.627 3.809 50 0 JHAAMO Cc1ccc(NC(=O)COCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013942290 555653369 /nfs/dbraw/zinc/65/33/69/555653369.db2.gz PZTKFORBDWXBAO-UHFFFAOYSA-N 1 1 457.574 3.884 50 0 JHAAMO O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020263977 555746132 /nfs/dbraw/zinc/74/61/32/555746132.db2.gz CMVVEIJHKVBRML-UHFFFAOYSA-N 1 1 452.558 3.798 50 0 JHAAMO Cc1cc(C)c(S(=O)(=O)NCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000020294270 555762925 /nfs/dbraw/zinc/76/29/25/555762925.db2.gz ASSVQMNJSKZRFQ-UHFFFAOYSA-N 1 1 491.657 3.824 50 0 JHAAMO Cc1cccc(N2CCN(C(=O)[C@@H]3Cc4nc(NC(=O)CC5CCCCC5)sc4C(=O)C3)CC2)[nH+]1 ZINC000011784421 555815912 /nfs/dbraw/zinc/81/59/12/555815912.db2.gz XPCFLXGKHHJSIO-LJQANCHMSA-N 1 1 495.649 3.849 50 0 JHAAMO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1nc(-c3ccccc3)cs1)CC2 ZINC000014535917 555825061 /nfs/dbraw/zinc/82/50/61/555825061.db2.gz FJXGQXURERFFJA-UHFFFAOYSA-N 1 1 491.617 3.651 50 0 JHAAMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(NCc3cccc(F)c3)cc(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000014542211 555833082 /nfs/dbraw/zinc/83/30/82/555833082.db2.gz BLJKKJQTTQWLHK-LJQANCHMSA-N 1 1 490.645 3.586 50 0 JHAAMO Cc1ccc(OCC[N@H+](C)C2CCN(c3ccc(C(=O)N4CCC[C@@H](O)C4)cc3)CC2)cc1 ZINC000014987963 555841928 /nfs/dbraw/zinc/84/19/28/555841928.db2.gz UHLWPJZHHJRNPM-RUZDIDTESA-N 1 1 451.611 3.572 50 0 JHAAMO COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2cccc(OC)c2)CC3)o1 ZINC000015001068 555845852 /nfs/dbraw/zinc/84/58/52/555845852.db2.gz SZNDLMMFSUWEFY-QFIPXVFZSA-N 1 1 481.597 3.602 50 0 JHAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](Cc2ccc(-c4ccccc4)cc2)CC3)o1 ZINC000011871191 555846745 /nfs/dbraw/zinc/84/67/45/555846745.db2.gz SIBPYLMYQPCKRB-UHFFFAOYSA-N 1 1 471.561 3.673 50 0 JHAAMO COc1ccc(-c2cc(C[NH2+]CC3=NO[C@@H](Cc4cc(OC)c5c(c4OC)OCO5)C3)on2)cc1 ZINC000015081371 555872994 /nfs/dbraw/zinc/87/29/94/555872994.db2.gz JRGLEKCRPGQTFC-IBGZPJMESA-N 1 1 481.505 3.573 50 0 JHAAMO COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000012041169 555893783 /nfs/dbraw/zinc/89/37/83/555893783.db2.gz YIZLCNJVNYWYNT-VWLOTQADSA-N 1 1 473.621 3.757 50 0 JHAAMO O=C1CCCN1c1ccc(CN2C(=O)C[C@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000015307484 555895764 /nfs/dbraw/zinc/89/57/64/555895764.db2.gz PGDSGUAUQSECHG-QFIPXVFZSA-N 1 1 488.613 3.930 50 0 JHAAMO COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CC[N@H+](Cc2ccc(OC(C)C)cc2)CC3)c1 ZINC000012190319 555937494 /nfs/dbraw/zinc/93/74/94/555937494.db2.gz WTXYOCIVTKWOJF-IBGZPJMESA-N 1 1 463.582 3.623 50 0 JHAAMO O=S(=O)(NCCCC[NH+]1CCN(c2ncccc2C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000012369367 555961256 /nfs/dbraw/zinc/96/12/56/555961256.db2.gz FGTLOAVDBSVORA-UHFFFAOYSA-N 1 1 476.952 3.635 50 0 JHAAMO CC(C)[N@@H+](CCCNC(=O)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1)Cc1ccccc1 ZINC000015728142 555967907 /nfs/dbraw/zinc/96/79/07/555967907.db2.gz KMRPMKZPQBDYEI-QFIPXVFZSA-N 1 1 466.655 3.962 50 0 JHAAMO C[C@H]1CC(=O)Nc2cc(S(=O)(=O)N3CCC(C[N@H+]4CCc5ccccc5C4)CC3)ccc2S1 ZINC000015730977 555973542 /nfs/dbraw/zinc/97/35/42/555973542.db2.gz AHENBDVMRAKWPC-SFHVURJKSA-N 1 1 485.675 3.968 50 0 JHAAMO CCN1CCN(C(=O)c2ccc(N3CCC([N@@H+](C)Cc4nc(-c5ccccc5)no4)CC3)cc2)CC1 ZINC000012453654 555981262 /nfs/dbraw/zinc/98/12/62/555981262.db2.gz VMZWYYTWHXEJPH-UHFFFAOYSA-N 1 1 488.636 3.615 50 0 JHAAMO O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023114527 556011479 /nfs/dbraw/zinc/01/14/79/556011479.db2.gz DLOAOLFRIIKOKC-UHFFFAOYSA-N 1 1 475.614 3.774 50 0 JHAAMO O=C(c1ccnc(-c2ccccc2)c1)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000015864358 556039448 /nfs/dbraw/zinc/03/94/48/556039448.db2.gz PXGNETILUKRBIT-UHFFFAOYSA-N 1 1 468.601 3.945 50 0 JHAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000012568377 556068655 /nfs/dbraw/zinc/06/86/55/556068655.db2.gz DBOOQDLRHDDDME-XMMPIXPASA-N 1 1 479.602 3.988 50 0 JHAAMO CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[NH+]3CCOCC3)C2=O)cc1 ZINC000015935571 556073425 /nfs/dbraw/zinc/07/34/25/556073425.db2.gz KYPPCTQAJBWBJE-HKOYGPOVSA-N 1 1 465.619 3.567 50 0 JHAAMO O[C@H](COC[C@H]1COc2ccccc2O1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023473279 556074198 /nfs/dbraw/zinc/07/41/98/556074198.db2.gz KJMNBTFDTVAIRH-UIOOFZCWSA-N 1 1 474.601 3.611 50 0 JHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000023538179 556076967 /nfs/dbraw/zinc/07/69/67/556076967.db2.gz QTPBZKSSDBOEEZ-QHCPKHFHSA-N 1 1 463.622 3.843 50 0 JHAAMO Cc1ccc(Sc2ncccc2C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1C ZINC000023895743 556099339 /nfs/dbraw/zinc/09/93/39/556099339.db2.gz NLAIJRPBNNVEBN-UHFFFAOYSA-N 1 1 462.623 3.582 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000015999270 556104309 /nfs/dbraw/zinc/10/43/09/556104309.db2.gz MIZHYXVCKPFOEU-BREDGVMVSA-N 1 1 460.292 3.564 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015999270 556104312 /nfs/dbraw/zinc/10/43/12/556104312.db2.gz MIZHYXVCKPFOEU-BREDGVMVSA-N 1 1 460.292 3.564 50 0 JHAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1I ZINC000012912270 556131609 /nfs/dbraw/zinc/13/16/09/556131609.db2.gz YVYSNVQAJNGIOH-UHFFFAOYSA-N 1 1 477.346 3.889 50 0 JHAAMO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1cccc(I)c1 ZINC000012975603 556167815 /nfs/dbraw/zinc/16/78/15/556167815.db2.gz RPHHJPMAKZLQHB-HNNXBMFYSA-N 1 1 463.319 3.580 50 0 JHAAMO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1cccc(I)c1 ZINC000012975603 556167817 /nfs/dbraw/zinc/16/78/17/556167817.db2.gz RPHHJPMAKZLQHB-HNNXBMFYSA-N 1 1 463.319 3.580 50 0 JHAAMO CC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000024992474 556171282 /nfs/dbraw/zinc/17/12/82/556171282.db2.gz IXIHVCQWTQSPSR-DEOSSOPVSA-N 1 1 461.562 3.543 50 0 JHAAMO COc1cc(C)c(CN2CCN(C(=O)C[N@H+]3CC=C(c4c[nH]c5ccccc54)CC3)CC2)cc1OC ZINC000025047199 556173929 /nfs/dbraw/zinc/17/39/29/556173929.db2.gz PEWYUNIXHSTLPO-UHFFFAOYSA-N 1 1 488.632 3.927 50 0 JHAAMO COc1cc(C)c(CN2CCN(C(=O)C[N@@H+]3CC=C(c4c[nH]c5ccccc54)CC3)CC2)cc1OC ZINC000025047199 556173932 /nfs/dbraw/zinc/17/39/32/556173932.db2.gz PEWYUNIXHSTLPO-UHFFFAOYSA-N 1 1 488.632 3.927 50 0 JHAAMO Cc1ccc(-c2cc(C(=O)NC[C@@H]([C@H]3CCOC3)[NH+]3CCOCC3)c3ccccc3n2)c(C)c1 ZINC000013008990 556200455 /nfs/dbraw/zinc/20/04/55/556200455.db2.gz MVGKEKGYIAOGAW-IDISGSTGSA-N 1 1 459.590 3.986 50 0 JHAAMO Cc1ccc(-c2cc(C(=O)NC[C@H]([C@@H]3CCOC3)[NH+]3CCOCC3)c3ccccc3n2)c(C)c1 ZINC000013008989 556200501 /nfs/dbraw/zinc/20/05/01/556200501.db2.gz MVGKEKGYIAOGAW-JIPXPUAJSA-N 1 1 459.590 3.986 50 0 JHAAMO COc1cc(C(=O)N2CCN(c3nc(Nc4ccccc4)cc(C)[nH+]3)CC2)cc(OC)c1OC ZINC000017012231 556202028 /nfs/dbraw/zinc/20/20/28/556202028.db2.gz COUMCFCVLCEGLA-UHFFFAOYSA-N 1 1 463.538 3.517 50 0 JHAAMO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000013058552 556253908 /nfs/dbraw/zinc/25/39/08/556253908.db2.gz ZCHZRBWHLWCRQT-UHFFFAOYSA-N 1 1 459.612 3.961 50 0 JHAAMO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000013058552 556253909 /nfs/dbraw/zinc/25/39/09/556253909.db2.gz ZCHZRBWHLWCRQT-UHFFFAOYSA-N 1 1 459.612 3.961 50 0 JHAAMO C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027573293 556299628 /nfs/dbraw/zinc/29/96/28/556299628.db2.gz BHURJCVHVROIND-JKSUJKDBSA-N 1 1 474.483 3.730 50 0 JHAAMO C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027573293 556299630 /nfs/dbraw/zinc/29/96/30/556299630.db2.gz BHURJCVHVROIND-JKSUJKDBSA-N 1 1 474.483 3.730 50 0 JHAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)c2c1C ZINC000013117597 556328265 /nfs/dbraw/zinc/32/82/65/556328265.db2.gz BTQOHORKHHDGPY-UHFFFAOYSA-N 1 1 489.642 3.554 50 0 JHAAMO COc1ccccc1[C@@H](CNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)[NH+](C)C ZINC000029508299 556352560 /nfs/dbraw/zinc/35/25/60/556352560.db2.gz ONTGYBZXVWQDDO-HSZRJFAPSA-N 1 1 457.530 3.524 50 0 JHAAMO COC(=O)CN1C(CCN2CCOCC2)=[NH+]c2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000019707378 556361026 /nfs/dbraw/zinc/36/10/26/556361026.db2.gz DHAFBYZCCBTVEW-HSZRJFAPSA-N 1 1 472.383 3.779 50 0 JHAAMO O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030180992 556364226 /nfs/dbraw/zinc/36/42/26/556364226.db2.gz NGYKXWFHILEFPX-UHFFFAOYSA-N 1 1 487.025 3.577 50 0 JHAAMO O=C(Cc1ccc(F)cc1Cl)N1CCC2(C[C@H]2C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019741716 556364780 /nfs/dbraw/zinc/36/47/80/556364780.db2.gz FAIMDQWQEHGWFL-QHCPKHFHSA-N 1 1 484.015 3.995 50 0 JHAAMO O=C(c1cncs1)N1CCC[C@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000019742348 556364883 /nfs/dbraw/zinc/36/48/83/556364883.db2.gz MBBUSQCYGNYJOD-DEOSSOPVSA-N 1 1 491.661 3.787 50 0 JHAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000019745506 556366015 /nfs/dbraw/zinc/36/60/15/556366015.db2.gz NHJPVRBFPNTNEG-UHFFFAOYSA-N 1 1 457.574 3.818 50 0 JHAAMO O=C(NCCC[NH+]1CCOCC1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000019758303 556366399 /nfs/dbraw/zinc/36/63/99/556366399.db2.gz PBHMWEGGYPQUPJ-UHFFFAOYSA-N 1 1 473.908 3.582 50 0 JHAAMO CC(C)c1c(C(=O)NCC2([NH+]3CCOCC3)CCCC2)cnn1-c1nccc(-c2cccs2)n1 ZINC000019760534 556366871 /nfs/dbraw/zinc/36/68/71/556366871.db2.gz JLCYRBZDCMUYRF-UHFFFAOYSA-N 1 1 480.638 3.889 50 0 JHAAMO COc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1OC ZINC000030955691 556390050 /nfs/dbraw/zinc/39/00/50/556390050.db2.gz ILIBADMQPWTLMA-KRWDZBQOSA-N 1 1 450.539 3.843 50 0 JHAAMO O=C(c1ccc[nH]c1=O)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000032828183 556505609 /nfs/dbraw/zinc/50/56/09/556505609.db2.gz BBPXNRYZWNPCQW-UHFFFAOYSA-N 1 1 458.381 3.824 50 0 JHAAMO COCCn1c(C)cc(O)c([C@@H](c2cccc(F)c2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000008611829 562947749 /nfs/dbraw/zinc/94/77/49/562947749.db2.gz UGYXDZBHDWRJGO-RUZDIDTESA-N 1 1 451.542 3.559 50 0 JHAAMO Cc1cc(=O)c(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1-c1ccccc1C(F)(F)F ZINC000060015891 569608382 /nfs/dbraw/zinc/60/83/82/569608382.db2.gz FSLPRWVLGXBJGR-XHSDSOJGSA-N 1 1 450.505 3.656 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000032995233 569610097 /nfs/dbraw/zinc/61/00/97/569610097.db2.gz XKSJZIPDQRFFPJ-HNNXBMFYSA-N 1 1 450.008 3.757 50 0 JHAAMO O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000062573909 569611478 /nfs/dbraw/zinc/61/14/78/569611478.db2.gz DYQZLEBUEUOSNN-UHFFFAOYSA-N 1 1 496.505 3.874 50 0 JHAAMO COc1cc(NC(=O)N2CCC(CC(=O)NCC[N@@H+](C)C3CCCCC3)CC2)cc(OC)c1OC ZINC000064846847 569638940 /nfs/dbraw/zinc/63/89/40/569638940.db2.gz QRJQIOVAABDYPH-UHFFFAOYSA-N 1 1 490.645 3.727 50 0 JHAAMO Cc1noc2nc(CCC(=O)NCCC[N@H+]3CCc4ccccc4C3)nc(N3C[C@H](C)C[C@H](C)C3)c12 ZINC000065056760 569654254 /nfs/dbraw/zinc/65/42/54/569654254.db2.gz GWHRLDRXURZVQH-BGYRXZFFSA-N 1 1 490.652 3.906 50 0 JHAAMO C[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061884 569655664 /nfs/dbraw/zinc/65/56/64/569655664.db2.gz HHFAZKBKLWTYAG-GOSISDBHSA-N 1 1 455.690 3.556 50 0 JHAAMO COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1CN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000034757800 569657062 /nfs/dbraw/zinc/65/70/62/569657062.db2.gz VFFLWHPMMMFFNZ-UHFFFAOYSA-N 1 1 493.995 3.881 50 0 JHAAMO Cc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccccc2C)CC3)c1 ZINC000034757890 569657085 /nfs/dbraw/zinc/65/70/85/569657085.db2.gz FGYUQMZRAMMACC-UHFFFAOYSA-N 1 1 457.578 3.836 50 0 JHAAMO Cc1ccccc1C(=O)N1CCc2nc(N3CC[NH+](C)CC3)nc(Oc3ccc(F)c(C)c3)c2C1 ZINC000034758558 569657380 /nfs/dbraw/zinc/65/73/80/569657380.db2.gz ZMGNSWFARXZDIB-UHFFFAOYSA-N 1 1 475.568 3.975 50 0 JHAAMO Cc1cc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccc(F)cc2F)CC3)ccc1F ZINC000034760444 569657654 /nfs/dbraw/zinc/65/76/54/569657654.db2.gz VBBJFHXKQTYRSH-UHFFFAOYSA-N 1 1 497.521 3.945 50 0 JHAAMO CCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CC[NH+](CC)CC2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928195 569673493 /nfs/dbraw/zinc/67/34/93/569673493.db2.gz IJFMKXWZMHPOLJ-JWQCQUIFSA-N 1 1 495.620 3.567 50 0 JHAAMO COc1ccc(-c2noc(-c3cccn3CC(=O)N3CC[NH+](Cc4ccccc4)CC3)n2)cc1OC ZINC000067208058 569678529 /nfs/dbraw/zinc/67/85/29/569678529.db2.gz FBTVRIRGAQZSQP-UHFFFAOYSA-N 1 1 487.560 3.567 50 0 JHAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(Br)cc3F)[nH]c(=O)c2C1 ZINC000067291753 569685755 /nfs/dbraw/zinc/68/57/55/569685755.db2.gz VJULFXPSCXEZDI-UHFFFAOYSA-N 1 1 455.353 3.583 50 0 JHAAMO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cc(N3CCCC3)nc(C)[nH+]2)CC1 ZINC000067612322 569688705 /nfs/dbraw/zinc/68/87/05/569688705.db2.gz XYKIKBOTASNISY-UHFFFAOYSA-N 1 1 466.973 3.964 50 0 JHAAMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc4c(c3)CCC4)C2)cc1 ZINC000078729224 569706548 /nfs/dbraw/zinc/70/65/48/569706548.db2.gz QNACAUJBQUXBGM-FQEVSTJZSA-N 1 1 455.624 3.503 50 0 JHAAMO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(C)c1 ZINC000078732884 569706593 /nfs/dbraw/zinc/70/65/93/569706593.db2.gz GOPBTGJBGTUFMB-HXUWFJFHSA-N 1 1 479.556 3.735 50 0 JHAAMO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(C)c1 ZINC000078732884 569706595 /nfs/dbraw/zinc/70/65/95/569706595.db2.gz GOPBTGJBGTUFMB-HXUWFJFHSA-N 1 1 479.556 3.735 50 0 JHAAMO CC(C)[C@@H](C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000084706014 569709564 /nfs/dbraw/zinc/70/95/64/569709564.db2.gz WICHQHIYRQSFCR-OPYAIIAOSA-N 1 1 451.011 3.540 50 0 JHAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 ZINC000085876641 569715871 /nfs/dbraw/zinc/71/58/71/569715871.db2.gz GVXSREFKHRCEHX-XUZZJYLKSA-N 1 1 488.588 3.587 50 0 biogenic JHAAMO O=C(NC[C@@H]1CCCO1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035908083 569723906 /nfs/dbraw/zinc/72/39/06/569723906.db2.gz RELDWTWMSMMLHR-JAXLGGSGSA-N 1 1 451.533 3.606 50 0 JHAAMO COc1cccc([C@H](CC(=O)NCCC[NH+]2CCOCC2)c2c[nH]c3ccccc32)c1OC ZINC000035910722 569725943 /nfs/dbraw/zinc/72/59/43/569725943.db2.gz YRVZDXCNMJJDRF-NRFANRHFSA-N 1 1 451.567 3.546 50 0 JHAAMO COCCn1c(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nnc1-c1ccccc1Cl ZINC000095925589 569730191 /nfs/dbraw/zinc/73/01/91/569730191.db2.gz IJFHPKWZZQXULY-UHFFFAOYSA-N 1 1 486.041 3.925 50 0 JHAAMO Cc1ccccc1CS(=O)(=O)c1ncc(CN(CC[NH+](C)C)C(=O)CC(C)C)n1CC(C)C ZINC000096211173 569738259 /nfs/dbraw/zinc/73/82/59/569738259.db2.gz OETZHAZBFNVSRV-UHFFFAOYSA-N 1 1 476.687 3.758 50 0 JHAAMO O[C@H](COCc1ccc2c(c1)OCO2)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000096682219 569742834 /nfs/dbraw/zinc/74/28/34/569742834.db2.gz GQDPBEWQFUINBJ-VWLOTQADSA-N 1 1 460.574 3.700 50 0 JHAAMO Cc1ccc(C(=O)N2CCN([C@@H](C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)C3CCCC3)CC2)cc1 ZINC000036256864 569758789 /nfs/dbraw/zinc/75/87/89/569758789.db2.gz WEODNKSSRYCEDO-JYFHCDHNSA-N 1 1 468.686 3.692 50 0 JHAAMO CCCCOC[C@H](O)C[NH+]1CCN(c2nc(C)nc(CC)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340771 569763991 /nfs/dbraw/zinc/76/39/91/569763991.db2.gz VKFCXVIBJRJLGC-JOCHJYFZSA-N 1 1 461.050 3.891 50 0 JHAAMO Cn1cccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000036341884 569764821 /nfs/dbraw/zinc/76/48/21/569764821.db2.gz HTNIDEXSJQVWBU-SANMLTNESA-N 1 1 459.569 3.660 50 0 JHAAMO CCOc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000036342559 569765859 /nfs/dbraw/zinc/76/58/59/569765859.db2.gz SWJIGHOIZREQPN-HSZRJFAPSA-N 1 1 468.985 3.614 50 0 JHAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1coc(=O)c(C[NH+](C)Cc3ccccc3)c1[O-])CC2 ZINC000100796219 569770263 /nfs/dbraw/zinc/77/02/63/569770263.db2.gz OQQIXKYVDYWZBP-UHFFFAOYSA-N 1 1 450.535 3.553 50 0 biogenic JHAAMO COc1cc2c(cc1OC)C[NH+](Cc1coc(=O)c(C[N@H+](C)Cc3ccccc3)c1[O-])CC2 ZINC000100796219 569770264 /nfs/dbraw/zinc/77/02/64/569770264.db2.gz OQQIXKYVDYWZBP-UHFFFAOYSA-N 1 1 450.535 3.553 50 0 biogenic JHAAMO COc1cc2c(cc1OC)C[NH+](Cc1coc(=O)c(C[N@@H+](C)Cc3ccccc3)c1[O-])CC2 ZINC000100796219 569770265 /nfs/dbraw/zinc/77/02/65/569770265.db2.gz OQQIXKYVDYWZBP-UHFFFAOYSA-N 1 1 450.535 3.553 50 0 biogenic JHAAMO COc1ccc(-c2nc(C(=O)N3c4ccccc4CC[C@H]3C(=O)N3CC[NH+](C)CC3)cs2)cc1 ZINC000036397973 569775303 /nfs/dbraw/zinc/77/53/03/569775303.db2.gz ZPQZHEWDQOEWFD-QHCPKHFHSA-N 1 1 476.602 3.554 50 0 JHAAMO Cc1sc2nc(CS[C@@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)[nH]c(=O)c2c1C ZINC000036697681 569780111 /nfs/dbraw/zinc/78/01/11/569780111.db2.gz BIYKOMTWKNFGHK-FUHWJXTLSA-N 1 1 456.637 3.614 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccccc2N2CCC(NC(=S)Nc3ccc(F)cc3)CC2)CC1 ZINC000037525316 569793493 /nfs/dbraw/zinc/79/34/93/569793493.db2.gz POGNKVPRWHBVCQ-UHFFFAOYSA-N 1 1 469.630 3.559 50 0 JHAAMO COc1ccc(C(=O)N2CCO[C@@H](C[N@@H+]3CCCN(C(=O)c4ccc5ccccc5c4)CC3)C2)cc1 ZINC000037612212 569799491 /nfs/dbraw/zinc/79/94/91/569799491.db2.gz KXYXEZBAOMEWNK-MHZLTWQESA-N 1 1 487.600 3.538 50 0 JHAAMO COc1ccc(C(=O)N2CCO[C@@H](C[N@H+]3CCCN(C(=O)c4ccc5ccccc5c4)CC3)C2)cc1 ZINC000037612212 569799492 /nfs/dbraw/zinc/79/94/92/569799492.db2.gz KXYXEZBAOMEWNK-MHZLTWQESA-N 1 1 487.600 3.538 50 0 JHAAMO CCOC(=O)C1CC[NH+]([C@H](c2ccccn2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000038545801 569802573 /nfs/dbraw/zinc/80/25/73/569802573.db2.gz ILUMHEMRNATFKG-RUZDIDTESA-N 1 1 461.562 3.670 50 0 JHAAMO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCC[N@@H+](C)Cc3ccccc3)cc21 ZINC000040450356 569828402 /nfs/dbraw/zinc/82/84/02/569828402.db2.gz MAIHZSJXTYUINP-UHFFFAOYSA-N 1 1 494.455 3.549 50 0 JHAAMO Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)CC[N@@H+]2Cc3ccccc3O[C@@H](c3ccccc3)C2)C1 ZINC000104360983 569845251 /nfs/dbraw/zinc/84/52/51/569845251.db2.gz TZDWTPRZPSGLDV-ILBGXUMGSA-N 1 1 472.589 3.867 50 0 JHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1 ZINC000049581400 569849112 /nfs/dbraw/zinc/84/91/12/569849112.db2.gz DRAIAMACLQFFLK-HXUWFJFHSA-N 1 1 472.549 3.521 50 0 JHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1 ZINC000049581400 569849113 /nfs/dbraw/zinc/84/91/13/569849113.db2.gz DRAIAMACLQFFLK-HXUWFJFHSA-N 1 1 472.549 3.521 50 0 JHAAMO CCC[C@@H](O)C[N@H+](CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000105003942 569849362 /nfs/dbraw/zinc/84/93/62/569849362.db2.gz NVTRQGLCIFMDQT-DENIHFKCSA-N 1 1 464.603 3.501 50 0 JHAAMO CCC[C@@H](O)C[N@@H+](CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000105003942 569849364 /nfs/dbraw/zinc/84/93/64/569849364.db2.gz NVTRQGLCIFMDQT-DENIHFKCSA-N 1 1 464.603 3.501 50 0 JHAAMO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](O)COC(C)C)C2CC2)c1 ZINC000105004315 569849606 /nfs/dbraw/zinc/84/96/06/569849606.db2.gz ATNLTCLREMWZCW-QPPBQGQZSA-N 1 1 472.651 3.812 50 0 JHAAMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000138244730 569865819 /nfs/dbraw/zinc/86/58/19/569865819.db2.gz NADAMMMMTDIMII-AVJFOWIRSA-N 1 1 457.917 3.924 50 0 JHAAMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000138244730 569865820 /nfs/dbraw/zinc/86/58/20/569865820.db2.gz NADAMMMMTDIMII-AVJFOWIRSA-N 1 1 457.917 3.924 50 0 JHAAMO COCCCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169679359 569869619 /nfs/dbraw/zinc/86/96/19/569869619.db2.gz WXTCJYURTFLLIO-GGAORHGYSA-N 1 1 479.518 3.860 50 0 JHAAMO Cc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21c2ccccc2-n2c1nc1ccccc1c2=O ZINC000229699794 570040990 /nfs/dbraw/zinc/04/09/90/570040990.db2.gz DRWOXYHLJRPGPQ-SODQHWRNSA-N 1 1 488.547 3.535 50 0 JHAAMO Cc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21c2ccccc2-n2c1nc1ccccc1c2=O ZINC000229699794 570040991 /nfs/dbraw/zinc/04/09/91/570040991.db2.gz DRWOXYHLJRPGPQ-SODQHWRNSA-N 1 1 488.547 3.535 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229894004 570041818 /nfs/dbraw/zinc/04/18/18/570041818.db2.gz KZUDYHWLXJBKJQ-FBAVSBLXSA-N 1 1 460.292 3.564 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229894004 570041819 /nfs/dbraw/zinc/04/18/19/570041819.db2.gz KZUDYHWLXJBKJQ-FBAVSBLXSA-N 1 1 460.292 3.564 50 0 JHAAMO O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229899931 570042012 /nfs/dbraw/zinc/04/20/12/570042012.db2.gz NADAMMMMTDIMII-MSZDEVHKSA-N 1 1 457.917 3.924 50 0 JHAAMO O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229899931 570042014 /nfs/dbraw/zinc/04/20/14/570042014.db2.gz NADAMMMMTDIMII-MSZDEVHKSA-N 1 1 457.917 3.924 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245247202 570059204 /nfs/dbraw/zinc/05/92/04/570059204.db2.gz ROCOQYPETNYMGR-ORQYLMBXSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245247202 570059206 /nfs/dbraw/zinc/05/92/06/570059206.db2.gz ROCOQYPETNYMGR-ORQYLMBXSA-N 1 1 456.329 3.733 50 0 JHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(c2nc3ccccc3n(Cc3ccc(C)cc3)c2=O)C1 ZINC000245343216 570067252 /nfs/dbraw/zinc/06/72/52/570067252.db2.gz IGSFJMXUABLDNA-ZEQRLZLVSA-N 1 1 487.648 3.570 50 0 JHAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000247878222 570070450 /nfs/dbraw/zinc/07/04/50/570070450.db2.gz PTYYGYVGYINSFO-OSJYTEGDSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000247878222 570070451 /nfs/dbraw/zinc/07/04/51/570070451.db2.gz PTYYGYVGYINSFO-OSJYTEGDSA-N 1 1 456.329 3.733 50 0 JHAAMO COc1ccc([C@H]2[C@@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c3ccccc3C(=O)N2C)cc1 ZINC000253411214 570097708 /nfs/dbraw/zinc/09/77/08/570097708.db2.gz OILQJUJLILEBSB-QKDIEKDRSA-N 1 1 461.606 3.986 50 0 biogenic JHAAMO CC(C)C[N@H+]1CC[C@H](CN(C)C(=O)C[C@]2(c3ccccc3)CC(=O)N(Cc3cccs3)C2=O)C1 ZINC000299762148 570174709 /nfs/dbraw/zinc/17/47/09/570174709.db2.gz RQARSKOANCXBOJ-JIPXPUAJSA-N 1 1 481.662 3.771 50 0 JHAAMO COc1ccc(CCN(C)C(=O)[C@H]2CCC[N@@H+](Cc3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000009933449 195025362 /nfs/dbraw/zinc/02/53/62/195025362.db2.gz ZSVFHKDJJXZKOL-NRFANRHFSA-N 1 1 486.609 3.643 50 0 JHAAMO CCC[N@@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC)Cc1ccccc1 ZINC000012767676 195115003 /nfs/dbraw/zinc/11/50/03/195115003.db2.gz UFJFTJGXZVNMSJ-UHFFFAOYSA-N 1 1 459.612 3.721 50 0 JHAAMO COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC([NH+]3CCOCC3)CC2)c(F)c1 ZINC000012835403 195151461 /nfs/dbraw/zinc/15/14/61/195151461.db2.gz OZLHVROHTXIDIM-UHFFFAOYSA-N 1 1 450.558 3.984 50 0 JHAAMO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012867230 195161903 /nfs/dbraw/zinc/16/19/03/195161903.db2.gz FFVPVONJTKXMER-QGZVFWFLSA-N 1 1 463.409 3.597 50 0 JHAAMO COc1cc(C[N@@H+]2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)ccc1OCc1ccccc1 ZINC000020776742 195224176 /nfs/dbraw/zinc/22/41/76/195224176.db2.gz XJZOMMGOMRAGKQ-UHFFFAOYSA-N 1 1 497.599 3.854 50 0 JHAAMO C[N@H+](CCOc1cccc(Cl)c1)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000021319629 195294053 /nfs/dbraw/zinc/29/40/53/195294053.db2.gz UPZDDDTXINKDJM-GOSISDBHSA-N 1 1 455.864 3.957 50 0 JHAAMO C[N@@H+](CCOc1cccc(Cl)c1)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000021319629 195294055 /nfs/dbraw/zinc/29/40/55/195294055.db2.gz UPZDDDTXINKDJM-GOSISDBHSA-N 1 1 455.864 3.957 50 0 JHAAMO O=C(c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021527814 195306188 /nfs/dbraw/zinc/30/61/88/195306188.db2.gz FEEUMRKCGOCTTJ-UHFFFAOYSA-N 1 1 477.568 3.656 50 0 JHAAMO CCOC(=O)c1ccc(NC(=S)NCC[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000058021428 195362828 /nfs/dbraw/zinc/36/28/28/195362828.db2.gz SIPURLXHWXUVIL-UHFFFAOYSA-N 1 1 461.031 3.934 50 0 JHAAMO COc1cc(CNC(=O)N[C@@H](C[N@H+](C)C2CCN(C)CC2)c2ccccc2)ccc1OC(F)F ZINC000058152977 195367251 /nfs/dbraw/zinc/36/72/51/195367251.db2.gz IZSRTBJLJQMZTL-NRFANRHFSA-N 1 1 476.568 3.863 50 0 JHAAMO COc1cc(CNC(=O)N[C@@H](C[N@@H+](C)C2CCN(C)CC2)c2ccccc2)ccc1OC(F)F ZINC000058152977 195367253 /nfs/dbraw/zinc/36/72/53/195367253.db2.gz IZSRTBJLJQMZTL-NRFANRHFSA-N 1 1 476.568 3.863 50 0 JHAAMO O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000059279568 195396654 /nfs/dbraw/zinc/39/66/54/195396654.db2.gz WKZORLLENLATMV-UHFFFAOYSA-N 1 1 456.546 3.551 50 0 JHAAMO O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccco2)c1)NCCC[NH+]1CCOCC1 ZINC000096236607 130001656 /nfs/dbraw/zinc/00/16/56/130001656.db2.gz VIQJIHZEJGHCFL-UHFFFAOYSA-N 1 1 461.562 3.508 50 0 JHAAMO CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](c4ccc(Br)cc4)[C@H]3C2=O)cc1 ZINC000043732506 518345329 /nfs/dbraw/zinc/34/53/29/518345329.db2.gz MSJUEEZMEODLOC-IVAOSVALSA-N 1 1 453.336 3.977 50 0 JHAAMO C/C=C/c1ccc(OCC[NH+]2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)c(OC)c1 ZINC000022574710 518553702 /nfs/dbraw/zinc/55/37/02/518553702.db2.gz BVZIOMLALAASDG-VOTSOKGWSA-N 1 1 456.583 3.951 50 0 JHAAMO CC(C)C[C@@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)[NH+]1CCOCC1 ZINC000022611802 519211821 /nfs/dbraw/zinc/21/18/21/519211821.db2.gz RXLFLWKBZSBLFH-IBGZPJMESA-N 1 1 480.030 3.618 50 0 JHAAMO CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000014744622 519732434 /nfs/dbraw/zinc/73/24/34/519732434.db2.gz JEQGWHIJSYIIQV-XZOQPEGZSA-N 1 1 477.605 3.753 50 0 JHAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146158 519771651 /nfs/dbraw/zinc/77/16/51/519771651.db2.gz KEEMXKDPOHMTFI-PMACEKPBSA-N 1 1 460.958 3.850 50 0 JHAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146158 519771652 /nfs/dbraw/zinc/77/16/52/519771652.db2.gz KEEMXKDPOHMTFI-PMACEKPBSA-N 1 1 460.958 3.850 50 0 JHAAMO CC(C)OC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)CC1CC1 ZINC000036310185 519771948 /nfs/dbraw/zinc/77/19/48/519771948.db2.gz BJPMZBVDTOYAQI-URXFXBBRSA-N 1 1 490.641 3.890 50 0 JHAAMO CCCc1c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(=O)cc(C)n1Cc1ccc2c(c1)OCO2 ZINC000012244828 521333891 /nfs/dbraw/zinc/33/38/91/521333891.db2.gz MDIAXNQFHBPQAV-FCHUYYIVSA-N 1 1 479.621 3.881 50 0 JHAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000022457528 521693340 /nfs/dbraw/zinc/69/33/40/521693340.db2.gz NTRYPVBJLOOOHU-DNVCBOLYSA-N 1 1 472.474 3.556 50 0 JHAAMO COC(=O)c1c(OC2CCCC2)cc(=O)n2c1CC[N@H+]([C@@H](C)CCc1ccc(OC)cc1)CC2 ZINC000014982728 521774950 /nfs/dbraw/zinc/77/49/50/521774950.db2.gz OBWYOAZTIYWYKQ-IBGZPJMESA-N 1 1 468.594 3.844 50 0 JHAAMO COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022714099 522014992 /nfs/dbraw/zinc/01/49/92/522014992.db2.gz CQZKJJGFPUQWBT-UHFFFAOYSA-N 1 1 498.558 3.928 50 0 JHAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CC[N@H+](CCC1=C(C)CCCC1(C)C)CC2 ZINC000012242627 522019015 /nfs/dbraw/zinc/01/90/15/522019015.db2.gz ORVWOTJNOWYVRN-UHFFFAOYSA-N 1 1 495.668 3.648 50 0 JHAAMO COc1ccc(-c2nc(S[C@H](CC(=O)NCCC[NH+]3CCOCC3)c3ccc(C)cc3)n[nH]2)cc1 ZINC000015441397 523179250 /nfs/dbraw/zinc/17/92/50/523179250.db2.gz WMYOZSISCPWTSA-HSZRJFAPSA-N 1 1 495.649 3.851 50 0 JHAAMO COc1ccc(-c2noc3ncnc(N4CCC(C(=O)NCC[N@H+]5CCCC[C@H]5C)CC4)c32)cc1 ZINC000033084950 523305310 /nfs/dbraw/zinc/30/53/10/523305310.db2.gz IEPBFPDRPDWUMW-GOSISDBHSA-N 1 1 478.597 3.500 50 0 JHAAMO COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CC[NH+](Cc2nc4ccccc4n2C)CC3)cc1 ZINC000014754192 523945624 /nfs/dbraw/zinc/94/56/24/523945624.db2.gz QGSRTURPWPCWSZ-UHFFFAOYSA-N 1 1 489.620 3.832 50 0 JHAAMO CN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)Nc1ccc(Br)cc1F)C[C@H]1CCC[N@H+]12 ZINC000036146265 524035861 /nfs/dbraw/zinc/03/58/61/524035861.db2.gz PLFGFYKBRYRNEN-RQVMVGKASA-N 1 1 458.331 3.883 50 0 biogenic JHAAMO COc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)c4c(F)cccc4F)n3CC2)c2ccccc12 ZINC000014884128 524039465 /nfs/dbraw/zinc/03/94/65/524039465.db2.gz SSOIDLFLAIEZSK-UHFFFAOYSA-N 1 1 477.515 3.706 50 0 JHAAMO Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020386706 524190703 /nfs/dbraw/zinc/19/07/03/524190703.db2.gz NQDDYWTWRNNTTN-UHFFFAOYSA-N 1 1 477.630 3.516 50 0 JHAAMO COc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@H+](Cc2ccccc2)CC3)c(OC)c1 ZINC000035457241 524527507 /nfs/dbraw/zinc/52/75/07/524527507.db2.gz DFNHHIKEAPFIKL-UHFFFAOYSA-N 1 1 476.577 3.581 50 0 JHAAMO COc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@@H+](Cc2ccccc2)CC3)c(OC)c1 ZINC000035457241 524527515 /nfs/dbraw/zinc/52/75/15/524527515.db2.gz DFNHHIKEAPFIKL-UHFFFAOYSA-N 1 1 476.577 3.581 50 0 JHAAMO Cc1cccc(N2CC[NH+](CCNC(=O)[C@@H]3CCCN(c4nc5cc(Cl)ccc5[nH]4)C3)CC2)c1C ZINC000033071599 524555253 /nfs/dbraw/zinc/55/52/53/524555253.db2.gz MTEKRPVYHIMKQV-OAQYLSRUSA-N 1 1 495.071 3.988 50 0 JHAAMO Cc1ccc(CNC(=O)c2ccc(C[N@H+]3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)cc1C ZINC000033280353 524558404 /nfs/dbraw/zinc/55/84/04/524558404.db2.gz SABRZDPYBJUDRR-UHFFFAOYSA-N 1 1 485.632 3.761 50 0 JHAAMO Cc1ccc(CNC(=O)c2ccc(C[N@@H+]3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)cc1C ZINC000033280353 524558409 /nfs/dbraw/zinc/55/84/09/524558409.db2.gz SABRZDPYBJUDRR-UHFFFAOYSA-N 1 1 485.632 3.761 50 0 JHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc(OC)c(OC)c4)CC3)n2)cc1 ZINC000022698373 524713110 /nfs/dbraw/zinc/71/31/10/524713110.db2.gz MNUCNDJLOREQMW-UHFFFAOYSA-N 1 1 463.538 3.517 50 0 JHAAMO Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2C[C@@H]3CCC[N@H+]3[C@@]23C(=O)Nc2ccccc23)CC1 ZINC000020512893 524733637 /nfs/dbraw/zinc/73/36/37/524733637.db2.gz QJWNJKHSANGATK-HEKZAOSPSA-N 1 1 464.997 3.629 50 0 biogenic JHAAMO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)COC(C)C)C2CC2)c1 ZINC000036309473 524758928 /nfs/dbraw/zinc/75/89/28/524758928.db2.gz ATNLTCLREMWZCW-XUZZJYLKSA-N 1 1 472.651 3.812 50 0 JHAAMO Cc1ccccc1-c1cccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c1 ZINC000014878818 525005608 /nfs/dbraw/zinc/00/56/08/525005608.db2.gz NRIOQCRAOBDVFI-UHFFFAOYSA-N 1 1 455.562 3.877 50 0 JHAAMO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022787492 526146685 /nfs/dbraw/zinc/14/66/85/526146685.db2.gz HJFVQGXFNHSVSF-HXUWFJFHSA-N 1 1 452.599 3.728 50 0 JHAAMO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022787492 526146692 /nfs/dbraw/zinc/14/66/92/526146692.db2.gz HJFVQGXFNHSVSF-HXUWFJFHSA-N 1 1 452.599 3.728 50 0 JHAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000013304712 526194414 /nfs/dbraw/zinc/19/44/14/526194414.db2.gz LGFPJEZXHKNMDN-JTHBVZDNSA-N 1 1 472.566 3.820 50 0 JHAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000013304712 526194424 /nfs/dbraw/zinc/19/44/24/526194424.db2.gz LGFPJEZXHKNMDN-JTHBVZDNSA-N 1 1 472.566 3.820 50 0 JHAAMO O=C([C@@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035482952 526469296 /nfs/dbraw/zinc/46/92/96/526469296.db2.gz BEBHNTPRWXFJDZ-HSZRJFAPSA-N 1 1 459.569 3.844 50 0 JHAAMO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC([C@H](C)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000065006510 526568071 /nfs/dbraw/zinc/56/80/71/526568071.db2.gz UKWOSLCKEBWMDH-FQEVSTJZSA-N 1 1 498.693 3.754 50 0 JHAAMO Cn1c(=O)c2cc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)sc2c2ccccc21 ZINC000008596091 527026110 /nfs/dbraw/zinc/02/61/10/527026110.db2.gz BIEMTTNFIIKGQF-UHFFFAOYSA-N 1 1 478.593 3.834 50 0 JHAAMO Cn1c(SC[C@H]2CCCO2)nnc1C1CC[NH+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000014972123 527086685 /nfs/dbraw/zinc/08/66/85/527086685.db2.gz ZDNNMOSAMIXALN-MRXNPFEDSA-N 1 1 450.992 3.848 50 0 JHAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2cccc(F)c2)C[N@@H+](Cc2ccncc2)C1 ZINC000014743483 527204520 /nfs/dbraw/zinc/20/45/20/527204520.db2.gz SGJIMSRMQWRSPC-LEWJYISDSA-N 1 1 464.516 3.753 50 0 JHAAMO O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020415743 527423920 /nfs/dbraw/zinc/42/39/20/527423920.db2.gz MIBWPXOKBIIFIO-UHFFFAOYSA-N 1 1 491.595 3.744 50 0 JHAAMO Cc1nn(C)c(C)c1C[N@@H+](C1CC1)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000014990169 527627186 /nfs/dbraw/zinc/62/71/86/527627186.db2.gz SMOVUYCJDORDBN-IBGZPJMESA-N 1 1 458.990 3.965 50 0 JHAAMO O=C(NCCCN1CCOCC1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccccc2)C1 ZINC000014750078 527670449 /nfs/dbraw/zinc/67/04/49/527670449.db2.gz QRIHGAOTNGFYJB-LBNVMWSVSA-N 1 1 491.676 3.531 50 0 JHAAMO CCN(CC)c1ccc(-c2nc3c(n2C)CC[N@H+](C[C@H](O)c2ccc(OC)cc2)C3)c(O)c1 ZINC000001269586 553939007 /nfs/dbraw/zinc/93/90/07/553939007.db2.gz GPIBRPNEPLCHPH-VWLOTQADSA-N 1 1 450.583 3.739 50 0 JHAAMO CCN(CC)c1ccc(-c2nc3c(n2C)CC[N@@H+](C[C@H](O)c2ccc(OC)cc2)C3)c(O)c1 ZINC000001269586 553939008 /nfs/dbraw/zinc/93/90/08/553939008.db2.gz GPIBRPNEPLCHPH-VWLOTQADSA-N 1 1 450.583 3.739 50 0 JHAAMO Cc1ccccc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000008764995 554665622 /nfs/dbraw/zinc/66/56/22/554665622.db2.gz DRWOXYHLJRPGPQ-FJRSXGRASA-N 1 1 488.547 3.535 50 0 JHAAMO Cc1ccccc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000008764995 554665624 /nfs/dbraw/zinc/66/56/24/554665624.db2.gz DRWOXYHLJRPGPQ-FJRSXGRASA-N 1 1 488.547 3.535 50 0 JHAAMO CC1=C(C(=O)Nc2ccccc2C(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)SCCO1 ZINC000009115125 554901837 /nfs/dbraw/zinc/90/18/37/554901837.db2.gz BQWLYCNEEBKKFM-UHFFFAOYSA-N 1 1 498.624 3.701 50 0 JHAAMO CCOC(=O)c1ccc(NC(=O)[C@@H](CC)[NH+]2CCC(C(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000013353691 555381910 /nfs/dbraw/zinc/38/19/10/555381910.db2.gz BIHPRYJTJDCLPS-SELNLUPBSA-N 1 1 457.615 3.797 50 0 JHAAMO O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000013479821 555403238 /nfs/dbraw/zinc/40/32/38/555403238.db2.gz DFUYPIJGFLCHND-UHFFFAOYSA-N 1 1 455.558 3.970 50 0 JHAAMO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000009593764 555409326 /nfs/dbraw/zinc/40/93/26/555409326.db2.gz KQZKVJSWZONYFR-QFIPXVFZSA-N 1 1 471.623 3.818 50 0 JHAAMO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCC[NH+]4CCOCC4)c(Cl)c3n2)cc1 ZINC000019855631 555513081 /nfs/dbraw/zinc/51/30/81/555513081.db2.gz MEOWZZDFSASWGC-UHFFFAOYSA-N 1 1 497.905 3.529 50 0 JHAAMO COC(=O)c1ccc(CN2CC[C@H]([NH+]3CCN([C@H]4CCc5ccccc5C4)CC3)CCC2=O)cc1 ZINC000019938888 555557262 /nfs/dbraw/zinc/55/72/62/555557262.db2.gz TVZFFLROFCOLCE-SXOMAYOGSA-N 1 1 475.633 3.529 50 0 JHAAMO O=C1C[C@@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CN1c1ccc(Br)cc1 ZINC000019939659 555557844 /nfs/dbraw/zinc/55/78/44/555557844.db2.gz VOORCADSKYLFHX-QGZVFWFLSA-N 1 1 469.383 3.652 50 0 JHAAMO CC(C)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000020116129 555653555 /nfs/dbraw/zinc/65/35/55/555653555.db2.gz ZULRTHAIHZDBNG-LALQNZDNSA-N 1 1 481.681 3.747 50 0 JHAAMO O=C([C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020138901 555662205 /nfs/dbraw/zinc/66/22/05/555662205.db2.gz DDKQLHHRZLNOCH-RRPNLBNLSA-N 1 1 451.570 3.868 50 0 JHAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000010278470 555671697 /nfs/dbraw/zinc/67/16/97/555671697.db2.gz BDXORDIZKPLPFW-HSZRJFAPSA-N 1 1 456.546 3.995 50 0 JHAAMO O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000014190032 555728591 /nfs/dbraw/zinc/72/85/91/555728591.db2.gz ABHARTUKABRECN-LJQANCHMSA-N 1 1 455.605 3.801 50 0 JHAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020283883 555753227 /nfs/dbraw/zinc/75/32/27/555753227.db2.gz PTXVGSUXINJWCF-YADARESESA-N 1 1 479.577 3.755 50 0 JHAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020283883 555753229 /nfs/dbraw/zinc/75/32/29/555753229.db2.gz PTXVGSUXINJWCF-YADARESESA-N 1 1 479.577 3.755 50 0 JHAAMO CCOC(=O)[C@@H]1CCCC[N@H+]1C1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 ZINC000011785488 555818008 /nfs/dbraw/zinc/81/80/08/555818008.db2.gz CXAJBJHVPKTVBP-DEOSSOPVSA-N 1 1 493.604 3.732 50 0 JHAAMO COc1cccc(Cn2nc(C(=O)N3CCC[C@@H](O)C3)c3c2CC[N@@H+](CCCc2ccccc2)C3)c1 ZINC000014535840 555824670 /nfs/dbraw/zinc/82/46/70/555824670.db2.gz LPQKFZRFDZGOIE-XMMPIXPASA-N 1 1 488.632 3.528 50 0 JHAAMO CCCN1CCC([NH+]2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CCc2ccccc2)CC1 ZINC000014540650 555830852 /nfs/dbraw/zinc/83/08/52/555830852.db2.gz LIZYYVXTRUNFQU-UHFFFAOYSA-N 1 1 489.664 3.798 50 0 JHAAMO CCC[NH+]1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CCc2ccccc2)CC1 ZINC000014540650 555830856 /nfs/dbraw/zinc/83/08/56/555830856.db2.gz LIZYYVXTRUNFQU-UHFFFAOYSA-N 1 1 489.664 3.798 50 0 JHAAMO Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@H+](C)CC3)N(Cc3c(F)cccc3Cl)C2)n1 ZINC000011871858 555847112 /nfs/dbraw/zinc/84/71/12/555847112.db2.gz OFIYATQJRKMEDP-GCJKJVERSA-N 1 1 492.064 3.785 50 0 JHAAMO C[N@H+](CCOc1ccccc1Cl)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000022242313 555895790 /nfs/dbraw/zinc/89/57/90/555895790.db2.gz BFBGMJDBGPMMFU-GOSISDBHSA-N 1 1 455.864 3.957 50 0 JHAAMO C[N@@H+](CCOc1ccccc1Cl)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000022242313 555895792 /nfs/dbraw/zinc/89/57/92/555895792.db2.gz BFBGMJDBGPMMFU-GOSISDBHSA-N 1 1 455.864 3.957 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000015681240 555950322 /nfs/dbraw/zinc/95/03/22/555950322.db2.gz ILKKCUBPMAUNBB-QFIPXVFZSA-N 1 1 488.636 3.506 50 0 JHAAMO O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000012342386 555955210 /nfs/dbraw/zinc/95/52/10/555955210.db2.gz ASVRFKIOTAJDIC-XMMPIXPASA-N 1 1 472.614 3.804 50 0 JHAAMO O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000012342386 555955214 /nfs/dbraw/zinc/95/52/14/555955214.db2.gz ASVRFKIOTAJDIC-XMMPIXPASA-N 1 1 472.614 3.804 50 0 JHAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)N4CCCc5ccccc54)C3)n2)cc1OC ZINC000015726057 555963159 /nfs/dbraw/zinc/96/31/59/555963159.db2.gz VFPSEWLSNNFQFS-HXUWFJFHSA-N 1 1 462.550 3.945 50 0 JHAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)N4CCCc5ccccc54)C3)n2)cc1OC ZINC000015726057 555963163 /nfs/dbraw/zinc/96/31/63/555963163.db2.gz VFPSEWLSNNFQFS-HXUWFJFHSA-N 1 1 462.550 3.945 50 0 JHAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)n2)cc1OC ZINC000015726375 555964659 /nfs/dbraw/zinc/96/46/59/555964659.db2.gz VVGMZEQMMLBDPV-UHFFFAOYSA-N 1 1 484.984 3.978 50 0 JHAAMO COc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)cc1 ZINC000015726407 555964800 /nfs/dbraw/zinc/96/48/00/555964800.db2.gz LZLCPAPLWKBXFL-UHFFFAOYSA-N 1 1 452.511 3.613 50 0 JHAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCCCc4ccccc4)CC3)n2)cc1OC ZINC000015726513 555965100 /nfs/dbraw/zinc/96/51/00/555965100.db2.gz PAOUZLYQKSTHHS-UHFFFAOYSA-N 1 1 464.566 3.715 50 0 JHAAMO Cc1c(Cl)cccc1NC(=O)CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCCC2 ZINC000022909279 555967058 /nfs/dbraw/zinc/96/70/58/555967058.db2.gz HMUITKYENWSJKF-UHFFFAOYSA-N 1 1 491.057 3.537 50 0 JHAAMO Cc1ccc(NC(=O)CN2CC[NH+](C[C@H](O)COC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022933409 555986015 /nfs/dbraw/zinc/98/60/15/555986015.db2.gz ZMBGPTIHAIPPON-MHZLTWQESA-N 1 1 473.617 3.718 50 0 JHAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1)Nc1ccc(Br)cc1F ZINC000022934806 555987383 /nfs/dbraw/zinc/98/73/83/555987383.db2.gz AHYSORREAZKZJL-UHFFFAOYSA-N 1 1 497.796 3.827 50 0 JHAAMO COc1ccccc1[C@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)[NH+](C)C ZINC000012526323 555994831 /nfs/dbraw/zinc/99/48/31/555994831.db2.gz CLGUOWLOHYPJQO-QHCPKHFHSA-N 1 1 467.591 3.837 50 0 JHAAMO COc1ccccc1[C@H](CNC(=O)CCc1c(C)nc(SCc2ccccc2)[nH]c1=O)[NH+](C)C ZINC000023185218 556029472 /nfs/dbraw/zinc/02/94/72/556029472.db2.gz PZFKAYYWXIDOSY-QFIPXVFZSA-N 1 1 480.634 3.731 50 0 JHAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2cc(Br)ccc2OC(F)F)N1)OCCCO4 ZINC000012549557 556029569 /nfs/dbraw/zinc/02/95/69/556029569.db2.gz GQCWKJHHLAFNIY-MRXNPFEDSA-N 1 1 480.269 3.658 50 0 JHAAMO O=C(c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015883330 556058010 /nfs/dbraw/zinc/05/80/10/556058010.db2.gz OTSMGBHGCDGVHC-UHFFFAOYSA-N 1 1 456.521 3.542 50 0 JHAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3ccc(NC(=O)C4=CSCCO4)cc3)C[C@H]2C)c1 ZINC000015942591 556077557 /nfs/dbraw/zinc/07/75/57/556077557.db2.gz NWCRVUNKPIKMNQ-OAQYLSRUSA-N 1 1 494.661 3.869 50 0 JHAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[S@](=O)CC(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000015944420 556080860 /nfs/dbraw/zinc/08/08/60/556080860.db2.gz RVSQVUFQMOPNNC-XHDOVSQSSA-N 1 1 452.020 3.790 50 0 JHAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[S@](=O)CC(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000015944422 556080963 /nfs/dbraw/zinc/08/09/63/556080963.db2.gz RVSQVUFQMOPNNC-BEIWTESXSA-N 1 1 452.020 3.790 50 0 JHAAMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023804737 556088492 /nfs/dbraw/zinc/08/84/92/556088492.db2.gz WFBTZTBDADRPSD-QGZVFWFLSA-N 1 1 463.409 3.597 50 0 JHAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3c2ccc(C)c3C)c(Br)c1 ZINC000016000364 556105003 /nfs/dbraw/zinc/10/50/03/556105003.db2.gz JYFFTTFOFVNVQH-ZDQHKECQSA-N 1 1 494.389 3.806 50 0 JHAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001206 556105963 /nfs/dbraw/zinc/10/59/63/556105963.db2.gz ZVENPOCPTBEMON-UAKAABGRSA-N 1 1 469.463 3.753 50 0 JHAAMO O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016001937 556107321 /nfs/dbraw/zinc/10/73/21/556107321.db2.gz RZMCTNYJWIFFMY-QUMGSSFMSA-N 1 1 493.519 3.565 50 0 JHAAMO O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016001937 556107324 /nfs/dbraw/zinc/10/73/24/556107324.db2.gz RZMCTNYJWIFFMY-QUMGSSFMSA-N 1 1 493.519 3.565 50 0 JHAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)C(C)(C)C)c(OC)c1 ZINC000016039041 556120841 /nfs/dbraw/zinc/12/08/41/556120841.db2.gz ATOYITPMNRJLAL-AFXVXQJMSA-N 1 1 460.530 3.834 50 0 JHAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)C(C)(C)C)c(OC)c1 ZINC000016039041 556120845 /nfs/dbraw/zinc/12/08/45/556120845.db2.gz ATOYITPMNRJLAL-AFXVXQJMSA-N 1 1 460.530 3.834 50 0 JHAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1cccc(I)c1 ZINC000012940617 556154314 /nfs/dbraw/zinc/15/43/14/556154314.db2.gz BCNSWQQXVCUVPO-UHFFFAOYSA-N 1 1 463.319 3.580 50 0 JHAAMO COc1ccccc1[C@H](CNC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)[NH+](C)C ZINC000024927324 556164063 /nfs/dbraw/zinc/16/40/63/556164063.db2.gz ACMLMZJIQGHZBG-FQEVSTJZSA-N 1 1 480.565 3.692 50 0 JHAAMO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1cccc(I)c1 ZINC000012975601 556167896 /nfs/dbraw/zinc/16/78/96/556167896.db2.gz RPHHJPMAKZLQHB-OAHLLOKOSA-N 1 1 463.319 3.580 50 0 JHAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1cccc(I)c1 ZINC000012975601 556167898 /nfs/dbraw/zinc/16/78/98/556167898.db2.gz RPHHJPMAKZLQHB-OAHLLOKOSA-N 1 1 463.319 3.580 50 0 JHAAMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000013038417 556236307 /nfs/dbraw/zinc/23/63/07/556236307.db2.gz WXUVSWWHVYPREQ-FQEVSTJZSA-N 1 1 453.608 3.978 50 0 JHAAMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000013038417 556236310 /nfs/dbraw/zinc/23/63/10/556236310.db2.gz WXUVSWWHVYPREQ-FQEVSTJZSA-N 1 1 453.608 3.978 50 0 JHAAMO CCOC(=O)C1CC[NH+]([C@H](c2ccccc2Cl)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000017296974 556252134 /nfs/dbraw/zinc/25/21/34/556252134.db2.gz GDOZVWBVLSSGFY-JOCHJYFZSA-N 1 1 462.974 3.527 50 0 JHAAMO Cc1c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000026355996 556252419 /nfs/dbraw/zinc/25/24/19/556252419.db2.gz NZRLFROVRNVHFE-UHFFFAOYSA-N 1 1 450.608 3.841 50 0 JHAAMO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000026355996 556252423 /nfs/dbraw/zinc/25/24/23/556252423.db2.gz NZRLFROVRNVHFE-UHFFFAOYSA-N 1 1 450.608 3.841 50 0 JHAAMO CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3nc(Nc4ccccc4)cc(C)[nH+]3)CC2)c1 ZINC000017307254 556254644 /nfs/dbraw/zinc/25/46/44/556254644.db2.gz GJVGLSMFCCSLJT-UHFFFAOYSA-N 1 1 497.621 3.837 50 0 JHAAMO COc1ccccc1[C@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)[NH+](C)C ZINC000018011478 556276205 /nfs/dbraw/zinc/27/62/05/556276205.db2.gz GKFITRGJNBKLKQ-QFIPXVFZSA-N 1 1 471.554 3.668 50 0 JHAAMO C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027573290 556299566 /nfs/dbraw/zinc/29/95/66/556299566.db2.gz BHURJCVHVROIND-HZPDHXFCSA-N 1 1 474.483 3.730 50 0 JHAAMO C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027573290 556299569 /nfs/dbraw/zinc/29/95/69/556299569.db2.gz BHURJCVHVROIND-HZPDHXFCSA-N 1 1 474.483 3.730 50 0 JHAAMO O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013120563 556333148 /nfs/dbraw/zinc/33/31/48/556333148.db2.gz OAQVJBLXTPUUHC-UHFFFAOYSA-N 1 1 450.589 3.531 50 0 JHAAMO COc1cccc(CCNc2ncnc3sc(C(=O)N4CCC([NH+]5CCOCC5)CC4)c(C)c32)c1 ZINC000019225227 556336117 /nfs/dbraw/zinc/33/61/17/556336117.db2.gz XKVQCOQMQDCMMT-UHFFFAOYSA-N 1 1 495.649 3.600 50 0 JHAAMO CN(C)c1cccc(NC(=O)CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2N2CCN(C)CC2)c1 ZINC000019757487 556366468 /nfs/dbraw/zinc/36/64/68/556366468.db2.gz QMRLAQBUPGXSLV-RPLLCQBOSA-N 1 1 463.670 3.609 50 0 JHAAMO CN(C)c1cccc(NC(=O)CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2N2CCN(C)CC2)c1 ZINC000019757487 556366471 /nfs/dbraw/zinc/36/64/71/556366471.db2.gz QMRLAQBUPGXSLV-RPLLCQBOSA-N 1 1 463.670 3.609 50 0 JHAAMO Cc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000019800135 556377308 /nfs/dbraw/zinc/37/73/08/556377308.db2.gz BDFCIPOBNWGNJE-UHFFFAOYSA-N 1 1 463.603 3.535 50 0 JHAAMO COc1c(C)c[nH+]c(CN2CC[NH+]([C@H](C(=O)[O-])c3c[nH]c4cc(Br)ccc43)CC2)c1C ZINC000031807884 556405298 /nfs/dbraw/zinc/40/52/98/556405298.db2.gz MBERFRKAHLBDQX-NRFANRHFSA-N 1 1 487.398 3.894 50 0 JHAAMO CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000032824627 556505237 /nfs/dbraw/zinc/50/52/37/556505237.db2.gz RHJVQNBKRPZVFY-IRXDYDNUSA-N 1 1 468.985 3.848 50 0 JHAAMO Cc1ccc(-c2noc(CN3CC[NH+](C[C@@H](O)CO[C@H](C)c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000032894942 556525157 /nfs/dbraw/zinc/52/51/57/556525157.db2.gz VRIFGXNCMPEJCT-AUSIDOKSSA-N 1 1 471.001 3.955 50 0 JHAAMO CCN1CC[NH+](CCCNC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)CC1 ZINC000032915227 556538687 /nfs/dbraw/zinc/53/86/87/556538687.db2.gz JZIABDGTXOIBQO-UHFFFAOYSA-N 1 1 460.047 3.865 50 0 JHAAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)[C@H](C)Sc2ccccc2)c1 ZINC000032960910 556577293 /nfs/dbraw/zinc/57/72/93/556577293.db2.gz UFUZDDLXEIQXSZ-IBGZPJMESA-N 1 1 490.695 3.588 50 0 JHAAMO O=C(c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000062554431 569610939 /nfs/dbraw/zinc/61/09/39/569610939.db2.gz BIELAMSINKCPIQ-UHFFFAOYSA-N 1 1 489.641 3.829 50 0 JHAAMO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000062602747 569612893 /nfs/dbraw/zinc/61/28/93/569612893.db2.gz VRNUEVWGTPJCBZ-UHFFFAOYSA-N 1 1 484.604 3.848 50 0 JHAAMO O=C1c2cccc(N3CC[NH+](Cc4cccs4)CC3)c2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000064083893 569616135 /nfs/dbraw/zinc/61/61/35/569616135.db2.gz WZEADNGOFFJKMM-UHFFFAOYSA-N 1 1 461.543 3.595 50 0 JHAAMO CCc1cccc(NC(=O)c2cnn3c2n(CC)c2c(c3=O)C[N@H+](Cc3ccccc3)CC2)c1 ZINC000064835947 569636548 /nfs/dbraw/zinc/63/65/48/569636548.db2.gz YQXKZKIVTPSLFU-UHFFFAOYSA-N 1 1 455.562 3.889 50 0 JHAAMO O=S(=O)(c1ccc(F)cc1)N(c1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccn2)CC1 ZINC000034683851 569644608 /nfs/dbraw/zinc/64/46/08/569644608.db2.gz WDUFHGGTQUPTCB-UHFFFAOYSA-N 1 1 469.538 3.809 50 0 JHAAMO COCC(=O)N(C[C@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)C[C@@H]1c1cccc(F)c1)C(C)C ZINC000034740834 569655541 /nfs/dbraw/zinc/65/55/41/569655541.db2.gz UQUTVXUXMKAFKL-PXDATVDWSA-N 1 1 458.574 3.942 50 0 JHAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(C(=O)c2ccccc2F)CC3)CC1 ZINC000034758418 569657400 /nfs/dbraw/zinc/65/74/00/569657400.db2.gz VZOIJELJUVHELJ-UHFFFAOYSA-N 1 1 483.494 3.637 50 0 JHAAMO O=C(COCc1ccccc1)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034787136 569659539 /nfs/dbraw/zinc/65/95/39/569659539.db2.gz XPBDNPYSRFVPJU-MUUNZHRXSA-N 1 1 489.641 3.583 50 0 JHAAMO O=C(COCc1ccccc1)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034787136 569659540 /nfs/dbraw/zinc/65/95/40/569659540.db2.gz XPBDNPYSRFVPJU-MUUNZHRXSA-N 1 1 489.641 3.583 50 0 JHAAMO COc1cccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)c1 ZINC000034787834 569659891 /nfs/dbraw/zinc/65/98/91/569659891.db2.gz MABYHNGQWOOXAC-HHHXNRCGSA-N 1 1 489.641 3.997 50 0 JHAAMO COc1cccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)c1 ZINC000034787834 569659892 /nfs/dbraw/zinc/65/98/92/569659892.db2.gz MABYHNGQWOOXAC-HHHXNRCGSA-N 1 1 489.641 3.997 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2n(n1)CCN(Cc1cccc(C(F)(F)F)c1)C2=O ZINC000034811267 569661855 /nfs/dbraw/zinc/66/18/55/569661855.db2.gz CZUOCPRYZHBJHN-QGZVFWFLSA-N 1 1 477.531 3.552 50 0 JHAAMO CC[NH+]1CCN(c2ccc(NC(=O)C(C)C)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000034919601 569672114 /nfs/dbraw/zinc/67/21/14/569672114.db2.gz XDEKVTQTPNZHKC-QHCPKHFHSA-N 1 1 484.666 3.779 50 0 JHAAMO COC(=O)c1ccc2c(c1)nc(N1CC[NH+](Cc3ccccc3)CC1)n(-c1ccc(C)c(F)c1)c2=O ZINC000065306670 569672166 /nfs/dbraw/zinc/67/21/66/569672166.db2.gz JNUPFZWATWHLQP-UHFFFAOYSA-N 1 1 486.547 3.942 50 0 JHAAMO CCOC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286904 569684128 /nfs/dbraw/zinc/68/41/28/569684128.db2.gz VMPOPLNCMWRDKX-QHCPKHFHSA-N 1 1 472.655 3.530 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1Cc1ccccc1 ZINC000035561396 569704461 /nfs/dbraw/zinc/70/44/61/569704461.db2.gz HCSCUCPNPQFJPK-OAQYLSRUSA-N 1 1 496.677 3.934 50 0 JHAAMO CCc1nc(C(=O)NCc2cccc(NC(=O)C[NH+](C)C)c2)nn1-c1c(Cl)cccc1Cl ZINC000078718657 569706604 /nfs/dbraw/zinc/70/66/04/569706604.db2.gz KZPFIXSJXJNPDA-UHFFFAOYSA-N 1 1 475.380 3.567 50 0 JHAAMO CC(=O)N1c2ccc(S(=O)(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2C[C@@H]1C ZINC000084718081 569709589 /nfs/dbraw/zinc/70/95/89/569709589.db2.gz BYGVSVASKWGEMI-INIZCTEOSA-N 1 1 462.015 3.580 50 0 JHAAMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3cc4occc4n3Cc3ccc(Cl)cc3)CC2)CC1 ZINC000085393315 569710101 /nfs/dbraw/zinc/71/01/01/569710101.db2.gz KJWDRIRRFVINAD-UHFFFAOYSA-N 1 1 468.985 3.562 50 0 JHAAMO COc1ccc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)c(OC)c1 ZINC000085878305 569716316 /nfs/dbraw/zinc/71/63/16/569716316.db2.gz PIJNIJNHAFROQW-WMZHIEFXSA-N 1 1 451.567 3.950 50 0 biogenic JHAAMO O=C(NCC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000035871583 569718952 /nfs/dbraw/zinc/71/89/52/569718952.db2.gz QKPRARAMHIBNDS-UPVQGACJSA-N 1 1 473.539 3.974 50 0 JHAAMO CCn1cc([C@@H](CC(=O)NCCC[NH+]2CCOCC2)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000035872271 569719180 /nfs/dbraw/zinc/71/91/80/569719180.db2.gz WGJGMNGHNQGYKJ-QFIPXVFZSA-N 1 1 463.578 3.750 50 0 JHAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000035991249 569744349 /nfs/dbraw/zinc/74/43/49/569744349.db2.gz MVKSTUUOBBQJRN-XUZZJYLKSA-N 1 1 485.625 3.989 50 0 JHAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000035991249 569744350 /nfs/dbraw/zinc/74/43/50/569744350.db2.gz MVKSTUUOBBQJRN-XUZZJYLKSA-N 1 1 485.625 3.989 50 0 JHAAMO CC(C)Cn1c(CN(CC[NH+](C)C)C(=O)CC(C)(C)C)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036030134 569751502 /nfs/dbraw/zinc/75/15/02/569751502.db2.gz ICZDVVRVOSEXGE-UHFFFAOYSA-N 1 1 476.687 3.839 50 0 JHAAMO COc1ccccc1C1=NN(C(=O)C[NH+]2CCC3(CC2)OCCO3)[C@@H](c2ccccc2Cl)C1 ZINC000036342541 569765900 /nfs/dbraw/zinc/76/59/00/569765900.db2.gz IDQTZJAYNPETGM-JOCHJYFZSA-N 1 1 469.969 3.865 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2cccc(F)c2)C1 ZINC000036344832 569767455 /nfs/dbraw/zinc/76/74/55/569767455.db2.gz DEOBSILEYPFLIR-XXBNENTESA-N 1 1 467.541 3.787 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2cccc(F)c2)C1 ZINC000036344832 569767457 /nfs/dbraw/zinc/76/74/57/569767457.db2.gz DEOBSILEYPFLIR-XXBNENTESA-N 1 1 467.541 3.787 50 0 JHAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)COC ZINC000036346689 569770587 /nfs/dbraw/zinc/77/05/87/569770587.db2.gz UMSMTZOJEFNCHY-NRFANRHFSA-N 1 1 461.509 3.707 50 0 JHAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)COC ZINC000036346689 569770589 /nfs/dbraw/zinc/77/05/89/569770589.db2.gz UMSMTZOJEFNCHY-NRFANRHFSA-N 1 1 461.509 3.707 50 0 JHAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344419 569793867 /nfs/dbraw/zinc/79/38/67/569793867.db2.gz NZYCMCCCVXKSJG-SQVYLTPJSA-N 1 1 451.526 3.888 50 0 JHAAMO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[C@@H]3CCC[N@H+]3C)N2[C@@H]1c1cccc(OC)c1 ZINC000102763835 569822645 /nfs/dbraw/zinc/82/26/45/569822645.db2.gz GITPXSCZDNKMFI-YADARESESA-N 1 1 498.649 3.824 50 0 JHAAMO CCC1=C(C(=O)OC)[C@@H](c2ccccc2)N2C(CC(=O)NCC[C@H]3CCC[N@H+]3C)=CSC2=N1 ZINC000102940747 569829470 /nfs/dbraw/zinc/82/94/70/569829470.db2.gz LUAGUDCSDBTRAV-WZONZLPQSA-N 1 1 468.623 3.815 50 0 JHAAMO CC(C)[C@H](C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000107349682 569856352 /nfs/dbraw/zinc/85/63/52/569856352.db2.gz VPJIJBSIWRAXQR-LVCYWYKZSA-N 1 1 451.011 3.540 50 0 JHAAMO CC(C)[C@H](C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000107349682 569856353 /nfs/dbraw/zinc/85/63/53/569856353.db2.gz VPJIJBSIWRAXQR-LVCYWYKZSA-N 1 1 451.011 3.540 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COCC ZINC000169680379 569870411 /nfs/dbraw/zinc/87/04/11/569870411.db2.gz GKVVRBBSLNSRGE-DENIHFKCSA-N 1 1 464.603 3.501 50 0 JHAAMO C[C@@H]1Cc2cc(C(=O)Nc3nc(C[NH+]4C[C@H](C)C[C@@H](C)C4)cs3)ccc2N1S(C)(=O)=O ZINC000229646591 570040773 /nfs/dbraw/zinc/04/07/73/570040773.db2.gz REPVYWFLCNTWKW-BZUAXINKSA-N 1 1 462.641 3.584 50 0 JHAAMO Cc1ccnc(C)c1C(=O)N1CCC([N@@H+]2CCN(c3ccc(C(F)(F)F)cn3)C[C@H]2C)CC1 ZINC000244975231 570054379 /nfs/dbraw/zinc/05/43/79/570054379.db2.gz IHIYSKBNAJPIQI-QGZVFWFLSA-N 1 1 461.532 3.928 50 0 JHAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@H+]2CCCC[C@H]2C)[C@@H]1c1cccs1 ZINC000245228619 570055660 /nfs/dbraw/zinc/05/56/60/570055660.db2.gz ZRINCYBFTGQYEB-LEOXJPRUSA-N 1 1 455.624 3.666 50 0 JHAAMO Cc1cccc(C(=O)N2CCN([C@H](C(=O)NCCC[N@@H+]3CCCC[C@H]3C)C3CCCC3)CC2)c1 ZINC000245280881 570062128 /nfs/dbraw/zinc/06/21/28/570062128.db2.gz VGSLTLKICPXZFV-BVAGGSTKSA-N 1 1 468.686 3.692 50 0 JHAAMO COCC(=O)N(C[C@@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)C[C@H]1c1cccc(F)c1)C(C)C ZINC000245329645 570066326 /nfs/dbraw/zinc/06/63/26/570066326.db2.gz UQUTVXUXMKAFKL-OFVILXPXSA-N 1 1 458.574 3.942 50 0 JHAAMO O=C1[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1Cc1ccccc1 ZINC000247711421 570068993 /nfs/dbraw/zinc/06/89/93/570068993.db2.gz JXYUNDORNGMXEL-JPPUBGEISA-N 1 1 477.564 3.708 50 0 JHAAMO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)C(C)(C)C)c1 ZINC000248272787 570077269 /nfs/dbraw/zinc/07/72/69/570077269.db2.gz QVXXJVBSOVGTHV-BJESRGMDSA-N 1 1 460.530 3.834 50 0 JHAAMO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)C(C)(C)C)c1 ZINC000248272787 570077270 /nfs/dbraw/zinc/07/72/70/570077270.db2.gz QVXXJVBSOVGTHV-BJESRGMDSA-N 1 1 460.530 3.834 50 0 JHAAMO COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)c(C[N@H+]3CC[C@H](c4ccccc4)C3)n1C)CC2 ZINC000253413632 570098335 /nfs/dbraw/zinc/09/83/35/570098335.db2.gz VGOSIXVUZHATTJ-QFIPXVFZSA-N 1 1 489.616 3.656 50 0 biogenic JHAAMO O=C(CC[C@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@H]1N1CCOCC1)NCc1ccccn1 ZINC000299801142 570177490 /nfs/dbraw/zinc/17/74/90/570177490.db2.gz YRHGJDXUEPPLJL-LBNVMWSVSA-N 1 1 472.633 3.854 50 0 JHAAMO COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000009813201 194973676 /nfs/dbraw/zinc/97/36/76/194973676.db2.gz KAUWYPIOIREMQT-HSZRJFAPSA-N 1 1 495.601 3.607 50 0 JHAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000012677149 195082881 /nfs/dbraw/zinc/08/28/81/195082881.db2.gz PBVDURVVPOEZKA-QHCPKHFHSA-N 1 1 465.575 3.598 50 0 JHAAMO COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C(C)C)c1 ZINC000012781641 195124834 /nfs/dbraw/zinc/12/48/34/195124834.db2.gz LHZJCRYMFZAYGD-FGZHOGPDSA-N 1 1 461.990 3.531 50 0 JHAAMO CC(=O)N(c1nc(CN(C)CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cs1)c1ccccc1 ZINC000012810214 195143732 /nfs/dbraw/zinc/14/37/32/195143732.db2.gz GAKKYRCXUPRQAF-UHFFFAOYSA-N 1 1 491.661 3.912 50 0 JHAAMO C[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)[N@H+](C)CCOc1ccccc1F ZINC000012817243 195147472 /nfs/dbraw/zinc/14/74/72/195147472.db2.gz WMUUNUORDIHVGF-KRWDZBQOSA-N 1 1 498.020 3.992 50 0 JHAAMO C[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)[N@@H+](C)CCOc1ccccc1F ZINC000012817243 195147475 /nfs/dbraw/zinc/14/74/75/195147475.db2.gz WMUUNUORDIHVGF-KRWDZBQOSA-N 1 1 498.020 3.992 50 0 JHAAMO Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000012886949 195170670 /nfs/dbraw/zinc/17/06/70/195170670.db2.gz WTXNXSAGDSHKIS-LJQANCHMSA-N 1 1 487.442 3.533 50 0 JHAAMO COc1cccc(-c2nc(C(=O)NCCC[NH+]3CCOCC3)cc3c4ccccc4[nH]c32)c1OC ZINC000020610008 195183020 /nfs/dbraw/zinc/18/30/20/195183020.db2.gz QLHKCUPUSNNEPE-UHFFFAOYSA-N 1 1 474.561 3.852 50 0 biogenic JHAAMO COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCC[N@@H+](C)Cc4ccccc4)C3)n2)cc1 ZINC000020924054 195248901 /nfs/dbraw/zinc/24/89/01/195248901.db2.gz INBWAFOYGOKPMI-QFIPXVFZSA-N 1 1 463.582 3.600 50 0 JHAAMO COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCCC[N@@H+](C)Cc4ccccc4)C3)n2)cc1 ZINC000020924048 195248965 /nfs/dbraw/zinc/24/89/65/195248965.db2.gz INBWAFOYGOKPMI-JOCHJYFZSA-N 1 1 463.582 3.600 50 0 JHAAMO Cc1ccc(C)n1CC[NH+]1CCN(C(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC000020991853 195262186 /nfs/dbraw/zinc/26/21/86/195262186.db2.gz WVDSOFSXEMGQMZ-UHFFFAOYSA-N 1 1 478.666 3.684 50 0 JHAAMO c1cc(C[NH+]2CCN(c3ccccc3)CC2)n(-c2nnc(N3CCN(c4ccccc4)CC3)s2)c1 ZINC000021531645 195309660 /nfs/dbraw/zinc/30/96/60/195309660.db2.gz GDIFRECAAPJLMQ-UHFFFAOYSA-N 1 1 485.661 3.978 50 0 JHAAMO C[N@@H+](C[C@H]1CCCO1)C1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1 ZINC000021887450 195325166 /nfs/dbraw/zinc/32/51/66/195325166.db2.gz PZVUECWUFOOQPC-CQSZACIVSA-N 1 1 479.546 3.686 50 0 JHAAMO Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2C[C@@H]3CCC[N@H+]3[C@]23C(=O)Nc2ccccc23)CC1 ZINC000057991838 195361037 /nfs/dbraw/zinc/36/10/37/195361037.db2.gz QJWNJKHSANGATK-ZVOVDXHFSA-N 1 1 464.997 3.629 50 0 biogenic JHAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)CCCn2sc3ccccc3c2=O)CC1 ZINC000058133173 195365437 /nfs/dbraw/zinc/36/54/37/195365437.db2.gz GZWOLSCVEVLJBL-UHFFFAOYSA-N 1 1 473.042 3.743 50 0 JHAAMO O=C(C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1)Nc1ccc(I)cc1 ZINC000058174238 195371543 /nfs/dbraw/zinc/37/15/43/195371543.db2.gz JXRRIUVJRZTADX-AZUAARDMSA-N 1 1 450.320 3.818 50 0 JHAAMO O=C(C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1)Nc1ccc(I)cc1 ZINC000058174238 195371545 /nfs/dbraw/zinc/37/15/45/195371545.db2.gz JXRRIUVJRZTADX-AZUAARDMSA-N 1 1 450.320 3.818 50 0 JHAAMO CCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058215785 195373711 /nfs/dbraw/zinc/37/37/11/195373711.db2.gz LICQDIJPIGBMMT-AREMUKBSSA-N 1 1 450.627 3.838 50 0 JHAAMO CCC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000058215785 195373713 /nfs/dbraw/zinc/37/37/13/195373713.db2.gz LICQDIJPIGBMMT-AREMUKBSSA-N 1 1 450.627 3.838 50 0 JHAAMO CCC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000058215785 195373715 /nfs/dbraw/zinc/37/37/15/195373715.db2.gz LICQDIJPIGBMMT-AREMUKBSSA-N 1 1 450.627 3.838 50 0 JHAAMO CCCOc1ccc(N2C(=O)C[C@H](NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000096299569 130053221 /nfs/dbraw/zinc/05/32/21/130053221.db2.gz YRSDDZJPNXJACF-DEOSSOPVSA-N 1 1 485.028 3.563 50 0 JHAAMO COCCCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12 ZINC000096457228 130085982 /nfs/dbraw/zinc/08/59/82/130085982.db2.gz SOZJCASWIUHEIB-LADGPHEKSA-N 1 1 491.554 3.600 50 0 JHAAMO CC(C)OC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)C ZINC000036309753 519773752 /nfs/dbraw/zinc/77/37/52/519773752.db2.gz OTQOSJTWWMLCFU-OFNKIYASSA-N 1 1 478.630 3.888 50 0 JHAAMO CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C1CC1 ZINC000036308925 520092352 /nfs/dbraw/zinc/09/23/52/520092352.db2.gz URESGDSICBJLBE-UGKGYDQZSA-N 1 1 479.042 3.768 50 0 JHAAMO CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)NCC[N@@H+]3CCc4ccccc4C3)c2C1 ZINC000065000183 520278224 /nfs/dbraw/zinc/27/82/24/520278224.db2.gz PRAVQYRGXBAPED-UHFFFAOYSA-N 1 1 487.575 3.920 50 0 JHAAMO CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)NCC[N@H+]3CCc4ccccc4C3)c2C1 ZINC000065000183 520278234 /nfs/dbraw/zinc/27/82/34/520278234.db2.gz PRAVQYRGXBAPED-UHFFFAOYSA-N 1 1 487.575 3.920 50 0 JHAAMO CCCC[N@@H+](C)CCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008611022 520399519 /nfs/dbraw/zinc/39/95/19/520399519.db2.gz YHDCRAOEVHDAIN-UHFFFAOYSA-N 1 1 459.594 3.638 50 0 JHAAMO CCCC[N@H+](CCNC(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C)Cc1cccs1 ZINC000033048310 520508887 /nfs/dbraw/zinc/50/88/87/520508887.db2.gz PFQDKASACRZVAW-UHFFFAOYSA-N 1 1 486.711 3.845 50 0 JHAAMO CCCC[N@@H+](CCNC(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C)Cc1cccs1 ZINC000033048310 520508896 /nfs/dbraw/zinc/50/88/96/520508896.db2.gz PFQDKASACRZVAW-UHFFFAOYSA-N 1 1 486.711 3.845 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036309793 521537564 /nfs/dbraw/zinc/53/75/64/521537564.db2.gz IDJVGAWZGBXTDF-REWPJTCUSA-N 1 1 478.630 3.890 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@H](O)COC(C)C ZINC000036309329 521539281 /nfs/dbraw/zinc/53/92/81/521539281.db2.gz QLUWLHXIEHHEKB-UNMCSNQZSA-N 1 1 490.666 3.759 50 0 JHAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1cc(C)ccc1OC)CC[N@H+](Cc1ccccc1)C2 ZINC000035457094 521540041 /nfs/dbraw/zinc/54/00/41/521540041.db2.gz CZKNNZVFXPUCNU-UHFFFAOYSA-N 1 1 460.578 3.710 50 0 JHAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1cc(C)ccc1OC)CC[N@@H+](Cc1ccccc1)C2 ZINC000035457094 521540051 /nfs/dbraw/zinc/54/00/51/521540051.db2.gz CZKNNZVFXPUCNU-UHFFFAOYSA-N 1 1 460.578 3.710 50 0 JHAAMO COc1cc(-c2noc(CC[N@H+](Cc3ccccc3)C[C@H](O)COCC(C)C)n2)cc(OC)c1OC ZINC000036154787 521915094 /nfs/dbraw/zinc/91/50/94/521915094.db2.gz ROQSLYWCJMHOKK-QFIPXVFZSA-N 1 1 499.608 3.841 50 0 JHAAMO COCCn1c(C)cc(O)c([C@H](c2ccc(F)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697741 522064900 /nfs/dbraw/zinc/06/49/00/522064900.db2.gz QTRNVDGMRFCMLG-VWLOTQADSA-N 1 1 469.532 3.699 50 0 JHAAMO COC[C@@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036309854 522399190 /nfs/dbraw/zinc/39/91/90/522399190.db2.gz MAMCSUYSOXGHHV-REWPJTCUSA-N 1 1 478.630 3.747 50 0 JHAAMO COC(=O)c1sc2nc(C[N@@H+](C[C@@H](O)COCc3ccccc3)C3CCCCC3)[nH]c(=O)c2c1C ZINC000036206963 522434121 /nfs/dbraw/zinc/43/41/21/522434121.db2.gz WDSWDYKMARBAFP-HXUWFJFHSA-N 1 1 499.633 3.792 50 0 JHAAMO CCn1c(C)cc(O)c([C@@H](c2ccc(OC)c(OC)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697337 523138002 /nfs/dbraw/zinc/13/80/02/523138002.db2.gz LEHVKWHJPHITSX-AREMUKBSSA-N 1 1 481.568 3.950 50 0 JHAAMO CCn1c(C)cc(O)c([C@@H](c2ccc(OC)cc2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022696860 523138949 /nfs/dbraw/zinc/13/89/49/523138949.db2.gz HYRBYVWXHXCAKH-RUZDIDTESA-N 1 1 451.542 3.942 50 0 JHAAMO CCn1c(C)cc(O)c([C@H](c2ccccc2OC)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022696948 523140539 /nfs/dbraw/zinc/14/05/39/523140539.db2.gz WJPBBNLHTGUZDN-VWLOTQADSA-N 1 1 451.542 3.942 50 0 JHAAMO COc1ccc(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@H](O)COC(C)C)nc(=O)c23)cc1OC ZINC000036205886 523171998 /nfs/dbraw/zinc/17/19/98/523171998.db2.gz LGBCZZSDZYOVTP-SFHVURJKSA-N 1 1 489.638 3.913 50 0 JHAAMO COc1ccc(-c2csc3[nH]c(C[N@@H+](CC(C)C)C[C@H](O)COC(C)C)nc(=O)c23)cc1OC ZINC000036205886 523172004 /nfs/dbraw/zinc/17/20/04/523172004.db2.gz LGBCZZSDZYOVTP-SFHVURJKSA-N 1 1 489.638 3.913 50 0 JHAAMO COc1ccc(-c2csc3[nH]c(C[N@H+](C[C@H](O)COCC(C)C)C(C)C)nc(=O)c23)cc1 ZINC000036206293 523172932 /nfs/dbraw/zinc/17/29/32/523172932.db2.gz UODNMGHUTYWKOV-SFHVURJKSA-N 1 1 459.612 3.904 50 0 JHAAMO COc1ccc(-c2csc3[nH]c(C[N@@H+](C[C@H](O)COCC(C)C)C(C)C)nc(=O)c23)cc1 ZINC000036206293 523172937 /nfs/dbraw/zinc/17/29/37/523172937.db2.gz UODNMGHUTYWKOV-SFHVURJKSA-N 1 1 459.612 3.904 50 0 JHAAMO COCCC[N@@H+](Cc1nc(=O)c2c(-c3ccc(C)cc3)csc2[nH]1)C[C@@H](O)COCc1ccco1 ZINC000036207652 523269853 /nfs/dbraw/zinc/26/98/53/523269853.db2.gz NKMAJYLZGDLSEB-HXUWFJFHSA-N 1 1 497.617 3.969 50 0 JHAAMO COCCC[N@H+](Cc1nc(=O)c2c(-c3ccc(C)cc3)csc2[nH]1)C[C@@H](O)COCc1ccco1 ZINC000036207652 523269861 /nfs/dbraw/zinc/26/98/61/523269861.db2.gz NKMAJYLZGDLSEB-HXUWFJFHSA-N 1 1 497.617 3.969 50 0 JHAAMO CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@@H]([NH2+]CC1(c3ccccc3)CCCC1)C2 ZINC000014743354 523611143 /nfs/dbraw/zinc/61/11/43/523611143.db2.gz TUNCBZPBDMDBFH-HSZRJFAPSA-N 1 1 463.670 3.640 50 0 JHAAMO CCc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCCC[NH+]4CCOCC4)c3)C2)cc1 ZINC000033034843 523883858 /nfs/dbraw/zinc/88/38/58/523883858.db2.gz WFRZWHMKNWEWHB-AREMUKBSSA-N 1 1 463.622 3.721 50 0 JHAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c(C)c1C ZINC000014881765 524039447 /nfs/dbraw/zinc/03/94/47/524039447.db2.gz URIUKDCLGFGAQS-HSZRJFAPSA-N 1 1 451.571 3.682 50 0 JHAAMO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)N3CCCC3)C2)cc1OC ZINC000014747740 524041941 /nfs/dbraw/zinc/04/19/41/524041941.db2.gz OQNNRTPXLDXQSI-RPWUZVMVSA-N 1 1 491.632 3.892 50 0 JHAAMO COc1ccc(N2C[C@H](NC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)CC2=O)cc1 ZINC000016047639 524448799 /nfs/dbraw/zinc/44/87/99/524448799.db2.gz ZWTAOZKPDIHBPJ-XMMPIXPASA-N 1 1 484.600 3.917 50 0 JHAAMO Cc1ccc(CNc2cc(C(=O)NC[C@@H]3CCC[N@H+](C)C3)cc(S(=O)(=O)NC(C)(C)C)c2)s1 ZINC000014752955 524611390 /nfs/dbraw/zinc/61/13/90/524611390.db2.gz FXJXHDDKYOYZMH-SFHVURJKSA-N 1 1 492.711 3.817 50 0 JHAAMO C[C@@H]1CN(C(=O)CCC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)c2cc(Cl)ccc2O1 ZINC000020466035 524765594 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CCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NC[C@H]3CCC[N@H+]3CC)c2c1 ZINC000008814297 554696535 /nfs/dbraw/zinc/69/65/35/554696535.db2.gz RVZSHPIVXNSYSK-HXUWFJFHSA-N 1 1 495.649 3.589 50 0 JHAAMO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000008983408 554847717 /nfs/dbraw/zinc/84/77/17/554847717.db2.gz BNAKFQUDEQETRU-HNNXBMFYSA-N 1 1 457.518 3.851 50 0 JHAAMO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000008983408 554847718 /nfs/dbraw/zinc/84/77/18/554847718.db2.gz BNAKFQUDEQETRU-HNNXBMFYSA-N 1 1 457.518 3.851 50 0 JHAAMO CCC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2ccccc2)cn3CC)CC1 ZINC000009118974 554909324 /nfs/dbraw/zinc/90/93/24/554909324.db2.gz OMDDXLDLEDMDJG-UHFFFAOYSA-N 1 1 457.571 3.525 50 0 JHAAMO CCCN1CCN(c2nnc(-n3cccc3C[NH2+]CCc3ccc(OCC)cc3)s2)CC1 ZINC000009265791 555042001 /nfs/dbraw/zinc/04/20/01/555042001.db2.gz XMIAGISNJXEPJD-UHFFFAOYSA-N 1 1 454.644 3.592 50 0 JHAAMO C=C1C(NCCC[N@@H+]2CCc3ccccc3C2)=NS(=O)(=O)C1c1cccc(Br)c1 ZINC000009286646 555060471 /nfs/dbraw/zinc/06/04/71/555060471.db2.gz RQKWSRMKVYFZOZ-UHFFFAOYSA-N 1 1 474.424 3.960 50 0 JHAAMO C=C1C(NCCC[N@H+]2CCc3ccccc3C2)=NS(=O)(=O)C1c1cccc(Br)c1 ZINC000009286646 555060472 /nfs/dbraw/zinc/06/04/72/555060472.db2.gz RQKWSRMKVYFZOZ-UHFFFAOYSA-N 1 1 474.424 3.960 50 0 JHAAMO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1)Cc1ccccc1 ZINC000009431588 555200635 /nfs/dbraw/zinc/20/06/35/555200635.db2.gz DRHQBNPHHODYTK-HSZRJFAPSA-N 1 1 477.609 3.990 50 0 JHAAMO C[N@H+]1CCC[C@@H](OC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)C1 ZINC000009705108 555429874 /nfs/dbraw/zinc/42/98/74/555429874.db2.gz XOOGWVFGGWEVJT-QGZVFWFLSA-N 1 1 453.358 3.501 50 0 JHAAMO Cn1c(SCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nnc1-c1ccncc1 ZINC000019831749 555505388 /nfs/dbraw/zinc/50/53/88/555505388.db2.gz YFISHLOXGAQCGD-UHFFFAOYSA-N 1 1 484.629 3.903 50 0 JHAAMO Cc1ccc(CN(c2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)S(C)(=O)=O)cc1 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COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1 ZINC000015726165 555963381 /nfs/dbraw/zinc/96/33/81/555963381.db2.gz XERLAZKEBVGKJP-KRWDZBQOSA-N 1 1 452.511 3.613 50 0 JHAAMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1 ZINC000015726165 555963384 /nfs/dbraw/zinc/96/33/84/555963384.db2.gz XERLAZKEBVGKJP-KRWDZBQOSA-N 1 1 452.511 3.613 50 0 JHAAMO CCOc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726113 555963420 /nfs/dbraw/zinc/96/34/20/555963420.db2.gz ALCHKEKCMREZEV-HXUWFJFHSA-N 1 1 480.565 3.681 50 0 JHAAMO CCOc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726113 555963424 /nfs/dbraw/zinc/96/34/24/555963424.db2.gz ALCHKEKCMREZEV-HXUWFJFHSA-N 1 1 480.565 3.681 50 0 JHAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)NCc4cccc(Cl)c4)C3)n2)cc1OC ZINC000015726160 555963623 /nfs/dbraw/zinc/96/36/23/555963623.db2.gz OHPGWTAWUXTLLP-GOSISDBHSA-N 1 1 470.957 3.936 50 0 JHAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)NCc4cccc(Cl)c4)C3)n2)cc1OC ZINC000015726160 555963625 /nfs/dbraw/zinc/96/36/25/555963625.db2.gz OHPGWTAWUXTLLP-GOSISDBHSA-N 1 1 470.957 3.936 50 0 JHAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)NCc4ccc(Cl)cc4)C3)n2)cc1OC ZINC000015726181 555964032 /nfs/dbraw/zinc/96/40/32/555964032.db2.gz UEJCAUBUMGMJSS-SFHVURJKSA-N 1 1 470.957 3.936 50 0 JHAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)NCc4ccc(Cl)cc4)C3)n2)cc1OC ZINC000015726181 555964034 /nfs/dbraw/zinc/96/40/34/555964034.db2.gz UEJCAUBUMGMJSS-SFHVURJKSA-N 1 1 470.957 3.936 50 0 JHAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N[C@@H](C)c4ccccc4)CC3)n2)cc1OC ZINC000015726456 555965212 /nfs/dbraw/zinc/96/52/12/555965212.db2.gz DSFKAEQTCQUHRV-KRWDZBQOSA-N 1 1 450.539 3.843 50 0 JHAAMO COc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000022908302 555965619 /nfs/dbraw/zinc/96/56/19/555965619.db2.gz INXAZEFEZRVJAA-HXUWFJFHSA-N 1 1 465.575 3.620 50 0 JHAAMO COc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1OC ZINC000022908302 555965622 /nfs/dbraw/zinc/96/56/22/555965622.db2.gz INXAZEFEZRVJAA-HXUWFJFHSA-N 1 1 465.575 3.620 50 0 JHAAMO CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000022925648 555977877 /nfs/dbraw/zinc/97/78/77/555977877.db2.gz QZRFGCGRMBAVSS-UHFFFAOYSA-N 1 1 453.612 3.663 50 0 JHAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000022937722 555990595 /nfs/dbraw/zinc/99/05/95/555990595.db2.gz ZDPITTFEJQJFCA-MUUNZHRXSA-N 1 1 482.628 3.582 50 0 JHAAMO C[NH+](C)[C@H](CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1Cl ZINC000015787824 556006829 /nfs/dbraw/zinc/00/68/29/556006829.db2.gz BEPUBYGHSNVVNF-JOCHJYFZSA-N 1 1 459.999 3.581 50 0 JHAAMO CCN(CC)C(=O)COc1ccc(-c2cccs2)cc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000023130063 556018969 /nfs/dbraw/zinc/01/89/69/556018969.db2.gz IDUQBBRZRRUDGB-UHFFFAOYSA-N 1 1 465.623 3.775 50 0 JHAAMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2C1 ZINC000015880204 556052128 /nfs/dbraw/zinc/05/21/28/556052128.db2.gz GOLPETWVAOOLNU-UHFFFAOYSA-N 1 1 496.658 3.909 50 0 JHAAMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2C1 ZINC000015880204 556052132 /nfs/dbraw/zinc/05/21/32/556052132.db2.gz GOLPETWVAOOLNU-UHFFFAOYSA-N 1 1 496.658 3.909 50 0 JHAAMO Cc1ccccc1N1C(=O)c2ccc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)cc2C1=O ZINC000023425792 556053528 /nfs/dbraw/zinc/05/35/28/556053528.db2.gz RQADABZYGREICT-UHFFFAOYSA-N 1 1 461.562 3.561 50 0 JHAAMO COc1ccccc1C[NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000012563150 556057997 /nfs/dbraw/zinc/05/79/97/556057997.db2.gz XHQKQZPAVNQFNU-UHFFFAOYSA-N 1 1 466.003 3.642 50 0 JHAAMO COc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)cc1S(=O)(=O)NC1CCCC1 ZINC000012569558 556072413 /nfs/dbraw/zinc/07/24/13/556072413.db2.gz WLNCQOMVAZBOMU-FYYLOGMGSA-N 1 1 483.634 3.673 50 0 JHAAMO Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001928 556107346 /nfs/dbraw/zinc/10/73/46/556107346.db2.gz UWFRZUWQZYUDEX-FXKZBUDASA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)n2)cc1 ZINC000024023251 556117068 /nfs/dbraw/zinc/11/70/68/556117068.db2.gz QJCBCDLPQIYFDQ-UHFFFAOYSA-N 1 1 451.596 3.965 50 0 JHAAMO CC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)N(CCc1ccccc1)Cc1cccs1 ZINC000024978840 556167455 /nfs/dbraw/zinc/16/74/55/556167455.db2.gz HPFBWSHMNKYVKY-UHFFFAOYSA-N 1 1 492.645 3.769 50 0 JHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4cc(C)c(OC)cc4C)CC3)n2)cc1 ZINC000017010346 556200135 /nfs/dbraw/zinc/20/01/35/556200135.db2.gz COSXXEVOHWIODX-UHFFFAOYSA-N 1 1 497.621 3.674 50 0 JHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000017012726 556202760 /nfs/dbraw/zinc/20/27/60/556202760.db2.gz DEXVSCBTTBFMED-UHFFFAOYSA-N 1 1 473.986 3.702 50 0 JHAAMO CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC000025862150 556237544 /nfs/dbraw/zinc/23/75/44/556237544.db2.gz HNYQQIVFOLJSQV-HNNXBMFYSA-N 1 1 482.002 3.558 50 0 JHAAMO CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC000025862150 556237547 /nfs/dbraw/zinc/23/75/47/556237547.db2.gz HNYQQIVFOLJSQV-HNNXBMFYSA-N 1 1 482.002 3.558 50 0 JHAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)C1 ZINC000027146740 556274783 /nfs/dbraw/zinc/27/47/83/556274783.db2.gz JJNUAKCOHHUXKY-AHRSHGDUSA-N 1 1 453.627 3.928 50 0 JHAAMO CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018217147 556311939 /nfs/dbraw/zinc/31/19/39/556311939.db2.gz CYMCKQYQAXSQGN-RUZDIDTESA-N 1 1 497.705 3.984 50 0 JHAAMO COc1ccccc1[C@H]1CCC[N@H+]1C1CCN(c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000019217889 556334661 /nfs/dbraw/zinc/33/46/61/556334661.db2.gz GXWLXNFSEKPBKR-HHHXNRCGSA-N 1 1 492.664 3.563 50 0 JHAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)Nc1cccc(Cl)c1 ZINC000028897296 556343738 /nfs/dbraw/zinc/34/37/38/556343738.db2.gz MAYAACRVSHGJGU-UHFFFAOYSA-N 1 1 468.907 3.944 50 0 JHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1OCc1cn2ccccc2n1 ZINC000029933812 556360343 /nfs/dbraw/zinc/36/03/43/556360343.db2.gz NTQVXTHIAHQHHH-UHFFFAOYSA-N 1 1 456.546 3.676 50 0 JHAAMO O=C(c1cnc2sccn2c1=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030181093 556364253 /nfs/dbraw/zinc/36/42/53/556364253.db2.gz CYGRITPEZIGQBK-UHFFFAOYSA-N 1 1 454.552 3.582 50 0 JHAAMO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000019800285 556377270 /nfs/dbraw/zinc/37/72/70/556377270.db2.gz ZMSCXKUPLKJHJM-UHFFFAOYSA-N 1 1 490.608 3.500 50 0 JHAAMO COc1cc(OC)c(C2=CC[N@@H+](CCC(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c(OC)c1 ZINC000032870937 556518222 /nfs/dbraw/zinc/51/82/22/556518222.db2.gz SLQAWIDAQOYADN-UHFFFAOYSA-N 1 1 481.593 3.667 50 0 JHAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3nc4ccccc4nc3N3CCOCC3)cc2Cl)CC1 ZINC000032958425 556572506 /nfs/dbraw/zinc/57/25/06/556572506.db2.gz OSYJSXDQIKFJPJ-UHFFFAOYSA-N 1 1 481.000 3.514 50 0 JHAAMO O=C(CCN1Cc2ccccc2O[C@H](c2ccccc2F)C1)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000012019959 562958464 /nfs/dbraw/zinc/95/84/64/562958464.db2.gz WKNYXGJOIYXDGC-HOFKKMOUSA-N 1 1 481.612 3.599 50 0 JHAAMO O=C(CCN1Cc2ccccc2O[C@H](c2ccccc2F)C1)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000012019959 562958465 /nfs/dbraw/zinc/95/84/65/562958465.db2.gz WKNYXGJOIYXDGC-HOFKKMOUSA-N 1 1 481.612 3.599 50 0 JHAAMO Cc1cccc(N2CC[NH+](CCNC(=O)CC3CCN(C(=O)C4CCCCC4)CC3)CC2)c1C ZINC000032974410 569605515 /nfs/dbraw/zinc/60/55/15/569605515.db2.gz UAOLAFMFBPXUEA-UHFFFAOYSA-N 1 1 468.686 3.751 50 0 JHAAMO COc1ccc(C(=O)N[C@H](c2nnc3n2CC[N@@H+](C/C(C)=C/c2ccco2)CC3)C(C)C)cc1 ZINC000064053750 569616117 /nfs/dbraw/zinc/61/61/17/569616117.db2.gz JLMGAJOSUUMFDV-LULQDDRCSA-N 1 1 463.582 3.968 50 0 JHAAMO COc1ccc(C(=O)N[C@H](c2nnc3n2CC[N@H+](C/C(C)=C/c2ccco2)CC3)C(C)C)cc1 ZINC000064053750 569616118 /nfs/dbraw/zinc/61/61/18/569616118.db2.gz JLMGAJOSUUMFDV-LULQDDRCSA-N 1 1 463.582 3.968 50 0 JHAAMO COc1cc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)c(C)cc1C ZINC000064802163 569631959 /nfs/dbraw/zinc/63/19/59/569631959.db2.gz HPSIYSIHWXKVEU-UHFFFAOYSA-N 1 1 483.594 3.791 50 0 JHAAMO COCC(=O)N(C[C@@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)C[C@@H]1c1cccc(F)c1)C(C)C ZINC000034740833 569655569 /nfs/dbraw/zinc/65/55/69/569655569.db2.gz UQUTVXUXMKAFKL-SQJMNOBHSA-N 1 1 458.574 3.942 50 0 JHAAMO COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1CN(C(=O)Nc1ccc(C)cc1)CC2 ZINC000034757365 569656732 /nfs/dbraw/zinc/65/67/32/569656732.db2.gz QNCARTMDOKSVTM-UHFFFAOYSA-N 1 1 488.592 3.928 50 0 JHAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)Cc2cccs2)CC1 ZINC000034787716 569659797 /nfs/dbraw/zinc/65/97/97/569659797.db2.gz BVJHDSMKSHNQGS-SANMLTNESA-N 1 1 479.671 3.979 50 0 JHAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)Cc2cccs2)CC1 ZINC000034787716 569659798 /nfs/dbraw/zinc/65/97/98/569659798.db2.gz BVJHDSMKSHNQGS-SANMLTNESA-N 1 1 479.671 3.979 50 0 JHAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1OC ZINC000067287436 569684481 /nfs/dbraw/zinc/68/44/81/569684481.db2.gz RNMBDLZEMRJVDN-RUZDIDTESA-N 1 1 463.578 3.821 50 0 JHAAMO COc1cccc(N2CCN(C(=O)C[N@H+]3CC=C(c4cnn(-c5ccc(C)cc5)c4)CC3)CC2)c1 ZINC000035403899 569691419 /nfs/dbraw/zinc/69/14/19/569691419.db2.gz RSPNUQLXHALIGZ-UHFFFAOYSA-N 1 1 471.605 3.627 50 0 JHAAMO COc1cccc(N2CCN(C(=O)C[N@@H+]3CC=C(c4cnn(-c5ccc(C)cc5)c4)CC3)CC2)c1 ZINC000035403899 569691421 /nfs/dbraw/zinc/69/14/21/569691421.db2.gz RSPNUQLXHALIGZ-UHFFFAOYSA-N 1 1 471.605 3.627 50 0 JHAAMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)CC2)cc1 ZINC000070036486 569695036 /nfs/dbraw/zinc/69/50/36/569695036.db2.gz MRNHQKSZWLHNOH-QFIPXVFZSA-N 1 1 470.013 3.935 50 0 JHAAMO O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000071901093 569699168 /nfs/dbraw/zinc/69/91/68/569699168.db2.gz FYRCBURZYZVMME-UHFFFAOYSA-N 1 1 462.516 3.934 50 0 JHAAMO O=C(CC1CCN(C(=O)Nc2ccccc2)CC1)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000035528939 569699934 /nfs/dbraw/zinc/69/99/34/569699934.db2.gz KIJOYOXPSSRQKY-UHFFFAOYSA-N 1 1 481.616 3.788 50 0 JHAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccn2)N2CC[NH+](CCO)CC2)c1C ZINC000084718202 569709573 /nfs/dbraw/zinc/70/95/73/569709573.db2.gz VKNHWITZIRFHJP-QHCPKHFHSA-N 1 1 450.608 3.712 50 0 JHAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NC2CCCCC2)cc(OC)c1OC ZINC000035883339 569720072 /nfs/dbraw/zinc/72/00/72/569720072.db2.gz UCELZEBVLHNMIP-PSUQPPDWSA-N 1 1 460.615 3.829 50 0 biogenic JHAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NC2CCCCC2)cc(OC)c1OC ZINC000035883339 569720073 /nfs/dbraw/zinc/72/00/73/569720073.db2.gz UCELZEBVLHNMIP-PSUQPPDWSA-N 1 1 460.615 3.829 50 0 biogenic JHAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000095100967 569721716 /nfs/dbraw/zinc/72/17/16/569721716.db2.gz HOHJVODZFIUPPZ-DEOSSOPVSA-N 1 1 451.542 3.952 50 0 JHAAMO CCOC(=O)C1C(C[NH+]2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000095100967 569721717 /nfs/dbraw/zinc/72/17/17/569721717.db2.gz HOHJVODZFIUPPZ-DEOSSOPVSA-N 1 1 451.542 3.952 50 0 JHAAMO Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)N3CC[NH+](C)CC3)Cc3ccco3)no2)c(C)c1 ZINC000095549665 569727470 /nfs/dbraw/zinc/72/74/70/569727470.db2.gz BIWVQDPGTBDVMN-UHFFFAOYSA-N 1 1 464.566 3.666 50 0 JHAAMO COc1cc2c(cc1OC)C[N@@H+](CCC(=O)Nc1ccc3c(c1)nc(CN1CCCCC1)n3C)CC2 ZINC000096223544 569739776 /nfs/dbraw/zinc/73/97/76/569739776.db2.gz GKJOJUTUYLIMPV-UHFFFAOYSA-N 1 1 491.636 3.963 50 0 JHAAMO Cc1c(C(=O)OC(C)C)sc2nc(C[N@H+](C[C@@H](O)COCc3ccccc3)C(C)C)[nH]c(=O)c12 ZINC000036206839 569756957 /nfs/dbraw/zinc/75/69/57/569756957.db2.gz ONJCZXCVUKKDND-LJQANCHMSA-N 1 1 487.622 3.646 50 0 JHAAMO Cc1c(C(=O)OC(C)C)sc2nc(C[N@@H+](C[C@@H](O)COCc3ccccc3)C(C)C)[nH]c(=O)c12 ZINC000036206839 569756958 /nfs/dbraw/zinc/75/69/58/569756958.db2.gz ONJCZXCVUKKDND-LJQANCHMSA-N 1 1 487.622 3.646 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036256907 569758785 /nfs/dbraw/zinc/75/87/85/569758785.db2.gz BKIXRZUYWAJKFU-SQJMNOBHSA-N 1 1 472.649 3.523 50 0 JHAAMO Cc1cccc(C(=O)N2CCN([C@H](C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)C3CCCC3)CC2)c1 ZINC000036257027 569758804 /nfs/dbraw/zinc/75/88/04/569758804.db2.gz VGSLTLKICPXZFV-OZXSUGGESA-N 1 1 468.686 3.692 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2cccn2C)C1 ZINC000036341935 569764837 /nfs/dbraw/zinc/76/48/37/569764837.db2.gz GDMVVNFTBZQECJ-JTSKRJEESA-N 1 1 456.974 3.631 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2cccn2C)C1 ZINC000036341935 569764838 /nfs/dbraw/zinc/76/48/38/569764838.db2.gz GDMVVNFTBZQECJ-JTSKRJEESA-N 1 1 456.974 3.631 50 0 JHAAMO CCOc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000036342571 569765965 /nfs/dbraw/zinc/76/59/65/569765965.db2.gz OQJGUYYUMFLWCH-RUZDIDTESA-N 1 1 463.578 3.910 50 0 JHAAMO COc1cccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@@H](c3cc(C)ccc3C)C2)c1 ZINC000036342683 569766117 /nfs/dbraw/zinc/76/61/17/569766117.db2.gz RWFCFWZCCUHXSX-RUZDIDTESA-N 1 1 463.578 3.829 50 0 JHAAMO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@H](c3ccccc3F)C2)c1 ZINC000036343040 569766220 /nfs/dbraw/zinc/76/62/20/569766220.db2.gz IEDBXHRZYUQDFK-DEOSSOPVSA-N 1 1 451.542 3.959 50 0 JHAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)CN1CCOCC1)C1CC1 ZINC000036345901 569768393 /nfs/dbraw/zinc/76/83/93/569768393.db2.gz NTLJCHXWMDBBKM-RUZDIDTESA-N 1 1 476.621 3.939 50 0 JHAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)CN1CCOCC1)C1CC1 ZINC000036345901 569768394 /nfs/dbraw/zinc/76/83/94/569768394.db2.gz NTLJCHXWMDBBKM-RUZDIDTESA-N 1 1 476.621 3.939 50 0 JHAAMO Cn1nc2nc(N3CC[NH+](Cc4ccc(F)cc4)CC3)nc(-c3ccc(Cl)cc3)c2c1N ZINC000037358605 569783797 /nfs/dbraw/zinc/78/37/97/569783797.db2.gz JIWDVAZDEQYOQW-UHFFFAOYSA-N 1 1 451.937 3.727 50 0 JHAAMO CC(C)CNC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccco2)nc2ccccc21 ZINC000037384153 569785508 /nfs/dbraw/zinc/78/55/08/569785508.db2.gz CMPUHQCUSVTBCA-UHFFFAOYSA-N 1 1 465.598 3.581 50 0 JHAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(C)c(Cl)cc3OC)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000101409156 569797051 /nfs/dbraw/zinc/79/70/51/569797051.db2.gz CTJUCMWBVGATGH-AHQSTGFLSA-N 1 1 479.964 3.503 50 0 JHAAMO O=c1occ(C[NH+]2CCN(c3ccc(F)cc3)CC2)c([O-])c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000101412441 569797306 /nfs/dbraw/zinc/79/73/06/569797306.db2.gz NVNUSXZBLFZYDO-OAQYLSRUSA-N 1 1 463.553 3.796 50 0 JHAAMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(NC[C@@H]3CC=CCC3)cc(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000039344535 569809354 /nfs/dbraw/zinc/80/93/54/569809354.db2.gz FKMZUGRADZPTIS-UXHICEINSA-N 1 1 476.687 3.603 50 0 JHAAMO CCC1=C(C(=O)OC)[C@H](c2cccc(OC)c2)N2C(CC(=O)NCC[C@H]3CCC[N@H+]3C)=CSC2=N1 ZINC000102763892 569822683 /nfs/dbraw/zinc/82/26/83/569822683.db2.gz VITMDNMPTJWPJD-KOSHJBKYSA-N 1 1 498.649 3.824 50 0 JHAAMO 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CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2cccc(OC)c2)C1 ZINC000105011060 569850910 /nfs/dbraw/zinc/85/09/10/569850910.db2.gz VHZDEIWLNUOFRQ-RCZVLFRGSA-N 1 1 463.578 3.956 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2cccc(OC)c2)C1 ZINC000105011060 569850911 /nfs/dbraw/zinc/85/09/11/569850911.db2.gz VHZDEIWLNUOFRQ-RCZVLFRGSA-N 1 1 463.578 3.956 50 0 JHAAMO O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000107345276 569856408 /nfs/dbraw/zinc/85/64/08/569856408.db2.gz OOUGEVGPMSIISH-UKILVPOCSA-N 1 1 451.586 3.778 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000169680331 569870299 /nfs/dbraw/zinc/87/02/99/569870299.db2.gz QLUWLHXIEHHEKB-IFMALSPDSA-N 1 1 490.666 3.759 50 0 JHAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000245247918 570059435 /nfs/dbraw/zinc/05/94/35/570059435.db2.gz YWNYZYIBJDIZLN-FZVPRWPTSA-N 1 1 451.526 3.888 50 0 JHAAMO CCC[C@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000245327907 570065482 /nfs/dbraw/zinc/06/54/82/570065482.db2.gz LEQMHXGNBDVRDC-NZQKXSOJSA-N 1 1 478.630 3.892 50 0 JHAAMO CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C1CC1 ZINC000245329648 570066378 /nfs/dbraw/zinc/06/63/78/570066378.db2.gz URESGDSICBJLBE-DENIHFKCSA-N 1 1 479.042 3.768 50 0 JHAAMO COC(=O)CC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N1CCc2cc(OC)c(OC)cc2C1 ZINC000247967190 570071822 /nfs/dbraw/zinc/07/18/22/570071822.db2.gz STCFINHHCXKXIR-ISKFKSNPSA-N 1 1 452.595 3.906 50 0 JHAAMO COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000247967190 570071824 /nfs/dbraw/zinc/07/18/24/570071824.db2.gz STCFINHHCXKXIR-ISKFKSNPSA-N 1 1 452.595 3.906 50 0 JHAAMO COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000247967190 570071825 /nfs/dbraw/zinc/07/18/25/570071825.db2.gz STCFINHHCXKXIR-ISKFKSNPSA-N 1 1 452.595 3.906 50 0 JHAAMO 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3.672 50 0 JHAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)Nc2ccc(F)cc2F)CC1 ZINC000009285692 194661900 /nfs/dbraw/zinc/66/19/00/194661900.db2.gz JJZJKBMPYMQQSE-UHFFFAOYSA-N 1 1 493.580 3.535 50 0 JHAAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009647881 194853831 /nfs/dbraw/zinc/85/38/31/194853831.db2.gz RCVWEKKRPKIUMH-LJQANCHMSA-N 1 1 456.612 3.901 50 0 JHAAMO COc1ccc(-c2c[nH]nc2-c2ccc(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc2O)cc1OC ZINC000020623227 195190589 /nfs/dbraw/zinc/19/05/89/195190589.db2.gz DLTWUGFCADKKFT-IAGOWNOFSA-N 1 1 453.539 3.955 50 0 JHAAMO CCn1c2ccccc2c2cc(C[N@@H+]3CCc4nnc([C@@H](C)NC(=O)CCOC)n4CC3)ccc21 ZINC000020776978 195224002 /nfs/dbraw/zinc/22/40/02/195224002.db2.gz WSNFWFLPPMJHOB-LJQANCHMSA-N 1 1 474.609 3.678 50 0 JHAAMO COC(=O)c1c(OC[C@@H]2CCCCO2)cc(=O)n2c1CC[N@@H+](Cc1ccccc1-c1ccco1)CC2 ZINC000020907340 195245572 /nfs/dbraw/zinc/24/55/72/195245572.db2.gz ROSDMVNBQYUMHR-NRFANRHFSA-N 1 1 492.572 3.901 50 0 JHAAMO COc1ccccc1[C@@H](CNC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)[NH+](C)C ZINC000021333683 195294793 /nfs/dbraw/zinc/29/47/93/195294793.db2.gz ZMPWEXARECRAKV-CQLKWFSRSA-N 1 1 485.650 3.692 50 0 JHAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)CC1 ZINC000021916067 195332310 /nfs/dbraw/zinc/33/23/10/195332310.db2.gz XVFJURMSZXOWRZ-UHFFFAOYSA-N 1 1 463.626 3.819 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3ccccc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000057998835 195361492 /nfs/dbraw/zinc/36/14/92/195361492.db2.gz MYHNKFHXIXLYMO-UHFFFAOYSA-N 1 1 467.614 3.765 50 0 JHAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000058085852 195364422 /nfs/dbraw/zinc/36/44/22/195364422.db2.gz JJAXLEWDBLIFSO-SFTDATJTSA-N 1 1 464.031 3.760 50 0 JHAAMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000058210565 195373851 /nfs/dbraw/zinc/37/38/51/195373851.db2.gz BKLDPSVDGVGSHG-OAHLLOKOSA-N 1 1 462.443 3.819 50 0 JHAAMO 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Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)c1c(ncn(CCC[NH+]3CCOCC3)c1=N)O2 ZINC000013777148 555617096 /nfs/dbraw/zinc/61/70/96/555617096.db2.gz OFNCJQCXRCEADP-XMMPIXPASA-N 1 1 482.588 3.865 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Oc2ccccc21 ZINC000020180741 555687016 /nfs/dbraw/zinc/68/70/16/555687016.db2.gz JJGXKOVORLVPNN-JJWXFRNXSA-N 1 1 451.542 3.973 50 0 JHAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000014233189 555738228 /nfs/dbraw/zinc/73/82/28/555738228.db2.gz HUTBNRTYEDZIDG-QGZVFWFLSA-N 1 1 472.394 3.594 50 0 JHAAMO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020284037 555753405 /nfs/dbraw/zinc/75/34/05/555753405.db2.gz CGQJXNSKAZSNKG-YADARESESA-N 1 1 479.577 3.673 50 0 JHAAMO CCOC(=O)C1=C(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020284037 555753410 /nfs/dbraw/zinc/75/34/10/555753410.db2.gz CGQJXNSKAZSNKG-YADARESESA-N 1 1 479.577 3.673 50 0 JHAAMO CCCn1c2ccccc2c2cnn(CC(=O)Nc3ccc(C[NH+]4CCN(CC)CC4)cc3)c(=O)c21 ZINC000020557154 555809303 /nfs/dbraw/zinc/80/93/03/555809303.db2.gz ICCAQYVBNMCJPA-UHFFFAOYSA-N 1 1 486.620 3.537 50 0 JHAAMO CCn1c(-c2cccnc2)nc2cc(NC(=O)COC)cc(C(=O)N(C)C[C@H]3CCC[N@@H+](CC)C3)c21 ZINC000011784738 555816467 /nfs/dbraw/zinc/81/64/67/555816467.db2.gz WAUFQMLIQYEKHK-LJQANCHMSA-N 1 1 492.624 3.507 50 0 JHAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)n2)C1 ZINC000014528791 555816465 /nfs/dbraw/zinc/81/64/65/555816465.db2.gz OLHRUCMWXUQEEU-CALCHBBNSA-N 1 1 494.658 3.800 50 0 JHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)n2)C1 ZINC000014528791 555816470 /nfs/dbraw/zinc/81/64/70/555816470.db2.gz OLHRUCMWXUQEEU-CALCHBBNSA-N 1 1 494.658 3.800 50 0 JHAAMO COc1cccc(Cn2nc(C(=O)N3CCC[C@H](O)C3)c3c2CC[N@@H+](CCCc2ccccc2)C3)c1 ZINC000014535841 555824977 /nfs/dbraw/zinc/82/49/77/555824977.db2.gz LPQKFZRFDZGOIE-DEOSSOPVSA-N 1 1 488.632 3.528 50 0 JHAAMO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccc(F)c(OC)c3)CC2)c(Cl)c1 ZINC000011816604 555831228 /nfs/dbraw/zinc/83/12/28/555831228.db2.gz SGXAZRFWTIZMRO-UHFFFAOYSA-N 1 1 450.938 3.907 50 0 JHAAMO COC(=O)CC[C@H]1C[N@H+](Cc2ccccc2F)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000015069890 555869529 /nfs/dbraw/zinc/86/95/29/555869529.db2.gz DPLPCCYAJDUSKX-XUZZJYLKSA-N 1 1 457.565 3.931 50 0 JHAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2F)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000015069890 555869530 /nfs/dbraw/zinc/86/95/30/555869530.db2.gz DPLPCCYAJDUSKX-XUZZJYLKSA-N 1 1 457.565 3.931 50 0 JHAAMO O=C(Nc1ccccc1)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)CC1 ZINC000015470179 555910105 /nfs/dbraw/zinc/91/01/05/555910105.db2.gz OWAJWXGMESTMHF-IBGZPJMESA-N 1 1 461.440 3.568 50 0 JHAAMO COc1ccc(C(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)cc1S(=O)(=O)NC(C)C ZINC000022296162 555918269 /nfs/dbraw/zinc/91/82/69/555918269.db2.gz BVIQHDBPDKPUTQ-HOTGVXAUSA-N 1 1 480.656 3.569 50 0 JHAAMO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc3ncccc3c1)CC2 ZINC000012149061 555921027 /nfs/dbraw/zinc/92/10/27/555921027.db2.gz WSEHDGGDAIRQAN-FQEVSTJZSA-N 1 1 454.578 3.695 50 0 JHAAMO COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cc(Nc3ccc(C)cc3)[nH+]c(C)n2)CC1 ZINC000015671314 555928395 /nfs/dbraw/zinc/92/83/95/555928395.db2.gz SAQZEJFILALBEF-UHFFFAOYSA-N 1 1 467.595 3.665 50 0 JHAAMO CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccc3ncccc3c1)CC2 ZINC000012247868 555946932 /nfs/dbraw/zinc/94/69/32/555946932.db2.gz FXDKJOPHHCKALJ-JOCHJYFZSA-N 1 1 458.566 3.995 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000015722590 555957724 /nfs/dbraw/zinc/95/77/24/555957724.db2.gz YGAVGOFIEMRCEZ-HSZRJFAPSA-N 1 1 488.698 3.977 50 0 JHAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N(C)c4cc(C)ccc4OC)CC3)n2)cc1OC ZINC000015726358 555964380 /nfs/dbraw/zinc/96/43/80/555964380.db2.gz CSNHUNKDGDCBLR-UHFFFAOYSA-N 1 1 480.565 3.946 50 0 JHAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1)Nc1cc(Cl)ccc1Cl ZINC000022912671 555968095 /nfs/dbraw/zinc/96/80/95/555968095.db2.gz PPVJRZAYZBSSSF-UHFFFAOYSA-N 1 1 453.345 3.717 50 0 JHAAMO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000022934680 555987042 /nfs/dbraw/zinc/98/70/42/555987042.db2.gz GWZQHGVGUVNQHV-UHFFFAOYSA-N 1 1 491.405 3.790 50 0 JHAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(-n3c(-c4ccccc4)nc4cccnc43)cc2)CC1 ZINC000022936571 555989461 /nfs/dbraw/zinc/98/94/61/555989461.db2.gz LVIKHGUKCSUVFK-UHFFFAOYSA-N 1 1 468.605 3.845 50 0 JHAAMO COc1ccccc1[C@@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1)[NH+](C)C ZINC000012526214 555994347 /nfs/dbraw/zinc/99/43/47/555994347.db2.gz AFHAQCMJXFRQOL-HSZRJFAPSA-N 1 1 485.581 3.976 50 0 JHAAMO CCc1ccccc1N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(C)(=O)=O ZINC000015821557 556010201 /nfs/dbraw/zinc/01/02/01/556010201.db2.gz GGBNYNSEEOTKAE-UHFFFAOYSA-N 1 1 491.657 3.949 50 0 JHAAMO COc1ccc(C)cc1C[NH+]1CCN(CN2C(=O)N[C@@](CC(C)C)(c3ccccc3)C2=O)CC1 ZINC000023257620 556036450 /nfs/dbraw/zinc/03/64/50/556036450.db2.gz YSWCZJHIWWZULN-MHZLTWQESA-N 1 1 464.610 3.572 50 0 JHAAMO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cc1 ZINC000012567245 556066299 /nfs/dbraw/zinc/06/62/99/556066299.db2.gz FXIQCOHRDJGWKT-KBMIEXCESA-N 1 1 483.586 3.939 50 0 JHAAMO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cc1 ZINC000012567245 556066301 /nfs/dbraw/zinc/06/63/01/556066301.db2.gz FXIQCOHRDJGWKT-KBMIEXCESA-N 1 1 483.586 3.939 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@]12[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000016009600 556108176 /nfs/dbraw/zinc/10/81/76/556108176.db2.gz WHNFAJLKJUWXOF-FSBGXSNOSA-N 1 1 486.753 3.534 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@]12[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016009600 556108179 /nfs/dbraw/zinc/10/81/79/556108179.db2.gz WHNFAJLKJUWXOF-FSBGXSNOSA-N 1 1 486.753 3.534 50 0 JHAAMO c1csc(-c2csc3nc(CN4CCOCC4)nc(N4CC[NH+](Cc5ccccn5)CC4)c23)c1 ZINC000023989460 556113403 /nfs/dbraw/zinc/11/34/03/556113403.db2.gz RREGPJLGJKYKHN-UHFFFAOYSA-N 1 1 492.674 3.969 50 0 JHAAMO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1Cl ZINC000012912210 556131401 /nfs/dbraw/zinc/13/14/01/556131401.db2.gz TVMOEKAAPSQQDH-SFHVURJKSA-N 1 1 453.992 3.530 50 0 JHAAMO COC(=O)c1sc(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c(C(=O)OC)c1C ZINC000024976296 556166749 /nfs/dbraw/zinc/16/67/49/556166749.db2.gz CJGNWJMNAPTWNY-UHFFFAOYSA-N 1 1 488.562 3.742 50 0 JHAAMO COC(=O)c1sc(NC(=O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c(C(=O)OC)c1C ZINC000024976296 556166752 /nfs/dbraw/zinc/16/67/52/556166752.db2.gz CJGNWJMNAPTWNY-UHFFFAOYSA-N 1 1 488.562 3.742 50 0 JHAAMO CC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000024992471 556171196 /nfs/dbraw/zinc/17/11/96/556171196.db2.gz IXIHVCQWTQSPSR-XMMPIXPASA-N 1 1 461.562 3.543 50 0 JHAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000012983824 556177076 /nfs/dbraw/zinc/17/70/76/556177076.db2.gz CDFFERSYWKOHRI-OAHLLOKOSA-N 1 1 452.536 3.595 50 0 JHAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000012983824 556177078 /nfs/dbraw/zinc/17/70/78/556177078.db2.gz CDFFERSYWKOHRI-OAHLLOKOSA-N 1 1 452.536 3.595 50 0 JHAAMO CCCc1nnc(NC(=O)CCC(=O)N2CC[NH+](CCOc3cccc4ccccc43)CC2)s1 ZINC000016956389 556187317 /nfs/dbraw/zinc/18/73/17/556187317.db2.gz XWAWSFRNVYVYSJ-UHFFFAOYSA-N 1 1 481.622 3.586 50 0 JHAAMO Cc1cc(O)c([C@H](c2ccccc2)[NH+]2CCN(c3ccccn3)CC2)c(=O)n1Cc1ccco1 ZINC000016993926 556198355 /nfs/dbraw/zinc/19/83/55/556198355.db2.gz MLHHOGBPBVJLPN-SANMLTNESA-N 1 1 456.546 3.810 50 0 JHAAMO COc1cc(S(=O)(=O)N2CCN(c3nc(Nc4ccc(C)cc4)cc(C)[nH+]3)CC2)c(C)cc1C ZINC000017042665 556208930 /nfs/dbraw/zinc/20/89/30/556208930.db2.gz GUSMTEFERZJOHW-UHFFFAOYSA-N 1 1 481.622 3.973 50 0 JHAAMO O=C(NCCC[NH+]1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000025336498 556209553 /nfs/dbraw/zinc/20/95/53/556209553.db2.gz QWCFKIFXAKFCAA-UHFFFAOYSA-N 1 1 469.383 3.754 50 0 JHAAMO CCOc1ccc(S(=O)(=O)N2CCN(c3nc(Nc4ccc(C)cc4)cc(C)[nH+]3)CC2)cc1 ZINC000017308082 556255861 /nfs/dbraw/zinc/25/58/61/556255861.db2.gz JYLIRMJEDTVODU-UHFFFAOYSA-N 1 1 467.595 3.747 50 0 JHAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3cccc(NC(=O)c4cccnc4)c3)cc2)C[C@@H](C)O1 ZINC000029712434 556355619 /nfs/dbraw/zinc/35/56/19/556355619.db2.gz XZKXWALYHOVBBD-WOJBJXKFSA-N 1 1 458.562 3.873 50 0 JHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000030015524 556362457 /nfs/dbraw/zinc/36/24/57/556362457.db2.gz OXYZQPOXTQKHLM-UHFFFAOYSA-N 1 1 459.525 3.564 50 0 JHAAMO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000030029203 556362996 /nfs/dbraw/zinc/36/29/96/556362996.db2.gz CUCYTESWCWNFNB-HSZRJFAPSA-N 1 1 477.536 3.981 50 0 JHAAMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000030029203 556363000 /nfs/dbraw/zinc/36/30/00/556363000.db2.gz CUCYTESWCWNFNB-HSZRJFAPSA-N 1 1 477.536 3.981 50 0 JHAAMO O=C(c1cncs1)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000019742346 556365117 /nfs/dbraw/zinc/36/51/17/556365117.db2.gz MBBUSQCYGNYJOD-XMMPIXPASA-N 1 1 491.661 3.787 50 0 JHAAMO CCOc1cc(CNC[C@@H](Cc2ccccc2)[NH+](CC)CC)ccc1O[C@@H](C)C(=O)N(C)C ZINC000030902909 556387618 /nfs/dbraw/zinc/38/76/18/556387618.db2.gz YAXBBGQWVRKGLH-XUZZJYLKSA-N 1 1 455.643 3.984 50 0 JHAAMO COc1cccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)c1 ZINC000030981280 556390642 /nfs/dbraw/zinc/39/06/42/556390642.db2.gz PANVAFZQOVMAGG-UHFFFAOYSA-N 1 1 452.511 3.613 50 0 JHAAMO COc1c(C)c[nH+]c(CN2CC[NH+]([C@@H](C(=O)[O-])c3c[nH]c4cc(Br)ccc43)CC2)c1C ZINC000031807880 556405211 /nfs/dbraw/zinc/40/52/11/556405211.db2.gz MBERFRKAHLBDQX-OAQYLSRUSA-N 1 1 487.398 3.894 50 0 JHAAMO COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cc2)c1C ZINC000032841689 556508035 /nfs/dbraw/zinc/50/80/35/556508035.db2.gz BXWMZDOEVZCWPD-RUZDIDTESA-N 1 1 460.578 3.724 50 0 JHAAMO COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cc2)c1C ZINC000032841689 556508039 /nfs/dbraw/zinc/50/80/39/556508039.db2.gz BXWMZDOEVZCWPD-RUZDIDTESA-N 1 1 460.578 3.724 50 0 JHAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccc4c(c2)OCCO4)CCO3)C1 ZINC000055281773 569591526 /nfs/dbraw/zinc/59/15/26/569591526.db2.gz LUOGLAAMXIHFBW-DEOSSOPVSA-N 1 1 493.648 3.933 50 0 JHAAMO Cc1ccc(C(=O)N2CCC(CC(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000032974212 569605307 /nfs/dbraw/zinc/60/53/07/569605307.db2.gz WDCYYQFBPIGPOH-UHFFFAOYSA-N 1 1 476.665 3.561 50 0 JHAAMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccsc2NC(=O)c2ccc(C(C)C)cc2)CC1 ZINC000059894349 569608144 /nfs/dbraw/zinc/60/81/44/569608144.db2.gz BYFNWKBKNUDHAG-UHFFFAOYSA-N 1 1 470.639 3.844 50 0 JHAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801595 569631410 /nfs/dbraw/zinc/63/14/10/569631410.db2.gz PAZINDRUINNSIN-UHFFFAOYSA-N 1 1 462.510 3.780 50 0 JHAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801923 569631572 /nfs/dbraw/zinc/63/15/72/569631572.db2.gz MWSVCEDEAHMEAK-UHFFFAOYSA-N 1 1 453.568 3.783 50 0 JHAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCN(c4ccc(F)cc4)CC3)c2)C1 ZINC000034668744 569640737 /nfs/dbraw/zinc/64/07/37/569640737.db2.gz YVYGXVBMKRGNSG-JOCHJYFZSA-N 1 1 453.558 3.563 50 0 JHAAMO O=C(NCc1ccccc1)N1CCO[C@@H](C[N@@H+]2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000034692186 569646527 /nfs/dbraw/zinc/64/65/27/569646527.db2.gz NEFYOTPMSGJGOZ-MHZLTWQESA-N 1 1 486.616 3.598 50 0 JHAAMO O=C(NCc1ccccc1)N1CCO[C@@H](C[N@H+]2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000034692186 569646528 /nfs/dbraw/zinc/64/65/28/569646528.db2.gz NEFYOTPMSGJGOZ-MHZLTWQESA-N 1 1 486.616 3.598 50 0 JHAAMO COCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](Oc1ccccc1)C(=O)NCc1ccccc1 ZINC000034708043 569650232 /nfs/dbraw/zinc/65/02/32/569650232.db2.gz JOEPIEHSHWGZIP-HHHXNRCGSA-N 1 1 478.589 3.916 50 0 JHAAMO COc1ccc(CN2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)cc4)c3C2)cc1 ZINC000034755508 569655924 /nfs/dbraw/zinc/65/59/24/569655924.db2.gz UPDULAHRPQAAHA-UHFFFAOYSA-N 1 1 463.557 3.727 50 0 JHAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)cc4F)n2)CN(C(=O)Nc2ccccc2)CC3)CC1 ZINC000034757297 569656838 /nfs/dbraw/zinc/65/68/38/569656838.db2.gz XSDOXSHZYLHBEE-UHFFFAOYSA-N 1 1 480.519 3.889 50 0 JHAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)c2ccco2)CC1 ZINC000034787974 569659885 /nfs/dbraw/zinc/65/98/85/569659885.db2.gz AUVXPQLZEHKMKW-RUZDIDTESA-N 1 1 463.603 3.972 50 0 JHAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)c2ccco2)CC1 ZINC000034787974 569659886 /nfs/dbraw/zinc/65/98/86/569659886.db2.gz AUVXPQLZEHKMKW-RUZDIDTESA-N 1 1 463.603 3.972 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2n(n1)CCN(Cc1c(Cl)cccc1Cl)C2=O ZINC000034811702 569661932 /nfs/dbraw/zinc/66/19/32/569661932.db2.gz FRIQRRWYCXIGCM-INIZCTEOSA-N 1 1 478.424 3.840 50 0 JHAAMO CCCN1C(=O)c2ccccc2[C@H](C(=O)N2CC[NH+](CC)CC2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928197 569673449 /nfs/dbraw/zinc/67/34/49/569673449.db2.gz IJFMKXWZMHPOLJ-LOSJGSFVSA-N 1 1 495.620 3.567 50 0 JHAAMO COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)C3)n2)cc1 ZINC000035325677 569680754 /nfs/dbraw/zinc/68/07/54/569680754.db2.gz KBNHTQVJMYCIKG-SVFBPWRDSA-N 1 1 455.603 3.731 50 0 JHAAMO Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC3(CC2)NC(c2ccc(OC(F)(F)F)cc2)=NO3)cc1 ZINC000067317661 569686897 /nfs/dbraw/zinc/68/68/97/569686897.db2.gz BIKHPUKIQZPMDQ-QGZVFWFLSA-N 1 1 476.499 3.845 50 0 JHAAMO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCCN4CCN(C)CC4)CC3)cc3ccccc32)cc1 ZINC000035561575 569704489 /nfs/dbraw/zinc/70/44/89/569704489.db2.gz CIIBMTHRKBRKID-UHFFFAOYSA-N 1 1 487.692 3.574 50 0 JHAAMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CCC(=O)Nc3ccc4c(c3)CCC4)C2)cc1 ZINC000078729232 569706577 /nfs/dbraw/zinc/70/65/77/569706577.db2.gz QNACAUJBQUXBGM-HXUWFJFHSA-N 1 1 455.624 3.503 50 0 JHAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000035840172 569713789 /nfs/dbraw/zinc/71/37/89/569713789.db2.gz LFDIDPHFTVIRKW-HMSHQKHKSA-N 1 1 470.356 3.839 50 0 JHAAMO COc1ccccc1C(=O)NC[C@H](C)Oc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000091417083 569721235 /nfs/dbraw/zinc/72/12/35/569721235.db2.gz GTEMYUZCQZXZJX-QFIPXVFZSA-N 1 1 474.605 3.605 50 0 JHAAMO O=C(NC[C@@H]1CCCO1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000035908085 569723909 /nfs/dbraw/zinc/72/39/09/569723909.db2.gz RELDWTWMSMMLHR-ONTIZHBOSA-N 1 1 451.533 3.606 50 0 JHAAMO COc1cc(C[N@H+]2CCCN(c3ccc(NC(=O)COc4ccccc4)cn3)CC2)ccc1O ZINC000095551430 569727687 /nfs/dbraw/zinc/72/76/87/569727687.db2.gz JKWKBEBUWNXJTO-UHFFFAOYSA-N 1 1 462.550 3.526 50 0 JHAAMO O=c1cc(CN2CC[NH+](C3CCCCC3)CC2)nc(N2CCCN(Cc3cccc(Cl)c3)CC2)[nH]1 ZINC000035926879 569730000 /nfs/dbraw/zinc/73/00/00/569730000.db2.gz YIWQEZQJQIXAQX-UHFFFAOYSA-N 1 1 499.103 3.586 50 0 JHAAMO COc1ccc(OCC(=O)Nc2cccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2)cc1 ZINC000096116430 569735306 /nfs/dbraw/zinc/73/53/06/569735306.db2.gz XHOYWAJHXURXEO-GBXCKJPGSA-N 1 1 451.567 3.707 50 0 biogenic JHAAMO Cc1ccccc1CS(=O)(=O)c1ncc(CN(CC[NH+](C)C)C(=O)C2CC2)n1Cc1ccccc1 ZINC000036040330 569753048 /nfs/dbraw/zinc/75/30/48/569753048.db2.gz LTDXDAOIOVBFCJ-UHFFFAOYSA-N 1 1 494.661 3.514 50 0 JHAAMO COCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCSCC1)C[C@H](O)COCc1ccco1 ZINC000036249937 569758129 /nfs/dbraw/zinc/75/81/29/569758129.db2.gz DSSLINQVGZROPI-NRFANRHFSA-N 1 1 487.622 3.514 50 0 JHAAMO COCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccccc1 ZINC000036312091 569759842 /nfs/dbraw/zinc/75/98/42/569759842.db2.gz BNZFIWRJENYDJI-UHFFFAOYSA-N 1 1 452.530 3.521 50 0 JHAAMO CCc1nc(C)nc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)c1Cc1ccc(C)cc1 ZINC000036340610 569763935 /nfs/dbraw/zinc/76/39/35/569763935.db2.gz LGNUVNDAHGNUCA-DEOSSOPVSA-N 1 1 460.622 3.809 50 0 JHAAMO COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000036342290 569765627 /nfs/dbraw/zinc/76/56/27/569765627.db2.gz QHSJKBIPJNBLDW-QHCPKHFHSA-N 1 1 469.969 3.865 50 0 JHAAMO COc1ccccc1[C@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000036342333 569765652 /nfs/dbraw/zinc/76/56/52/569765652.db2.gz DRGGQOZWLNDVCW-XMMPIXPASA-N 1 1 463.578 3.829 50 0 JHAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036344404 569766919 /nfs/dbraw/zinc/76/69/19/569766919.db2.gz PYJDYZXRXCXRDG-AREMUKBSSA-N 1 1 482.584 3.911 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036345179 569767681 /nfs/dbraw/zinc/76/76/81/569767681.db2.gz PSRXGSFZWLGIRD-YKSBVNFPSA-N 1 1 467.541 3.787 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036345179 569767683 /nfs/dbraw/zinc/76/76/83/569767683.db2.gz PSRXGSFZWLGIRD-YKSBVNFPSA-N 1 1 467.541 3.787 50 0 JHAAMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000036389643 569774412 /nfs/dbraw/zinc/77/44/12/569774412.db2.gz YONZIEXTSOTSGP-HHHXNRCGSA-N 1 1 494.636 3.966 50 0 JHAAMO Cc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000036548380 569776368 /nfs/dbraw/zinc/77/63/68/569776368.db2.gz ZLSJYJQIKNDMBX-FTJBHMTQSA-N 1 1 452.558 3.857 50 0 JHAAMO Cn1nc2nc(N3CC[NH+](Cc4ccc(F)cc4)CC3)nc(-c3ccc(F)c(Cl)c3)c2c1N ZINC000037360930 569784036 /nfs/dbraw/zinc/78/40/36/569784036.db2.gz UGBRKKZASKEYBG-UHFFFAOYSA-N 1 1 469.927 3.866 50 0 JHAAMO COc1cc(CN2CC[N@@H+](Cc3c(OC)ccc4ccccc43)C[C@H]2CCO)cc(OC)c1 ZINC000039380681 569809575 /nfs/dbraw/zinc/80/95/75/569809575.db2.gz RHMXUWVKIMHISP-JOCHJYFZSA-N 1 1 450.579 3.934 50 0 JHAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)NC[C@@H](c1ccncc1)N1CCOCC1 ZINC000039499925 569809960 /nfs/dbraw/zinc/80/99/60/569809960.db2.gz RXGBOIYEKGIREU-XTEPFMGCSA-N 1 1 486.616 3.597 50 0 JHAAMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccccc2OCCOc2ccccc2)c1 ZINC000040157935 569821923 /nfs/dbraw/zinc/82/19/23/569821923.db2.gz VAHKTSANIOKUSU-DEOSSOPVSA-N 1 1 459.546 3.846 50 0 JHAAMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccccc2OCCOc2ccccc2)c1 ZINC000040157935 569821924 /nfs/dbraw/zinc/82/19/24/569821924.db2.gz VAHKTSANIOKUSU-DEOSSOPVSA-N 1 1 459.546 3.846 50 0 JHAAMO COc1ccccc1[C@H]1C(C(=O)OC(C)(C)C)=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N21 ZINC000103049790 569832374 /nfs/dbraw/zinc/83/23/74/569832374.db2.gz JBMJILLJFVVHDR-QHCPKHFHSA-N 1 1 498.649 3.776 50 0 JHAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000106535652 569854322 /nfs/dbraw/zinc/85/43/22/569854322.db2.gz JJHRXZGFKLPUEV-YDLHNXBPSA-N 1 1 453.901 3.527 50 0 JHAAMO CC(C)[C@H](C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000107349685 569856355 /nfs/dbraw/zinc/85/63/55/569856355.db2.gz VPJIJBSIWRAXQR-DBXWQHBBSA-N 1 1 451.011 3.540 50 0 JHAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COC ZINC000169680361 569870437 /nfs/dbraw/zinc/87/04/37/569870437.db2.gz FVRKSQDKSSGVFF-NFBKMPQASA-N 1 1 460.640 3.706 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000245325620 570064253 /nfs/dbraw/zinc/06/42/53/570064253.db2.gz BKIXRZUYWAJKFU-BWKNWUBXSA-N 1 1 472.649 3.523 50 0 JHAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000247702507 570068760 /nfs/dbraw/zinc/06/87/60/570068760.db2.gz ASURZQRPSMSXKP-LWSSLDFYSA-N 1 1 453.473 3.980 50 0 JHAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000247702507 570068764 /nfs/dbraw/zinc/06/87/64/570068764.db2.gz ASURZQRPSMSXKP-LWSSLDFYSA-N 1 1 453.473 3.980 50 0 JHAAMO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@]23C(=O)Nc2c3cc(Cl)cc2C)c1 ZINC000247936597 570071354 /nfs/dbraw/zinc/07/13/54/570071354.db2.gz SMOKTNLPARAYGW-RGUAHJAXSA-N 1 1 455.942 3.936 50 0 JHAAMO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]3CCC[N@H+]3[C@]23C(=O)Nc2c3cc(Cl)cc2C)c1 ZINC000247936597 570071355 /nfs/dbraw/zinc/07/13/55/570071355.db2.gz SMOKTNLPARAYGW-RGUAHJAXSA-N 1 1 455.942 3.936 50 0 JHAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(C(=O)Nc5c4ccc(C)c5C)[C@H]3C2=O)c(Br)c1 ZINC000248333365 570077681 /nfs/dbraw/zinc/07/76/81/570077681.db2.gz JYFFTTFOFVNVQH-OZAHESQGSA-N 1 1 494.389 3.806 50 0 JHAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000249680928 570078433 /nfs/dbraw/zinc/07/84/33/570078433.db2.gz AYRAODBRFZDFIE-TVQWTUMOSA-N 1 1 451.526 3.685 50 0 JHAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000253389804 570095609 /nfs/dbraw/zinc/09/56/09/570095609.db2.gz HZWRDYGRQQRKPO-UDQIJZATSA-N 1 1 486.355 3.742 50 0 JHAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000253389804 570095610 /nfs/dbraw/zinc/09/56/10/570095610.db2.gz HZWRDYGRQQRKPO-UDQIJZATSA-N 1 1 486.355 3.742 50 0 JHAAMO C(=C/c1ccccc1)\C[NH+]1CCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)CC1 ZINC000003568720 194338192 /nfs/dbraw/zinc/33/81/92/194338192.db2.gz JGNFUYSERQFTDK-VMPITWQZSA-N 1 1 475.662 3.848 50 0 JHAAMO C[N@@H+](CCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1)Cc1ccccc1 ZINC000003670378 194358030 /nfs/dbraw/zinc/35/80/30/194358030.db2.gz HMDKSKAQMIIZSM-RUZDIDTESA-N 1 1 464.953 3.785 50 0 JHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1 ZINC000004099907 194377357 /nfs/dbraw/zinc/37/73/57/194377357.db2.gz OGZQVUMVHVCECN-IBGZPJMESA-N 1 1 450.576 3.918 50 0 JHAAMO C[N@H+](CCOc1ccc(Br)cc1)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000012697925 195090683 /nfs/dbraw/zinc/09/06/83/195090683.db2.gz ULHFTTYALSORPL-UHFFFAOYSA-N 1 1 464.751 3.633 50 0 JHAAMO C[N@@H+](CCOc1ccc(Br)cc1)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000012697925 195090686 /nfs/dbraw/zinc/09/06/86/195090686.db2.gz ULHFTTYALSORPL-UHFFFAOYSA-N 1 1 464.751 3.633 50 0 JHAAMO CC(C)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000012780231 195123960 /nfs/dbraw/zinc/12/39/60/195123960.db2.gz RNUIUUBQWNJVBB-TYOAQRMGSA-N 1 1 464.031 3.674 50 0 JHAAMO C[N@H+](CC(=O)N1CCN(Cc2ccc(Br)s2)CC1)Cc1ccc(OC(F)F)cc1 ZINC000012791424 195132269 /nfs/dbraw/zinc/13/22/69/195132269.db2.gz YNAACYPAMPRFCW-UHFFFAOYSA-N 1 1 488.398 3.888 50 0 JHAAMO C[N@@H+](CC(=O)N1CCN(Cc2ccc(Br)s2)CC1)Cc1ccc(OC(F)F)cc1 ZINC000012791424 195132271 /nfs/dbraw/zinc/13/22/71/195132271.db2.gz YNAACYPAMPRFCW-UHFFFAOYSA-N 1 1 488.398 3.888 50 0 JHAAMO O=C(COc1ccc(Br)cc1Br)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000012825052 195150893 /nfs/dbraw/zinc/15/08/93/195150893.db2.gz XPRSJFGKRDYIAU-UHFFFAOYSA-N 1 1 498.215 3.739 50 0 JHAAMO O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012863752 195160509 /nfs/dbraw/zinc/16/05/09/195160509.db2.gz BTOIQVDJRDQFLN-QGZVFWFLSA-N 1 1 474.321 3.815 50 0 JHAAMO CCOc1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc(Br)c1OC ZINC000012904868 195179154 /nfs/dbraw/zinc/17/91/54/195179154.db2.gz ZTGZZGHHMFGMHJ-UHFFFAOYSA-N 1 1 455.393 3.621 50 0 JHAAMO O=C(CCC(=O)N1CCC(c2noc3cc(F)ccc32)CC1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000020762436 195218581 /nfs/dbraw/zinc/21/85/81/195218581.db2.gz AKDVPGIPGISLHK-SIKLNZKXSA-N 1 1 470.589 3.834 50 0 biogenic JHAAMO Cc1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1NC(=O)C1=CSCCO1 ZINC000021019835 195267228 /nfs/dbraw/zinc/26/72/28/195267228.db2.gz JWZWZAVPSRQLPV-UHFFFAOYSA-N 1 1 451.592 3.717 50 0 JHAAMO COc1ccc(OC)c(Nc2ncc3c(n2)CC[N@@H+](Cc2ccc(OC)c(OC)c2OC)C3)c1 ZINC000021039029 195270297 /nfs/dbraw/zinc/27/02/97/195270297.db2.gz UNLKNVGTKAUHAG-UHFFFAOYSA-N 1 1 466.538 3.822 50 0 JHAAMO COc1ccc(OC)c(Nc2ncc3c(n2)CC[N@H+](Cc2ccc(OC)c(OC)c2OC)C3)c1 ZINC000021039029 195270299 /nfs/dbraw/zinc/27/02/99/195270299.db2.gz UNLKNVGTKAUHAG-UHFFFAOYSA-N 1 1 466.538 3.822 50 0 JHAAMO O=C1C[C@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CN1c1ccccc1Br ZINC000021171598 195289518 /nfs/dbraw/zinc/28/95/18/195289518.db2.gz PCSPKGLXDBIGTK-KRWDZBQOSA-N 1 1 469.383 3.652 50 0 JHAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000021538891 195312462 /nfs/dbraw/zinc/31/24/62/195312462.db2.gz NQZRFQSIQGFGLI-UHFFFAOYSA-N 1 1 461.635 3.986 50 0 JHAAMO Cc1cccc(O[C@@H](C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)C(=O)NCC2CC2)c1 ZINC000096281483 130027753 /nfs/dbraw/zinc/02/77/53/130027753.db2.gz DDDBOCODFKCZRH-OZXSUGGESA-N 1 1 466.578 3.679 50 0 JHAAMO O=C(/C=C\c1ccc(Cl)c(Cl)c1)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000096309041 130057595 /nfs/dbraw/zinc/05/75/95/130057595.db2.gz VOGGCASBRWHSNL-ALCCZGGFSA-N 1 1 462.377 3.984 50 0 JHAAMO CC(=O)c1ccc(N2CC[NH+]([C@H]3CCc4c(c(C(=O)N(C)Cc5ccccc5)nn4C)C3)CC2)cc1 ZINC000014745892 518352269 /nfs/dbraw/zinc/35/22/69/518352269.db2.gz KOKWCOKRIZFOBS-VWLOTQADSA-N 1 1 485.632 3.574 50 0 JHAAMO CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000021650497 519702063 /nfs/dbraw/zinc/70/20/63/519702063.db2.gz NANRMGFZKOYEKJ-FQEVSTJZSA-N 1 1 480.657 3.594 50 0 JHAAMO CC(C)CNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2nccn2C)C1 ZINC000014740567 519739896 /nfs/dbraw/zinc/73/98/96/519739896.db2.gz KQGYICFYENCMSP-ZWKOTPCHSA-N 1 1 452.521 3.728 50 0 JHAAMO CC(C)CNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2nccn2C)C1 ZINC000014740567 519739898 /nfs/dbraw/zinc/73/98/98/519739898.db2.gz KQGYICFYENCMSP-ZWKOTPCHSA-N 1 1 452.521 3.728 50 0 JHAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COC ZINC000036308895 520318807 /nfs/dbraw/zinc/31/88/07/520318807.db2.gz FVRKSQDKSSGVFF-OFNKIYASSA-N 1 1 460.640 3.706 50 0 JHAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000004760314 520476050 /nfs/dbraw/zinc/47/60/50/520476050.db2.gz QBKDHDIUCUFQQE-XZOQPEGZSA-N 1 1 473.639 3.914 50 0 JHAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]12 ZINC000036056327 520892851 /nfs/dbraw/zinc/89/28/51/520892851.db2.gz WCLPROWZLCLCAL-FYYLOGMGSA-N 1 1 453.384 3.843 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000036309795 521537913 /nfs/dbraw/zinc/53/79/13/521537913.db2.gz IDJVGAWZGBXTDF-OFNKIYASSA-N 1 1 478.630 3.890 50 0 JHAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccccc1C(=O)OCC)CC[N@H+](Cc1ccccc1)C2 ZINC000035457097 521538932 /nfs/dbraw/zinc/53/89/32/521538932.db2.gz TUWYJPTVIDSOPW-UHFFFAOYSA-N 1 1 488.588 3.570 50 0 JHAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccccc1C(=O)OCC)CC[N@@H+](Cc1ccccc1)C2 ZINC000035457097 521538940 /nfs/dbraw/zinc/53/89/40/521538940.db2.gz TUWYJPTVIDSOPW-UHFFFAOYSA-N 1 1 488.588 3.570 50 0 JHAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H](O)CN1CCOCC1 ZINC000036307228 521678500 /nfs/dbraw/zinc/67/85/00/521678500.db2.gz AMXXCCCEISTLFO-HSZRJFAPSA-N 1 1 482.600 3.924 50 0 JHAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)CN1CCOCC1 ZINC000036303958 521679415 /nfs/dbraw/zinc/67/94/15/521679415.db2.gz VSWGGGHJFCUNCH-XMMPIXPASA-N 1 1 494.636 3.887 50 0 JHAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000022457538 521693283 /nfs/dbraw/zinc/69/32/83/521693283.db2.gz NTRYPVBJLOOOHU-HNAYVOBHSA-N 1 1 472.474 3.556 50 0 JHAAMO COCCn1c(C)cc(O)c([C@H](c2cccc(OC)c2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022697599 522064624 /nfs/dbraw/zinc/06/46/24/522064624.db2.gz TTWKIUHTZJSJCY-SANMLTNESA-N 1 1 481.568 3.568 50 0 JHAAMO COC[C@@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309688 522400337 /nfs/dbraw/zinc/40/03/37/522400337.db2.gz UFFGGAIKBSWMFD-REWPJTCUSA-N 1 1 478.630 3.747 50 0 JHAAMO CCc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000033139824 522507733 /nfs/dbraw/zinc/50/77/33/522507733.db2.gz SRPYAKCXAPCQFW-UHFFFAOYSA-N 1 1 457.376 3.606 50 0 JHAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](CCOC)C[C@H](O)COC ZINC000036303141 522642561 /nfs/dbraw/zinc/64/25/61/522642561.db2.gz UWLYXGUQVMZVDY-FQEVSTJZSA-N 1 1 457.546 3.822 50 0 JHAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CCOC)C[C@H](O)COC ZINC000036303141 522642569 /nfs/dbraw/zinc/64/25/69/522642569.db2.gz UWLYXGUQVMZVDY-FQEVSTJZSA-N 1 1 457.546 3.822 50 0 JHAAMO C[N@@H+](CCCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Cc1ccccc1 ZINC000033254683 522757300 /nfs/dbraw/zinc/75/73/00/522757300.db2.gz LBPJBEZTCLJLMO-UHFFFAOYSA-N 1 1 478.058 3.769 50 0 JHAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](Cc2ccc4c(c2)Cc2ccccc2-4)CC3)o1 ZINC000014988719 522960623 /nfs/dbraw/zinc/96/06/23/522960623.db2.gz ZNHZIONWNOHOGS-UHFFFAOYSA-N 1 1 483.572 3.577 50 0 JHAAMO CCn1c(C)cc(O)c([C@@H](c2ccccc2OC)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022696951 523139844 /nfs/dbraw/zinc/13/98/44/523139844.db2.gz WJPBBNLHTGUZDN-RUZDIDTESA-N 1 1 451.542 3.942 50 0 JHAAMO CCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000022697290 523141803 /nfs/dbraw/zinc/14/18/03/523141803.db2.gz VDUNOHNFFIWCQF-DEOSSOPVSA-N 1 1 450.608 3.911 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000033131287 523171919 /nfs/dbraw/zinc/17/19/19/523171919.db2.gz CASCXLRMHMMJAT-GOSISDBHSA-N 1 1 456.052 3.899 50 0 JHAAMO COCCC[N@@H+](Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[nH]1)C[C@@H](O)COC(C)C ZINC000036206421 523269956 /nfs/dbraw/zinc/26/99/56/523269956.db2.gz XXKHBGHDXNXLQR-GOSISDBHSA-N 1 1 480.030 3.929 50 0 JHAAMO COCCC[N@H+](Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[nH]1)C[C@@H](O)COC(C)C ZINC000036206421 523269963 /nfs/dbraw/zinc/26/99/63/523269963.db2.gz XXKHBGHDXNXLQR-GOSISDBHSA-N 1 1 480.030 3.929 50 0 JHAAMO CC[C@@H]1CN(C(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c2ccccc2O1 ZINC000020489430 523394164 /nfs/dbraw/zinc/39/41/64/523394164.db2.gz GAPWEMGLJNRCNC-XMMPIXPASA-N 1 1 476.621 3.840 50 0 JHAAMO C[N@@H+](Cc1nc(-c2ccccc2)no1)C1CCN(c2ccc(C(=O)N3CCC[C@@H](CO)C3)cc2)CC1 ZINC000014969831 523546710 /nfs/dbraw/zinc/54/67/10/523546710.db2.gz XJCRTJDJKLQFAB-OAQYLSRUSA-N 1 1 489.620 3.682 50 0 JHAAMO CCc1c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)cc(C)n1C[C@@H]1CCC[N@@H+]1CC ZINC000014980899 523687140 /nfs/dbraw/zinc/68/71/40/523687140.db2.gz ANZZDVXGJIWBDQ-DVOKUDDGSA-N 1 1 476.665 3.675 50 0 JHAAMO COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3cc4c(cc3Cl)OCO4)CC2)C1=O ZINC000014754933 523800899 /nfs/dbraw/zinc/80/08/99/523800899.db2.gz UXJSVYSGCAVBDV-UHFFFAOYSA-N 1 1 485.968 3.514 50 0 JHAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000034927801 523809194 /nfs/dbraw/zinc/80/91/94/523809194.db2.gz JRUBFUQPXWCDQC-VSGBNLITSA-N 1 1 483.612 3.958 50 0 JHAAMO COc1ccc(C[N@H+]2CCc3c(C(=O)N(C)[C@H](C)c4ccco4)c(OC)cc(=O)n3CC2)cc1C ZINC000020455488 524039192 /nfs/dbraw/zinc/03/91/92/524039192.db2.gz ZFSPAOVXFUXDGC-LJQANCHMSA-N 1 1 479.577 3.658 50 0 JHAAMO COc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)[C@H](C)c4ccco4)c(OC)cc(=O)n3CC2)cc1C ZINC000020455488 524039196 /nfs/dbraw/zinc/03/91/96/524039196.db2.gz ZFSPAOVXFUXDGC-LJQANCHMSA-N 1 1 479.577 3.658 50 0 JHAAMO COc1ccc(NC(=O)c2c(NC(=O)C[NH2+]Cc3ccco3)sc3c2CCC3)c(OC)c1 ZINC000004664766 524621721 /nfs/dbraw/zinc/62/17/21/524621721.db2.gz BIJQPMOXXWUEKD-UHFFFAOYSA-N 1 1 455.536 3.828 50 0 JHAAMO COc1ccccc1[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1)[NH+](C)C ZINC000012521300 524733345 /nfs/dbraw/zinc/73/33/45/524733345.db2.gz SBGRRXPKDNBZLN-HSZRJFAPSA-N 1 1 485.581 3.976 50 0 JHAAMO C[C@@H](CNc1cc(C(=O)N2CCC[N@@H+](C)CC2)cc(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1 ZINC000014749079 524753113 /nfs/dbraw/zinc/75/31/13/524753113.db2.gz FTYLNCRCWPAIHY-FQEVSTJZSA-N 1 1 486.682 3.757 50 0 JHAAMO COc1ccccc1[C@H]1CC(c2cc(C)ccc2C)=NN1C(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000036343001 524807822 /nfs/dbraw/zinc/80/78/22/524807822.db2.gz SJZAPVXVZXYXDZ-XMMPIXPASA-N 1 1 463.578 3.829 50 0 JHAAMO Cc1ccc(NC(=O)N2CC[NH+](CCn3c(-c4ccncc4)nc4cccnc43)CC2)cc1C ZINC000033139772 525131982 /nfs/dbraw/zinc/13/19/82/525131982.db2.gz IQLPXZAGVSPUGI-UHFFFAOYSA-N 1 1 455.566 3.960 50 0 JHAAMO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccc(OCc3ccccc3)cc1)CC2 ZINC000012280508 525359077 /nfs/dbraw/zinc/35/90/77/525359077.db2.gz NAAGLDJZBSAGCQ-HXUWFJFHSA-N 1 1 471.561 3.999 50 0 JHAAMO Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1 ZINC000048324037 525451872 /nfs/dbraw/zinc/45/18/72/525451872.db2.gz CCPYQYNKGCODPL-ICSRJNTNSA-N 1 1 452.580 3.828 50 0 JHAAMO COc1ccc2c(c1)O[C@H](C)C[N@H+](CCC(=O)N1CCCN(Cc3ccccc3F)CC1)C2 ZINC000012328489 525569153 /nfs/dbraw/zinc/56/91/53/525569153.db2.gz TURWTNFFOPIXEX-HXUWFJFHSA-N 1 1 455.574 3.542 50 0 JHAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(N3CCCCC3)n2Cc2ccco2)CC1 ZINC000023133575 526098209 /nfs/dbraw/zinc/09/82/09/526098209.db2.gz KMUJVBYPXGBXPJ-OAQYLSRUSA-N 1 1 494.665 3.907 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)C1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1 ZINC000033260169 526248732 /nfs/dbraw/zinc/24/87/32/526248732.db2.gz AVTBHCLANDNSOK-SFHVURJKSA-N 1 1 482.032 3.652 50 0 JHAAMO Fc1cccc(-c2noc(-c3ccc(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)nc3)n2)c1 ZINC000065097916 526381203 /nfs/dbraw/zinc/38/12/03/526381203.db2.gz 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O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000022935140 555987847 /nfs/dbraw/zinc/98/78/47/555987847.db2.gz CWOVXTDJACMPOL-UHFFFAOYSA-N 1 1 472.564 3.787 50 0 JHAAMO CCN1CC[NH+]([C@@H]2CCc3c(sc4ncn(CCc5ccccc5Cl)c(=O)c34)C2)CC1 ZINC000023362198 556049413 /nfs/dbraw/zinc/04/94/13/556049413.db2.gz DELKURYAUIVKBV-GOSISDBHSA-N 1 1 457.043 3.849 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000016000384 556105021 /nfs/dbraw/zinc/10/50/21/556105021.db2.gz JCIZSPTVSDDPDB-QUMGSSFMSA-N 1 1 479.536 3.845 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000016000384 556105024 /nfs/dbraw/zinc/10/50/24/556105024.db2.gz JCIZSPTVSDDPDB-QUMGSSFMSA-N 1 1 479.536 3.845 50 0 JHAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000016000995 556105936 /nfs/dbraw/zinc/10/59/36/556105936.db2.gz HZWRDYGRQQRKPO-WDEBQMKVSA-N 1 1 486.355 3.742 50 0 JHAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000016000995 556105938 /nfs/dbraw/zinc/10/59/38/556105938.db2.gz HZWRDYGRQQRKPO-WDEBQMKVSA-N 1 1 486.355 3.742 50 0 JHAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016010014 556109096 /nfs/dbraw/zinc/10/90/96/556109096.db2.gz PEGRHPCEDBXBQM-IMBSWCNGSA-N 1 1 451.526 3.685 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016010295 556109697 /nfs/dbraw/zinc/10/96/97/556109697.db2.gz RQKPMLMXMQTLBT-DDOIHHOZSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016010295 556109701 /nfs/dbraw/zinc/10/97/01/556109701.db2.gz RQKPMLMXMQTLBT-DDOIHHOZSA-N 1 1 456.329 3.733 50 0 JHAAMO CC(C)C[N@@H+]1CCO[C@@H](CSc2nnc(-c3nn(Cc4ccccc4)c(=O)c4ccccc43)o2)C1 ZINC000012930848 556147546 /nfs/dbraw/zinc/14/75/46/556147546.db2.gz KDFMBSCCHRQMJS-HXUWFJFHSA-N 1 1 491.617 3.944 50 0 JHAAMO CC(C)C[N@H+]1CCO[C@@H](CSc2nnc(-c3nn(Cc4ccccc4)c(=O)c4ccccc43)o2)C1 ZINC000012930848 556147550 /nfs/dbraw/zinc/14/75/50/556147550.db2.gz KDFMBSCCHRQMJS-HXUWFJFHSA-N 1 1 491.617 3.944 50 0 JHAAMO Cc1ccc(-c2cc(C(=O)NC[C@H]([C@H]3CCOC3)[NH+]3CCOCC3)c3ccccc3n2)c(C)c1 ZINC000013008992 556200443 /nfs/dbraw/zinc/20/04/43/556200443.db2.gz MVGKEKGYIAOGAW-KDYSTLNUSA-N 1 1 459.590 3.986 50 0 JHAAMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000013038416 556236337 /nfs/dbraw/zinc/23/63/37/556236337.db2.gz WXUVSWWHVYPREQ-HXUWFJFHSA-N 1 1 453.608 3.978 50 0 JHAAMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000013038416 556236339 /nfs/dbraw/zinc/23/63/39/556236339.db2.gz WXUVSWWHVYPREQ-HXUWFJFHSA-N 1 1 453.608 3.978 50 0 JHAAMO CCOC(=O)C1CC[NH+]([C@@H](c2cccnc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000017296980 556252402 /nfs/dbraw/zinc/25/24/02/556252402.db2.gz UYARGMGCQYIUHE-VWLOTQADSA-N 1 1 461.562 3.670 50 0 JHAAMO O=C(CC[NH+]1CCN(CCO)CC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000019338446 556342978 /nfs/dbraw/zinc/34/29/78/556342978.db2.gz KRMKBOUUDPUIDK-UHFFFAOYSA-N 1 1 451.514 3.835 50 0 biogenic,in-man JHAAMO C[C@@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1C(=O)c2ccccc2C1=O ZINC000019607444 556357239 /nfs/dbraw/zinc/35/72/39/556357239.db2.gz HCJDLFQGNUNVOS-FQEVSTJZSA-N 1 1 453.542 3.605 50 0 JHAAMO C[NH+]1CCN(C(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000019808742 556379905 /nfs/dbraw/zinc/37/99/05/556379905.db2.gz YQHYPZGDBNZORP-UHFFFAOYSA-N 1 1 490.840 3.612 50 0 JHAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)CCc2ncc(-c3ccccc3F)o2)CC1 ZINC000032915645 556539346 /nfs/dbraw/zinc/53/93/46/556539346.db2.gz OZJKRQZKQKYGEP-UHFFFAOYSA-N 1 1 450.558 3.867 50 0 JHAAMO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000032916138 556539943 /nfs/dbraw/zinc/53/99/43/556539943.db2.gz VFXGDGLUTHSHLA-NRFANRHFSA-N 1 1 487.670 3.830 50 0 JHAAMO CCc1c(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c(=O)cc(C)n1Cc1ccc(C)o1 ZINC000055226183 569591224 /nfs/dbraw/zinc/59/12/24/569591224.db2.gz ATEDLSINAMSIOA-XMMPIXPASA-N 1 1 473.617 3.984 50 0 JHAAMO COc1cccc(C[N@@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C2CCC(O)CC2)c1 ZINC000057265604 569595169 /nfs/dbraw/zinc/59/51/69/569595169.db2.gz PHZVMUUICOCMNJ-UHFFFAOYSA-N 1 1 462.537 3.761 50 0 JHAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)CCn3c4cc(C)c(C)cc4nc(C)c3=O)C[C@@H]2C)c1 ZINC000033005739 569614459 /nfs/dbraw/zinc/61/44/59/569614459.db2.gz QBZFIBWUBMIVBU-QHCPKHFHSA-N 1 1 489.664 3.737 50 0 JHAAMO COc1ccc(CN2C(=O)c3cccc(N4CC[NH+](Cc5ccccc5F)CC4)c3C2=O)cc1 ZINC000064015069 569616199 /nfs/dbraw/zinc/61/61/99/569616199.db2.gz CQSNVVKVTSSOJH-UHFFFAOYSA-N 1 1 459.521 3.953 50 0 JHAAMO CCn1c2c(C(=O)NCc3ccccc3Cl)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835890 569636578 /nfs/dbraw/zinc/63/65/78/569636578.db2.gz GOKVTKLVQQOIMW-UHFFFAOYSA-N 1 1 475.980 3.658 50 0 JHAAMO Cc1ccccc1S(=O)(=O)N(c1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccn2)CC1 ZINC000034683856 569644664 /nfs/dbraw/zinc/64/46/64/569644664.db2.gz GSROSSGWXFNDMN-UHFFFAOYSA-N 1 1 465.575 3.979 50 0 JHAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034685933 569645191 /nfs/dbraw/zinc/64/51/91/569645191.db2.gz MUJMBLUUEHMLOI-LJQANCHMSA-N 1 1 452.357 3.796 50 0 JHAAMO COc1ccccc1C(=O)N1CCc2nc(N3CC[NH+](C)CC3)nc(Oc3ccc(F)c(F)c3)c2C1 ZINC000034760248 569657687 /nfs/dbraw/zinc/65/76/87/569657687.db2.gz BMDIYCNMXLHJMM-UHFFFAOYSA-N 1 1 495.530 3.506 50 0 JHAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000034786990 569659531 /nfs/dbraw/zinc/65/95/31/569659531.db2.gz OQJQLTDKUMYRSG-VWLOTQADSA-N 1 1 451.636 3.947 50 0 JHAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000034786990 569659532 /nfs/dbraw/zinc/65/95/32/569659532.db2.gz OQJQLTDKUMYRSG-VWLOTQADSA-N 1 1 451.636 3.947 50 0 JHAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)c2ccco2)CC1 ZINC000034787977 569659936 /nfs/dbraw/zinc/65/99/36/569659936.db2.gz AUVXPQLZEHKMKW-VWLOTQADSA-N 1 1 463.603 3.972 50 0 JHAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)c2ccco2)CC1 ZINC000034787977 569659937 /nfs/dbraw/zinc/65/99/37/569659937.db2.gz AUVXPQLZEHKMKW-VWLOTQADSA-N 1 1 463.603 3.972 50 0 JHAAMO COc1ccc([C@H](C)NC(=O)C[NH+]2CCC3(CC2)NC(c2ccc(OC(F)(F)F)cc2)=NO3)cc1 ZINC000067317681 569686871 /nfs/dbraw/zinc/68/68/71/569686871.db2.gz YUXJULJJNYCRIF-INIZCTEOSA-N 1 1 492.498 3.545 50 0 JHAAMO Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCC[N@H+]4CCc5ccccc5C4)C3)nn2)cc1 ZINC000035398140 569688824 /nfs/dbraw/zinc/68/88/24/569688824.db2.gz LYDNODXNBPAXHH-VWLOTQADSA-N 1 1 455.606 3.843 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1Cc1ccccc1 ZINC000035561398 569704400 /nfs/dbraw/zinc/70/44/00/569704400.db2.gz HCSCUCPNPQFJPK-NRFANRHFSA-N 1 1 496.677 3.934 50 0 JHAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C12CCCCC2 ZINC000085875056 569715751 /nfs/dbraw/zinc/71/57/51/569715751.db2.gz INOVFWMWUAKSFU-GPUOULLFSA-N 1 1 467.654 3.956 50 0 biogenic JHAAMO CC[N@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1 ZINC000035877110 569719791 /nfs/dbraw/zinc/71/97/91/569719791.db2.gz MEKLBGGNMFECRK-SQJMNOBHSA-N 1 1 466.969 3.554 50 0 JHAAMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1Cl ZINC000095947235 569731120 /nfs/dbraw/zinc/73/11/20/569731120.db2.gz ZFHFXSKMMNJPBL-REWPJTCUSA-N 1 1 455.986 3.899 50 0 JHAAMO COc1ccc(S(=O)(=O)N2CCN(c3cc(Nc4ccc(C)cc4)[nH+]c(C)n3)CC2)cc1C ZINC000096646352 569742720 /nfs/dbraw/zinc/74/27/20/569742720.db2.gz IINJAILKBXHFTJ-UHFFFAOYSA-N 1 1 467.595 3.665 50 0 JHAAMO COCCN(Cc1c(-c2ccccc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccccc1F ZINC000036313463 569760885 /nfs/dbraw/zinc/76/08/85/569760885.db2.gz CIUXGBAIXPMIFQ-UHFFFAOYSA-N 1 1 452.530 3.521 50 0 JHAAMO Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2cccc(F)c2)CC1 ZINC000036340174 569763720 /nfs/dbraw/zinc/76/37/20/569763720.db2.gz BXKYTBJWQKZVTD-XMMPIXPASA-N 1 1 464.585 3.694 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3F)C[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000036341834 569764891 /nfs/dbraw/zinc/76/48/91/569764891.db2.gz PZWCFFWQOUZAAI-AVRDEDQJSA-N 1 1 481.524 3.507 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3F)C[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000036341834 569764892 /nfs/dbraw/zinc/76/48/92/569764892.db2.gz PZWCFFWQOUZAAI-AVRDEDQJSA-N 1 1 481.524 3.507 50 0 JHAAMO COc1cccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036342277 569765617 /nfs/dbraw/zinc/76/56/17/569765617.db2.gz AGXIRJILKNRUJN-HSZRJFAPSA-N 1 1 469.969 3.865 50 0 JHAAMO COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c(OC)c1 ZINC000036342603 569765946 /nfs/dbraw/zinc/76/59/46/569765946.db2.gz KLEDXCMGTRBJCG-HSZRJFAPSA-N 1 1 499.995 3.874 50 0 JHAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@H](c3ccccc3F)C2)c(C)c1 ZINC000036343032 569766216 /nfs/dbraw/zinc/76/62/16/569766216.db2.gz VAABCDHPIFCBFB-DEOSSOPVSA-N 1 1 451.542 3.959 50 0 JHAAMO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@@H](c3ccccc3F)C2)c1 ZINC000036343041 569766223 /nfs/dbraw/zinc/76/62/23/569766223.db2.gz IEDBXHRZYUQDFK-XMMPIXPASA-N 1 1 451.542 3.959 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccccc2C)C1 ZINC000036344935 569767416 /nfs/dbraw/zinc/76/74/16/569767416.db2.gz RGLLQHAESOKANV-NLFFAJNJSA-N 1 1 493.604 3.965 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccccc2C)C1 ZINC000036344935 569767417 /nfs/dbraw/zinc/76/74/17/569767417.db2.gz RGLLQHAESOKANV-NLFFAJNJSA-N 1 1 493.604 3.965 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2cccc(OC)c2)C1 ZINC000036345643 569768070 /nfs/dbraw/zinc/76/80/70/569768070.db2.gz VHZDEIWLNUOFRQ-RDGATRHJSA-N 1 1 463.578 3.956 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2cccc(OC)c2)C1 ZINC000036345643 569768071 /nfs/dbraw/zinc/76/80/71/569768071.db2.gz VHZDEIWLNUOFRQ-RDGATRHJSA-N 1 1 463.578 3.956 50 0 JHAAMO COc1cc2c(cc1OC)CN(Cc1coc(=O)c(C[N@H+]3CC[C@H](c4ccccc4)C3)c1[O-])CC2 ZINC000101410573 569796956 /nfs/dbraw/zinc/79/69/56/569796956.db2.gz BDOYTXBPSGUHRT-NRFANRHFSA-N 1 1 476.573 3.910 50 0 JHAAMO COc1cc2c(cc1OC)C[N@H+](Cc1coc(=O)c(C[NH+]3CC[C@H](c4ccccc4)C3)c1[O-])CC2 ZINC000101410573 569796958 /nfs/dbraw/zinc/79/69/58/569796958.db2.gz BDOYTXBPSGUHRT-NRFANRHFSA-N 1 1 476.573 3.910 50 0 JHAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1coc(=O)c(C[NH+]3CC[C@H](c4ccccc4)C3)c1[O-])CC2 ZINC000101410573 569796960 /nfs/dbraw/zinc/79/69/60/569796960.db2.gz BDOYTXBPSGUHRT-NRFANRHFSA-N 1 1 476.573 3.910 50 0 JHAAMO COc1cc2c(cc1OC)C[NH+](Cc1coc(=O)c(C[N@@H+]3CC[C@H](c4ccccc4)C3)c1[O-])CC2 ZINC000101410573 569796961 /nfs/dbraw/zinc/79/69/61/569796961.db2.gz BDOYTXBPSGUHRT-NRFANRHFSA-N 1 1 476.573 3.910 50 0 JHAAMO COc1cc2c(cc1OC)C[NH+](Cc1coc(=O)c(C[N@H+]3CC[C@H](c4ccccc4)C3)c1[O-])CC2 ZINC000101410573 569796963 /nfs/dbraw/zinc/79/69/63/569796963.db2.gz BDOYTXBPSGUHRT-NRFANRHFSA-N 1 1 476.573 3.910 50 0 JHAAMO COc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc4sc(C)nc4c3)CC2)cc1OC ZINC000038581051 569805413 /nfs/dbraw/zinc/80/54/13/569805413.db2.gz BXKNBPYELUXNEH-UHFFFAOYSA-N 1 1 468.579 3.911 50 0 JHAAMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)NCc4ccc(C)c(F)c4)CC3)n2)cc1 ZINC000040123038 569816998 /nfs/dbraw/zinc/81/69/98/569816998.db2.gz AEFUWFLPWFZZJX-UHFFFAOYSA-N 1 1 451.546 3.953 50 0 JHAAMO O=C(C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000040135391 569817457 /nfs/dbraw/zinc/81/74/57/569817457.db2.gz NXRFDZUIUKDMID-HXUWFJFHSA-N 1 1 466.607 3.771 50 0 JHAAMO O=C(C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000040135391 569817458 /nfs/dbraw/zinc/81/74/58/569817458.db2.gz NXRFDZUIUKDMID-HXUWFJFHSA-N 1 1 466.607 3.771 50 0 JHAAMO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000040149205 569818647 /nfs/dbraw/zinc/81/86/47/569818647.db2.gz ZDFCQIHQTGCVNK-LBPRGKRZSA-N 1 1 465.735 3.714 50 0 JHAAMO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000040149205 569818648 /nfs/dbraw/zinc/81/86/48/569818648.db2.gz ZDFCQIHQTGCVNK-LBPRGKRZSA-N 1 1 465.735 3.714 50 0 JHAAMO CC(C)(C)c1ccc(CCC(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000040156828 569821249 /nfs/dbraw/zinc/82/12/49/569821249.db2.gz UCHPUWUOMANRMR-UHFFFAOYSA-N 1 1 451.611 3.894 50 0 JHAAMO CCC1=C(C(=O)OC)[C@H](c2cccc(OC)c2)N2C(CC(=O)NCC[C@@H]3CCC[N@H+]3C)=CSC2=N1 ZINC000102763888 569822619 /nfs/dbraw/zinc/82/26/19/569822619.db2.gz VITMDNMPTJWPJD-UUOWRZLLSA-N 1 1 498.649 3.824 50 0 JHAAMO CCC1=C(C(=O)OC)[C@H](c2cc(C)ccc2C)N2C(CC(=O)N3CC[NH+](CC)CC3)=CSC2=N1 ZINC000102936627 569829234 /nfs/dbraw/zinc/82/92/34/569829234.db2.gz FQKXQLNPDANNGM-DEOSSOPVSA-N 1 1 482.650 3.996 50 0 JHAAMO CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103296925 569834470 /nfs/dbraw/zinc/83/44/70/569834470.db2.gz CKPFOFHEOXYLRG-JOCHJYFZSA-N 1 1 468.623 3.767 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000105003998 569849342 /nfs/dbraw/zinc/84/93/42/569849342.db2.gz IDJVGAWZGBXTDF-NZQKXSOJSA-N 1 1 478.630 3.890 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccc(OC)cc2)C1 ZINC000105008521 569850171 /nfs/dbraw/zinc/85/01/71/569850171.db2.gz UHUBPDDJXPSNHE-SQJMNOBHSA-N 1 1 479.577 3.657 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccc(OC)cc2)C1 ZINC000105008521 569850172 /nfs/dbraw/zinc/85/01/72/569850172.db2.gz UHUBPDDJXPSNHE-SQJMNOBHSA-N 1 1 479.577 3.657 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)cc1 ZINC000106378264 569854144 /nfs/dbraw/zinc/85/41/44/569854144.db2.gz MIESAWWGTXONOP-RLWLMLJZSA-N 1 1 488.632 3.832 50 0 JHAAMO CC[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H](CC)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000106409179 569854212 /nfs/dbraw/zinc/85/42/12/569854212.db2.gz AAADDBJELVCHDF-REWPJTCUSA-N 1 1 459.594 3.866 50 0 JHAAMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccccc3C[N@H+]3CCCC[C@@H]3C)c2)C[C@@H](C)O1 ZINC000106749012 569855511 /nfs/dbraw/zinc/85/55/11/569855511.db2.gz ODSQAJJGJCYUEA-BHDDXSALSA-N 1 1 499.677 3.789 50 0 JHAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1)C[C@@H](O)COC ZINC000169679501 569869834 /nfs/dbraw/zinc/86/98/34/569869834.db2.gz ICXXKBPLVGQWJA-XMMPIXPASA-N 1 1 465.594 3.750 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229901749 570042002 /nfs/dbraw/zinc/04/20/02/570042002.db2.gz DUZBSLXGTCZLDT-VXCZRNDOSA-N 1 1 493.844 3.929 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229901749 570042004 /nfs/dbraw/zinc/04/20/04/570042004.db2.gz DUZBSLXGTCZLDT-VXCZRNDOSA-N 1 1 493.844 3.929 50 0 JHAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccccc1F ZINC000230071295 570044417 /nfs/dbraw/zinc/04/44/17/570044417.db2.gz JLVZUIGSUBGHGT-RPBOFIJWSA-N 1 1 485.600 3.992 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000245238743 570057664 /nfs/dbraw/zinc/05/76/64/570057664.db2.gz ALYIXBQRRAZMKM-LEWJYISDSA-N 1 1 455.603 3.732 50 0 JHAAMO CC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)CC1CC1 ZINC000245279548 570061591 /nfs/dbraw/zinc/06/15/91/570061591.db2.gz HVTACURRZDTDQP-WMZHIEFXSA-N 1 1 458.624 3.744 50 0 JHAAMO CC(C)OC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)C ZINC000245328717 570065973 /nfs/dbraw/zinc/06/59/73/570065973.db2.gz OTQOSJTWWMLCFU-NFBKMPQASA-N 1 1 478.630 3.888 50 0 JHAAMO O[C@@H](Cc1ccccc1)C[N@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000247747075 570069144 /nfs/dbraw/zinc/06/91/44/570069144.db2.gz SCIPOAUJWXGNCN-LOSJGSFVSA-N 1 1 495.595 3.902 50 0 JHAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000249691156 570078516 /nfs/dbraw/zinc/07/85/16/570078516.db2.gz LFDIDPHFTVIRKW-QHYAIYAISA-N 1 1 470.356 3.839 50 0 JHAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CN1C(=O)c2ccccc2N[C@@H]1c1ccccc1 ZINC000263585815 570171344 /nfs/dbraw/zinc/17/13/44/570171344.db2.gz MXFAQWDCQANSAX-AQHOXQCLSA-N 1 1 490.648 3.993 50 0 biogenic JHAAMO CCC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2cccc(C)c2)cn3CC)CC1 ZINC000009435547 194782398 /nfs/dbraw/zinc/78/23/98/194782398.db2.gz ISZFEIRRHMGDIS-UHFFFAOYSA-N 1 1 471.598 3.834 50 0 JHAAMO CSc1ccc(CN(C)C(=O)C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012791397 195132151 /nfs/dbraw/zinc/13/21/51/195132151.db2.gz BWPOUQVRUXUCAV-UHFFFAOYSA-N 1 1 454.592 3.733 50 0 JHAAMO C[N@@H+](CCCNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)Cc1ccccc1 ZINC000012875089 195165706 /nfs/dbraw/zinc/16/57/06/195165706.db2.gz SFSKSFHFIMOXMP-UHFFFAOYSA-N 1 1 470.422 3.686 50 0 JHAAMO O=C(CN1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000020961838 195257457 /nfs/dbraw/zinc/25/74/57/195257457.db2.gz PJCZRYDFDLOMIP-UHFFFAOYSA-N 1 1 459.472 3.527 50 0 JHAAMO COc1cc(Nc2ncc3c(n2)CC[N@@H+](Cc2cc(OC)c(OC)cc2OC)C3)cc(OC)c1 ZINC000021038786 195270227 /nfs/dbraw/zinc/27/02/27/195270227.db2.gz POXGWDYQRVLLIF-UHFFFAOYSA-N 1 1 466.538 3.822 50 0 JHAAMO COc1cc(Nc2ncc3c(n2)CC[N@H+](Cc2cc(OC)c(OC)cc2OC)C3)cc(OC)c1 ZINC000021038786 195270231 /nfs/dbraw/zinc/27/02/31/195270231.db2.gz POXGWDYQRVLLIF-UHFFFAOYSA-N 1 1 466.538 3.822 50 0 JHAAMO CC(=O)N1CCCSc2ccc(S(=O)(=O)N3CCC[C@@H](C[N@H+]4CCc5ccccc5C4)C3)cc21 ZINC000021154557 195284606 /nfs/dbraw/zinc/28/46/06/195284606.db2.gz JGPHZZNWBZGRPO-NRFANRHFSA-N 1 1 499.702 3.994 50 0 JHAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)C[C@H](C)O1 ZINC000021526658 195305141 /nfs/dbraw/zinc/30/51/41/195305141.db2.gz SASNXVVVXGGVPU-VWPQPMDRSA-N 1 1 451.611 3.696 50 0 JHAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)C[C@H](C)O1 ZINC000021526658 195305142 /nfs/dbraw/zinc/30/51/42/195305142.db2.gz SASNXVVVXGGVPU-VWPQPMDRSA-N 1 1 451.611 3.696 50 0 JHAAMO O=S(=O)(c1ccc(OCC[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)cc1)N1CCOCC1 ZINC000057992443 195361079 /nfs/dbraw/zinc/36/10/79/195361079.db2.gz XAFJUNARZBJGPD-VWLOTQADSA-N 1 1 456.608 3.628 50 0 JHAAMO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1I ZINC000057996002 195361616 /nfs/dbraw/zinc/36/16/16/195361616.db2.gz OTXVGUFKBDNUNS-UHFFFAOYSA-N 1 1 477.390 3.619 50 0 JHAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000058160786 195368903 /nfs/dbraw/zinc/36/89/03/195368903.db2.gz YSMBZHCRNYPMHX-CJFMBICVSA-N 1 1 451.523 3.766 50 0 JHAAMO COc1ccc([C@H]2CCCCC[N@H+]2CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000058160786 195368904 /nfs/dbraw/zinc/36/89/04/195368904.db2.gz YSMBZHCRNYPMHX-CJFMBICVSA-N 1 1 451.523 3.766 50 0 JHAAMO COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000058304581 195376354 /nfs/dbraw/zinc/37/63/54/195376354.db2.gz MOYSISBQPRVCNV-SFHVURJKSA-N 1 1 466.003 3.752 50 0 JHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C[S@](=O)Cc1nc(-c2ccc(OC)c(OC)c2)oc1C ZINC000102801051 130310146 /nfs/dbraw/zinc/31/01/46/130310146.db2.gz VBJFEHIABHLBAK-TYHYVREOSA-N 1 1 491.654 3.687 50 0 JHAAMO CC(C)Cc1cc(C[NH+]2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)[nH]n1 ZINC000012317506 519431935 /nfs/dbraw/zinc/43/19/35/519431935.db2.gz IPKJFVPSDKJWIS-UHFFFAOYSA-N 1 1 450.543 3.623 50 0 JHAAMO CC(C)[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H](O)COCc1ccco1 ZINC000036150923 519653357 /nfs/dbraw/zinc/65/33/57/519653357.db2.gz GVZWTJOMIGTLKF-OAQYLSRUSA-N 1 1 455.555 3.559 50 0 JHAAMO CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000021650494 519702010 /nfs/dbraw/zinc/70/20/10/519702010.db2.gz NANRMGFZKOYEKJ-HXUWFJFHSA-N 1 1 480.657 3.594 50 0 JHAAMO CC(C)OC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)CC1CC1 ZINC000036309200 519771601 /nfs/dbraw/zinc/77/16/01/519771601.db2.gz YNLHMMLJEMIRJG-REWPJTCUSA-N 1 1 490.641 3.890 50 0 JHAAMO CC(C)c1ccc(OC[C@@H](O)CN2CC[NH+](C[C@H](O)COc3ccc(C(C)C)cc3)CC2)cc1 ZINC000022916941 519838221 /nfs/dbraw/zinc/83/82/21/519838221.db2.gz NVIRMVZXDGZJGX-UIOOFZCWSA-N 1 1 470.654 3.731 50 0 JHAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@H](O)COC(C)C ZINC000036309934 520317241 /nfs/dbraw/zinc/31/72/41/520317241.db2.gz IAPHRFVREFQWFG-UNMCSNQZSA-N 1 1 460.640 3.669 50 0 JHAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](O)COC(C)C ZINC000036309375 520317954 /nfs/dbraw/zinc/31/79/54/520317954.db2.gz SOIGPWWEAMUFPE-GMAHTHKFSA-N 1 1 474.667 3.978 50 0 JHAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](O)COC(C)C ZINC000036309376 520318447 /nfs/dbraw/zinc/31/84/47/520318447.db2.gz SOIGPWWEAMUFPE-GGAORHGYSA-N 1 1 474.667 3.978 50 0 JHAAMO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000036092199 520518393 /nfs/dbraw/zinc/51/83/93/520518393.db2.gz CGQJXNSKAZSNKG-CYFREDJKSA-N 1 1 479.577 3.673 50 0 JHAAMO CCOC(=O)C1=C(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000036092199 520518402 /nfs/dbraw/zinc/51/84/02/520518402.db2.gz CGQJXNSKAZSNKG-CYFREDJKSA-N 1 1 479.577 3.673 50 0 JHAAMO CCOc1ccc(NC(=O)N2CC[NH+](CCn3c(-c4ccncc4)nc4cccnc43)CC2)cc1 ZINC000033139784 521088466 /nfs/dbraw/zinc/08/84/66/521088466.db2.gz PFBRGUOHOSOBGG-UHFFFAOYSA-N 1 1 471.565 3.742 50 0 JHAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc3c(c1)CCC3)CC[N@H+](Cc1ccccc1)C2 ZINC000035457213 521538593 /nfs/dbraw/zinc/53/85/93/521538593.db2.gz FPLYXKRSXWHTMR-UHFFFAOYSA-N 1 1 456.590 3.882 50 0 JHAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc3c(c1)CCC3)CC[N@@H+](Cc1ccccc1)C2 ZINC000035457213 521538602 /nfs/dbraw/zinc/53/86/02/521538602.db2.gz FPLYXKRSXWHTMR-UHFFFAOYSA-N 1 1 456.590 3.882 50 0 JHAAMO CCOC(=O)c1cnn(-c2ccc(C)cc2)c1CN1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000012245358 521578607 /nfs/dbraw/zinc/57/86/07/521578607.db2.gz QCOCNDIJMYZSOO-OAQYLSRUSA-N 1 1 482.625 3.597 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccc3ccnc(N4CCN(c5ccc(Cl)cc5)CC4)c3c2)CC1 ZINC000065002144 521670693 /nfs/dbraw/zinc/67/06/93/521670693.db2.gz MRVJOBGOULTZQA-UHFFFAOYSA-N 1 1 464.013 3.993 50 0 JHAAMO CCN1CC[NH+](CCCNC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccc(C)cc32)CC1 ZINC000033106400 521681448 /nfs/dbraw/zinc/68/14/48/521681448.db2.gz RYHHSAJJEQUOMN-UHFFFAOYSA-N 1 1 473.621 3.926 50 0 JHAAMO COCCn1c(C)cc(O)c([C@H](c2ccc(OC)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697587 522063882 /nfs/dbraw/zinc/06/38/82/522063882.db2.gz QLZHQGQQFTVIJL-SANMLTNESA-N 1 1 481.568 3.568 50 0 JHAAMO COCCn1c(C)cc(O)c([C@H](c2ccccc2OC)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022697618 522064486 /nfs/dbraw/zinc/06/44/86/522064486.db2.gz JAORGDXSRPHRQH-SANMLTNESA-N 1 1 481.568 3.568 50 0 JHAAMO C[N@@H+](CCNC(=O)c1ccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)cc1)Cc1ccccc1 ZINC000035459236 522862114 /nfs/dbraw/zinc/86/21/14/522862114.db2.gz WXFQRBGMRJUAJY-HHHXNRCGSA-N 1 1 496.611 3.700 50 0 JHAAMO COc1cc(OC)cc([C@@H]2[C@@H](Oc3cc(C)ccc3C)C(=O)N2CCCC[NH+]2CCOCC2)c1 ZINC000048237029 522881653 /nfs/dbraw/zinc/88/16/53/522881653.db2.gz OSAZOKCTJUPATA-CLJLJLNGSA-N 1 1 468.594 3.764 50 0 JHAAMO COc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000012507855 523692369 /nfs/dbraw/zinc/69/23/69/523692369.db2.gz OZVUNXKKQOZEME-UHFFFAOYSA-N 1 1 459.612 3.799 50 0 JHAAMO C[N@H+]1CCCN(C(=O)c2nc3sccn3c2CN2CCC(Cc3ccccc3)CC2)CC1 ZINC000012306198 523808462 /nfs/dbraw/zinc/80/84/62/523808462.db2.gz GMJUQNMCMMQHDG-UHFFFAOYSA-N 1 1 451.640 3.628 50 0 JHAAMO CNC(=O)C[NH+]1CCC(Oc2cc3c(cc2OC)ncnc3Nc2cccc(Cl)c2F)CC1 ZINC000034587071 524072254 /nfs/dbraw/zinc/07/22/54/524072254.db2.gz DFJSJLGUIXFDJP-UHFFFAOYSA-N 1 1 473.936 3.764 50 0 investigational JHAAMO Cc1ccc(N2C(=O)C[C@H](N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)C2=O)cc1Cl ZINC000022807635 524922844 /nfs/dbraw/zinc/92/28/44/524922844.db2.gz NAPXVNPZSRLNAS-NRFANRHFSA-N 1 1 462.377 3.630 50 0 JHAAMO COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2cccc(OC)c2)cc1 ZINC000036098475 524970049 /nfs/dbraw/zinc/97/00/49/524970049.db2.gz RPFLGFFQCPZQDM-OAQYLSRUSA-N 1 1 451.519 3.875 50 0 JHAAMO C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1 ZINC000035485285 525166567 /nfs/dbraw/zinc/16/65/67/525166567.db2.gz KQYNNEFXSOOTEY-DOYMOWJKSA-N 1 1 466.585 3.787 50 0 biogenic JHAAMO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)cc2)cc1 ZINC000022444540 525297961 /nfs/dbraw/zinc/29/79/61/525297961.db2.gz CHNXCOUDQCKSLX-UHFFFAOYSA-N 1 1 471.623 3.561 50 0 JHAAMO COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000036342291 525406631 /nfs/dbraw/zinc/40/66/31/525406631.db2.gz QHSJKBIPJNBLDW-HSZRJFAPSA-N 1 1 469.969 3.865 50 0 JHAAMO COc1cccc(C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]2CC(c3ccc4c(c3)OCO4)=NO2)c1 ZINC000036146516 525920105 /nfs/dbraw/zinc/92/01/05/525920105.db2.gz FFABLSSPUXMNPR-IRLDBZIGSA-N 1 1 470.566 3.595 50 0 JHAAMO Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000020417029 525992102 /nfs/dbraw/zinc/99/21/02/525992102.db2.gz YFQWNBCNECANOU-FQEVSTJZSA-N 1 1 463.626 3.965 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000033131366 526248262 /nfs/dbraw/zinc/24/82/62/526248262.db2.gz UROBYJYRGDRKOT-SFHVURJKSA-N 1 1 456.052 3.899 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-c2nc(CCN(C)C(=O)c3ccccc3F)no2)cc1 ZINC000033273574 526249861 /nfs/dbraw/zinc/24/98/61/526249861.db2.gz PPWYFMOZFZRNKM-IBGZPJMESA-N 1 1 493.583 3.795 50 0 JHAAMO O=C([C@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035482955 526538820 /nfs/dbraw/zinc/53/88/20/526538820.db2.gz BEBHNTPRWXFJDZ-QHCPKHFHSA-N 1 1 459.569 3.844 50 0 JHAAMO O=C(Nc1cccc(Cl)c1)N1CC[NH+](CCn2c(-c3ccncc3)nc3cccnc32)CC1 ZINC000033139765 527340744 /nfs/dbraw/zinc/34/07/44/527340744.db2.gz DIKIGOGVDLHCKT-UHFFFAOYSA-N 1 1 461.957 3.996 50 0 JHAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002212698 554096123 /nfs/dbraw/zinc/09/61/23/554096123.db2.gz YWNYZYIBJDIZLN-KYALDGGBSA-N 1 1 451.526 3.888 50 0 JHAAMO COc1ccc(OC)c(NC(=O)c2c(NC(=O)C[NH2+]Cc3ccco3)sc3c2CCC3)c1 ZINC000006552866 554551444 /nfs/dbraw/zinc/55/14/44/554551444.db2.gz HFLPYINSTNSLOA-UHFFFAOYSA-N 1 1 455.536 3.828 50 0 JHAAMO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(=O)C(C)(C)C ZINC000008738723 554640396 /nfs/dbraw/zinc/64/03/96/554640396.db2.gz KRFDNMSIZGUOFU-CBPXPLCBSA-N 1 1 458.514 3.604 50 0 JHAAMO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(=O)C(C)(C)C ZINC000008738723 554640397 /nfs/dbraw/zinc/64/03/97/554640397.db2.gz KRFDNMSIZGUOFU-CBPXPLCBSA-N 1 1 458.514 3.604 50 0 JHAAMO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008750001 554652394 /nfs/dbraw/zinc/65/23/94/554652394.db2.gz SFTNJSGBTURWRS-NRFANRHFSA-N 1 1 484.666 3.574 50 0 JHAAMO CC(C)[N@@H+](CCNC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1)Cc1ccccc1 ZINC000008813555 554695952 /nfs/dbraw/zinc/69/59/52/554695952.db2.gz NSKAQMOXMKHXBX-UHFFFAOYSA-N 1 1 471.667 3.798 50 0 JHAAMO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)Cn3cccc3C(=O)c3ccccc3C)CC2)c1 ZINC000008913777 554806836 /nfs/dbraw/zinc/80/68/36/554806836.db2.gz BGGROKMTIRYLKN-UHFFFAOYSA-N 1 1 472.633 3.973 50 0 JHAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1I ZINC000009065413 554885206 /nfs/dbraw/zinc/88/52/06/554885206.db2.gz RIQSXBYCXPACGX-HNNXBMFYSA-N 1 1 455.321 3.778 50 0 JHAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1I ZINC000009065413 554885209 /nfs/dbraw/zinc/88/52/09/554885209.db2.gz RIQSXBYCXPACGX-HNNXBMFYSA-N 1 1 455.321 3.778 50 0 JHAAMO COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000009268890 555044261 /nfs/dbraw/zinc/04/42/61/555044261.db2.gz NSJDFOCVBPRUEB-UHFFFAOYSA-N 1 1 459.568 3.975 50 0 JHAAMO CCOc1ccc(-n2nc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3c2=O)cc1 ZINC000009543666 555335009 /nfs/dbraw/zinc/33/50/09/555335009.db2.gz NOTNKFVAJMPFSG-BGYRXZFFSA-N 1 1 462.594 3.882 50 0 JHAAMO CCOC(=O)c1ccc(NC(=O)[C@H](CC)[NH+]2CCC(C(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000013353695 555381942 /nfs/dbraw/zinc/38/19/42/555381942.db2.gz BIHPRYJTJDCLPS-YYDVJCTNSA-N 1 1 457.615 3.797 50 0 JHAAMO CC[N@@H+](CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1)Cc1ccccc1 ZINC000009676812 555401346 /nfs/dbraw/zinc/40/13/46/555401346.db2.gz CEYHXFUXACKWNJ-UHFFFAOYSA-N 1 1 455.624 3.566 50 0 JHAAMO CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)CC)c2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000009707741 555431420 /nfs/dbraw/zinc/43/14/20/555431420.db2.gz JZFCGYSHPUKJLX-UHFFFAOYSA-N 1 1 464.609 3.737 50 0 JHAAMO CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)CC)c2)sc2c1CC[N@H+](C(C)C)C2 ZINC000009707741 555431422 /nfs/dbraw/zinc/43/14/22/555431422.db2.gz JZFCGYSHPUKJLX-UHFFFAOYSA-N 1 1 464.609 3.737 50 0 JHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)C[C@@]2(c3ccccc3F)CC(=O)N(C3CCCC3)C2=O)CC1 ZINC000019838531 555507582 /nfs/dbraw/zinc/50/75/82/555507582.db2.gz VQNVFBGKGVQKHK-LJAQVGFWSA-N 1 1 491.607 3.808 50 0 JHAAMO COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]3CCC[N@@H+]3[C@]23C(=O)Nc2c3cc(C)cc2Cl)c1 ZINC000013592095 555526791 /nfs/dbraw/zinc/52/67/91/555526791.db2.gz KIQVEZYPBQPHPC-SIJXKNKUSA-N 1 1 455.942 3.936 50 0 JHAAMO COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]3CCC[N@H+]3[C@]23C(=O)Nc2c3cc(C)cc2Cl)c1 ZINC000013592095 555526792 /nfs/dbraw/zinc/52/67/92/555526792.db2.gz KIQVEZYPBQPHPC-SIJXKNKUSA-N 1 1 455.942 3.936 50 0 JHAAMO Cc1cc2oc(=O)c(CC(=O)N3CC[NH+](CCO)CC3)c(C)c2c2occ(-c3ccccc3)c21 ZINC000013629870 555541093 /nfs/dbraw/zinc/54/10/93/555541093.db2.gz CZICWWKAFSZNNV-UHFFFAOYSA-N 1 1 460.530 3.502 50 0 JHAAMO C[NH+]1CCN(C(=O)[C@H]2CCCN(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)C2)CC1 ZINC000019943968 555562258 /nfs/dbraw/zinc/56/22/58/555562258.db2.gz FKICQARVKABKHW-IBGZPJMESA-N 1 1 464.997 3.839 50 0 JHAAMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)C2)CC1 ZINC000019943965 555562366 /nfs/dbraw/zinc/56/23/66/555562366.db2.gz FKICQARVKABKHW-LJQANCHMSA-N 1 1 464.997 3.839 50 0 JHAAMO C[NH+](C)C[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1)c1ccccc1 ZINC000010025566 555599272 /nfs/dbraw/zinc/59/92/72/555599272.db2.gz YZDORMYIGKWCLV-QHCPKHFHSA-N 1 1 495.601 3.681 50 0 JHAAMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1)c1ccccc1 ZINC000010025570 555599303 /nfs/dbraw/zinc/59/93/03/555599303.db2.gz YZDORMYIGKWCLV-HSZRJFAPSA-N 1 1 495.601 3.681 50 0 JHAAMO Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1C ZINC000010225463 555655051 /nfs/dbraw/zinc/65/50/51/555655051.db2.gz UTUOVPAICXQTRS-UHFFFAOYSA-N 1 1 468.623 3.853 50 0 JHAAMO COc1ccc(N2C[C@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)CC2=O)cc1 ZINC000020123542 555655474 /nfs/dbraw/zinc/65/54/74/555655474.db2.gz GUESSPQBNSDIRW-XMMPIXPASA-N 1 1 469.585 3.982 50 0 JHAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)NC(c1ccccc1)c1ccccc1 ZINC000014022849 555673933 /nfs/dbraw/zinc/67/39/33/555673933.db2.gz UQRLMIYVLGQOQQ-UHFFFAOYSA-N 1 1 471.557 3.972 50 0 JHAAMO O=S(=O)(c1cccc(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1)N1CCOCC1 ZINC000014129156 555698575 /nfs/dbraw/zinc/69/85/75/555698575.db2.gz IYEIVXQMTGKMSF-IBGZPJMESA-N 1 1 457.621 3.697 50 0 JHAAMO Cc1cc(=O)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1-c1ccccc1C(F)(F)F ZINC000014142214 555707663 /nfs/dbraw/zinc/70/76/63/555707663.db2.gz KBAUCTJRZDWLOX-SFHVURJKSA-N 1 1 456.468 3.564 50 0 JHAAMO Cc1cc(=O)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1-c1ccccc1C(F)(F)F ZINC000014142214 555707665 /nfs/dbraw/zinc/70/76/65/555707665.db2.gz KBAUCTJRZDWLOX-SFHVURJKSA-N 1 1 456.468 3.564 50 0 JHAAMO Cc1c(C(=O)N2CCC([NH+]3CCOCC3)CC2)sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12 ZINC000020255832 555743822 /nfs/dbraw/zinc/74/38/22/555743822.db2.gz MZYIPUAACLZYDZ-CEXWTWQISA-N 1 1 467.639 3.561 50 0 JHAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)[C@H]1c1cccs1 ZINC000020508229 555792121 /nfs/dbraw/zinc/79/21/21/555792121.db2.gz UMYKXZQDBKPUNF-VEXUSMLFSA-N 1 1 469.651 3.913 50 0 JHAAMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(NC3CCCCC3)cc(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000014535965 555825004 /nfs/dbraw/zinc/82/50/04/555825004.db2.gz MKZFLBGCZTYDIB-SFHVURJKSA-N 1 1 464.676 3.580 50 0 JHAAMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cc(NC(=O)COC)cc3ncn(CCc4ccccc4)c32)C1 ZINC000011790514 555826255 /nfs/dbraw/zinc/82/62/55/555826255.db2.gz QDWBIWAGSGGHMP-QFIPXVFZSA-N 1 1 491.636 3.668 50 0 JHAAMO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccc(OC)cc3F)CC2)c(Cl)c1 ZINC000011814429 555829526 /nfs/dbraw/zinc/82/95/26/555829526.db2.gz PYOVBRBGRIBIJN-UHFFFAOYSA-N 1 1 450.938 3.907 50 0 JHAAMO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000011945294 555869991 /nfs/dbraw/zinc/86/99/91/555869991.db2.gz SGWSYDXQVSAJPE-UHFFFAOYSA-N 1 1 450.938 3.907 50 0 JHAAMO COc1ccc(-c2cc(C[NH2+]CC3=NO[C@H](Cc4cc(OC)c5c(c4OC)OCO5)C3)on2)cc1 ZINC000015081374 555873015 /nfs/dbraw/zinc/87/30/15/555873015.db2.gz JRGLEKCRPGQTFC-LJQANCHMSA-N 1 1 481.505 3.573 50 0 JHAAMO O=C(c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1)N1CCC([N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000011973806 555874997 /nfs/dbraw/zinc/87/49/97/555874997.db2.gz UGIIBOOIEJFXNI-GOSISDBHSA-N 1 1 492.649 3.577 50 0 JHAAMO COc1ccc(CC[N@@H+](C)CCNC(=O)c2oc3c(ccc(OC)c3OC)c2C)cc1OC ZINC000015636018 555920605 /nfs/dbraw/zinc/92/06/05/555920605.db2.gz YDOLMLMZPWAODL-UHFFFAOYSA-N 1 1 456.539 3.680 50 0 JHAAMO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1nc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000022876838 555963269 /nfs/dbraw/zinc/96/32/69/555963269.db2.gz WBTWWLSFKIPGAZ-RYUDHWBXSA-N 1 1 481.548 3.876 50 0 JHAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)NCCc4cccc(C)c4)C3)n2)cc1OC ZINC000015726151 555963576 /nfs/dbraw/zinc/96/35/76/555963576.db2.gz DEKRAYTZYOMCFC-NRFANRHFSA-N 1 1 464.566 3.633 50 0 JHAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)NCCc4cccc(C)c4)C3)n2)cc1OC ZINC000015726151 555963579 /nfs/dbraw/zinc/96/35/79/555963579.db2.gz DEKRAYTZYOMCFC-NRFANRHFSA-N 1 1 464.566 3.633 50 0 JHAAMO Cc1ccc(NC(=O)CN2CC[NH+](C[C@@H](O)COC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022933406 555985981 /nfs/dbraw/zinc/98/59/81/555985981.db2.gz ZMBGPTIHAIPPON-HHHXNRCGSA-N 1 1 473.617 3.718 50 0 JHAAMO C[NH+](C)[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1Cl ZINC000015787823 556006757 /nfs/dbraw/zinc/00/67/57/556006757.db2.gz BEPUBYGHSNVVNF-QFIPXVFZSA-N 1 1 459.999 3.581 50 0 JHAAMO CCOC(=O)c1c(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000015823432 556011720 /nfs/dbraw/zinc/01/17/20/556011720.db2.gz GARDAKLEGRHEIE-UHFFFAOYSA-N 1 1 469.563 3.597 50 0 JHAAMO CCOC(=O)c1c(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000015823432 556011721 /nfs/dbraw/zinc/01/17/21/556011721.db2.gz GARDAKLEGRHEIE-UHFFFAOYSA-N 1 1 469.563 3.597 50 0 JHAAMO Cc1ccccc1-c1ccc(C[N@@H+]2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1 ZINC000023129610 556018874 /nfs/dbraw/zinc/01/88/74/556018874.db2.gz SWMLQYHGGIIWCU-UHFFFAOYSA-N 1 1 480.616 3.956 50 0 JHAAMO COc1ccccc1[C@@H](CNC(=O)CCc1c(C)nc(SCc2ccccc2)[nH]c1=O)[NH+](C)C ZINC000023185215 556029439 /nfs/dbraw/zinc/02/94/39/556029439.db2.gz PZFKAYYWXIDOSY-JOCHJYFZSA-N 1 1 480.634 3.731 50 0 JHAAMO CCn1c(Cc2ccccc2)nn(CN2CC[NH+](CCOc3ccc(OC)cc3)CC2)c1=S ZINC000023257311 556036008 /nfs/dbraw/zinc/03/60/08/556036008.db2.gz HTFRUSQNUHZSNR-UHFFFAOYSA-N 1 1 467.639 3.687 50 0 JHAAMO COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)ccc1C ZINC000015918957 556066481 /nfs/dbraw/zinc/06/64/81/556066481.db2.gz VFTKFPCIPGMPKX-JOCHJYFZSA-N 1 1 467.591 3.837 50 0 JHAAMO CCOc1c(Br)cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1OC ZINC000023736150 556086511 /nfs/dbraw/zinc/08/65/11/556086511.db2.gz XCOJSDZKHNAMKE-UHFFFAOYSA-N 1 1 455.393 3.621 50 0 JHAAMO O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023844703 556091187 /nfs/dbraw/zinc/09/11/87/556091187.db2.gz BXABUPVJHWQIKR-UHFFFAOYSA-N 1 1 474.605 3.565 50 0 JHAAMO O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000025052482 556175292 /nfs/dbraw/zinc/17/52/92/556175292.db2.gz JNJDQGFTIYNYPM-FTJBHMTQSA-N 1 1 457.574 3.915 50 0 JHAAMO CN(C)[C@@H](CNC(=O)c1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1)c1ccsc1 ZINC000025332199 556209561 /nfs/dbraw/zinc/20/95/61/556209561.db2.gz QGKZLYLFFUSTCW-VXKWHMMOSA-N 1 1 470.664 3.875 50 0 JHAAMO CCOC(=O)C1CC[NH+]([C@H](c2ccncc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000017296986 556252464 /nfs/dbraw/zinc/25/24/64/556252464.db2.gz REMCVFDMBHKOHN-RUZDIDTESA-N 1 1 461.562 3.670 50 0 JHAAMO COc1ccccc1[C@@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)[NH+](C)C ZINC000018011475 556276018 /nfs/dbraw/zinc/27/60/18/556276018.db2.gz GKFITRGJNBKLKQ-JOCHJYFZSA-N 1 1 471.554 3.668 50 0 JHAAMO CCOc1ccc(C[N@H+](C)CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)cc1 ZINC000013095338 556287109 /nfs/dbraw/zinc/28/71/09/556287109.db2.gz AHKIRZHBVKSTEV-STZFKDTASA-N 1 1 471.554 3.509 50 0 JHAAMO CCOc1ccc(C[N@@H+](C)CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)cc1 ZINC000013095338 556287114 /nfs/dbraw/zinc/28/71/14/556287114.db2.gz AHKIRZHBVKSTEV-STZFKDTASA-N 1 1 471.554 3.509 50 0 JHAAMO COCC[NH+]1CCN(Cc2nnc3n2-c2ccc(Cl)cc2C(c2ccccc2Cl)=NC3)CC1 ZINC000019370782 556346588 /nfs/dbraw/zinc/34/65/88/556346588.db2.gz SHXBNEDBVVQXCY-UHFFFAOYSA-N 1 1 485.419 3.689 50 0 JHAAMO C[N@H+](CCOc1ccc(Cl)cc1)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000029119048 556346939 /nfs/dbraw/zinc/34/69/39/556346939.db2.gz WNSGTMIXKOEGHX-SFHVURJKSA-N 1 1 455.864 3.957 50 0 JHAAMO C[N@@H+](CCOc1ccc(Cl)cc1)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000029119048 556346946 /nfs/dbraw/zinc/34/69/46/556346946.db2.gz WNSGTMIXKOEGHX-SFHVURJKSA-N 1 1 455.864 3.957 50 0 JHAAMO Cc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019812080 556382660 /nfs/dbraw/zinc/38/26/60/556382660.db2.gz LHZSVUDMNIEPIP-UHFFFAOYSA-N 1 1 477.630 3.843 50 0 JHAAMO O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)NCC[N@H+]1CCc2ccccc2C1 ZINC000032579026 556446277 /nfs/dbraw/zinc/44/62/77/556446277.db2.gz WQGYVLYBOLRZBW-UHFFFAOYSA-N 1 1 454.530 3.957 50 0 JHAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2cc(-c3ccco3)nc3onc(C)c32)CC1 ZINC000032915644 556539410 /nfs/dbraw/zinc/53/94/10/556539410.db2.gz JLSVVZWBKKCAIE-UHFFFAOYSA-N 1 1 459.550 3.859 50 0 JHAAMO Cc1c(C(=O)NCc2ccccc2C[NH+]2CCN(C)CC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000032915609 556539423 /nfs/dbraw/zinc/53/94/23/556539423.db2.gz MQPQZVASHMNNFB-UHFFFAOYSA-N 1 1 471.527 3.877 50 0 JHAAMO O=C(CCN1Cc2ccccc2O[C@@H](c2ccccc2F)C1)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000039353473 563136732 /nfs/dbraw/zinc/13/67/32/563136732.db2.gz WKNYXGJOIYXDGC-WNCULLNHSA-N 1 1 481.612 3.599 50 0 JHAAMO O=C(CCN1Cc2ccccc2O[C@@H](c2ccccc2F)C1)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000039353473 563136733 /nfs/dbraw/zinc/13/67/33/563136733.db2.gz WKNYXGJOIYXDGC-WNCULLNHSA-N 1 1 481.612 3.599 50 0 JHAAMO CC(=O)c1cccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000033277330 569622129 /nfs/dbraw/zinc/62/21/29/569622129.db2.gz SRLCMFBGBGMJNM-UHFFFAOYSA-N 1 1 458.562 3.766 50 0 JHAAMO CC(=O)c1cccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000033277330 569622131 /nfs/dbraw/zinc/62/21/31/569622131.db2.gz SRLCMFBGBGMJNM-UHFFFAOYSA-N 1 1 458.562 3.766 50 0 JHAAMO CCc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)cc1 ZINC000064801952 569631535 /nfs/dbraw/zinc/63/15/35/569631535.db2.gz VUQDVHSPOXBQKZ-UHFFFAOYSA-N 1 1 453.568 3.728 50 0 JHAAMO COc1cccc(N2CC[NH+](Cc3cccc(C(=O)NCCc4ccccc4OC)c3)CC2)c1 ZINC000034684827 569644986 /nfs/dbraw/zinc/64/49/86/569644986.db2.gz VJSHZZOFSVREFG-UHFFFAOYSA-N 1 1 459.590 3.999 50 0 JHAAMO COc1cccc(CN2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)cc4)c3C2)c1 ZINC000034755779 569656058 /nfs/dbraw/zinc/65/60/58/569656058.db2.gz IWSNMFOGHWYLKL-UHFFFAOYSA-N 1 1 463.557 3.727 50 0 JHAAMO Cc1cc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2cccc(F)c2)CC3)ccc1F ZINC000034758552 569657378 /nfs/dbraw/zinc/65/73/78/569657378.db2.gz MXKZOALDKMWDOJ-UHFFFAOYSA-N 1 1 479.531 3.806 50 0 JHAAMO Cc1cccc(C(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)c(F)c4)c3C2)c1 ZINC000034760258 569657640 /nfs/dbraw/zinc/65/76/40/569657640.db2.gz SJYWUSCGLZZCGZ-UHFFFAOYSA-N 1 1 479.531 3.806 50 0 JHAAMO COc1ccccc1C(=O)N1CCc2nc(N3CC[NH+](C)CC3)nc(Oc3ccc(F)c(C)c3)c2C1 ZINC000034760431 569657730 /nfs/dbraw/zinc/65/77/30/569657730.db2.gz OPUYRIAGMPETNG-UHFFFAOYSA-N 1 1 491.567 3.675 50 0 JHAAMO COc1cccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)c1 ZINC000034787837 569659906 /nfs/dbraw/zinc/65/99/06/569659906.db2.gz MABYHNGQWOOXAC-MHZLTWQESA-N 1 1 489.641 3.997 50 0 JHAAMO COc1cccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)c1 ZINC000034787837 569659907 /nfs/dbraw/zinc/65/99/07/569659907.db2.gz MABYHNGQWOOXAC-MHZLTWQESA-N 1 1 489.641 3.997 50 0 JHAAMO C[C@@H](NC(=O)C[NH+]1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2)c1ccccc1 ZINC000067317657 569686834 /nfs/dbraw/zinc/68/68/34/569686834.db2.gz WROVPPSKPLITLE-MRXNPFEDSA-N 1 1 462.472 3.536 50 0 JHAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067689576 569689812 /nfs/dbraw/zinc/68/98/12/569689812.db2.gz SNWKCKFRCPKVHF-AREMUKBSSA-N 1 1 493.604 3.830 50 0 JHAAMO COCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cccc(C(=O)OC)c1 ZINC000035843600 569714553 /nfs/dbraw/zinc/71/45/53/569714553.db2.gz PVAUYZYTARMBTH-QHCPKHFHSA-N 1 1 460.571 3.725 50 0 JHAAMO COCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cccc(C(=O)OC)c1 ZINC000035843600 569714555 /nfs/dbraw/zinc/71/45/55/569714555.db2.gz PVAUYZYTARMBTH-QHCPKHFHSA-N 1 1 460.571 3.725 50 0 JHAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)NCc1cccnc1)C2 ZINC000035871745 569718925 /nfs/dbraw/zinc/71/89/25/569718925.db2.gz CWDWMDFIPFJFAE-AOYPEHQESA-N 1 1 477.008 3.923 50 0 JHAAMO CCOc1ccc(S(=O)(=O)N2CCN(c3cc(Nc4ccc(C)cc4)[nH+]c(C)n3)CC2)cc1 ZINC000096646346 569742738 /nfs/dbraw/zinc/74/27/38/569742738.db2.gz AWUOHSPOVISJOK-UHFFFAOYSA-N 1 1 467.595 3.747 50 0 JHAAMO CCNC(=O)Nc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)c(C(=O)N2CCCC2)c1 ZINC000036001267 569745898 /nfs/dbraw/zinc/74/58/98/569745898.db2.gz HCGVUJPQTRDXBV-UHFFFAOYSA-N 1 1 453.562 3.525 50 0 JHAAMO C[NH+]1CCN(C(=O)[C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000036042301 569753910 /nfs/dbraw/zinc/75/39/10/569753910.db2.gz GFDINNABGIMJTP-SFTDATJTSA-N 1 1 479.930 3.989 50 0 JHAAMO COCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1cccs1 ZINC000036312089 569759854 /nfs/dbraw/zinc/75/98/54/569759854.db2.gz OKPONYMAAAJODH-UHFFFAOYSA-N 1 1 458.559 3.583 50 0 JHAAMO CCc1nc(C)nc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c1Cc1ccc(C)cc1 ZINC000036340612 569763971 /nfs/dbraw/zinc/76/39/71/569763971.db2.gz LGNUVNDAHGNUCA-XMMPIXPASA-N 1 1 460.622 3.809 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccccc2)C1 ZINC000036341647 569764641 /nfs/dbraw/zinc/76/46/41/569764641.db2.gz RDQZLPZGHHHRHD-YKSBVNFPSA-N 1 1 479.577 3.657 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccccc2)C1 ZINC000036341647 569764642 /nfs/dbraw/zinc/76/46/42/569764642.db2.gz RDQZLPZGHHHRHD-YKSBVNFPSA-N 1 1 479.577 3.657 50 0 JHAAMO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036342877 569765998 /nfs/dbraw/zinc/76/59/98/569765998.db2.gz NZQVVYFMYROZCP-QHCPKHFHSA-N 1 1 452.986 3.832 50 0 JHAAMO C[N@@H+](CCCNC(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1)Cc1ccccc1 ZINC000037143264 569781481 /nfs/dbraw/zinc/78/14/81/569781481.db2.gz MLZLJCSHHIPTSP-UHFFFAOYSA-N 1 1 483.659 3.747 50 0 JHAAMO Cc1ccc(CNc2nn3c(nc(C[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)cc3=O)[nH]2)cc1 ZINC000101795976 569805270 /nfs/dbraw/zinc/80/52/70/569805270.db2.gz IHSACIRZZGVFSY-UHFFFAOYSA-N 1 1 497.525 3.679 50 0 JHAAMO 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CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN1CC[NH+](Cc2ccsc2)CC1 ZINC000022780470 523268185 /nfs/dbraw/zinc/26/81/85/523268185.db2.gz XBEVIASZPYSGBG-UHFFFAOYSA-N 1 1 487.695 3.610 50 0 JHAAMO CC[C@H](C)[N@H+](CCCNC(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C)Cc1ccco1 ZINC000033266112 523935758 /nfs/dbraw/zinc/93/57/58/523935758.db2.gz JTIKKSLHQFVLAD-SFHVURJKSA-N 1 1 484.670 3.765 50 0 JHAAMO CC[C@H](C)[N@@H+](CCCNC(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C)Cc1ccco1 ZINC000033266112 523935766 /nfs/dbraw/zinc/93/57/66/523935766.db2.gz JTIKKSLHQFVLAD-SFHVURJKSA-N 1 1 484.670 3.765 50 0 JHAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)C2CCN(c3ccc4nnc(-c5ccc(Cl)cc5)n4n3)CC2)C1 ZINC000033260175 524087384 /nfs/dbraw/zinc/08/73/84/524087384.db2.gz WKXBVRZZJGMLCC-IBGZPJMESA-N 1 1 496.059 3.899 50 0 JHAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)C1 ZINC000033131373 524222905 /nfs/dbraw/zinc/22/29/05/524222905.db2.gz TZNYXPUXTWWCQR-GOSISDBHSA-N 1 1 456.052 3.757 50 0 JHAAMO C[C@H](CNc1cc(C(=O)N2CCC[N@@H+](C)CC2)cc(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1 ZINC000014749080 524504914 /nfs/dbraw/zinc/50/49/14/524504914.db2.gz FTYLNCRCWPAIHY-HXUWFJFHSA-N 1 1 486.682 3.757 50 0 JHAAMO COc1ccccc1[C@H](CNS(=O)(=O)c1ccc(F)cc1Br)[NH+]1CCCC1 ZINC000048286156 524793636 /nfs/dbraw/zinc/79/36/36/524793636.db2.gz VKKNGLGQLOVGTD-KRWDZBQOSA-N 1 1 457.365 3.712 50 0 JHAAMO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000016422532 524902412 /nfs/dbraw/zinc/90/24/12/524902412.db2.gz OFEVJMQQCKQXCL-INIZCTEOSA-N 1 1 466.504 3.507 50 0 JHAAMO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000016422532 524902424 /nfs/dbraw/zinc/90/24/24/524902424.db2.gz OFEVJMQQCKQXCL-INIZCTEOSA-N 1 1 466.504 3.507 50 0 JHAAMO Cc1ccc(NC(=O)c2nnc(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)s2)cc1 ZINC000033061088 525261420 /nfs/dbraw/zinc/26/14/20/525261420.db2.gz LFEZZRBBMCBGOQ-UHFFFAOYSA-N 1 1 463.607 3.783 50 0 JHAAMO COc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c(OC)c1 ZINC000036342491 525404107 /nfs/dbraw/zinc/40/41/07/525404107.db2.gz UQPVEIDODIMWTE-RUZDIDTESA-N 1 1 493.604 3.837 50 0 JHAAMO Cc1c(C[N@@H+]2CC(=O)N(CC(C)C)C[C@H](OCc3cccc(F)c3)C2)c(=O)n(-c2ccccc2)n1C ZINC000014740410 525702822 /nfs/dbraw/zinc/70/28/22/525702822.db2.gz HOJOVWIZTFOLAF-RUZDIDTESA-N 1 1 494.611 3.509 50 0 JHAAMO Cc1c(C[N@H+]2CC(=O)N(CC(C)C)C[C@H](OCc3cccc(F)c3)C2)c(=O)n(-c2ccccc2)n1C ZINC000014740410 525702830 /nfs/dbraw/zinc/70/28/30/525702830.db2.gz HOJOVWIZTFOLAF-RUZDIDTESA-N 1 1 494.611 3.509 50 0 JHAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)NC2CCCC2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456394 525820104 /nfs/dbraw/zinc/82/01/04/525820104.db2.gz SBRSYXKFCVXLLQ-UHFFFAOYSA-N 1 1 456.590 3.836 50 0 JHAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)NC2CCCC2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456394 525820111 /nfs/dbraw/zinc/82/01/11/525820111.db2.gz SBRSYXKFCVXLLQ-UHFFFAOYSA-N 1 1 456.590 3.836 50 0 JHAAMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000016379449 526157378 /nfs/dbraw/zinc/15/73/78/526157378.db2.gz OXISBDZCFRPHSS-QGZVFWFLSA-N 1 1 450.004 3.974 50 0 JHAAMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000016379449 526157387 /nfs/dbraw/zinc/15/73/87/526157387.db2.gz OXISBDZCFRPHSS-QGZVFWFLSA-N 1 1 450.004 3.974 50 0 JHAAMO Cc1ccc2nc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)C3)[nH]c2c1 ZINC000033072142 526252535 /nfs/dbraw/zinc/25/25/35/526252535.db2.gz DEPDPSDPFDQPPW-OAQYLSRUSA-N 1 1 478.616 3.555 50 0 JHAAMO Cc1noc(C)c1CC(=O)N1CCC[C@@H](COc2cccc(C[N@@H+](C)Cc3cnn(C)c3)c2)C1 ZINC000014966387 526478737 /nfs/dbraw/zinc/47/87/37/526478737.db2.gz ACCCTRSSLYKKJJ-JOCHJYFZSA-N 1 1 465.598 3.517 50 0 JHAAMO Cc1noc(C)c1CC(=O)N1CCC[C@@H](COc2cccc(C[N@H+](C)Cc3cnn(C)c3)c2)C1 ZINC000014966387 526478746 /nfs/dbraw/zinc/47/87/46/526478746.db2.gz ACCCTRSSLYKKJJ-JOCHJYFZSA-N 1 1 465.598 3.517 50 0 JHAAMO O=C(CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1)NCc1ccc2c(c1)OCO2 ZINC000033069224 526649272 /nfs/dbraw/zinc/64/92/72/526649272.db2.gz KYUOSUZQEBXVNC-UHFFFAOYSA-N 1 1 480.952 3.990 50 0 JHAAMO O=C(CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1)NCc1ccc2c(c1)OCO2 ZINC000033069224 526649280 /nfs/dbraw/zinc/64/92/80/526649280.db2.gz KYUOSUZQEBXVNC-UHFFFAOYSA-N 1 1 480.952 3.990 50 0 JHAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014674922 526844411 /nfs/dbraw/zinc/84/44/11/526844411.db2.gz JOADBICANYFKQK-UHFFFAOYSA-N 1 1 493.963 3.751 50 0 JHAAMO O=C(Cc1cccs1)N1CC[NH+]([C@@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1 ZINC000036250615 527301803 /nfs/dbraw/zinc/30/18/03/527301803.db2.gz HWYCLZZXJILDPK-RUZDIDTESA-N 1 1 451.636 3.579 50 0 JHAAMO Cc1nn(-c2ccc(-c3ccc(C)c(C)c3)nn2)c(C)c1S(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000033308203 527519226 /nfs/dbraw/zinc/51/92/26/527519226.db2.gz JZDMURFKUBHGCC-IBGZPJMESA-N 1 1 482.654 3.716 50 0 JHAAMO Cn1nc(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)c2c1-c1ccccc1SC2 ZINC000020485175 527544024 /nfs/dbraw/zinc/54/40/24/527544024.db2.gz NAZRHJMQRWQGDV-UHFFFAOYSA-N 1 1 461.635 3.631 50 0 JHAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146987 527657519 /nfs/dbraw/zinc/65/75/19/527657519.db2.gz HSBOTZBDTAASGI-GGAORHGYSA-N 1 1 482.508 3.720 50 0 JHAAMO COc1ccc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C)C5)cc2OC)cc1 ZINC000008874816 554770616 /nfs/dbraw/zinc/77/06/16/554770616.db2.gz WODSAWJZCKLHCI-JOCHJYFZSA-N 1 1 479.558 3.827 50 0 JHAAMO COc1ccc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C)C5)cc2OC)cc1 ZINC000008874816 554770618 /nfs/dbraw/zinc/77/06/18/554770618.db2.gz WODSAWJZCKLHCI-JOCHJYFZSA-N 1 1 479.558 3.827 50 0 JHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O ZINC000008933559 554827801 /nfs/dbraw/zinc/82/78/01/554827801.db2.gz IATFNDONVHMEDQ-HXUWFJFHSA-N 1 1 477.996 3.653 50 0 JHAAMO Cc1c2cnn(CC(=O)NCCC[N@@H+]3[C@H](C)CCC[C@@H]3C)c(=O)c2c(C)n1Cc1ccccc1 ZINC000008965395 554839938 /nfs/dbraw/zinc/83/99/38/554839938.db2.gz VUYNJRKHQFWBAI-BGYRXZFFSA-N 1 1 463.626 3.632 50 0 JHAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1nnc(Cc2c(F)cccc2Cl)o1 ZINC000009561242 555358867 /nfs/dbraw/zinc/35/88/67/555358867.db2.gz GWYKZPHDWSPQTR-UHFFFAOYSA-N 1 1 475.927 3.534 50 0 JHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4cc(OC)c(C)cc4C)CC3)n2)cc1 ZINC000009573268 555370071 /nfs/dbraw/zinc/37/00/71/555370071.db2.gz GRBLMXMUYJZLRL-UHFFFAOYSA-N 1 1 497.621 3.674 50 0 JHAAMO CC[NH+](CC)CCN(C(=O)c1cccc(S(C)(=O)=O)c1)c1nc2c(s1)c(OC)ccc2OC ZINC000009707986 555432125 /nfs/dbraw/zinc/43/21/25/555432125.db2.gz KOGOXOMBGHCPFP-UHFFFAOYSA-N 1 1 491.635 3.706 50 0 JHAAMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCC1 ZINC000009723763 555455659 /nfs/dbraw/zinc/45/56/59/555455659.db2.gz XBBCRBKCZDDFPS-JOCHJYFZSA-N 1 1 471.623 3.818 50 0 JHAAMO O=C(NCCC[NH+]1CCOCC1)c1nn2c(nc(-c3ccc(F)cc3)cc2C(F)(F)F)c1Cl ZINC000019855633 555513015 /nfs/dbraw/zinc/51/30/15/555513015.db2.gz VFWACMSZLCDFPO-UHFFFAOYSA-N 1 1 485.869 3.660 50 0 JHAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000020018701 555594891 /nfs/dbraw/zinc/59/48/91/555594891.db2.gz NFAGSIFCPJMZIX-UHFFFAOYSA-N 1 1 499.583 3.665 50 0 JHAAMO CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000013735343 555605798 /nfs/dbraw/zinc/60/57/98/555605798.db2.gz DZLDQINXDKSRDL-NDEPHWFRSA-N 1 1 484.644 3.741 50 0 JHAAMO Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc2ccc(NC(=O)CCC(=O)NCCC[NH+]3CCOCC3)cc12 ZINC000020138613 555662002 /nfs/dbraw/zinc/66/20/02/555662002.db2.gz KWANIVQBIARZKT-SFTDATJTSA-N 1 1 495.668 3.583 50 0 JHAAMO COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)NCC[N@@H+](C)Cc3ccccc3)c3ccccc3C(=O)N1CC2 ZINC000020153473 555672781 /nfs/dbraw/zinc/67/27/81/555672781.db2.gz FTIDJGQAIDBFHZ-NSOVKSMOSA-N 1 1 499.611 3.789 50 0 JHAAMO C[C@H](OC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014070072 555678324 /nfs/dbraw/zinc/67/83/24/555678324.db2.gz CMQXFEQANXFBTE-NRFANRHFSA-N 1 1 456.542 3.807 50 0 JHAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3nnc(Cc4ccccc4Cl)o3)C[C@H]2C)c1 ZINC000020177393 555683140 /nfs/dbraw/zinc/68/31/40/555683140.db2.gz CZQOHAMZRVZCJJ-LJQANCHMSA-N 1 1 468.001 3.953 50 0 JHAAMO CN1CC[NH+](CCCNC(=O)CN2C(=O)/C(=C\c3ccccc3Cl)Sc3ccccc32)CC1 ZINC000020181461 555688545 /nfs/dbraw/zinc/68/85/45/555688545.db2.gz ZGDKVOIQNZFBNS-HAVVHWLPSA-N 1 1 485.053 3.574 50 0 JHAAMO C[C@@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)c1ccc(S(C)(=O)=O)cc1 ZINC000014138599 555704634 /nfs/dbraw/zinc/70/46/34/555704634.db2.gz LIZQYSAQIRDONI-DNVCBOLYSA-N 1 1 457.577 3.773 50 0 JHAAMO CCOC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214534 555709958 /nfs/dbraw/zinc/70/99/58/555709958.db2.gz DGIPDWQVYZJYKX-RUZDIDTESA-N 1 1 484.641 3.595 50 0 JHAAMO 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50 0 JHAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000095100970 569721663 /nfs/dbraw/zinc/72/16/63/569721663.db2.gz YGGCQAKGPVPKGX-RUZDIDTESA-N 1 1 463.578 3.821 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000095346116 569722199 /nfs/dbraw/zinc/72/21/99/569722199.db2.gz LKZBLJXQHFYYFM-NDBXHCKUSA-N 1 1 465.509 3.849 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000095346116 569722200 /nfs/dbraw/zinc/72/22/00/569722200.db2.gz LKZBLJXQHFYYFM-NDBXHCKUSA-N 1 1 465.509 3.849 50 0 JHAAMO O[C@@H](COCc1ccc2c(c1)OCO2)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000096682220 569742930 /nfs/dbraw/zinc/74/29/30/569742930.db2.gz GQDPBEWQFUINBJ-RUZDIDTESA-N 1 1 460.574 3.700 50 0 JHAAMO COc1ccccc1[C@@H]1CC(c2cc(C)ccc2C)=NN1C(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000036343000 569766175 /nfs/dbraw/zinc/76/61/75/569766175.db2.gz SJZAPVXVZXYXDZ-DEOSSOPVSA-N 1 1 463.578 3.829 50 0 JHAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](O)COC ZINC000036346573 569770163 /nfs/dbraw/zinc/77/01/63/569770163.db2.gz LXQJPHWEADNUAR-FQEVSTJZSA-N 1 1 461.509 3.707 50 0 JHAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](O)COC ZINC000036346573 569770164 /nfs/dbraw/zinc/77/01/64/569770164.db2.gz LXQJPHWEADNUAR-FQEVSTJZSA-N 1 1 461.509 3.707 50 0 JHAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](O)COC ZINC000036346630 569770339 /nfs/dbraw/zinc/77/03/39/569770339.db2.gz FRMKYXKPQVGWCA-OAQYLSRUSA-N 1 1 461.509 3.707 50 0 JHAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](O)COC ZINC000036346630 569770340 /nfs/dbraw/zinc/77/03/40/569770340.db2.gz FRMKYXKPQVGWCA-OAQYLSRUSA-N 1 1 461.509 3.707 50 0 JHAAMO Cc1ccc(-c2noc(CCN(CCC[NH+]3CCOCC3)C(=O)COc3ccc(Cl)cc3)n2)cc1 ZINC000037380428 569784867 /nfs/dbraw/zinc/78/48/67/569784867.db2.gz JBRJPQSUEKPHFF-UHFFFAOYSA-N 1 1 499.011 3.871 50 0 JHAAMO Cc1ccc(-c2noc(CCN(CCC[NH+]3CCOCC3)C(=O)CCc3ccccc3)n2)cc1 ZINC000037381004 569784986 /nfs/dbraw/zinc/78/49/86/569784986.db2.gz CVKJYGWMBSFONJ-UHFFFAOYSA-N 1 1 462.594 3.771 50 0 JHAAMO O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000101359119 569794284 /nfs/dbraw/zinc/79/42/84/569794284.db2.gz RZMCTNYJWIFFMY-XPGKHFPBSA-N 1 1 493.519 3.565 50 0 JHAAMO O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000101359119 569794285 /nfs/dbraw/zinc/79/42/85/569794285.db2.gz RZMCTNYJWIFFMY-XPGKHFPBSA-N 1 1 493.519 3.565 50 0 JHAAMO O=c1occ(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c([O-])c1C[N@H+]1CCc2ccccc2C1 ZINC000101374056 569794884 /nfs/dbraw/zinc/79/48/84/569794884.db2.gz MMDKFFURERPZPV-UHFFFAOYSA-N 1 1 465.981 3.879 50 0 JHAAMO O=C(NCc1ccccc1)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000101490781 569799682 /nfs/dbraw/zinc/79/96/82/569799682.db2.gz WUHAWEJURQTYMT-FQEVSTJZSA-N 1 1 460.361 3.654 50 0 JHAAMO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000040149206 569818603 /nfs/dbraw/zinc/81/86/03/569818603.db2.gz ZDFCQIHQTGCVNK-GFCCVEGCSA-N 1 1 465.735 3.714 50 0 JHAAMO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000040149206 569818601 /nfs/dbraw/zinc/81/86/01/569818601.db2.gz ZDFCQIHQTGCVNK-GFCCVEGCSA-N 1 1 465.735 3.714 50 0 JHAAMO COc1ccc(C(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)c2ccc(OC)cc2)cc1 ZINC000040149518 569819047 /nfs/dbraw/zinc/81/90/47/569819047.db2.gz KZGHFCGGJFSRQL-UHFFFAOYSA-N 1 1 488.588 3.655 50 0 JHAAMO CCC1=C(C(=O)OC)[C@H](c2ccccc2)N2C(CC(=O)NCC[C@@H]3CCC[N@H+]3C)=CSC2=N1 ZINC000102940739 569829430 /nfs/dbraw/zinc/82/94/30/569829430.db2.gz LUAGUDCSDBTRAV-MBSDFSHPSA-N 1 1 468.623 3.815 50 0 JHAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000103507578 569835447 /nfs/dbraw/zinc/83/54/47/569835447.db2.gz AYRAODBRFZDFIE-DFIMXKNXSA-N 1 1 451.526 3.685 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000105008340 569850067 /nfs/dbraw/zinc/85/00/67/569850067.db2.gz JOEIVDYWFLBBDV-DENIHFKCSA-N 1 1 481.524 3.507 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000105008340 569850069 /nfs/dbraw/zinc/85/00/69/569850069.db2.gz JOEIVDYWFLBBDV-DENIHFKCSA-N 1 1 481.524 3.507 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000105010257 569850544 /nfs/dbraw/zinc/85/05/44/569850544.db2.gz VWVRUHJISYNBPY-JTHBVZDNSA-N 1 1 477.561 3.677 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000105010257 569850545 /nfs/dbraw/zinc/85/05/45/569850545.db2.gz VWVRUHJISYNBPY-JTHBVZDNSA-N 1 1 477.561 3.677 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105010032 569850556 /nfs/dbraw/zinc/85/05/56/569850556.db2.gz BKXWTMALVGKYPV-GBXCKJPGSA-N 1 1 479.577 3.657 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105010032 569850557 /nfs/dbraw/zinc/85/05/57/569850557.db2.gz BKXWTMALVGKYPV-GBXCKJPGSA-N 1 1 479.577 3.657 50 0 JHAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccco2)[C@@H](C)C1 ZINC000169680755 569870613 /nfs/dbraw/zinc/87/06/13/569870613.db2.gz JKLTZGFDYXEDGE-UQBPGWFLSA-N 1 1 463.603 3.970 50 0 JHAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccco2)[C@@H](C)C1 ZINC000169680755 569870614 /nfs/dbraw/zinc/87/06/14/569870614.db2.gz JKLTZGFDYXEDGE-UQBPGWFLSA-N 1 1 463.603 3.970 50 0 JHAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1ccc(F)cc1 ZINC000230066286 570044190 /nfs/dbraw/zinc/04/41/90/570044190.db2.gz PROMUXVWVGRHOH-RPBOFIJWSA-N 1 1 469.601 3.991 50 0 JHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000245228610 570055758 /nfs/dbraw/zinc/05/57/58/570055758.db2.gz XGYLPXHEVUQKNI-SFTDATJTSA-N 1 1 467.662 3.540 50 0 JHAAMO CC(C)OC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)CC1CC1 ZINC000245325617 570064341 /nfs/dbraw/zinc/06/43/41/570064341.db2.gz BJPMZBVDTOYAQI-ZJSXRUAMSA-N 1 1 490.641 3.890 50 0 JHAAMO COC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(C)C ZINC000245329175 570066158 /nfs/dbraw/zinc/06/61/58/570066158.db2.gz REJLJNWXAGPBGD-WIYYLYMNSA-N 1 1 467.031 3.624 50 0 JHAAMO COC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(C)C ZINC000245329171 570066173 /nfs/dbraw/zinc/06/61/73/570066173.db2.gz REJLJNWXAGPBGD-GHTZIAJQSA-N 1 1 467.031 3.624 50 0 JHAAMO O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@@H]1CCC[N@H+]1[C@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000247803817 570069517 /nfs/dbraw/zinc/06/95/17/570069517.db2.gz HJRPWMQCDYZUOL-APSVEGKFSA-N 1 1 463.537 3.713 50 0 JHAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000247878224 570070622 /nfs/dbraw/zinc/07/06/22/570070622.db2.gz PTYYGYVGYINSFO-YIKPNSEUSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000247878224 570070623 /nfs/dbraw/zinc/07/06/23/570070623.db2.gz PTYYGYVGYINSFO-YIKPNSEUSA-N 1 1 456.329 3.733 50 0 JHAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000249693987 570078819 /nfs/dbraw/zinc/07/88/19/570078819.db2.gz OOGVVLACMFNPTO-XUJKJYMVSA-N 1 1 470.356 3.839 50 0 JHAAMO COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)c(C[N@H+]3CC[C@@H](c4ccccc4)C3)n1C)CC2 ZINC000253413630 570098382 /nfs/dbraw/zinc/09/83/82/570098382.db2.gz VGOSIXVUZHATTJ-JOCHJYFZSA-N 1 1 489.616 3.656 50 0 biogenic JHAAMO COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000001752468 194134477 /nfs/dbraw/zinc/13/44/77/194134477.db2.gz QNVBDQANWDWKTR-UHFFFAOYSA-N 1 1 463.650 3.994 50 0 JHAAMO COc1cccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000003670321 194357992 /nfs/dbraw/zinc/35/79/92/194357992.db2.gz ODQPJZSCQCVVOR-MHZLTWQESA-N 1 1 474.561 3.531 50 0 JHAAMO CCn1c(=O)cc(SCC(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)c2ccccc21 ZINC000004056691 194372754 /nfs/dbraw/zinc/37/27/54/194372754.db2.gz AUNYTVRZCBFVRC-UHFFFAOYSA-N 1 1 482.625 3.581 50 0 JHAAMO CCCn1c2ccccc2c2cnn(CC(=O)NCCC[N@@H+](CC)Cc3ccccc3)c(=O)c21 ZINC000009153403 194571113 /nfs/dbraw/zinc/57/11/13/194571113.db2.gz SYYKBNZBQGAXOW-UHFFFAOYSA-N 1 1 459.594 3.790 50 0 JHAAMO Cc1ccc(-c2csc3ncn(CC(=O)N[C@@H]4CC[N@@H+](Cc5ccccc5)C4)c(=O)c23)cc1 ZINC000009743224 194937151 /nfs/dbraw/zinc/93/71/51/194937151.db2.gz GIEDVRLOZAPHAE-OAQYLSRUSA-N 1 1 458.587 3.824 50 0 JHAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000012751046 195105870 /nfs/dbraw/zinc/10/58/70/195105870.db2.gz XNOMHQOLECYNMB-AREMUKBSSA-N 1 1 451.611 3.761 50 0 JHAAMO COc1ccc(-c2cc3ncn(CC(=O)N[C@@H]4CC[N@@H+](Cc5ccccc5)C4)c(=O)c3s2)cc1 ZINC000012766171 195113832 /nfs/dbraw/zinc/11/38/32/195113832.db2.gz VKPQIOBPTDZUHD-HXUWFJFHSA-N 1 1 474.586 3.524 50 0 JHAAMO Cc1oc2cc3oc(=O)c(CC(=O)N4CC[NH+](CCc5ccccn5)CC4)c(C)c3cc2c1C ZINC000020647830 195195374 /nfs/dbraw/zinc/19/53/74/195195374.db2.gz DXTSOYPDYPSSTN-UHFFFAOYSA-N 1 1 459.546 3.789 50 0 JHAAMO Cc1coc2c1cc1c(C)c(CC(=O)N3CC[NH+](CCc4ccncc4)CC3)c(=O)oc1c2C ZINC000020623997 195190678 /nfs/dbraw/zinc/19/06/78/195190678.db2.gz CQHFUVCVGITDNN-UHFFFAOYSA-N 1 1 459.546 3.789 50 0 JHAAMO CC[N@@H+]1CCc2nc(NC(=O)C3CCN(c4ncnc5sc(C)c(C)c54)CC3)sc2C1 ZINC000021295648 195293371 /nfs/dbraw/zinc/29/33/71/195293371.db2.gz WSDLZZCLTBSBJR-UHFFFAOYSA-N 1 1 456.641 3.998 50 0 JHAAMO CC[N@H+]1CCc2nc(NC(=O)C3CCN(c4ncnc5sc(C)c(C)c54)CC3)sc2C1 ZINC000021295648 195293373 /nfs/dbraw/zinc/29/33/73/195293373.db2.gz WSDLZZCLTBSBJR-UHFFFAOYSA-N 1 1 456.641 3.998 50 0 JHAAMO CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000021794821 195322037 /nfs/dbraw/zinc/32/20/37/195322037.db2.gz VUPSTPDYFNOFHC-UHFFFAOYSA-N 1 1 466.567 3.888 50 0 JHAAMO Cc1nc2nc(Cc3cccc(F)c3)nn2c(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1C ZINC000021941698 195339155 /nfs/dbraw/zinc/33/91/55/195339155.db2.gz DUXKZZAKFNBULJ-UHFFFAOYSA-N 1 1 474.540 3.522 50 0 JHAAMO Brc1ccc2[nH]c3c(ncnc3N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000002300264 518216465 /nfs/dbraw/zinc/21/64/65/518216465.db2.gz FNVWVNZBSNHSTF-UHFFFAOYSA-N 1 1 466.339 3.925 50 0 JHAAMO CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000021650482 519702040 /nfs/dbraw/zinc/70/20/40/519702040.db2.gz AWUSTGVAOHLDAT-FQEVSTJZSA-N 1 1 480.657 3.736 50 0 JHAAMO CC(C)CNC(=O)c1ccc(CSc2nc(N3CC[NH+](C)CC3)cc(C(F)(F)F)n2)o1 ZINC000036038816 519741576 /nfs/dbraw/zinc/74/15/76/519741576.db2.gz UGJQRMYUSYFQJH-UHFFFAOYSA-N 1 1 457.522 3.518 50 0 JHAAMO CC(C)c1ccc(Oc2cnn(C)c(=O)c2Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000036073173 519838349 /nfs/dbraw/zinc/83/83/49/519838349.db2.gz ASGVINBOSNIUSU-UHFFFAOYSA-N 1 1 461.566 3.827 50 0 JHAAMO CC(C)c1nc2c(c(=O)n1CC(=O)N[C@H]1CCc3ccccc31)CC[N@H+](Cc1ccccc1)C2 ZINC000033277360 519869099 /nfs/dbraw/zinc/86/90/99/519869099.db2.gz LCSLLXVTZHKAND-DEOSSOPVSA-N 1 1 456.590 3.729 50 0 JHAAMO CC(C)c1nc2c(c(=O)n1CC(=O)N[C@H]1CCc3ccccc31)CC[N@@H+](Cc1ccccc1)C2 ZINC000033277360 519869100 /nfs/dbraw/zinc/86/91/00/519869100.db2.gz LCSLLXVTZHKAND-DEOSSOPVSA-N 1 1 456.590 3.729 50 0 JHAAMO CCOC(=O)C1CC[NH+]([C@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccccn3)c2=O)CC1 ZINC000022697974 520581594 /nfs/dbraw/zinc/58/15/94/520581594.db2.gz YGSSYTSWNXNOFF-RUZDIDTESA-N 1 1 479.552 3.809 50 0 JHAAMO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000014971627 521181109 /nfs/dbraw/zinc/18/11/09/521181109.db2.gz YWUSKYWREOOGCT-AREMUKBSSA-N 1 1 451.567 3.831 50 0 JHAAMO CCOC(=O)c1ccc(NC(=S)NCC[NH+]2CCN(c3ccc(Cl)cc3C)CC2)cc1 ZINC000016361346 521516224 /nfs/dbraw/zinc/51/62/24/521516224.db2.gz RZXNFTRARHPTQO-UHFFFAOYSA-N 1 1 461.031 3.934 50 0 JHAAMO COC(=O)c1c(OCc2ccc(F)cc2)cc(=O)n2c1CC[N@@H+](Cc1ccccc1C)CC2 ZINC000014879434 521781990 /nfs/dbraw/zinc/78/19/90/521781990.db2.gz VZYXCNXQQXGQNG-UHFFFAOYSA-N 1 1 450.510 3.720 50 0 JHAAMO COC[C@@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1 ZINC000036309526 522399078 /nfs/dbraw/zinc/39/90/78/522399078.db2.gz ASSOXEGVBQNBGJ-URXFXBBRSA-N 1 1 474.667 3.917 50 0 JHAAMO CC[C@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 ZINC000036309129 522806067 /nfs/dbraw/zinc/80/60/67/522806067.db2.gz XFQRBOPEFVRNJL-REWPJTCUSA-N 1 1 460.640 3.671 50 0 JHAAMO COCc1c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cnn1-c1nccc(-c2cccs2)n1 ZINC000014881770 522897781 /nfs/dbraw/zinc/89/77/81/522897781.db2.gz OFHCZTIQDJGQQM-FXAWDEMLSA-N 1 1 466.611 3.532 50 0 JHAAMO CC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)CC1CC1 ZINC000036309316 522990782 /nfs/dbraw/zinc/99/07/82/522990782.db2.gz HVTACURRZDTDQP-XXBNENTESA-N 1 1 458.624 3.744 50 0 JHAAMO COc1ccc(-c2nc(S[C@@H](CC(=O)NCCC[NH+]3CCOCC3)c3ccccc3)n[nH]2)cc1 ZINC000015441415 523176932 /nfs/dbraw/zinc/17/69/32/523176932.db2.gz RUVMDEUGFUJYOK-QFIPXVFZSA-N 1 1 481.622 3.542 50 0 JHAAMO COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCC[N@H+]4CCc5ccccc5C4)C3)n2)cc1 ZINC000033249502 523299019 /nfs/dbraw/zinc/29/90/19/523299019.db2.gz LCCYQMAMXHVREE-QHCPKHFHSA-N 1 1 475.593 3.526 50 0 JHAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccccc2-c2ccco2)CC3)cc1 ZINC000012218710 523703349 /nfs/dbraw/zinc/70/33/49/523703349.db2.gz PYMSFWQYCKECNM-UHFFFAOYSA-N 1 1 471.561 3.578 50 0 JHAAMO COc1ccc(CCN(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(OC)c(OC)c3)C2)cc1OC ZINC000004102034 523938965 /nfs/dbraw/zinc/93/89/65/523938965.db2.gz XJJDWEDQSMGTCV-OAQYLSRUSA-N 1 1 456.583 3.634 50 0 JHAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)C2CCN(c3ccc4nnc(-c5ccc(Cl)cc5)n4n3)CC2)C1 ZINC000033260174 524224185 /nfs/dbraw/zinc/22/41/85/524224185.db2.gz WKXBVRZZJGMLCC-LJQANCHMSA-N 1 1 496.059 3.899 50 0 JHAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000012245070 524320476 /nfs/dbraw/zinc/32/04/76/524320476.db2.gz XXEWGWZQXQRBLC-NBILRRPASA-N 1 1 459.594 3.668 50 0 JHAAMO COc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@H+](Cc2ccccc2)CC3)cc1OC ZINC000035457245 524527821 /nfs/dbraw/zinc/52/78/21/524527821.db2.gz VZPCYEYRIHYGHN-UHFFFAOYSA-N 1 1 476.577 3.581 50 0 JHAAMO COc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@@H+](Cc2ccccc2)CC3)cc1OC ZINC000035457245 524527830 /nfs/dbraw/zinc/52/78/30/524527830.db2.gz VZPCYEYRIHYGHN-UHFFFAOYSA-N 1 1 476.577 3.581 50 0 JHAAMO Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)c2)c1 ZINC000022444579 524693018 /nfs/dbraw/zinc/69/30/18/524693018.db2.gz TUKLALWYTQEWTR-UHFFFAOYSA-N 1 1 471.623 3.561 50 0 JHAAMO COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)NC[C@@H]4CCC[N@H+]5CCCC[C@H]45)c3C)n2)c1 ZINC000014951880 524792841 /nfs/dbraw/zinc/79/28/41/524792841.db2.gz VBCMZSJFIAZTDW-YADARESESA-N 1 1 490.608 3.649 50 0 JHAAMO COc1ccc(OC)c([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000036342391 524912100 /nfs/dbraw/zinc/91/21/00/524912100.db2.gz PSXSKZCTSUPRMV-HSZRJFAPSA-N 1 1 499.995 3.874 50 0 JHAAMO COc1cccc(CCc2nc3cccnc3n2C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000014882528 525905784 /nfs/dbraw/zinc/90/57/84/525905784.db2.gz MNLVRWBDLWJUIM-DEOSSOPVSA-N 1 1 461.610 3.873 50 0 JHAAMO COc1cccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4ccc(F)cc4F)[nH]c(=O)c3C2)c1 ZINC000033331816 525953742 /nfs/dbraw/zinc/95/37/42/525953742.db2.gz MEEBRRSLEQPQMR-UHFFFAOYSA-N 1 1 472.517 3.758 50 0 JHAAMO COc1cccc(C[N@H+]2CCc3nc(SCC(=O)Nc4ccc(F)cc4F)[nH]c(=O)c3C2)c1 ZINC000033331816 525953752 /nfs/dbraw/zinc/95/37/52/525953752.db2.gz MEEBRRSLEQPQMR-UHFFFAOYSA-N 1 1 472.517 3.758 50 0 JHAAMO Cc1coc2cc3oc(=O)c(CCC(=O)N4CC[NH+](CCc5ccccn5)CC4)c(C)c3cc12 ZINC000020426545 526291323 /nfs/dbraw/zinc/29/13/23/526291323.db2.gz IEVSMOBSHCDNTR-UHFFFAOYSA-N 1 1 459.546 3.871 50 0 biogenic JHAAMO O=C(NCc1ccccn1)c1nn(CCc2ccccc2)c2c1C[N@H+](Cc1ccc(O)cc1)CC2 ZINC000014743713 526765505 /nfs/dbraw/zinc/76/55/05/526765505.db2.gz PULGYBKUXFJSST-UHFFFAOYSA-N 1 1 467.573 3.715 50 0 JHAAMO O=C(NCc1ccccn1)c1nn(CCc2ccccc2)c2c1C[N@@H+](Cc1ccc(O)cc1)CC2 ZINC000014743713 526765508 /nfs/dbraw/zinc/76/55/08/526765508.db2.gz PULGYBKUXFJSST-UHFFFAOYSA-N 1 1 467.573 3.715 50 0 JHAAMO O=c1[nH]c(C[N@H+](C[C@H](O)COCc2ccco2)C2CCCCC2)nc2sc3c(c21)CCC3 ZINC000036159830 527436062 /nfs/dbraw/zinc/43/60/62/527436062.db2.gz POEPDXNZZLOQLO-KRWDZBQOSA-N 1 1 457.596 3.779 50 0 JHAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21C(=O)Nc2c1cc(C)cc2Cl ZINC000002198214 554089878 /nfs/dbraw/zinc/08/98/78/554089878.db2.gz GSFANYPYYXBRJU-WDEBQMKVSA-N 1 1 486.355 3.742 50 0 JHAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1cc(C)cc2Cl ZINC000002198214 554089880 /nfs/dbraw/zinc/08/98/80/554089880.db2.gz GSFANYPYYXBRJU-WDEBQMKVSA-N 1 1 486.355 3.742 50 0 JHAAMO CC[NH+]1CCN(c2ncnc3c2sc2nc(N4CCCC4)c4c(c23)CC(C)(C)OC4)CC1 ZINC000002343785 554157568 /nfs/dbraw/zinc/15/75/68/554157568.db2.gz XXGSJXNGAWSSIL-UHFFFAOYSA-N 1 1 452.628 3.833 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002360101 554165408 /nfs/dbraw/zinc/16/54/08/554165408.db2.gz GEEXJIYBFWBDSH-FXKZBUDASA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002360101 554165410 /nfs/dbraw/zinc/16/54/10/554165410.db2.gz GEEXJIYBFWBDSH-FXKZBUDASA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CSc1nnnn1-c1ccc(Cl)cc1 ZINC000008856790 554752785 /nfs/dbraw/zinc/75/27/85/554752785.db2.gz GJNBAISSZRNGTM-QUCCMNQESA-N 1 1 454.987 3.551 50 0 JHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O ZINC000008933561 554827788 /nfs/dbraw/zinc/82/77/88/554827788.db2.gz IATFNDONVHMEDQ-FQEVSTJZSA-N 1 1 477.996 3.653 50 0 JHAAMO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000008984610 554848407 /nfs/dbraw/zinc/84/84/07/554848407.db2.gz WQPNHBSYDQTMPO-SANMLTNESA-N 1 1 470.569 3.975 50 0 JHAAMO CC[C@@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl ZINC000009124541 554915857 /nfs/dbraw/zinc/91/58/57/554915857.db2.gz FBLAUQDZTAXOGF-CQSZACIVSA-N 1 1 464.397 3.553 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl ZINC000009124541 554915860 /nfs/dbraw/zinc/91/58/60/554915860.db2.gz FBLAUQDZTAXOGF-CQSZACIVSA-N 1 1 464.397 3.553 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000009211244 554980936 /nfs/dbraw/zinc/98/09/36/554980936.db2.gz AKNCSJRKGWTDMR-OAQYLSRUSA-N 1 1 467.662 3.540 50 0 JHAAMO COC(=O)c1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1 ZINC000009293399 555068845 /nfs/dbraw/zinc/06/88/45/555068845.db2.gz RKNHEBBBRCJPIE-RPWUZVMVSA-N 1 1 451.486 3.981 50 0 JHAAMO COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)Cc3ccccc3)c3ccccc3C(=O)N1CC2 ZINC000009559279 555353782 /nfs/dbraw/zinc/35/37/82/555353782.db2.gz FTIDJGQAIDBFHZ-WUFINQPMSA-N 1 1 499.611 3.789 50 0 JHAAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)Cc2cccc3ccccc32)c1 ZINC000009589442 555402708 /nfs/dbraw/zinc/40/27/08/555402708.db2.gz LROXGVDVIIWUOL-UHFFFAOYSA-N 1 1 494.661 3.803 50 0 JHAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009711854 555434673 /nfs/dbraw/zinc/43/46/73/555434673.db2.gz ONDVIFZQJKRGJN-IBGZPJMESA-N 1 1 453.930 3.858 50 0 JHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009711854 555434676 /nfs/dbraw/zinc/43/46/76/555434676.db2.gz ONDVIFZQJKRGJN-IBGZPJMESA-N 1 1 453.930 3.858 50 0 JHAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000009742737 555474366 /nfs/dbraw/zinc/47/43/66/555474366.db2.gz XBMDIOGDVAWGEG-QHCPKHFHSA-N 1 1 459.612 3.810 50 0 JHAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000009742737 555474370 /nfs/dbraw/zinc/47/43/70/555474370.db2.gz XBMDIOGDVAWGEG-QHCPKHFHSA-N 1 1 459.612 3.810 50 0 JHAAMO O=C(CSc1nnnn1-c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019842826 555509572 /nfs/dbraw/zinc/50/95/72/555509572.db2.gz BEZVUBUOVCOWNL-UHFFFAOYSA-N 1 1 470.602 3.688 50 0 JHAAMO O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019859466 555519552 /nfs/dbraw/zinc/51/95/52/555519552.db2.gz SLIIEBFMISYURX-UHFFFAOYSA-N 1 1 498.048 3.875 50 0 JHAAMO O[C@@H](COc1cccc2ccccc21)CN1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000019904796 555536125 /nfs/dbraw/zinc/53/61/25/555536125.db2.gz LKWBMXGQWBQVQD-CLJLJLNGSA-N 1 1 486.612 3.790 50 0 JHAAMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000013759648 555612514 /nfs/dbraw/zinc/61/25/14/555612514.db2.gz SQXMXBQFMSZHIC-RQXXJAGISA-N 1 1 475.854 3.790 50 0 JHAAMO CCc1nnc(NC(=O)CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000013769010 555613639 /nfs/dbraw/zinc/61/36/39/555613639.db2.gz PDPNBFFVJDDPAX-UHFFFAOYSA-N 1 1 463.607 3.753 50 0 JHAAMO COc1ccc([C@@H]2[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000020108967 555644304 /nfs/dbraw/zinc/64/43/04/555644304.db2.gz WFWGWLDBQDVJGS-KAYWLYCHSA-N 1 1 469.585 3.950 50 0 JHAAMO Cc1ccsc1C[N@@H+](C)[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000014093097 555685573 /nfs/dbraw/zinc/68/55/73/555685573.db2.gz YUUBWFDJHXOFDI-DEOSSOPVSA-N 1 1 499.658 3.889 50 0 JHAAMO Cc1ccsc1C[N@H+](C)[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000014093097 555685576 /nfs/dbraw/zinc/68/55/76/555685576.db2.gz YUUBWFDJHXOFDI-DEOSSOPVSA-N 1 1 499.658 3.889 50 0 JHAAMO CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000014095888 555688637 /nfs/dbraw/zinc/68/86/37/555688637.db2.gz BOCNGYJWEADISX-NRFANRHFSA-N 1 1 476.668 3.764 50 0 JHAAMO CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000014095888 555688639 /nfs/dbraw/zinc/68/86/39/555688639.db2.gz BOCNGYJWEADISX-NRFANRHFSA-N 1 1 476.668 3.764 50 0 JHAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000014186324 555727566 /nfs/dbraw/zinc/72/75/66/555727566.db2.gz FYRMMSBIWDLHIA-UHFFFAOYSA-N 1 1 479.602 3.589 50 0 JHAAMO CCOC(=O)C1CC[NH+](Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)c2ccco2)CC1 ZINC000011782469 555813084 /nfs/dbraw/zinc/81/30/84/555813084.db2.gz PUAXQVJWLAVNIR-UHFFFAOYSA-N 1 1 471.535 3.703 50 0 JHAAMO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@H+](Cc1cc3ccccc3s1)CC2 ZINC000020599430 555841002 /nfs/dbraw/zinc/84/10/02/555841002.db2.gz FAIIOKLJQXUHBN-UHFFFAOYSA-N 1 1 463.582 3.592 50 0 JHAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1ccc(OCc3ccccc3)cc1)CC2)c1cccc(F)c1 ZINC000020600294 555841765 /nfs/dbraw/zinc/84/17/65/555841765.db2.gz YWLIUJBPMYHEDC-UHFFFAOYSA-N 1 1 485.563 3.985 50 0 JHAAMO O=C1c2cccc(N3CC[NH+](Cc4ccccc4F)CC3)c2C(=O)N1C[C@@H]1COc2ccccc2O1 ZINC000015069392 555869185 /nfs/dbraw/zinc/86/91/85/555869185.db2.gz JVZQIPQAPJVXQX-HXUWFJFHSA-N 1 1 487.531 3.584 50 0 JHAAMO CC(=O)N1C[C@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)Oc2ccccc21 ZINC000022226808 555885935 /nfs/dbraw/zinc/88/59/35/555885935.db2.gz QIMHGANADSEHNB-AREMUKBSSA-N 1 1 455.558 3.734 50 0 JHAAMO Cc1cc(I)ccc1NC(=O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000015524300 555912998 /nfs/dbraw/zinc/91/29/98/555912998.db2.gz JJPGYQMBKUSKPM-UHFFFAOYSA-N 1 1 491.373 3.567 50 0 JHAAMO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000015548209 555914864 /nfs/dbraw/zinc/91/48/64/555914864.db2.gz PNSRDTAROAOJGO-HSZRJFAPSA-N 1 1 457.596 3.645 50 0 JHAAMO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000015548209 555914866 /nfs/dbraw/zinc/91/48/66/555914866.db2.gz PNSRDTAROAOJGO-HSZRJFAPSA-N 1 1 457.596 3.645 50 0 JHAAMO COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](CC2CCCCC2)CC3)o1 ZINC000012150621 555922742 /nfs/dbraw/zinc/92/27/42/555922742.db2.gz FZCHSMGGGUDCMT-NRFANRHFSA-N 1 1 457.619 3.973 50 0 JHAAMO Cc1ccc(C(=O)NCCCOc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)s1 ZINC000012191357 555938892 /nfs/dbraw/zinc/93/88/92/555938892.db2.gz OBAYZLCCOCDLKY-UHFFFAOYSA-N 1 1 450.608 3.973 50 0 JHAAMO CCC(CC)[C@@H](CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)[NH+]1CCOCC1 ZINC000022755881 555954148 /nfs/dbraw/zinc/95/41/48/555954148.db2.gz OSBICXUDKSKBEK-BJKOFHAPSA-N 1 1 496.677 3.824 50 0 JHAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)NCCc4ccc(C)cc4)C3)n2)cc1OC ZINC000015726189 555963909 /nfs/dbraw/zinc/96/39/09/555963909.db2.gz BKUKOYWTBQQXLA-NRFANRHFSA-N 1 1 464.566 3.633 50 0 JHAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)NCCc4ccc(C)cc4)C3)n2)cc1OC ZINC000015726189 555963911 /nfs/dbraw/zinc/96/39/11/555963911.db2.gz BKUKOYWTBQQXLA-NRFANRHFSA-N 1 1 464.566 3.633 50 0 JHAAMO CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022913928 555968957 /nfs/dbraw/zinc/96/89/57/555968957.db2.gz HCPXCVOPFWOTGJ-UHFFFAOYSA-N 1 1 482.934 3.574 50 0 JHAAMO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)N4CCN(c5ccc(F)cc5)CC4)CC3)cn2)cc1 ZINC000015729856 555970701 /nfs/dbraw/zinc/97/07/01/555970701.db2.gz MIRVNWMQPPGQRH-UHFFFAOYSA-N 1 1 459.569 3.758 50 0 JHAAMO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)N4CCN(c5ccc(F)cc5)CC4)CC3)cn2)cc1 ZINC000015729856 555970703 /nfs/dbraw/zinc/97/07/03/555970703.db2.gz MIRVNWMQPPGQRH-UHFFFAOYSA-N 1 1 459.569 3.758 50 0 JHAAMO C[C@@H]1CSc2ccc(S(=O)(=O)N3CCC(C[N@H+]4CCc5ccccc5C4)CC3)cc2NC1=O ZINC000015731204 555974017 /nfs/dbraw/zinc/97/40/17/555974017.db2.gz XYEFONSKVIIMJQ-GOSISDBHSA-N 1 1 485.675 3.826 50 0 JHAAMO COc1ccc(OC)c(-c2csc(NC(=O)CN3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000022920711 555974673 /nfs/dbraw/zinc/97/46/73/555974673.db2.gz XFGCUSHANZEYRL-UHFFFAOYSA-N 1 1 452.580 3.584 50 0 JHAAMO O=C(CN1CC[NH+](Cn2c(COc3ccccc3)nc3ccccc32)CC1)Nc1cccc(F)c1 ZINC000022924675 555976978 /nfs/dbraw/zinc/97/69/78/555976978.db2.gz ZCJWWYOKWKGUBC-UHFFFAOYSA-N 1 1 473.552 3.968 50 0 JHAAMO COc1ccc(C[N@@H+]2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)c(OC)c1 ZINC000015779687 555998121 /nfs/dbraw/zinc/99/81/21/555998121.db2.gz URCLBVFBAQYJMZ-UHFFFAOYSA-N 1 1 463.557 3.518 50 0 JHAAMO COc1ccc(C[N@H+]2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)c(OC)c1 ZINC000015779687 555998125 /nfs/dbraw/zinc/99/81/25/555998125.db2.gz URCLBVFBAQYJMZ-UHFFFAOYSA-N 1 1 463.557 3.518 50 0 JHAAMO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000012551625 556033572 /nfs/dbraw/zinc/03/35/72/556033572.db2.gz YHYCPVZXWAHTKV-SANMLTNESA-N 1 1 470.573 3.723 50 0 JHAAMO CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1CC[NH+](Cc2ccccc2C)CC1 ZINC000023248775 556034468 /nfs/dbraw/zinc/03/44/68/556034468.db2.gz QABBIYDWEYSNCH-UHFFFAOYSA-N 1 1 453.612 3.663 50 0 JHAAMO COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000012557172 556044690 /nfs/dbraw/zinc/04/46/90/556044690.db2.gz FUHAXIJLNBHIGT-QFIPXVFZSA-N 1 1 453.564 3.529 50 0 JHAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NCc2ccccc2)cc(OC)c1OC ZINC000015953721 556087450 /nfs/dbraw/zinc/08/74/50/556087450.db2.gz SGGYYSCWAPCMGF-NKPLSRDGSA-N 1 1 468.594 3.697 50 0 biogenic JHAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NCc2ccccc2)cc(OC)c1OC ZINC000015953721 556087451 /nfs/dbraw/zinc/08/74/51/556087451.db2.gz SGGYYSCWAPCMGF-NKPLSRDGSA-N 1 1 468.594 3.697 50 0 biogenic JHAAMO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NCc2ccccc2)cc(OC)c1OC ZINC000015953720 556087523 /nfs/dbraw/zinc/08/75/23/556087523.db2.gz SGGYYSCWAPCMGF-FZBZCGEPSA-N 1 1 468.594 3.697 50 0 JHAAMO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NCc2ccccc2)cc(OC)c1OC ZINC000015953720 556087526 /nfs/dbraw/zinc/08/75/26/556087526.db2.gz SGGYYSCWAPCMGF-FZBZCGEPSA-N 1 1 468.594 3.697 50 0 JHAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001920 556107298 /nfs/dbraw/zinc/10/72/98/556107298.db2.gz DXTOYFRFQKMZLK-UAKAABGRSA-N 1 1 453.901 3.527 50 0 JHAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016012676 556111660 /nfs/dbraw/zinc/11/16/60/556111660.db2.gz WYVDJKTXZNTTHU-WYNJNVBPSA-N 1 1 451.526 3.888 50 0 JHAAMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000016400673 556137732 /nfs/dbraw/zinc/13/77/32/556137732.db2.gz VEXIVKFLAHAPLJ-UHFFFAOYSA-N 1 1 493.629 3.543 50 0 JHAAMO Cc1ccc(CCC2CC[NH+](CC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)CC2)cc1 ZINC000024841039 556159939 /nfs/dbraw/zinc/15/99/39/556159939.db2.gz OYPPIFHPOOVMJV-UHFFFAOYSA-N 1 1 457.640 3.837 50 0 JHAAMO O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012978594 556171183 /nfs/dbraw/zinc/17/11/83/556171183.db2.gz XANQMSNRIQWVRZ-UHFFFAOYSA-N 1 1 499.007 3.879 50 0 JHAAMO Cc1cc(Br)cc(Cl)c1OCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000012998983 556191568 /nfs/dbraw/zinc/19/15/68/556191568.db2.gz INCWXEXHFDXPTH-UHFFFAOYSA-N 1 1 467.791 3.938 50 0 JHAAMO O=C(CCc1csc(NC(=O)NC2CCCCC2)n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016978479 556194832 /nfs/dbraw/zinc/19/48/32/556194832.db2.gz YFCGZOFQLORNOJ-UHFFFAOYSA-N 1 1 455.628 3.874 50 0 JHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)CC3)n2)cc1 ZINC000017012228 556202013 /nfs/dbraw/zinc/20/20/13/556202013.db2.gz TXEFMXRFZROUKI-UHFFFAOYSA-N 1 1 493.564 3.525 50 0 JHAAMO CCOC(=O)C1CC[NH+]([C@H](c2cccnc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000017296982 556252440 /nfs/dbraw/zinc/25/24/40/556252440.db2.gz UYARGMGCQYIUHE-RUZDIDTESA-N 1 1 461.562 3.670 50 0 JHAAMO COC(=O)c1ccccc1-n1ncc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(Cl)c1=O ZINC000029411084 556351932 /nfs/dbraw/zinc/35/19/32/556351932.db2.gz GKWCVYCFWBYUIB-UHFFFAOYSA-N 1 1 470.932 3.524 50 0 JHAAMO COC(=O)c1ccccc1-n1ncc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(Cl)c1=O ZINC000029411084 556351933 /nfs/dbraw/zinc/35/19/33/556351933.db2.gz GKWCVYCFWBYUIB-UHFFFAOYSA-N 1 1 470.932 3.524 50 0 JHAAMO COc1cc(=O)n2c(c1C(=O)N(C)[C@H](C)c1ccco1)CC[N@H+](Cc1ccc(C)c(C)c1)CC2 ZINC000019740372 556364200 /nfs/dbraw/zinc/36/42/00/556364200.db2.gz AAAZJUSBAJVANU-HXUWFJFHSA-N 1 1 463.578 3.958 50 0 JHAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)cc2)CC1 ZINC000032915634 556539319 /nfs/dbraw/zinc/53/93/19/556539319.db2.gz OBEDGDTVSKWNJG-UHFFFAOYSA-N 1 1 484.666 3.559 50 0 JHAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(NCCc3ccc(S(N)(=O)=O)s3)c2c1C ZINC000032927090 556544379 /nfs/dbraw/zinc/54/43/79/556544379.db2.gz AFTVXIWPKMMIIJ-UHFFFAOYSA-N 1 1 479.697 3.904 50 0 JHAAMO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1 ZINC000036384574 563128520 /nfs/dbraw/zinc/12/85/20/563128520.db2.gz ABROOOZQBGVEKG-WXVAWEFUSA-N 1 1 477.557 3.878 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)c2ccoc2)C1 ZINC000055253331 569591523 /nfs/dbraw/zinc/59/15/23/569591523.db2.gz QJCKRVGJOYESTC-AWEZNQCLSA-N 1 1 471.535 3.703 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)c2ccoc2)C1 ZINC000055253331 569591524 /nfs/dbraw/zinc/59/15/24/569591524.db2.gz QJCKRVGJOYESTC-AWEZNQCLSA-N 1 1 471.535 3.703 50 0 JHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000032974058 569605318 /nfs/dbraw/zinc/60/53/18/569605318.db2.gz MEQPJFAZBLCVFP-NRFANRHFSA-N 1 1 470.079 3.902 50 0 JHAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)O2 ZINC000032984084 569607250 /nfs/dbraw/zinc/60/72/50/569607250.db2.gz JCARJWCAFUWSHX-RRAHZORUSA-N 1 1 496.611 3.996 50 0 JHAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1cc(C)cc2C ZINC000061943430 569609373 /nfs/dbraw/zinc/60/93/73/569609373.db2.gz UJPDBNVSNRGNTJ-PNOLHXSVSA-N 1 1 479.964 3.705 50 0 JHAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000061999427 569609940 /nfs/dbraw/zinc/60/99/40/569609940.db2.gz QGQQSQTZVVSZHK-PJWZMHGESA-N 1 1 467.525 3.857 50 0 biogenic JHAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000061999427 569609941 /nfs/dbraw/zinc/60/99/41/569609941.db2.gz QGQQSQTZVVSZHK-PJWZMHGESA-N 1 1 467.525 3.857 50 0 biogenic JHAAMO COC(=O)Cn1c2cc(Cl)ccc2cc(CNC2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000064167064 569616333 /nfs/dbraw/zinc/61/63/33/569616333.db2.gz HUXOUNCZGCMDKL-UHFFFAOYSA-N 1 1 453.970 3.582 50 0 JHAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000033331775 569624366 /nfs/dbraw/zinc/62/43/66/569624366.db2.gz QVHMJYWULQBKQH-UHFFFAOYSA-N 1 1 454.527 3.619 50 0 JHAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000033331775 569624367 /nfs/dbraw/zinc/62/43/67/569624367.db2.gz QVHMJYWULQBKQH-UHFFFAOYSA-N 1 1 454.527 3.619 50 0 JHAAMO CCOC(=O)C1CCN(C(=O)c2cccc(C[NH+]3CCN(c4ccc(F)cc4)CC3)c2)CC1 ZINC000034668742 569640730 /nfs/dbraw/zinc/64/07/30/569640730.db2.gz CJPNGABPWYHBFH-UHFFFAOYSA-N 1 1 453.558 3.563 50 0 JHAAMO O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCC[N@@H+](Cc3cccnc3)CC2)nc1 ZINC000034681712 569643497 /nfs/dbraw/zinc/64/34/97/569643497.db2.gz AFZBSFULPDJZLL-UHFFFAOYSA-N 1 1 451.958 3.860 50 0 JHAAMO COc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccccc2Cl)CC3)c1 ZINC000034757586 569656915 /nfs/dbraw/zinc/65/69/15/569656915.db2.gz CBQQXKHSXLEUBS-UHFFFAOYSA-N 1 1 493.995 3.881 50 0 JHAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034786974 569659486 /nfs/dbraw/zinc/65/94/86/569659486.db2.gz JMICBNYTBGTKTP-SANMLTNESA-N 1 1 459.615 3.989 50 0 JHAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034786974 569659487 /nfs/dbraw/zinc/65/94/87/569659487.db2.gz JMICBNYTBGTKTP-SANMLTNESA-N 1 1 459.615 3.989 50 0 JHAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000034787626 569659770 /nfs/dbraw/zinc/65/97/70/569659770.db2.gz JXHJMKSRIPMHSJ-AREMUKBSSA-N 1 1 459.615 3.989 50 0 JHAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000034787626 569659771 /nfs/dbraw/zinc/65/97/71/569659771.db2.gz JXHJMKSRIPMHSJ-AREMUKBSSA-N 1 1 459.615 3.989 50 0 JHAAMO CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)ccc21 ZINC000034894765 569669470 /nfs/dbraw/zinc/66/94/70/569669470.db2.gz BVIWZKHWNYMUSK-PMACEKPBSA-N 1 1 462.594 3.712 50 0 JHAAMO CC[NH+]1CCN(c2ccc(NC(=O)C3CCC3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000034919636 569672141 /nfs/dbraw/zinc/67/21/41/569672141.db2.gz SHIDCMJCMVNIER-XMMPIXPASA-N 1 1 496.677 3.923 50 0 JHAAMO CCOc1cc([C@@H]2NC(=O)N=C(C[NH+]3CCC(Cc4ccccc4)CC3)C2C(=O)OC)ccc1O ZINC000067285612 569683316 /nfs/dbraw/zinc/68/33/16/569683316.db2.gz BEPZLAWTOHYWDG-VWLOTQADSA-N 1 1 479.577 3.527 50 0 JHAAMO CCOc1cc([C@@H]2NC(=O)NC(C[NH+]3CCC(Cc4ccccc4)CC3)=C2C(=O)OC)ccc1O ZINC000067285612 569683320 /nfs/dbraw/zinc/68/33/20/569683320.db2.gz BEPZLAWTOHYWDG-VWLOTQADSA-N 1 1 479.577 3.527 50 0 JHAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(Br)cc3C)[nH]c(=O)c2C1 ZINC000067291891 569685946 /nfs/dbraw/zinc/68/59/46/569685946.db2.gz SHYKTXWWLGMQPD-UHFFFAOYSA-N 1 1 451.390 3.752 50 0 JHAAMO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC3(CC2)NC(c2ccc(OC(F)(F)F)cc2)=NO3)cc1 ZINC000067317664 569686916 /nfs/dbraw/zinc/68/69/16/569686916.db2.gz BIKHPUKIQZPMDQ-KRWDZBQOSA-N 1 1 476.499 3.845 50 0 JHAAMO COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000035399625 569689874 /nfs/dbraw/zinc/68/98/74/569689874.db2.gz CFQXEWMWFYJDAB-UHFFFAOYSA-N 1 1 497.617 3.603 50 0 JHAAMO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000069415530 569692927 /nfs/dbraw/zinc/69/29/27/569692927.db2.gz ZUWOGQAZJXZNDU-QHCPKHFHSA-N 1 1 470.013 3.996 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1Cc1ccccc1 ZINC000035561404 569704394 /nfs/dbraw/zinc/70/43/94/569704394.db2.gz NLJZXWGSDIUTGH-HXUWFJFHSA-N 1 1 482.650 3.544 50 0 JHAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NCc2ccccc2)cc(OC)c1OC ZINC000035828022 569712591 /nfs/dbraw/zinc/71/25/91/569712591.db2.gz SGGYYSCWAPCMGF-BBVXACFBSA-N 1 1 468.594 3.697 50 0 JHAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NCc2ccccc2)cc(OC)c1OC ZINC000035828022 569712593 /nfs/dbraw/zinc/71/25/93/569712593.db2.gz SGGYYSCWAPCMGF-BBVXACFBSA-N 1 1 468.594 3.697 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035844056 569714735 /nfs/dbraw/zinc/71/47/35/569714735.db2.gz OIRQYYWGWGDPGU-ZHSNQQFMSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035844056 569714736 /nfs/dbraw/zinc/71/47/36/569714736.db2.gz OIRQYYWGWGDPGU-ZHSNQQFMSA-N 1 1 456.329 3.733 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(COC)n3-c3ccc(F)cc3)cc2)CC1 ZINC000095546795 569727238 /nfs/dbraw/zinc/72/72/38/569727238.db2.gz XCWGKGWAJFEKTR-UHFFFAOYSA-N 1 1 469.586 3.623 50 0 JHAAMO COc1cc2nc(C3CCC3)nc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2cc1OC ZINC000096602087 569742538 /nfs/dbraw/zinc/74/25/38/569742538.db2.gz WAJNSROPXTXXAE-UHFFFAOYSA-N 1 1 462.550 3.965 50 0 JHAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@H](c3ccccc3Cl)C2)cc1 ZINC000036342250 569765692 /nfs/dbraw/zinc/76/56/92/569765692.db2.gz AAKWFQIWGHGJQX-QHCPKHFHSA-N 1 1 469.969 3.865 50 0 JHAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036344403 569766887 /nfs/dbraw/zinc/76/68/87/569766887.db2.gz PYJDYZXRXCXRDG-SANMLTNESA-N 1 1 482.584 3.911 50 0 JHAAMO O=C(c1cc2cccnc2n(Cc2ccccc2F)c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000036713539 569780389 /nfs/dbraw/zinc/78/03/89/569780389.db2.gz SFOBETAFUXVQKJ-UHFFFAOYSA-N 1 1 456.521 3.542 50 0 JHAAMO CC[NH+]1CCN(C(=O)CCN(Cc2ccco2)C(=O)c2csc(Nc3ccc(F)cc3)n2)CC1 ZINC000037426043 569788980 /nfs/dbraw/zinc/78/89/80/569788980.db2.gz KBQJAZRHVJNARE-UHFFFAOYSA-N 1 1 485.585 3.815 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccc(Cn3c4ccccc4s/c3=N\C(=O)c3ccco3)cc2)CC1 ZINC000037435767 569790045 /nfs/dbraw/zinc/79/00/45/569790045.db2.gz QNNWRLFAAICSIU-RQZHXJHFSA-N 1 1 474.586 3.863 50 0 JHAAMO O=c1occ(C[N@H+]2CCc3ccccc3C2)c([O-])c1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000101411032 569797111 /nfs/dbraw/zinc/79/71/11/569797111.db2.gz PDPQMJWSFGNCBX-UHFFFAOYSA-N 1 1 465.981 3.879 50 0 JHAAMO COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCC[N@@H+]4CCCC[C@H]4C)c3=O)c2c1 ZINC000101497522 569800709 /nfs/dbraw/zinc/80/07/09/569800709.db2.gz KSWPVFMUUOVYTO-MRXNPFEDSA-N 1 1 471.627 3.710 50 0 JHAAMO COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCC[N@H+]4CCCC[C@H]4C)c3=O)c2c1 ZINC000101497522 569800710 /nfs/dbraw/zinc/80/07/10/569800710.db2.gz KSWPVFMUUOVYTO-MRXNPFEDSA-N 1 1 471.627 3.710 50 0 JHAAMO O=C(Cc1csc(NC(=O)c2cnccn2)n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000038740012 569806302 /nfs/dbraw/zinc/80/63/02/569806302.db2.gz IDXIPLJCIUIUDT-UHFFFAOYSA-N 1 1 498.612 3.662 50 0 JHAAMO COc1ccccc1[C@H]1C[N@H+](CCNC(=O)[C@@H](c2cccnc2)N2CCCC2)Cc2ccccc2O1 ZINC000039413208 569809758 /nfs/dbraw/zinc/80/97/58/569809758.db2.gz SLJCRELKIUPRBY-VSGBNLITSA-N 1 1 486.616 3.979 50 0 JHAAMO COc1ccccc1[C@H]1C[N@@H+](CCNC(=O)[C@@H](c2cccnc2)N2CCCC2)Cc2ccccc2O1 ZINC000039413208 569809760 /nfs/dbraw/zinc/80/97/60/569809760.db2.gz SLJCRELKIUPRBY-VSGBNLITSA-N 1 1 486.616 3.979 50 0 JHAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000040135648 569817426 /nfs/dbraw/zinc/81/74/26/569817426.db2.gz QRDRTQHXHFFKMZ-FQEVSTJZSA-N 1 1 460.578 3.873 50 0 JHAAMO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000040150124 569819503 /nfs/dbraw/zinc/81/95/03/569819503.db2.gz YADZVOXZJRIPSY-UHFFFAOYSA-N 1 1 452.986 3.964 50 0 JHAAMO CCC1=C(C(=O)OC)[C@@H](c2cccc(OC)c2)N2C(CC(=O)NCC[C@@H]3CCC[N@H+]3C)=CSC2=N1 ZINC000102763890 569822699 /nfs/dbraw/zinc/82/26/99/569822699.db2.gz VITMDNMPTJWPJD-MHECFPHRSA-N 1 1 498.649 3.824 50 0 JHAAMO CCCc1c(C)nc2nc(-c3ccco3)nn2c1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000046914136 569845226 /nfs/dbraw/zinc/84/52/26/569845226.db2.gz JVPGGTHHABHCHB-UHFFFAOYSA-N 1 1 460.538 3.696 50 0 JHAAMO O=C(NCC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12 ZINC000104915741 569846892 /nfs/dbraw/zinc/84/68/92/569846892.db2.gz QKPRARAMHIBNDS-LADGPHEKSA-N 1 1 473.539 3.974 50 0 JHAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000049574762 569848954 /nfs/dbraw/zinc/84/89/54/569848954.db2.gz GZTPSNIABKRAEH-DKERFCRFSA-N 1 1 485.650 3.917 50 0 JHAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000049574762 569848956 /nfs/dbraw/zinc/84/89/56/569848956.db2.gz GZTPSNIABKRAEH-DKERFCRFSA-N 1 1 485.650 3.917 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2cccn2C)C1 ZINC000105008537 569850359 /nfs/dbraw/zinc/85/03/59/569850359.db2.gz GDMVVNFTBZQECJ-VGOFRKELSA-N 1 1 456.974 3.631 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2cccn2C)C1 ZINC000105008537 569850361 /nfs/dbraw/zinc/85/03/61/569850361.db2.gz GDMVVNFTBZQECJ-VGOFRKELSA-N 1 1 456.974 3.631 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105009538 569850448 /nfs/dbraw/zinc/85/04/48/569850448.db2.gz BPMLXUXMNBTWDY-NTKDMRAZSA-N 1 1 497.567 3.796 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105009538 569850449 /nfs/dbraw/zinc/85/04/49/569850449.db2.gz BPMLXUXMNBTWDY-NTKDMRAZSA-N 1 1 497.567 3.796 50 0 JHAAMO CC[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H](CC)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000106409177 569854205 /nfs/dbraw/zinc/85/42/05/569854205.db2.gz AAADDBJELVCHDF-OFNKIYASSA-N 1 1 459.594 3.866 50 0 JHAAMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)C[C@@H](C)O1 ZINC000227613701 570040264 /nfs/dbraw/zinc/04/02/64/570040264.db2.gz CQSJGFJXTDQKOE-MBOZVWFJSA-N 1 1 469.586 3.849 50 0 JHAAMO FC(F)(F)c1ccnc(N2CCN(C3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)CC2)c1 ZINC000240104274 570052742 /nfs/dbraw/zinc/05/27/42/570052742.db2.gz UNZNQRSIXHOTOQ-HXUWFJFHSA-N 1 1 462.516 3.527 50 0 JHAAMO FC(F)(F)c1ccnc(N2CCN(C3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)CC2)c1 ZINC000240104273 570052759 /nfs/dbraw/zinc/05/27/59/570052759.db2.gz UNZNQRSIXHOTOQ-FQEVSTJZSA-N 1 1 462.516 3.527 50 0 JHAAMO FC(F)(F)c1ccc(N2CCN(C3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)CC2)nc1 ZINC000240122684 570052966 /nfs/dbraw/zinc/05/29/66/570052966.db2.gz WGXHLKRHMPJGAM-HXUWFJFHSA-N 1 1 462.516 3.527 50 0 JHAAMO CCC[C@@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000245326543 570064997 /nfs/dbraw/zinc/06/49/97/570064997.db2.gz FZCWRTHGQAJSSU-NFBKMPQASA-N 1 1 478.630 3.892 50 0 JHAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000247987966 570072269 /nfs/dbraw/zinc/07/22/69/570072269.db2.gz KYDUSBNYMHZKCJ-NYHFZMIOSA-N 1 1 475.661 3.624 50 0 JHAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000247987966 570072270 /nfs/dbraw/zinc/07/22/70/570072270.db2.gz KYDUSBNYMHZKCJ-NYHFZMIOSA-N 1 1 475.661 3.624 50 0 JHAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000249680925 570078599 /nfs/dbraw/zinc/07/85/99/570078599.db2.gz AYRAODBRFZDFIE-DELVEFKNSA-N 1 1 451.526 3.685 50 0 JHAAMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H]1C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]31)[C@H](C)C2 ZINC000252694019 570094746 /nfs/dbraw/zinc/09/47/46/570094746.db2.gz HEAXKDZPAXOEMH-PHJLRORCSA-N 1 1 455.595 3.735 50 0 biogenic JHAAMO COC(=O)c1sc2nc(C[N@H+](C)Cc3ccco3)ccc2c1NC(=O)c1cc(C)nn1C ZINC000299777935 570176116 /nfs/dbraw/zinc/17/61/16/570176116.db2.gz GBJZSTIJOFTETR-UHFFFAOYSA-N 1 1 453.524 3.602 50 0 JHAAMO COC(=O)c1sc2nc(C[N@@H+](C)Cc3ccco3)ccc2c1NC(=O)c1cc(C)nn1C ZINC000299777935 570176117 /nfs/dbraw/zinc/17/61/17/570176117.db2.gz GBJZSTIJOFTETR-UHFFFAOYSA-N 1 1 453.524 3.602 50 0 JHAAMO CCOc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000003670317 194357849 /nfs/dbraw/zinc/35/78/49/194357849.db2.gz IVFXRQUXIJJESK-MUUNZHRXSA-N 1 1 488.588 3.921 50 0 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O=C(CN1c2cc(Cl)ccc2Oc2ncccc2C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020927822 195249517 /nfs/dbraw/zinc/24/95/17/195249517.db2.gz YJDKXCLXOLRMQH-UHFFFAOYSA-N 1 1 462.937 3.832 50 0 JHAAMO O=C(Cc1ccc(N2CCNC2=O)cc1)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccsc2)C1 ZINC000020995489 195264179 /nfs/dbraw/zinc/26/41/79/195264179.db2.gz UKSXXEGFLRSXIQ-DEOSSOPVSA-N 1 1 476.602 3.572 50 0 JHAAMO O=C(Cc1ccc(N2CCNC2=O)cc1)NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccsc2)C1 ZINC000020995489 195264181 /nfs/dbraw/zinc/26/41/81/195264181.db2.gz UKSXXEGFLRSXIQ-DEOSSOPVSA-N 1 1 476.602 3.572 50 0 JHAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C1=Cc2cc(Br)ccc2OC1 ZINC000021095849 195275333 /nfs/dbraw/zinc/27/53/33/195275333.db2.gz AEQSUBPTXMLOLH-UHFFFAOYSA-N 1 1 470.411 3.549 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000057998830 195361541 /nfs/dbraw/zinc/36/15/41/195361541.db2.gz GSRBGKRTOYLXKL-UHFFFAOYSA-N 1 1 485.604 3.904 50 0 JHAAMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 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/nfs/dbraw/zinc/05/59/80/554055980.db2.gz FWPOSECRGQPCGI-UHFFFAOYSA-N 1 1 474.561 3.852 50 0 biogenic JHAAMO Cc1oc(-c2ccccc2C)nc1CS(=O)(=O)CC(=O)NCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000006578097 554554089 /nfs/dbraw/zinc/55/40/89/554554089.db2.gz NBXBWBXEBMGWHT-KDURUIRLSA-N 1 1 461.628 3.642 50 0 JHAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N1CCc2cc(OC)c(OC)cc2C1 ZINC000008856864 554752967 /nfs/dbraw/zinc/75/29/67/554752967.db2.gz STCFINHHCXKXIR-LADGPHEKSA-N 1 1 452.595 3.906 50 0 JHAAMO COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000008856864 554752971 /nfs/dbraw/zinc/75/29/71/554752971.db2.gz STCFINHHCXKXIR-LADGPHEKSA-N 1 1 452.595 3.906 50 0 JHAAMO COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000008856864 554752972 /nfs/dbraw/zinc/75/29/72/554752972.db2.gz STCFINHHCXKXIR-LADGPHEKSA-N 1 1 452.595 3.906 50 0 JHAAMO CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCC[NH+](CC)CC)s1 ZINC000008912479 554802644 /nfs/dbraw/zinc/80/26/44/554802644.db2.gz SGWWPKJNLNLHGP-UHFFFAOYSA-N 1 1 473.686 3.612 50 0 JHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncc2c3ccccc3n(Cc3c(C)cc(C)cc3C)c2c1=O ZINC000008933290 554827128 /nfs/dbraw/zinc/82/71/28/554827128.db2.gz WZBJOTRFBLKGCG-JOCHJYFZSA-N 1 1 485.632 3.925 50 0 JHAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(CN2CCOCC2)cc1 ZINC000008939578 554831538 /nfs/dbraw/zinc/83/15/38/554831538.db2.gz SOSJKQYLXVWPGN-FQEVSTJZSA-N 1 1 450.608 3.947 50 0 JHAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(CN2CCOCC2)cc1 ZINC000008939578 554831541 /nfs/dbraw/zinc/83/15/41/554831541.db2.gz SOSJKQYLXVWPGN-FQEVSTJZSA-N 1 1 450.608 3.947 50 0 JHAAMO CCCn1c2ccccc2c2cnn(CC(=O)NCC[N@@H+](Cc3ccccc3)C(C)C)c(=O)c21 ZINC000009153455 554943211 /nfs/dbraw/zinc/94/32/11/554943211.db2.gz WVRBDGBSLCEBIJ-UHFFFAOYSA-N 1 1 459.594 3.788 50 0 JHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000009211245 554980994 /nfs/dbraw/zinc/98/09/94/554980994.db2.gz AKNCSJRKGWTDMR-NRFANRHFSA-N 1 1 467.662 3.540 50 0 JHAAMO CCC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(OC)cc2)CC1 ZINC000009265385 555041344 /nfs/dbraw/zinc/04/13/44/555041344.db2.gz WCCWLWDPUXXYPQ-UHFFFAOYSA-N 1 1 451.523 3.627 50 0 JHAAMO CC[N@@H+](CCCNC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1)Cc1ccccc1 ZINC000009265730 555041697 /nfs/dbraw/zinc/04/16/97/555041697.db2.gz ZPOLPCLCWAQYMT-UHFFFAOYSA-N 1 1 452.628 3.574 50 0 JHAAMO COc1ccc(CCNc2nc3[nH]nc(N)c3c3c2C[N@@H+](C2CCCCC2)CC3)cc1OC ZINC000009488510 555263616 /nfs/dbraw/zinc/26/36/16/555263616.db2.gz STPSBKOESYKTND-UHFFFAOYSA-N 1 1 450.587 3.903 50 0 JHAAMO COc1ccc(CCNc2nc3[nH]nc(N)c3c3c2C[N@H+](C2CCCCC2)CC3)cc1OC ZINC000009488510 555263617 /nfs/dbraw/zinc/26/36/17/555263617.db2.gz STPSBKOESYKTND-UHFFFAOYSA-N 1 1 450.587 3.903 50 0 JHAAMO O=c1cc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)nc2ccc(Br)cn12 ZINC000009512165 555301916 /nfs/dbraw/zinc/30/19/16/555301916.db2.gz BKFCSCNNMIUVMB-SFHVURJKSA-N 1 1 456.340 3.955 50 0 JHAAMO COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)c2)cc1 ZINC000009516190 555307877 /nfs/dbraw/zinc/30/78/77/555307877.db2.gz WPDBCKDYQXCZJA-QHCPKHFHSA-N 1 1 483.590 3.680 50 0 JHAAMO C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000009640866 555351309 /nfs/dbraw/zinc/35/13/09/555351309.db2.gz ZRWHBTONCAVWFY-CYFREDJKSA-N 1 1 479.602 3.986 50 0 JHAAMO O=C(NCc1ccc2c(c1)OCO2)c1nnc(-c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)o1 ZINC000013364280 555388273 /nfs/dbraw/zinc/38/82/73/555388273.db2.gz BNPJNHSNQHBGPB-UHFFFAOYSA-N 1 1 468.513 3.954 50 0 JHAAMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N1CCCC1 ZINC000009712493 555437109 /nfs/dbraw/zinc/43/71/09/555437109.db2.gz MJEQWSRLFSHZOL-SFHVURJKSA-N 1 1 463.625 3.707 50 0 JHAAMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N1CCCC1 ZINC000009712493 555437112 /nfs/dbraw/zinc/43/71/12/555437112.db2.gz MJEQWSRLFSHZOL-SFHVURJKSA-N 1 1 463.625 3.707 50 0 JHAAMO Cc1c(C)n(CC[NH+]2CCOCC2)c2ncn3nc(CSc4nc5ccccc5s4)nc3c12 ZINC000013608791 555532542 /nfs/dbraw/zinc/53/25/42/555532542.db2.gz IRBFSEPEOZSIQE-UHFFFAOYSA-N 1 1 479.635 3.930 50 0 JHAAMO Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019900207 555535462 /nfs/dbraw/zinc/53/54/62/555535462.db2.gz QGZSRVQISPIELR-UHFFFAOYSA-N 1 1 479.602 3.519 50 0 JHAAMO CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]12 ZINC000013719833 555595566 /nfs/dbraw/zinc/59/55/66/555595566.db2.gz VNOWCQLTELBJEK-XTGAJNFRSA-N 1 1 494.526 3.515 50 0 JHAAMO O[C@H](COc1c(F)cc(Br)cc1F)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020109680 555645617 /nfs/dbraw/zinc/64/56/17/555645617.db2.gz HKTSMXZCGDFBOM-INIZCTEOSA-N 1 1 461.734 3.943 50 0 JHAAMO C[C@@H](OC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014070069 555678299 /nfs/dbraw/zinc/67/82/99/555678299.db2.gz CMQXFEQANXFBTE-OAQYLSRUSA-N 1 1 456.542 3.807 50 0 JHAAMO COc1ccc(-n2c3ccccc3nc(CCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2=O)cc1 ZINC000014227809 555735491 /nfs/dbraw/zinc/73/54/91/555735491.db2.gz JPSBXVWKPDLGGY-QFIPXVFZSA-N 1 1 482.584 3.718 50 0 JHAAMO C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccccc1-c1ccco1)CC2 ZINC000011782614 555813397 /nfs/dbraw/zinc/81/33/97/555813397.db2.gz FCJGJLSUQRQIDK-HXUWFJFHSA-N 1 1 471.561 3.853 50 0 JHAAMO C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H](Sc3nc4ccccc4[nH]3)CN2Cc2ccc(F)cc2F)CC1 ZINC000011784920 555817022 /nfs/dbraw/zinc/81/70/22/555817022.db2.gz YERXNTQZGLNLBK-XXBNENTESA-N 1 1 485.604 3.740 50 0 JHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccc(C)cc4)nc32)CC1 ZINC000020564313 555817346 /nfs/dbraw/zinc/81/73/46/555817346.db2.gz OCSOOMINOLRHGB-QHCPKHFHSA-N 1 1 475.641 3.558 50 0 JHAAMO COc1cc(CN2CCC(c3nnc(SCC[NH+]4CCCCC4)n3C)CC2)cc2c1OCO2 ZINC000011813604 555829226 /nfs/dbraw/zinc/82/92/26/555829226.db2.gz NMNOENCUFAXGGD-UHFFFAOYSA-N 1 1 473.643 3.510 50 0 JHAAMO Cc1oc(-c2cccc(NC(=O)[C@@H]3CCC[N@H+](C)C3)c2)nc1CNC(=O)Cc1ccc2c(c1)OCO2 ZINC000011881012 555849273 /nfs/dbraw/zinc/84/92/73/555849273.db2.gz AXDIEZGHEJSARW-HXUWFJFHSA-N 1 1 490.560 3.518 50 0 JHAAMO Cn1cc(C[N@@H+](C)Cc2ccc(OC3CCN(C(=O)[C@H]4CCOC(C)(C)C4)CC3)cc2)cn1 ZINC000015072030 555871090 /nfs/dbraw/zinc/87/10/90/555871090.db2.gz MMSUMSCUBBQMMB-QFIPXVFZSA-N 1 1 454.615 3.627 50 0 JHAAMO COc1ccccc1[C@H]1C[N@H+](CCNC(=O)c2ccc3c(c2)OCCO3)Cc2ccccc2O1 ZINC000011970188 555873664 /nfs/dbraw/zinc/87/36/64/555873664.db2.gz SIAYXPACFAWEFH-AREMUKBSSA-N 1 1 460.530 3.832 50 0 JHAAMO COc1ccccc1[C@H]1C[N@@H+](CCNC(=O)c2ccc3c(c2)OCCO3)Cc2ccccc2O1 ZINC000011970188 555873669 /nfs/dbraw/zinc/87/36/69/555873669.db2.gz SIAYXPACFAWEFH-AREMUKBSSA-N 1 1 460.530 3.832 50 0 JHAAMO COc1cccc(CNc2ncnc3sc(C(=O)N4CCC([N@H+]5CCC[C@@H](O)C5)CC4)c(C)c32)c1 ZINC000011996109 555878173 /nfs/dbraw/zinc/87/81/73/555878173.db2.gz RXVNJDQJVNIRDM-HXUWFJFHSA-N 1 1 495.649 3.682 50 0 JHAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](Cc2cccc(Oc4ccccc4)c2)CC3)o1 ZINC000012150197 555922240 /nfs/dbraw/zinc/92/22/40/555922240.db2.gz RDFHGSVJNSGACF-UHFFFAOYSA-N 1 1 487.560 3.798 50 0 JHAAMO COc1cccc(C(=O)N[C@H](C)c2nnc3n2CC[N@H+](Cc2ccc(OC(C)C)cc2)CC3)c1 ZINC000012190320 555937451 /nfs/dbraw/zinc/93/74/51/555937451.db2.gz WTXYOCIVTKWOJF-LJQANCHMSA-N 1 1 463.582 3.623 50 0 JHAAMO CCOc1ccc(CCNC(=O)[C@@H]2CCC[N@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1 ZINC000015726214 555964011 /nfs/dbraw/zinc/96/40/11/555964011.db2.gz MMCYFGRVTYCWEG-OAQYLSRUSA-N 1 1 494.592 3.723 50 0 JHAAMO CCOc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1 ZINC000015726214 555964012 /nfs/dbraw/zinc/96/40/12/555964012.db2.gz MMCYFGRVTYCWEG-OAQYLSRUSA-N 1 1 494.592 3.723 50 0 JHAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N(C)c4cccc(C)c4)CC3)n2)cc1OC ZINC000015726366 555964855 /nfs/dbraw/zinc/96/48/55/555964855.db2.gz DWFRIESYKDWWQL-UHFFFAOYSA-N 1 1 450.539 3.937 50 0 JHAAMO Cc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCCC3)cc1Cl ZINC000022909212 555966898 /nfs/dbraw/zinc/96/68/98/555966898.db2.gz OLWHFWJGMVKRHA-UHFFFAOYSA-N 1 1 491.057 3.537 50 0 JHAAMO O[C@@H](COc1cccc2ccccc21)C[NH+]1CCN(C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000022924215 555976539 /nfs/dbraw/zinc/97/65/39/555976539.db2.gz LKWBMXGQWBQVQD-WMPKNSHKSA-N 1 1 486.612 3.790 50 0 JHAAMO O[C@@H](COc1cccc2ccccc21)CN1CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000022924215 555976540 /nfs/dbraw/zinc/97/65/40/555976540.db2.gz LKWBMXGQWBQVQD-WMPKNSHKSA-N 1 1 486.612 3.790 50 0 JHAAMO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)N2CC[NH+](C)CC2)o1 ZINC000022938490 555991819 /nfs/dbraw/zinc/99/18/19/555991819.db2.gz KTHQTMRDEIBWPN-IBGZPJMESA-N 1 1 473.371 3.724 50 0 JHAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015774034 555992419 /nfs/dbraw/zinc/99/24/19/555992419.db2.gz XZWLKQNPGQBVPU-SANMLTNESA-N 1 1 489.019 3.850 50 0 JHAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012557131 556044556 /nfs/dbraw/zinc/04/45/56/556044556.db2.gz FAQZFLNLCOMHCJ-JOCHJYFZSA-N 1 1 453.539 3.631 50 0 JHAAMO COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)CC3)[nH]c2c1 ZINC000015868686 556046029 /nfs/dbraw/zinc/04/60/29/556046029.db2.gz LOJMUAFEQYXWTO-WOJBJXKFSA-N 1 1 468.642 3.903 50 0 JHAAMO CCN1CC[NH+]([C@H]2CCc3c(sc4ncn(CCc5ccccc5Cl)c(=O)c34)C2)CC1 ZINC000023362200 556049273 /nfs/dbraw/zinc/04/92/73/556049273.db2.gz DELKURYAUIVKBV-SFHVURJKSA-N 1 1 457.043 3.849 50 0 JHAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc(Cl)s2)CC1 ZINC000023656292 556082283 /nfs/dbraw/zinc/08/22/83/556082283.db2.gz QMHMYKCVRDWBDL-UHFFFAOYSA-N 1 1 483.059 3.580 50 0 JHAAMO O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023936203 556102401 /nfs/dbraw/zinc/10/24/01/556102401.db2.gz QIHDPGDJTIHOEI-UHFFFAOYSA-N 1 1 463.603 3.582 50 0 JHAAMO Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001926 556107166 /nfs/dbraw/zinc/10/71/66/556107166.db2.gz UWFRZUWQZYUDEX-DDOIHHOZSA-N 1 1 456.329 3.733 50 0 JHAAMO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016010143 556109429 /nfs/dbraw/zinc/10/94/29/556109429.db2.gz KMKMTPGZUQSQTL-WYNJNVBPSA-N 1 1 451.526 3.833 50 0 JHAAMO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000024573766 556136545 /nfs/dbraw/zinc/13/65/45/556136545.db2.gz BOXKTWQFMVUEQC-JOCHJYFZSA-N 1 1 460.043 3.844 50 0 JHAAMO Cc1cc(I)ccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012979005 556171815 /nfs/dbraw/zinc/17/18/15/556171815.db2.gz WTHRSTGCNDHWMD-MRXNPFEDSA-N 1 1 477.346 3.889 50 0 JHAAMO Cc1cc(I)ccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012979005 556171820 /nfs/dbraw/zinc/17/18/20/556171820.db2.gz WTHRSTGCNDHWMD-MRXNPFEDSA-N 1 1 477.346 3.889 50 0 JHAAMO O=C(COc1ccc(Br)cc1Cl)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000025106724 556179558 /nfs/dbraw/zinc/17/95/58/556179558.db2.gz LKDXFDIAWNMECP-UHFFFAOYSA-N 1 1 453.764 3.630 50 0 JHAAMO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)ccc1C ZINC000012991997 556184519 /nfs/dbraw/zinc/18/45/19/556184519.db2.gz DHASESVIYQUTAL-CVEARBPZSA-N 1 1 453.555 3.982 50 0 JHAAMO COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000012999275 556191869 /nfs/dbraw/zinc/19/18/69/556191869.db2.gz CBAJNVGZQJWYLR-XMMPIXPASA-N 1 1 466.557 3.774 50 0 JHAAMO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000013117612 556328156 /nfs/dbraw/zinc/32/81/56/556328156.db2.gz WTEJSSCINYOOLW-BVAGGSTKSA-N 1 1 470.573 3.723 50 0 JHAAMO O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029072820 556346085 /nfs/dbraw/zinc/34/60/85/556346085.db2.gz KRLDSRISJLPNQG-FQEVSTJZSA-N 1 1 479.524 3.657 50 0 JHAAMO CCOc1cccc(C[N@H+]2CCc3c(C(=O)N(C)Cc4ccsc4)c(OC)cc(=O)n3CC2)c1 ZINC000019740457 556364119 /nfs/dbraw/zinc/36/41/19/556364119.db2.gz QAERWUBLUPBQQA-UHFFFAOYSA-N 1 1 481.618 3.648 50 0 JHAAMO CCOc1cccc(C[N@@H+]2CCc3c(C(=O)N(C)Cc4ccsc4)c(OC)cc(=O)n3CC2)c1 ZINC000019740457 556364121 /nfs/dbraw/zinc/36/41/21/556364121.db2.gz QAERWUBLUPBQQA-UHFFFAOYSA-N 1 1 481.618 3.648 50 0 JHAAMO O=C([C@@H]1CCCN(c2cnccn2)C1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030181041 556364152 /nfs/dbraw/zinc/36/41/52/556364152.db2.gz FCRXUUUAIXIYGP-HXUWFJFHSA-N 1 1 465.598 3.905 50 0 JHAAMO COc1cccc(C[NH+]2CCN(c3cccc4c3C(=O)N([C@@H](C)c3nccs3)C4=O)CC2)c1 ZINC000055225546 569591168 /nfs/dbraw/zinc/59/11/68/569591168.db2.gz JWZOIWBEQKDDPD-KRWDZBQOSA-N 1 1 462.575 3.831 50 0 JHAAMO CCc1c(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c(=O)cc(C)n1Cc1ccc(C)o1 ZINC000055226186 569591215 /nfs/dbraw/zinc/59/12/15/569591215.db2.gz ATEDLSINAMSIOA-DEOSSOPVSA-N 1 1 473.617 3.984 50 0 JHAAMO COC(=O)[C@@H]1CCCC[N@H+]1C1CCN(c2ccc(CC(=O)NCCc3cccc(F)c3)cc2)CC1 ZINC000055183367 569591286 /nfs/dbraw/zinc/59/12/86/569591286.db2.gz TUZNSBKIQUWFCB-SANMLTNESA-N 1 1 481.612 3.723 50 0 JHAAMO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2)cc1 ZINC000057292146 569595991 /nfs/dbraw/zinc/59/59/91/569595991.db2.gz FZNXKZSZWVCQKL-AREMUKBSSA-N 1 1 479.602 3.797 50 0 JHAAMO Cc1cc(=O)c(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)nn1-c1ccccc1C(F)(F)F ZINC000059983526 569608237 /nfs/dbraw/zinc/60/82/37/569608237.db2.gz WPEUVYLEFDLGJL-HNNXBMFYSA-N 1 1 450.505 3.800 50 0 JHAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cccc(Cn3c(=O)c4cccn4c4cccnc43)c2)C1 ZINC000033018556 569618401 /nfs/dbraw/zinc/61/84/01/569618401.db2.gz PJBBCFUIIKQOLL-HXUWFJFHSA-N 1 1 457.578 3.549 50 0 JHAAMO CC(C)COC[C@H](O)C[N@H+]1CCCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000034682283 569643829 /nfs/dbraw/zinc/64/38/29/569643829.db2.gz XLIDQGYGEIKLFV-JOCHJYFZSA-N 1 1 494.558 3.898 50 0 JHAAMO 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GQYLDSFDTZUWRF-UHFFFAOYSA-N 1 1 499.583 3.519 50 0 JHAAMO Cc1cccc(C[NH+]2CCN(C(=O)CN(C)CC(=O)Nc3c(Cl)cccc3Cl)CC2)c1 ZINC000012813921 195146002 /nfs/dbraw/zinc/14/60/02/195146002.db2.gz PEULERRBXDEPRN-UHFFFAOYSA-N 1 1 463.409 3.517 50 0 JHAAMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1OC ZINC000012893949 195174425 /nfs/dbraw/zinc/17/44/25/195174425.db2.gz GUTNIJLVIUPEJD-HNNXBMFYSA-N 1 1 452.477 3.657 50 0 JHAAMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1OC ZINC000012893949 195174426 /nfs/dbraw/zinc/17/44/26/195174426.db2.gz GUTNIJLVIUPEJD-HNNXBMFYSA-N 1 1 452.477 3.657 50 0 JHAAMO C[C@H](NCc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012903590 195178570 /nfs/dbraw/zinc/17/85/70/195178570.db2.gz HBXPIVRXHIVHMY-NRFANRHFSA-N 1 1 484.666 3.574 50 0 JHAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000020782289 195224817 /nfs/dbraw/zinc/22/48/17/195224817.db2.gz PAAQZVNGVQUCCM-UHFFFAOYSA-N 1 1 469.585 3.722 50 0 JHAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)C[C@@H](C)O1 ZINC000021063128 195273542 /nfs/dbraw/zinc/27/35/42/195273542.db2.gz RGCNBGSOFQBYLB-HZPDHXFCSA-N 1 1 498.020 3.898 50 0 JHAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021527877 195306234 /nfs/dbraw/zinc/30/62/34/195306234.db2.gz ZZRZMWPLAPVEGO-UHFFFAOYSA-N 1 1 491.595 3.876 50 0 JHAAMO O=C(CCCN1C(=O)[C@H](c2ccccc2)Oc2cccnc21)NCCC[N@H+]1CCc2ccccc2C1 ZINC000021527799 195306304 /nfs/dbraw/zinc/30/63/04/195306304.db2.gz CBOVWQOKQXATFW-MHZLTWQESA-N 1 1 484.600 3.893 50 0 JHAAMO COc1ccc(-c2noc(N3CCC(C(=O)NC[C@H]4CC[N@@H+](Cc5ccc(C)cc5)C4)CC3)n2)cc1 ZINC000021945039 195340162 /nfs/dbraw/zinc/34/01/62/195340162.db2.gz BDDJQYFTPZAJCN-JOCHJYFZSA-N 1 1 489.620 3.908 50 0 JHAAMO O=C(CN1CCN(C(=O)C[N@@H+](CC2CCCCC2)C2CC2)CC1)Nc1ccccc1C(F)(F)F ZINC000059390939 195398602 /nfs/dbraw/zinc/39/86/02/195398602.db2.gz PROWWMUYEZFDQM-UHFFFAOYSA-N 1 1 480.575 3.833 50 0 JHAAMO CC(C)CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)COCc1ccccc1 ZINC000036159154 519652621 /nfs/dbraw/zinc/65/26/21/519652621.db2.gz WISDSVIIHATGFZ-IBGZPJMESA-N 1 1 455.624 3.899 50 0 JHAAMO CC(C)CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)COCc1ccccc1 ZINC000036159154 519652625 /nfs/dbraw/zinc/65/26/25/519652625.db2.gz WISDSVIIHATGFZ-IBGZPJMESA-N 1 1 455.624 3.899 50 0 JHAAMO CCC[NH+]1CCN(C(=O)CSc2cc(C)nc3c(-c4ccccc4OC)c(C)nn32)CC1 ZINC000020384960 519855831 /nfs/dbraw/zinc/85/58/31/519855831.db2.gz YQCSGOMSMQCWPJ-UHFFFAOYSA-N 1 1 453.612 3.668 50 0 JHAAMO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CCCCC1 ZINC000036156739 519881353 /nfs/dbraw/zinc/88/13/53/519881353.db2.gz OANDWMMBSRAWIB-QGZVFWFLSA-N 1 1 461.628 3.702 50 0 JHAAMO CC[NH+]1CCN(C(=O)C2CCN(C(=O)c3cc4sccc4n3Cc3ccc(F)cc3)CC2)CC1 ZINC000020383114 521662081 /nfs/dbraw/zinc/66/20/81/521662081.db2.gz DSFZTEFUTLHXDA-UHFFFAOYSA-N 1 1 482.625 3.907 50 0 JHAAMO CC[NH+]1CCN(C(=O)[C@@H](C)C2CCN(C(=O)c3sc(-c4ccc(F)cc4)nc3C)CC2)CC1 ZINC000065007026 521666281 /nfs/dbraw/zinc/66/62/81/521666281.db2.gz RVDKDBPAQLLDOM-KRWDZBQOSA-N 1 1 472.630 3.910 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2cccc(Nc3c(Oc4cccc(C)c4C)cnn(C)c3=O)c2)CC1 ZINC000036073274 521671393 /nfs/dbraw/zinc/67/13/93/521671393.db2.gz PTZXNSMTJGHVFN-UHFFFAOYSA-N 1 1 461.566 3.711 50 0 JHAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@@H+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000014886891 522015126 /nfs/dbraw/zinc/01/51/26/522015126.db2.gz WJSOGTGLXKDVHS-UHFFFAOYSA-N 1 1 473.573 3.944 50 0 JHAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@H+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000014886891 522015137 /nfs/dbraw/zinc/01/51/37/522015137.db2.gz WJSOGTGLXKDVHS-UHFFFAOYSA-N 1 1 473.573 3.944 50 0 JHAAMO COC[C@@H](O)C[N@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036207743 522398798 /nfs/dbraw/zinc/39/87/98/522398798.db2.gz HFWJUKWABVIKMW-KRWDZBQOSA-N 1 1 475.611 3.524 50 0 JHAAMO COC[C@@H](O)C[N@@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036207743 522398806 /nfs/dbraw/zinc/39/88/06/522398806.db2.gz HFWJUKWABVIKMW-KRWDZBQOSA-N 1 1 475.611 3.524 50 0 JHAAMO COC(=O)c1sc2nc(C[N@H+](CC(C)C)C[C@@H](O)COc3ccc(Cl)cc3)[nH]c(=O)c2c1C ZINC000036207490 522430556 /nfs/dbraw/zinc/43/05/56/522430556.db2.gz RQKKFEAAHPTILB-MRXNPFEDSA-N 1 1 494.013 3.631 50 0 JHAAMO COC(=O)c1sc2nc(C[N@@H+](CC(C)C)C[C@@H](O)COc3ccc(Cl)cc3)[nH]c(=O)c2c1C ZINC000036207490 522430562 /nfs/dbraw/zinc/43/05/62/522430562.db2.gz RQKKFEAAHPTILB-MRXNPFEDSA-N 1 1 494.013 3.631 50 0 JHAAMO COc1ccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3c(n[nH]c3-c3ccc(F)cc3)n2)cc1 ZINC000033269499 523096491 /nfs/dbraw/zinc/09/64/91/523096491.db2.gz RMEVRQUUEPFVPC-UHFFFAOYSA-N 1 1 489.551 3.892 50 0 JHAAMO COCCC[N@@H+](Cc1nc(=O)c2c(-c3ccccc3C)csc2[nH]1)C[C@@H](O)COC(C)C ZINC000036205812 523268292 /nfs/dbraw/zinc/26/82/92/523268292.db2.gz APCKPIKIQABTSP-GOSISDBHSA-N 1 1 459.612 3.584 50 0 JHAAMO COCCC[N@H+](Cc1nc(=O)c2c(-c3ccccc3C)csc2[nH]1)C[C@@H](O)COC(C)C ZINC000036205812 523268298 /nfs/dbraw/zinc/26/82/98/523268298.db2.gz APCKPIKIQABTSP-GOSISDBHSA-N 1 1 459.612 3.584 50 0 JHAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCCC4=CCCCC4)CC3)n2)cc1OC ZINC000021880534 523286561 /nfs/dbraw/zinc/28/65/61/523286561.db2.gz DVJTXFAXWOQTCI-UHFFFAOYSA-N 1 1 454.571 3.973 50 0 JHAAMO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@H]([NH+]1CCN(c3ccc(C(C)=O)cc3)CC1)C2 ZINC000014744192 523610769 /nfs/dbraw/zinc/61/07/69/523610769.db2.gz NFGVLDRVVDZOGN-DEOSSOPVSA-N 1 1 489.620 3.650 50 0 JHAAMO COCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)[C@@H](C)C(C)(C)O ZINC000036310242 523647743 /nfs/dbraw/zinc/64/77/43/523647743.db2.gz NNRJFUMDJMRWMN-UGKGYDQZSA-N 1 1 460.640 3.669 50 0 JHAAMO CCc1c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(=O)cc(C)n1Cc1ccccc1OC ZINC000014984815 523695250 /nfs/dbraw/zinc/69/52/50/523695250.db2.gz CIOSFIDOCJOCQI-NZQKXSOJSA-N 1 1 451.611 3.770 50 0 JHAAMO C[NH+]1CCN([C@@H](CNc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c2cccs2)CC1 ZINC000022791676 523918724 /nfs/dbraw/zinc/91/87/24/523918724.db2.gz ZIGDGCULDMMHII-INIZCTEOSA-N 1 1 498.962 3.762 50 0 JHAAMO C[NH+]1CCN(c2nc3ccccc3nc2C(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000033086080 523929434 /nfs/dbraw/zinc/92/94/34/523929434.db2.gz DIPIQAOCOBRWPS-UHFFFAOYSA-N 1 1 451.530 3.865 50 0 JHAAMO CCc1ccc(N2CC[C@H](C(=O)NCC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 ZINC000046012242 523964997 /nfs/dbraw/zinc/96/49/97/523964997.db2.gz YCIIDFAYGVRTMJ-HSZRJFAPSA-N 1 1 488.554 3.559 50 0 JHAAMO COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CC[N@H+](Cc2cccc(OC)c2)C3)cc1 ZINC000014753210 523987435 /nfs/dbraw/zinc/98/74/35/523987435.db2.gz LIGXFYACLFPSOX-UHFFFAOYSA-N 1 1 460.578 3.594 50 0 JHAAMO COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CC[N@@H+](Cc2cccc(OC)c2)C3)cc1 ZINC000014753210 523987439 /nfs/dbraw/zinc/98/74/39/523987439.db2.gz LIGXFYACLFPSOX-UHFFFAOYSA-N 1 1 460.578 3.594 50 0 JHAAMO COc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N([C@@H](C)c3nccs3)C4=O)CC2)cc1 ZINC000012244674 524034275 /nfs/dbraw/zinc/03/42/75/524034275.db2.gz IQWKALDVXUDWHQ-KRWDZBQOSA-N 1 1 462.575 3.831 50 0 JHAAMO C[C@H]1CCC[N@@H+](CCNC(=O)C2CCN(c3ccc4nnc(-c5ccc(Cl)cc5)n4n3)CC2)C1 ZINC000033260179 524089223 /nfs/dbraw/zinc/08/92/23/524089223.db2.gz SOIOSMCGULZIPJ-SFHVURJKSA-N 1 1 482.032 3.509 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036256790 524104751 /nfs/dbraw/zinc/10/47/51/524104751.db2.gz REFUMEYOVRLNOT-PXDATVDWSA-N 1 1 472.649 3.523 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000033131365 524105313 /nfs/dbraw/zinc/10/53/13/524105313.db2.gz UROBYJYRGDRKOT-GOSISDBHSA-N 1 1 456.052 3.899 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccccc3)s2)c1 ZINC000033027259 524111249 /nfs/dbraw/zinc/11/12/49/524111249.db2.gz CRJPDWLWSVAUPY-GOSISDBHSA-N 1 1 479.606 3.974 50 0 JHAAMO C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000012282317 524972896 /nfs/dbraw/zinc/97/28/96/524972896.db2.gz HNNTYYURUDPSOQ-IBGZPJMESA-N 1 1 488.617 3.716 50 0 JHAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@@H+](C)CC3)N(Cc3ccc(F)c(F)c3)C2)cc1 ZINC000014880266 525109771 /nfs/dbraw/zinc/10/97/71/525109771.db2.gz HXLLLPDVPDMIAI-QPPBQGQZSA-N 1 1 475.605 3.873 50 0 JHAAMO COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CC[N@H+](Cc2cnc(-c4ccccc4)s2)CC3)c1 ZINC000012282213 525824584 /nfs/dbraw/zinc/82/45/84/525824584.db2.gz MSPGTPRMAPZATQ-SFHVURJKSA-N 1 1 488.617 3.960 50 0 JHAAMO Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000014628871 526175289 /nfs/dbraw/zinc/17/52/89/526175289.db2.gz XXTBDKHOQSKJGH-NRFANRHFSA-N 1 1 464.031 3.856 50 0 JHAAMO Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000014628873 526179833 /nfs/dbraw/zinc/17/98/33/526179833.db2.gz XXTBDKHOQSKJGH-OAQYLSRUSA-N 1 1 464.031 3.856 50 0 JHAAMO Cc1noc(C)c1CC(=O)N1CCOc2ccc(C[N@H+]3CCC[C@@H](C(=O)c4cccnc4)C3)cc2C1 ZINC000014952351 526478621 /nfs/dbraw/zinc/47/86/21/526478621.db2.gz CCLYEOYKIBGDOP-HSZRJFAPSA-N 1 1 488.588 3.745 50 0 JHAAMO O=C(Cc1cccs1)N1CC[NH+]([C@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1 ZINC000036250617 527302011 /nfs/dbraw/zinc/30/20/11/527302011.db2.gz HWYCLZZXJILDPK-VWLOTQADSA-N 1 1 451.636 3.579 50 0 JHAAMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H]1C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]31)[C@@H](C)C2 ZINC000002098238 554041409 /nfs/dbraw/zinc/04/14/09/554041409.db2.gz HEAXKDZPAXOEMH-AJABSLSHSA-N 1 1 455.595 3.735 50 0 biogenic JHAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002350925 554161355 /nfs/dbraw/zinc/16/13/55/554161355.db2.gz WYVDJKTXZNTTHU-KYALDGGBSA-N 1 1 451.526 3.888 50 0 JHAAMO O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000002443424 554211136 /nfs/dbraw/zinc/21/11/36/554211136.db2.gz JBBVYRMDYSDCJB-PBWVOLNLSA-N 1 1 475.854 3.790 50 0 JHAAMO C[N@@H+](CCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)C1CCCCC1 ZINC000008933110 554826806 /nfs/dbraw/zinc/82/68/06/554826806.db2.gz RFVBMIFBWVNEHU-UHFFFAOYSA-N 1 1 471.605 3.780 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009153019 554941957 /nfs/dbraw/zinc/94/19/57/554941957.db2.gz XGYLPXHEVUQKNI-NHCUHLMSSA-N 1 1 467.662 3.540 50 0 JHAAMO CCCn1c2ccccc2c2cnn(CC(=O)NCC[N@@H+](Cc3ccco3)C3CCCC3)c(=O)c21 ZINC000009153448 554943217 /nfs/dbraw/zinc/94/32/17/554943217.db2.gz WBBJRIFGMCWKJW-UHFFFAOYSA-N 1 1 475.593 3.915 50 0 JHAAMO CC(C)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CC[NH+](C)CC2)cc1 ZINC000009217374 554986132 /nfs/dbraw/zinc/98/61/32/554986132.db2.gz RNCRDRPRUMBTLO-UHFFFAOYSA-N 1 1 484.666 3.989 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009220099 554988949 /nfs/dbraw/zinc/98/89/49/554988949.db2.gz ZMXNUFXPFYYHHJ-LJQANCHMSA-N 1 1 487.622 3.643 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCc2nnc3ccc(N4CCCCC4)nn32)o1 ZINC000009431122 555199816 /nfs/dbraw/zinc/19/98/16/555199816.db2.gz NQXMTZYNQOOUOR-HXUWFJFHSA-N 1 1 479.629 3.721 50 0 JHAAMO C[C@H]1CCN(C(=O)C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c2ccccc2S1 ZINC000009451819 555224173 /nfs/dbraw/zinc/22/41/73/555224173.db2.gz YMCMYYUGQISDJA-KRWDZBQOSA-N 1 1 467.591 3.983 50 0 JHAAMO COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)c2)cc1 ZINC000009516191 555307792 /nfs/dbraw/zinc/30/77/92/555307792.db2.gz WPDBCKDYQXCZJA-HSZRJFAPSA-N 1 1 483.590 3.680 50 0 JHAAMO COc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)cc1S(=O)(=O)NC1CCCC1 ZINC000009517098 555309362 /nfs/dbraw/zinc/30/93/62/555309362.db2.gz WLNCQOMVAZBOMU-GMAHTHKFSA-N 1 1 483.634 3.673 50 0 JHAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013164016 555363458 /nfs/dbraw/zinc/36/34/58/555363458.db2.gz SHIYUYCFMIYVFX-QFIPXVFZSA-N 1 1 462.015 3.691 50 0 JHAAMO Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)c2)cc1 ZINC000009794995 555512774 /nfs/dbraw/zinc/51/27/74/555512774.db2.gz TVKPNSUTIIOPLD-HSZRJFAPSA-N 1 1 467.591 3.980 50 0 JHAAMO O=C1C[C@@H]([NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000019877417 555524314 /nfs/dbraw/zinc/52/43/14/555524314.db2.gz NGUAKAUQRJXXQB-XMMPIXPASA-N 1 1 484.552 3.695 50 0 JHAAMO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000013691911 555586490 /nfs/dbraw/zinc/58/64/90/555586490.db2.gz NXEQFQHFLOHVAE-CHCBTGSZSA-N 1 1 494.526 3.515 50 0 JHAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000013691909 555586529 /nfs/dbraw/zinc/58/65/29/555586529.db2.gz NXEQFQHFLOHVAE-IDCDSMMUSA-N 1 1 494.526 3.515 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3OC)c2)CC1 ZINC000010217574 555649799 /nfs/dbraw/zinc/64/97/99/555649799.db2.gz VHSAJEIVHKJNSL-UHFFFAOYSA-N 1 1 493.629 3.868 50 0 JHAAMO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020231424 555721366 /nfs/dbraw/zinc/72/13/66/555721366.db2.gz ZOORPJGCDBFEBN-UHFFFAOYSA-N 1 1 494.592 3.508 50 0 JHAAMO CCCC[N@@H+](CC)CCCNC(=O)C[S@@](=O)Cc1nc(-c2ccc(OC)c(OC)c2)oc1C ZINC000020241736 555737255 /nfs/dbraw/zinc/73/72/55/555737255.db2.gz XQOYTKUDEDCIIZ-MGBGTMOVSA-N 1 1 479.643 3.544 50 0 JHAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@H+]2CCCC[C@@H]2C)[C@H]1c1cccs1 ZINC000020508220 555792020 /nfs/dbraw/zinc/79/20/20/555792020.db2.gz ZRINCYBFTGQYEB-OFAXGOBFSA-N 1 1 455.624 3.666 50 0 JHAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCO2)C[N@H+](CCc2ccccc2)C1 ZINC000014538884 555828636 /nfs/dbraw/zinc/82/86/36/555828636.db2.gz WNOWUDSIVACLEP-WEWMWRJBSA-N 1 1 475.633 3.590 50 0 JHAAMO CC(C)c1c(C(=O)N2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cnn1-c1nccc(-c2ccco2)n1 ZINC000015001972 555846898 /nfs/dbraw/zinc/84/68/98/555846898.db2.gz PCHCMLYGOCFYLL-KDURUIRLSA-N 1 1 478.597 3.760 50 0 JHAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@@H+](C)CC3)N(Cc3ccc(F)cc3F)C2)cc1 ZINC000015067774 555867882 /nfs/dbraw/zinc/86/78/82/555867882.db2.gz RHSVKNHUFDJSLU-VWNXMTODSA-N 1 1 475.605 3.873 50 0 JHAAMO Cn1cc(C[N@@H+](C)Cc2ccc(OC3CCN(C(=O)[C@@H]4CCOC(C)(C)C4)CC3)cc2)cn1 ZINC000015072027 555871075 /nfs/dbraw/zinc/87/10/75/555871075.db2.gz MMSUMSCUBBQMMB-JOCHJYFZSA-N 1 1 454.615 3.627 50 0 JHAAMO COc1ccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000022226680 555885856 /nfs/dbraw/zinc/88/58/56/555885856.db2.gz DYKGDIQZGYDBCI-UHFFFAOYSA-N 1 1 493.629 3.591 50 0 JHAAMO CC(=O)N1C[C@@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)Oc2ccccc21 ZINC000022226807 555885913 /nfs/dbraw/zinc/88/59/13/555885913.db2.gz QIMHGANADSEHNB-SANMLTNESA-N 1 1 455.558 3.734 50 0 JHAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CSc1nnnn1-c1c(C)cc(C)cc1C ZINC000015276164 555891899 /nfs/dbraw/zinc/89/18/99/555891899.db2.gz CWZXJGYEANDEOS-RBBKRZOGSA-N 1 1 462.623 3.823 50 0 JHAAMO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc3c(c1)OCCCO3)CC2 ZINC000015310267 555896088 /nfs/dbraw/zinc/89/60/88/555896088.db2.gz IKHHLXPEBHJBIX-NRFANRHFSA-N 1 1 452.551 3.587 50 0 JHAAMO COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc3c(c1)OCCCO3)CC2 ZINC000015310267 555896092 /nfs/dbraw/zinc/89/60/92/555896092.db2.gz IKHHLXPEBHJBIX-NRFANRHFSA-N 1 1 452.551 3.587 50 0 JHAAMO O=C(CNC(=O)c1ccc(OC(F)F)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000015344441 555899672 /nfs/dbraw/zinc/89/96/72/555899672.db2.gz HXNYOHYNHPNQAX-UHFFFAOYSA-N 1 1 479.527 3.952 50 0 JHAAMO COc1ccc(C(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1S(=O)(=O)NC(C)C ZINC000022296158 555918207 /nfs/dbraw/zinc/91/82/07/555918207.db2.gz BVIQHDBPDKPUTQ-IYBDPMFKSA-N 1 1 480.656 3.569 50 0 JHAAMO COc1ccc(C(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1S(=O)(=O)NC(C)C ZINC000022296158 555918209 /nfs/dbraw/zinc/91/82/09/555918209.db2.gz BVIQHDBPDKPUTQ-IYBDPMFKSA-N 1 1 480.656 3.569 50 0 JHAAMO COc1ccc(C(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)cc1S(=O)(=O)NC(C)C ZINC000022296160 555918231 /nfs/dbraw/zinc/91/82/31/555918231.db2.gz BVIQHDBPDKPUTQ-HZPDHXFCSA-N 1 1 480.656 3.569 50 0 JHAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CCC5)n2)C1 ZINC000022325332 555921986 /nfs/dbraw/zinc/92/19/86/555921986.db2.gz IVPYLDMKTCBQGY-KBPBESRZSA-N 1 1 471.652 3.979 50 0 JHAAMO O=C(CN1CCC[N@@H+](Cc2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000022357133 555924545 /nfs/dbraw/zinc/92/45/45/555924545.db2.gz FDJWKVITQUKIBL-UHFFFAOYSA-N 1 1 476.543 3.688 50 0 JHAAMO C[C@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@H+](CC(c1ccccc1)c1ccccc1)CC2 ZINC000012209537 555942685 /nfs/dbraw/zinc/94/26/85/555942685.db2.gz VIJSBQORKMQLKX-NRFANRHFSA-N 1 1 466.589 3.854 50 0 JHAAMO CCC(CC)[C@@H](CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)[NH+]1CCOCC1 ZINC000022755871 555954142 /nfs/dbraw/zinc/95/41/42/555954142.db2.gz OSBICXUDKSKBEK-DNQXCXABSA-N 1 1 496.677 3.824 50 0 JHAAMO COc1ccc(C)cc1NC(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000015726335 555964303 /nfs/dbraw/zinc/96/43/03/555964303.db2.gz VMLGSJZEBWJOMO-UHFFFAOYSA-N 1 1 466.538 3.922 50 0 JHAAMO O=C1CCSc2ccc(S(=O)(=O)N3CCC[C@@H](C[N@H+]4CCc5ccccc5C4)C3)cc2N1 ZINC000015731068 555973580 /nfs/dbraw/zinc/97/35/80/555973580.db2.gz HBETUHONAURCMO-SFHVURJKSA-N 1 1 471.648 3.580 50 0 JHAAMO O=C1CCSc2ccc(S(=O)(=O)N3CCC(C[N@H+]4CCc5ccccc5C4)CC3)cc2N1 ZINC000015731067 555973590 /nfs/dbraw/zinc/97/35/90/555973590.db2.gz GPGIIEKVVHMQBF-UHFFFAOYSA-N 1 1 471.648 3.580 50 0 JHAAMO COc1ccccc1[C@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1)[NH+](C)C ZINC000012526215 555994296 /nfs/dbraw/zinc/99/42/96/555994296.db2.gz AFHAQCMJXFRQOL-QHCPKHFHSA-N 1 1 485.581 3.976 50 0 JHAAMO O=C(C1CCN(c2ccc(-c3ccccc3)nn2)CC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000023143107 556022287 /nfs/dbraw/zinc/02/22/87/556022287.db2.gz PIPODVMWZSVAJW-UHFFFAOYSA-N 1 1 455.606 3.747 50 0 JHAAMO O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023935344 556101758 /nfs/dbraw/zinc/10/17/58/556101758.db2.gz KJNXKDCBZXNOKE-UHFFFAOYSA-N 1 1 463.603 3.582 50 0 JHAAMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc(C)c(Cl)cc3OC)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015998936 556103961 /nfs/dbraw/zinc/10/39/61/556103961.db2.gz CTJUCMWBVGATGH-GDNALLQQSA-N 1 1 479.964 3.503 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016001443 556106372 /nfs/dbraw/zinc/10/63/72/556106372.db2.gz OIRQYYWGWGDPGU-DDOIHHOZSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001443 556106374 /nfs/dbraw/zinc/10/63/74/556106374.db2.gz OIRQYYWGWGDPGU-DDOIHHOZSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016001500 556106383 /nfs/dbraw/zinc/10/63/83/556106383.db2.gz LVJRPHZSTWKCLS-FXKZBUDASA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001500 556106384 /nfs/dbraw/zinc/10/63/84/556106384.db2.gz LVJRPHZSTWKCLS-FXKZBUDASA-N 1 1 456.329 3.733 50 0 JHAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000024829645 556157514 /nfs/dbraw/zinc/15/75/14/556157514.db2.gz WKHGLTSPKQWNHB-KRWDZBQOSA-N 1 1 463.409 3.769 50 0 JHAAMO CCCc1ccc([C@H]([NH2+]CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c2cccs2)cc1 ZINC000012973132 556164908 /nfs/dbraw/zinc/16/49/08/556164908.db2.gz LEEIAHDNGQBVNU-NRFANRHFSA-N 1 1 454.596 3.666 50 0 JHAAMO O=C1C[C@H]([NH+]2CCC(n3nnc(-c4cccs4)n3)CC2)C(=O)N1c1ccc2ccccc2c1 ZINC000025174535 556202304 /nfs/dbraw/zinc/20/23/04/556202304.db2.gz KBJBVOHMOLKWKM-FQEVSTJZSA-N 1 1 458.547 3.524 50 0 JHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)n2)cc1 ZINC000017012929 556203130 /nfs/dbraw/zinc/20/31/30/556203130.db2.gz NEYQFKPKXWDQCB-UHFFFAOYSA-N 1 1 473.986 3.702 50 0 JHAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)CN3C(=O)CCC3=O)c2-c2nc3ccccc3s2)C1 ZINC000017113388 556218321 /nfs/dbraw/zinc/21/83/21/556218321.db2.gz JMAZAEUEYPYMHR-UHFFFAOYSA-N 1 1 468.604 3.879 50 0 JHAAMO CCCCN(C(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013038717 556237740 /nfs/dbraw/zinc/23/77/40/556237740.db2.gz RHKYDFYETVLYLQ-AWEZNQCLSA-N 1 1 484.428 3.566 50 0 JHAAMO NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000026954219 556266487 /nfs/dbraw/zinc/26/64/87/556266487.db2.gz LJTWTXZGJDRMOY-UHFFFAOYSA-N 1 1 462.600 3.583 50 0 JHAAMO NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](Cc1ccccc1)C3 ZINC000026954219 556266490 /nfs/dbraw/zinc/26/64/90/556266490.db2.gz LJTWTXZGJDRMOY-UHFFFAOYSA-N 1 1 462.600 3.583 50 0 JHAAMO C[N@@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000027352504 556276945 /nfs/dbraw/zinc/27/69/45/556276945.db2.gz IRNWXYWORSICRL-UHFFFAOYSA-N 1 1 459.395 3.525 50 0 JHAAMO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1 ZINC000013108949 556307158 /nfs/dbraw/zinc/30/71/58/556307158.db2.gz ABROOOZQBGVEKG-AMGIVPHBSA-N 1 1 477.557 3.878 50 0 JHAAMO COc1cc(=O)n2c(c1C(=O)NCc1nccs1)CC[N@H+](Cc1ccccc1-c1ccco1)CC2 ZINC000019335464 556342811 /nfs/dbraw/zinc/34/28/11/556342811.db2.gz MGVJTRYNHOVTRE-UHFFFAOYSA-N 1 1 490.585 3.562 50 0 JHAAMO CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)n2)o1 ZINC000028893076 556343732 /nfs/dbraw/zinc/34/37/32/556343732.db2.gz GKQGUXQQOFXHAV-HOTGVXAUSA-N 1 1 468.579 3.901 50 0 JHAAMO O=C(C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccccc1OC(F)(F)F ZINC000029118937 556346905 /nfs/dbraw/zinc/34/69/05/556346905.db2.gz ZHQKSYAFWAIUSR-UHFFFAOYSA-N 1 1 476.421 3.828 50 0 JHAAMO O=C(C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccccc1OC(F)(F)F ZINC000029118937 556346909 /nfs/dbraw/zinc/34/69/09/556346909.db2.gz ZHQKSYAFWAIUSR-UHFFFAOYSA-N 1 1 476.421 3.828 50 0 JHAAMO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)cc2)C1 ZINC000032863810 556515540 /nfs/dbraw/zinc/51/55/40/556515540.db2.gz HNZRGOSBYOXCNK-FQEVSTJZSA-N 1 1 473.614 3.594 50 0 JHAAMO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)cc2)C1 ZINC000032863810 556515544 /nfs/dbraw/zinc/51/55/44/556515544.db2.gz HNZRGOSBYOXCNK-FQEVSTJZSA-N 1 1 473.614 3.594 50 0 JHAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000057315204 569596920 /nfs/dbraw/zinc/59/69/20/569596920.db2.gz BIRYCZQLCLGBTL-HSZRJFAPSA-N 1 1 473.595 3.989 50 0 JHAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2c1C ZINC000008735147 569601908 /nfs/dbraw/zinc/60/19/08/569601908.db2.gz ASLQAMVVHUFURD-UHFFFAOYSA-N 1 1 489.642 3.554 50 0 JHAAMO CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)cc1OCC ZINC000059746587 569607571 /nfs/dbraw/zinc/60/75/71/569607571.db2.gz LTJLXEUWYLJKIK-NRFANRHFSA-N 1 1 462.612 3.998 50 0 JHAAMO CCOc1ccc(S(=O)(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)cc1OCC ZINC000059746589 569607595 /nfs/dbraw/zinc/60/75/95/569607595.db2.gz LTJLXEUWYLJKIK-OAQYLSRUSA-N 1 1 462.612 3.998 50 0 JHAAMO Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)c(C)c1 ZINC000064801918 569631498 /nfs/dbraw/zinc/63/14/98/569631498.db2.gz YCBBMYCEHMXPRO-UHFFFAOYSA-N 1 1 453.568 3.783 50 0 JHAAMO COc1ccccc1N1CC[NH+](C[C@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)CCO2)CC1 ZINC000034685912 569645184 /nfs/dbraw/zinc/64/51/84/569645184.db2.gz OBRYZYDPXQBMEU-SFHVURJKSA-N 1 1 464.393 3.665 50 0 JHAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(C(=O)Nc2ccccc2)CC3)CC1 ZINC000034757168 569656787 /nfs/dbraw/zinc/65/67/87/569656787.db2.gz HFKRDXDPTXILFM-UHFFFAOYSA-N 1 1 480.519 3.889 50 0 JHAAMO Nc1c(NC(=O)NCCC[NH+]2CCOCC2)c(-c2ccc(Cl)cc2)nn1-c1cc(F)ccc1F ZINC000034785771 569659381 /nfs/dbraw/zinc/65/93/81/569659381.db2.gz WTSDXYGRNUFELO-UHFFFAOYSA-N 1 1 490.942 3.897 50 0 JHAAMO CCCN(CC(=O)Nc1nc(CC(=O)NCCC[N@H+]2CCCC[C@@H]2C)cs1)C(=O)c1ccccc1 ZINC000034868718 569668133 /nfs/dbraw/zinc/66/81/33/569668133.db2.gz HFSLQEJOTPLQDD-FQEVSTJZSA-N 1 1 499.681 3.557 50 0 JHAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccn2c(c1)nnc2-c1ccc(F)cc1 ZINC000065296320 569670337 /nfs/dbraw/zinc/67/03/37/569670337.db2.gz HWTBJXXWBKZOCS-UHFFFAOYSA-N 1 1 476.531 3.617 50 0 JHAAMO CCCc1nc2c(c(=O)n1CC(=O)N[C@H](C)CCc1ccccc1)CC[N@H+](Cc1ccccc1)C2 ZINC000035372062 569682986 /nfs/dbraw/zinc/68/29/86/569682986.db2.gz NLPWXTIVZVLODX-JOCHJYFZSA-N 1 1 472.633 3.892 50 0 JHAAMO CCCc1nc2c(c(=O)n1CC(=O)N[C@H](C)CCc1ccccc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000035372062 569682987 /nfs/dbraw/zinc/68/29/87/569682987.db2.gz NLPWXTIVZVLODX-JOCHJYFZSA-N 1 1 472.633 3.892 50 0 JHAAMO Cc1sc2ncc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)n2c1C ZINC000035373130 569683675 /nfs/dbraw/zinc/68/36/75/569683675.db2.gz HFPBBOJGWHUEPW-UHFFFAOYSA-N 1 1 458.587 3.920 50 0 JHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)C1 ZINC000068704990 569691562 /nfs/dbraw/zinc/69/15/62/569691562.db2.gz ROFWOFOMNSAXHJ-ROKPMTFOSA-N 1 1 489.616 3.870 50 0 JHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000035423380 569693053 /nfs/dbraw/zinc/69/30/53/569693053.db2.gz IMJLVLZSLBIHTR-IBGZPJMESA-N 1 1 461.566 3.675 50 0 JHAAMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)C[C@H](C)O1 ZINC000070012580 569694798 /nfs/dbraw/zinc/69/47/98/569694798.db2.gz VWZKUCWLKSSCDV-ZVDOUQERSA-N 1 1 498.089 3.619 50 0 JHAAMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)C[C@H](C)O1 ZINC000070012580 569694799 /nfs/dbraw/zinc/69/47/99/569694799.db2.gz VWZKUCWLKSSCDV-ZVDOUQERSA-N 1 1 498.089 3.619 50 0 JHAAMO Cc1ncn(-c2cc(N3CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)[nH+]c(C)n2)c1C ZINC000072437569 569704271 /nfs/dbraw/zinc/70/42/71/569704271.db2.gz KYXGASZSYCPJJK-UHFFFAOYSA-N 1 1 459.476 3.960 50 0 JHAAMO CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccc(C)cc4)C3)n2C)c1 ZINC000035561111 569704328 /nfs/dbraw/zinc/70/43/28/569704328.db2.gz TZHCKHJOLOUNDE-QFIPXVFZSA-N 1 1 496.677 3.769 50 0 JHAAMO CC(C)[C@@H](C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000084706008 569709509 /nfs/dbraw/zinc/70/95/09/569709509.db2.gz WICHQHIYRQSFCR-UEXGIBASSA-N 1 1 451.011 3.540 50 0 JHAAMO CC(C)[C@@H](C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000084706008 569709511 /nfs/dbraw/zinc/70/95/11/569709511.db2.gz WICHQHIYRQSFCR-UEXGIBASSA-N 1 1 451.011 3.540 50 0 JHAAMO COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)c1 ZINC000085879678 569716452 /nfs/dbraw/zinc/71/64/52/569716452.db2.gz KZKDRKHBDICFMG-YADARESESA-N 1 1 451.567 3.950 50 0 biogenic JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035851798 569716592 /nfs/dbraw/zinc/71/65/92/569716592.db2.gz RQKPMLMXMQTLBT-ZHSNQQFMSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035851798 569716593 /nfs/dbraw/zinc/71/65/93/569716593.db2.gz RQKPMLMXMQTLBT-ZHSNQQFMSA-N 1 1 456.329 3.733 50 0 JHAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3ccccc3N(Cc3ccccc3)C2=O)cc1 ZINC000100184806 569754976 /nfs/dbraw/zinc/75/49/76/569754976.db2.gz BTOBZXHDANZKDV-YRIIQKNPSA-N 1 1 493.563 3.721 50 0 JHAAMO COCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccc(C)cc1 ZINC000036312092 569759856 /nfs/dbraw/zinc/75/98/56/569759856.db2.gz VRLUZKNVIUNPOD-UHFFFAOYSA-N 1 1 466.557 3.830 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2cccn2C)C1 ZINC000036341915 569764841 /nfs/dbraw/zinc/76/48/41/569764841.db2.gz VWJZYAOBBVCEGY-URXFXBBRSA-N 1 1 450.583 3.595 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2cccn2C)C1 ZINC000036341915 569764843 /nfs/dbraw/zinc/76/48/43/569764843.db2.gz VWJZYAOBBVCEGY-URXFXBBRSA-N 1 1 450.583 3.595 50 0 JHAAMO O=C(C[NH+]1CCC2(CC1)OCCO2)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl ZINC000036342237 569765498 /nfs/dbraw/zinc/76/54/98/569765498.db2.gz DRFNQLCTYIIPKC-JOCHJYFZSA-N 1 1 457.933 3.996 50 0 JHAAMO CCOc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000036342582 569765942 /nfs/dbraw/zinc/76/59/42/569765942.db2.gz JGRROEJAPKXCFG-VWLOTQADSA-N 1 1 462.594 3.577 50 0 JHAAMO COc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c(OC)c1 ZINC000036342653 569766110 /nfs/dbraw/zinc/76/61/10/569766110.db2.gz MHSMXDWEMIUAIC-RUZDIDTESA-N 1 1 493.604 3.837 50 0 JHAAMO COc1cccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000036343128 569766148 /nfs/dbraw/zinc/76/61/48/569766148.db2.gz GXXRNJIUHXWJRO-RUZDIDTESA-N 1 1 463.578 3.829 50 0 JHAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@@H](c3ccccc3F)C2)c(C)c1 ZINC000036343034 569766193 /nfs/dbraw/zinc/76/61/93/569766193.db2.gz VAABCDHPIFCBFB-XMMPIXPASA-N 1 1 451.542 3.959 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2cc(OC)ccc2OC)C1 ZINC000036344340 569766839 /nfs/dbraw/zinc/76/68/39/569766839.db2.gz KPJPDDMDLWRUOH-RDPSFJRHSA-N 1 1 479.577 3.657 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2cc(OC)ccc2OC)C1 ZINC000036344340 569766840 /nfs/dbraw/zinc/76/68/40/569766840.db2.gz KPJPDDMDLWRUOH-RDPSFJRHSA-N 1 1 479.577 3.657 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000036345616 569768050 /nfs/dbraw/zinc/76/80/50/569768050.db2.gz PCPXWTVASYEVPH-UGKGYDQZSA-N 1 1 481.524 3.507 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000036345616 569768051 /nfs/dbraw/zinc/76/80/51/569768051.db2.gz PCPXWTVASYEVPH-UGKGYDQZSA-N 1 1 481.524 3.507 50 0 JHAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000036394593 569774813 /nfs/dbraw/zinc/77/48/13/569774813.db2.gz KYDUSBNYMHZKCJ-QRQCRPRQSA-N 1 1 475.661 3.624 50 0 JHAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000036394593 569774814 /nfs/dbraw/zinc/77/48/14/569774814.db2.gz KYDUSBNYMHZKCJ-QRQCRPRQSA-N 1 1 475.661 3.624 50 0 JHAAMO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000036442654 569776015 /nfs/dbraw/zinc/77/60/15/569776015.db2.gz ZOXYXDPPZKSVCW-BEFAXECRSA-N 1 1 498.443 3.638 50 0 JHAAMO Cc1sc2nc(CS[C@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)[nH]c(=O)c2c1C ZINC000036697682 569780099 /nfs/dbraw/zinc/78/00/99/569780099.db2.gz BIYKOMTWKNFGHK-SJLPKXTDSA-N 1 1 456.637 3.614 50 0 JHAAMO CC[C@@H](C)NC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccco2)nc2ccccc21 ZINC000037383549 569785337 /nfs/dbraw/zinc/78/53/37/569785337.db2.gz DOMNAFWTBRYVKW-HXUWFJFHSA-N 1 1 465.598 3.723 50 0 JHAAMO COC(=O)CC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N1CCN(c2ccccc2OC)CC1 ZINC000101237062 569787753 /nfs/dbraw/zinc/78/77/53/569787753.db2.gz OIJYVUARTLZTEQ-RPWUZVMVSA-N 1 1 451.611 3.661 50 0 JHAAMO COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH+]1CCN(c2ccccc2OC)CC1 ZINC000101237062 569787755 /nfs/dbraw/zinc/78/77/55/569787755.db2.gz OIJYVUARTLZTEQ-RPWUZVMVSA-N 1 1 451.611 3.661 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccc(Cn3c(C)c(C)s/c3=N\C(=O)c3ccccc3F)cc2)CC1 ZINC000037428238 569789793 /nfs/dbraw/zinc/78/97/93/569789793.db2.gz QORUPDZIXIUQHW-SGEDCAFJSA-N 1 1 480.609 3.873 50 0 JHAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344109 569793853 /nfs/dbraw/zinc/79/38/53/569793853.db2.gz WYVDJKTXZNTTHU-DHMIZTNRSA-N 1 1 451.526 3.888 50 0 JHAAMO O=c1occ(C[N@H+]2CCc3ccccc3C2)c([O-])c1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000101373083 569794754 /nfs/dbraw/zinc/79/47/54/569794754.db2.gz GLANRAKTMQSFTI-UHFFFAOYSA-N 1 1 465.981 3.879 50 0 JHAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1cc(F)cc(F)c1)CC[N@H+](Cc1ccccc1)C2 ZINC000101798680 569805157 /nfs/dbraw/zinc/80/51/57/569805157.db2.gz JORUYNBWVDWKIY-UHFFFAOYSA-N 1 1 452.505 3.842 50 0 JHAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1cc(F)cc(F)c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000101798680 569805159 /nfs/dbraw/zinc/80/51/59/569805159.db2.gz JORUYNBWVDWKIY-UHFFFAOYSA-N 1 1 452.505 3.842 50 0 JHAAMO COc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)[C@H]2Cc4ccccc4C[N@@H+]2C)CC3)cc1Cl ZINC000039490043 569810056 /nfs/dbraw/zinc/81/00/56/569810056.db2.gz SHYMECZAQWUANG-IFMALSPDSA-N 1 1 467.997 3.973 50 0 JHAAMO COc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)[C@H]2Cc4ccccc4C[N@H+]2C)CC3)cc1Cl ZINC000039490043 569810057 /nfs/dbraw/zinc/81/00/57/569810057.db2.gz SHYMECZAQWUANG-IFMALSPDSA-N 1 1 467.997 3.973 50 0 JHAAMO CCOC(=O)c1sc2ncnc(NCC[N@H+]3CCc4cc(OC)c(OC)cc4C3)c2c1C ZINC000040155596 569820818 /nfs/dbraw/zinc/82/08/18/569820818.db2.gz IPMNDGAWUCPIQY-UHFFFAOYSA-N 1 1 456.568 3.664 50 0 JHAAMO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[C@H]3CCC[N@H+]3C)N2[C@H]1c1cccc(OC)c1 ZINC000102763841 569822670 /nfs/dbraw/zinc/82/26/70/569822670.db2.gz GITPXSCZDNKMFI-DVECYGJZSA-N 1 1 498.649 3.824 50 0 JHAAMO 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COc1ccc(-c2csc3[nH]c(C[N@@H+](C[C@@H](O)COCC(C)C)C(C)C)nc(=O)c23)cc1 ZINC000036206292 523174344 /nfs/dbraw/zinc/17/43/44/523174344.db2.gz UODNMGHUTYWKOV-GOSISDBHSA-N 1 1 459.612 3.904 50 0 JHAAMO CCn1c2c(C(=O)Nc3ccccc3C)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000064967777 523255564 /nfs/dbraw/zinc/25/55/64/523255564.db2.gz HHBHZWQBTSUWBZ-UHFFFAOYSA-N 1 1 471.561 3.644 50 0 JHAAMO CCn1c2c(C(=O)Nc3ccccc3C)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000064967777 523255574 /nfs/dbraw/zinc/25/55/74/523255574.db2.gz HHBHZWQBTSUWBZ-UHFFFAOYSA-N 1 1 471.561 3.644 50 0 JHAAMO CCc1c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)cc(C)n1C[C@H]1CCC[N@@H+]1CC ZINC000014980897 523686363 /nfs/dbraw/zinc/68/63/63/523686363.db2.gz ANZZDVXGJIWBDQ-RDSFPOOSSA-N 1 1 476.665 3.675 50 0 JHAAMO COc1ccc(C)cc1C[NH+]1CCN(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1 ZINC000022786218 523810896 /nfs/dbraw/zinc/81/08/96/523810896.db2.gz WGLVBQBPGDPKRQ-UHFFFAOYSA-N 1 1 484.600 3.574 50 0 JHAAMO C[NH+]1CCN([C@H](CNc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c2cccs2)CC1 ZINC000022791684 523922051 /nfs/dbraw/zinc/92/20/51/523922051.db2.gz ZIGDGCULDMMHII-MRXNPFEDSA-N 1 1 498.962 3.762 50 0 JHAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NC3CC3)C2)cc1OC ZINC000014745234 524042127 /nfs/dbraw/zinc/04/21/27/524042127.db2.gz WNQVTNQZPZONKM-FCHUYYIVSA-N 1 1 477.605 3.548 50 0 JHAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)CC2)cc1 ZINC000027915848 524446067 /nfs/dbraw/zinc/44/60/67/524446067.db2.gz CPYWAPRNCBSIQN-UHFFFAOYSA-N 1 1 483.678 3.747 50 0 JHAAMO Cc1cccc(N2CCN(C(=O)C[C@@]3(c4ccccc4F)CC(=O)N(C4CCCCC4)C3=O)CC2)[nH+]1 ZINC000014959227 524546450 /nfs/dbraw/zinc/54/64/50/524546450.db2.gz JONWPUZIDOFGAS-NDEPHWFRSA-N 1 1 492.595 3.597 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2CC23CCN(C(=O)[C@H]2Cc4ccccc4C[N@@H+]2C)CC3)cc1Cl ZINC000012279418 524591795 /nfs/dbraw/zinc/59/17/95/524591795.db2.gz SHYMECZAQWUANG-RBBKRZOGSA-N 1 1 467.997 3.973 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2CC23CCN(C(=O)[C@H]2Cc4ccccc4C[N@H+]2C)CC3)cc1Cl ZINC000012279418 524591806 /nfs/dbraw/zinc/59/18/06/524591806.db2.gz SHYMECZAQWUANG-RBBKRZOGSA-N 1 1 467.997 3.973 50 0 JHAAMO COc1ccccc1[C@H](c1c(O)cc(C)n(Cc2ccco2)c1=O)[NH+]1CCN(c2ccccn2)CC1 ZINC000022698167 524799867 /nfs/dbraw/zinc/79/98/67/524799867.db2.gz VINWKIZQGMMAKH-HHHXNRCGSA-N 1 1 486.572 3.819 50 0 JHAAMO COc1ccc(OCC[NH+]2CCN([C@H](C)C(=O)N(c3nccs3)C3CCCCC3)CC2)cc1 ZINC000022810734 524956183 /nfs/dbraw/zinc/95/61/83/524956183.db2.gz MZOUMMGGMRFUHL-HXUWFJFHSA-N 1 1 472.655 3.903 50 0 JHAAMO Cc1c(C(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048312 525607526 /nfs/dbraw/zinc/60/75/26/525607526.db2.gz PQQRYGLOVAHNBR-UHFFFAOYSA-N 1 1 496.656 3.533 50 0 JHAAMO Cc1c(C[N@@H+]2CC(=O)N(CC(C)C)C[C@@H](OCc3ccccc3F)C2)c(=O)n(-c2ccccc2)n1C ZINC000014747968 525701285 /nfs/dbraw/zinc/70/12/85/525701285.db2.gz POLLYCJVUQEDSL-DEOSSOPVSA-N 1 1 494.611 3.509 50 0 JHAAMO Cc1c(C[N@H+]2CC(=O)N(CC(C)C)C[C@@H](OCc3ccccc3F)C2)c(=O)n(-c2ccccc2)n1C ZINC000014747968 525701296 /nfs/dbraw/zinc/70/12/96/525701296.db2.gz POLLYCJVUQEDSL-DEOSSOPVSA-N 1 1 494.611 3.509 50 0 JHAAMO C[C@@]1(C2CC[NH+](Cc3cc4c(cc3Cl)OCO4)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O ZINC000014880425 525825693 /nfs/dbraw/zinc/82/56/93/525825693.db2.gz ZIWVPAJBXBZFFC-SANMLTNESA-N 1 1 481.980 3.759 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021860342 526247650 /nfs/dbraw/zinc/24/76/50/526247650.db2.gz FQIRHDWRZHKSEX-FQEVSTJZSA-N 1 1 457.578 3.692 50 0 JHAAMO O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016347010 526596094 /nfs/dbraw/zinc/59/60/94/526596094.db2.gz WLEHYHHGBINFAI-UHFFFAOYSA-N 1 1 469.651 3.575 50 0 JHAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[S@@](=O)CC(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000036091437 526731313 /nfs/dbraw/zinc/73/13/13/526731313.db2.gz RVSQVUFQMOPNNC-DFYVNMARSA-N 1 1 452.020 3.790 50 0 JHAAMO O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000043741292 526796731 /nfs/dbraw/zinc/79/67/31/526796731.db2.gz AHPHQJCTZGBEMP-QYOOZWMWSA-N 1 1 478.504 3.809 50 0 biogenic JHAAMO O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000043741292 526796733 /nfs/dbraw/zinc/79/67/33/526796733.db2.gz AHPHQJCTZGBEMP-QYOOZWMWSA-N 1 1 478.504 3.809 50 0 biogenic JHAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 ZINC000012331347 526923337 /nfs/dbraw/zinc/92/33/37/526923337.db2.gz YOXSGYLKGJSZAH-HXUWFJFHSA-N 1 1 454.534 3.804 50 0 JHAAMO O=C(c1nn(CCc2ccccc2)c2c1C[N@H+](Cc1c(F)cccc1F)CC2)N1CCC(O)CC1 ZINC000014745160 526927549 /nfs/dbraw/zinc/92/75/49/526927549.db2.gz MXIMQXDTWHWIJA-UHFFFAOYSA-N 1 1 480.559 3.559 50 0 JHAAMO O=C(c1nn(CCc2ccccc2)c2c1C[N@@H+](Cc1c(F)cccc1F)CC2)N1CCC(O)CC1 ZINC000014745160 526927555 /nfs/dbraw/zinc/92/75/55/526927555.db2.gz MXIMQXDTWHWIJA-UHFFFAOYSA-N 1 1 480.559 3.559 50 0 JHAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)[nH+]1 ZINC000021795838 527003896 /nfs/dbraw/zinc/00/38/96/527003896.db2.gz ALCGQIVGHPHFPB-UHFFFAOYSA-N 1 1 462.510 3.780 50 0 JHAAMO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](Cc3nccs3)CC2)N1CCc1ccccc1 ZINC000014747326 527038777 /nfs/dbraw/zinc/03/87/77/527038777.db2.gz LPZDAGOJPFGGOE-UHFFFAOYSA-N 1 1 461.591 3.580 50 0 JHAAMO O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012521615 527085971 /nfs/dbraw/zinc/08/59/71/527085971.db2.gz DIYCYMIRYKHWBU-UHFFFAOYSA-N 1 1 498.697 3.501 50 0 JHAAMO Cc1nc2c(c(=O)n1CC(=O)Nc1cccc(Br)c1)CC[N@H+](Cc1ccccc1)C2 ZINC000035456203 527095726 /nfs/dbraw/zinc/09/57/26/527095726.db2.gz WTVWVSSXEAJQDA-UHFFFAOYSA-N 1 1 467.367 3.511 50 0 JHAAMO Cc1nc2c(c(=O)n1CC(=O)Nc1cccc(Br)c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000035456203 527095732 /nfs/dbraw/zinc/09/57/32/527095732.db2.gz WTVWVSSXEAJQDA-UHFFFAOYSA-N 1 1 467.367 3.511 50 0 JHAAMO O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000014190034 527140949 /nfs/dbraw/zinc/14/09/49/527140949.db2.gz ABHARTUKABRECN-IBGZPJMESA-N 1 1 455.605 3.801 50 0 JHAAMO O=c1nc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000022801256 527437969 /nfs/dbraw/zinc/43/79/69/527437969.db2.gz XUFBOJAKZMIEMH-NRFANRHFSA-N 1 1 464.566 3.954 50 0 JHAAMO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C1CC1 ZINC000036313374 527658802 /nfs/dbraw/zinc/65/88/02/527658802.db2.gz YSYVSBFEEJQTFD-JOCHJYFZSA-N 1 1 481.568 3.859 50 0 JHAAMO O=C(NCCCOc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1)[C@@H]1CCCO1 ZINC000014997666 527689638 /nfs/dbraw/zinc/68/96/38/527689638.db2.gz FWOINFCLYZSYDR-DEOSSOPVSA-N 1 1 458.002 3.726 50 0 JHAAMO CC[N@@H+]1CCc2c(sc(NC(=S)NC(=O)C=Cc3ccc(Br)cc3)c2C(N)=O)C1 ZINC000002316646 554146124 /nfs/dbraw/zinc/14/61/24/554146124.db2.gz DEGKTYVIXFIWKA-VMPITWQZSA-N 1 1 493.452 3.514 50 0 JHAAMO CC[N@H+]1CCc2c(sc(NC(=S)NC(=O)C=Cc3ccc(Br)cc3)c2C(N)=O)C1 ZINC000002316646 554146128 /nfs/dbraw/zinc/14/61/28/554146128.db2.gz DEGKTYVIXFIWKA-VMPITWQZSA-N 1 1 493.452 3.514 50 0 JHAAMO O=C1[C@@H]2[C@H](C(=O)N1Cc1ccccc1)[C@@H]1CCC[N@H+]1[C@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000004398913 554477178 /nfs/dbraw/zinc/47/71/78/554477178.db2.gz JXYUNDORNGMXEL-YRIIQKNPSA-N 1 1 477.564 3.708 50 0 JHAAMO COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000008826186 554715475 /nfs/dbraw/zinc/71/54/75/554715475.db2.gz DJEHJXVTWXTRLA-UHFFFAOYSA-N 1 1 469.563 3.819 50 0 JHAAMO COc1ccc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C)C5)cc2OC)cc1 ZINC000008874814 554770625 /nfs/dbraw/zinc/77/06/25/554770625.db2.gz WODSAWJZCKLHCI-QFIPXVFZSA-N 1 1 479.558 3.827 50 0 JHAAMO COc1ccc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C)C5)cc2OC)cc1 ZINC000008874814 554770628 /nfs/dbraw/zinc/77/06/28/554770628.db2.gz WODSAWJZCKLHCI-QFIPXVFZSA-N 1 1 479.558 3.827 50 0 JHAAMO CCCC[N@@H+](CCCNC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O)Cc1ccccc1 ZINC000008932984 554826631 /nfs/dbraw/zinc/82/66/31/554826631.db2.gz BVQDNZGAECQGBP-UHFFFAOYSA-N 1 1 459.594 3.697 50 0 JHAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(CN2CCOCC2)cc1 ZINC000008939570 554831473 /nfs/dbraw/zinc/83/14/73/554831473.db2.gz SOSJKQYLXVWPGN-HXUWFJFHSA-N 1 1 450.608 3.947 50 0 JHAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(CN2CCOCC2)cc1 ZINC000008939570 554831476 /nfs/dbraw/zinc/83/14/76/554831476.db2.gz SOSJKQYLXVWPGN-HXUWFJFHSA-N 1 1 450.608 3.947 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncc2c(C)n(Cc3ccccc3)c(C)c2c1=O ZINC000008965388 554839886 /nfs/dbraw/zinc/83/98/86/554839886.db2.gz MYSBWSLDZYCFMV-HSZRJFAPSA-N 1 1 463.626 3.634 50 0 JHAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3nn(C)c4c3COc3ccccc3-4)C[C@@H]2C)c1 ZINC000009252142 555027063 /nfs/dbraw/zinc/02/70/63/555027063.db2.gz QJSDDALYMOLYOT-FQEVSTJZSA-N 1 1 459.594 3.619 50 0 JHAAMO C=C1C(N2CCC(C(=O)NC[C@H]3CCC[N@@H+]3CC)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000009641961 555353490 /nfs/dbraw/zinc/35/34/90/555353490.db2.gz JWBLVHYLRGETJF-HSZRJFAPSA-N 1 1 486.682 3.595 50 0 JHAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1nnc(Cc2ccc(F)cc2Cl)o1 ZINC000009561290 555359180 /nfs/dbraw/zinc/35/91/80/555359180.db2.gz QIDJQZRSQAGKND-UHFFFAOYSA-N 1 1 475.927 3.534 50 0 JHAAMO C[N@H+]1CCC[C@H](OC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)C1 ZINC000009705101 555429768 /nfs/dbraw/zinc/42/97/68/555429768.db2.gz XOOGWVFGGWEVJT-KRWDZBQOSA-N 1 1 453.358 3.501 50 0 JHAAMO Cc1ccccc1CN1[NH+]=C(C)[C@@H](C)n2c3c(nc21)n(C)c(=O)n(Cc1ccccc1C)c3=O ZINC000009707518 555430524 /nfs/dbraw/zinc/43/05/24/555430524.db2.gz AYHDVZJPYOKAKU-LJQANCHMSA-N 1 1 456.550 3.519 50 0 JHAAMO Cc1ccccc1CN1[NH+]=C(C)[C@H](C)n2c3c(nc21)n(C)c(=O)n(Cc1ccccc1C)c3=O ZINC000009707519 555430606 /nfs/dbraw/zinc/43/06/06/555430606.db2.gz AYHDVZJPYOKAKU-IBGZPJMESA-N 1 1 456.550 3.519 50 0 JHAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3ccc(NC(=O)C4=CSCCO4)cc3)C[C@@H]2C)c1 ZINC000009738288 555469821 /nfs/dbraw/zinc/46/98/21/555469821.db2.gz NWCRVUNKPIKMNQ-NRFANRHFSA-N 1 1 494.661 3.869 50 0 JHAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3ccc4c(c3)nc3n(c4=O)CCCCC3)C[C@@H]2C)c1 ZINC000009777084 555495667 /nfs/dbraw/zinc/49/56/67/555495667.db2.gz PTFUOMLHRCIIIB-QFIPXVFZSA-N 1 1 487.648 3.762 50 0 JHAAMO CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000009799351 555515947 /nfs/dbraw/zinc/51/59/47/555515947.db2.gz SNGFPTXPESZYCE-UHFFFAOYSA-N 1 1 458.628 3.752 50 0 JHAAMO C[N@@H+](CCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O)C1CCCCC1 ZINC000009823166 555524765 /nfs/dbraw/zinc/52/47/65/555524765.db2.gz SBQTZDJZMZRGRQ-UHFFFAOYSA-N 1 1 489.595 3.919 50 0 JHAAMO CC(=O)Nc1ccccc1-c1nc2ccc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2[nH]c1=O ZINC000009833426 555536119 /nfs/dbraw/zinc/53/61/19/555536119.db2.gz JDQIOKMSYUXUIX-HDICACEKSA-N 1 1 475.593 3.646 50 0 JHAAMO Nc1nnc(SCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1-c1ccccc1 ZINC000019922879 555540158 /nfs/dbraw/zinc/54/01/58/555540158.db2.gz HJEYPMCGSLJHMO-UHFFFAOYSA-N 1 1 484.629 3.875 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1 ZINC000009971997 555570735 /nfs/dbraw/zinc/57/07/35/555570735.db2.gz OMYKCJOBSFWFPJ-UHFFFAOYSA-N 1 1 463.603 3.860 50 0 JHAAMO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000010213378 555647228 /nfs/dbraw/zinc/64/72/28/555647228.db2.gz JIVWNSODSVEKSC-XMMPIXPASA-N 1 1 493.629 3.520 50 0 JHAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000010278461 555671668 /nfs/dbraw/zinc/67/16/68/555671668.db2.gz BDXORDIZKPLPFW-QHCPKHFHSA-N 1 1 456.546 3.995 50 0 JHAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000014201389 555732981 /nfs/dbraw/zinc/73/29/81/555732981.db2.gz LUTLCJTVMMIAHV-GOSISDBHSA-N 1 1 484.647 3.899 50 0 JHAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000014201389 555732983 /nfs/dbraw/zinc/73/29/83/555732983.db2.gz LUTLCJTVMMIAHV-GOSISDBHSA-N 1 1 484.647 3.899 50 0 JHAAMO CCOc1ccccc1CN1C[C@H](Sc2ccc(OC)cc2)C[C@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000020256598 555744067 /nfs/dbraw/zinc/74/40/67/555744067.db2.gz RNILGLVFDJHNLJ-RPBOFIJWSA-N 1 1 483.678 3.993 50 0 JHAAMO CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccc(Br)cc1)C[N@@H+](C)CC3 ZINC000020329547 555775441 /nfs/dbraw/zinc/77/54/41/555775441.db2.gz HCIUYGQWQIFWSE-UHFFFAOYSA-N 1 1 493.452 3.959 50 0 JHAAMO CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccc(Br)cc1)C[N@H+](C)CC3 ZINC000020329547 555775444 /nfs/dbraw/zinc/77/54/44/555775444.db2.gz HCIUYGQWQIFWSE-UHFFFAOYSA-N 1 1 493.452 3.959 50 0 JHAAMO O=C(c1cc(S(=O)(=O)N2CCCCC2)c[nH]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020532663 555803572 /nfs/dbraw/zinc/80/35/72/555803572.db2.gz COVINOSYZSEOPN-UHFFFAOYSA-N 1 1 492.645 3.737 50 0 JHAAMO COc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H](Sc3ccccn3)C[C@H]2C(=O)NC(C)C)cc1 ZINC000011784928 555816928 /nfs/dbraw/zinc/81/69/28/555816928.db2.gz XGFNJDAYXDISNY-RTWAWAEBSA-N 1 1 451.596 3.740 50 0 JHAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H](Sc3ccccn3)C[C@H]2C(=O)NC(C)C)cc1 ZINC000011784928 555816929 /nfs/dbraw/zinc/81/69/29/555816929.db2.gz XGFNJDAYXDISNY-RTWAWAEBSA-N 1 1 451.596 3.740 50 0 JHAAMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc(-c2ccccc2)cc(S(=O)(=O)N2CCSCC2)c1 ZINC000014537450 555827028 /nfs/dbraw/zinc/82/70/28/555827028.db2.gz QITKRXJIXAIRNL-FQEVSTJZSA-N 1 1 487.691 3.505 50 0 JHAAMO COc1ccc(F)c(C[C@@]2(CCC(=O)N3CCC[N@H+](Cc4ccccc4F)CC3)CCC(=O)N2)c1 ZINC000011872829 555847859 /nfs/dbraw/zinc/84/78/59/555847859.db2.gz REHWJZAJIFEIIG-MHZLTWQESA-N 1 1 485.575 3.679 50 0 JHAAMO COc1ccc(F)c(C[C@@]2(CCC(=O)N3CCC[N@@H+](Cc4ccccc4F)CC3)CCC(=O)N2)c1 ZINC000011872829 555847861 /nfs/dbraw/zinc/84/78/61/555847861.db2.gz REHWJZAJIFEIIG-MHZLTWQESA-N 1 1 485.575 3.679 50 0 JHAAMO COCc1c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000015007291 555851555 /nfs/dbraw/zinc/85/15/55/555851555.db2.gz HUUZTHKAPFFQHH-FDDCHVKYSA-N 1 1 478.572 3.609 50 0 JHAAMO CCc1c(C(=O)N2CCN(c3ccc(C)cc3C)CC2)c(=O)cc(C)n1C[C@H]1CCC[N@@H+]1CC ZINC000015072835 555871638 /nfs/dbraw/zinc/87/16/38/555871638.db2.gz MBNBJCSDLUZFGU-HSZRJFAPSA-N 1 1 464.654 3.783 50 0 JHAAMO COc1cccc(CNc2ncnc3sc(C(=O)N4CCC([N@H+]5CCC[C@H](O)C5)CC4)c(C)c32)c1 ZINC000011996110 555878167 /nfs/dbraw/zinc/87/81/67/555878167.db2.gz RXVNJDQJVNIRDM-FQEVSTJZSA-N 1 1 495.649 3.682 50 0 JHAAMO O=C(Nc1ccccc1)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(SC(F)F)cc3)C2=O)CC1 ZINC000015470175 555910168 /nfs/dbraw/zinc/91/01/68/555910168.db2.gz QUPXITLHPPNDFJ-IBGZPJMESA-N 1 1 459.518 3.984 50 0 JHAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cc3ccc(F)cc3n(Cc3ccccn3)c2=O)C1 ZINC000012209856 555942719 /nfs/dbraw/zinc/94/27/19/555942719.db2.gz KWCIGFNRAFNCHF-FQEVSTJZSA-N 1 1 450.558 3.664 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000015722285 555956819 /nfs/dbraw/zinc/95/68/19/555956819.db2.gz KWMFTKZSUNMOAB-NRFANRHFSA-N 1 1 474.671 3.587 50 0 JHAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)n2)cc1OC ZINC000015726414 555964883 /nfs/dbraw/zinc/96/48/83/555964883.db2.gz ZHZWLXVNNFDWHZ-UHFFFAOYSA-N 1 1 470.957 3.936 50 0 JHAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCCCN(C)c4ccccc4)CC3)n2)cc1OC ZINC000015726518 555965165 /nfs/dbraw/zinc/96/51/65/555965165.db2.gz JGOLMCSVNFIQJJ-UHFFFAOYSA-N 1 1 493.608 3.609 50 0 JHAAMO O=C(NCc1ccccc1Cl)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908131 555965172 /nfs/dbraw/zinc/96/51/72/555965172.db2.gz VPKOPSGLUMRPMT-OAQYLSRUSA-N 1 1 453.995 3.934 50 0 JHAAMO O=C(NCc1ccccc1Cl)C(=O)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908131 555965174 /nfs/dbraw/zinc/96/51/74/555965174.db2.gz VPKOPSGLUMRPMT-OAQYLSRUSA-N 1 1 453.995 3.934 50 0 JHAAMO COc1ccc(OC)c(C[N@@H+]2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)c1 ZINC000015779689 555998184 /nfs/dbraw/zinc/99/81/84/555998184.db2.gz QKOKNEMCMJDXSD-UHFFFAOYSA-N 1 1 463.557 3.518 50 0 JHAAMO COc1ccc(OC)c(C[N@H+]2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)c1 ZINC000015779689 555998187 /nfs/dbraw/zinc/99/81/87/555998187.db2.gz QKOKNEMCMJDXSD-UHFFFAOYSA-N 1 1 463.557 3.518 50 0 JHAAMO COc1ccc(CCn2cnc3sc4c(c3c2=O)CC[C@H]([NH+]2CCN(C(C)C)CC2)C4)cc1 ZINC000023362213 556049433 /nfs/dbraw/zinc/04/94/33/556049433.db2.gz RLDOWENKRVLENY-FQEVSTJZSA-N 1 1 466.651 3.593 50 0 JHAAMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)sc2C1 ZINC000015880201 556052165 /nfs/dbraw/zinc/05/21/65/556052165.db2.gz XDCQVDOJIPQCMP-UHFFFAOYSA-N 1 1 462.641 3.727 50 0 JHAAMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)sc2C1 ZINC000015880201 556052169 /nfs/dbraw/zinc/05/21/69/556052169.db2.gz XDCQVDOJIPQCMP-UHFFFAOYSA-N 1 1 462.641 3.727 50 0 JHAAMO C[C@H](c1cccs1)[N@H+](C)Cn1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1=S ZINC000012561913 556055394 /nfs/dbraw/zinc/05/53/94/556055394.db2.gz NHDOEULIBOSTOJ-CQSZACIVSA-N 1 1 453.611 3.697 50 0 JHAAMO C[C@H](c1cccs1)[N@@H+](C)Cn1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1=S ZINC000012561913 556055395 /nfs/dbraw/zinc/05/53/95/556055395.db2.gz NHDOEULIBOSTOJ-CQSZACIVSA-N 1 1 453.611 3.697 50 0 JHAAMO O[C@@H](COC[C@H]1COc2ccccc2O1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023473275 556074321 /nfs/dbraw/zinc/07/43/21/556074321.db2.gz KJMNBTFDTVAIRH-FTJBHMTQSA-N 1 1 474.601 3.611 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000015990413 556102525 /nfs/dbraw/zinc/10/25/25/556102525.db2.gz HXWFCGOGBAZVCZ-LMMUWCHVSA-N 1 1 457.917 3.924 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015990413 556102527 /nfs/dbraw/zinc/10/25/27/556102527.db2.gz HXWFCGOGBAZVCZ-LMMUWCHVSA-N 1 1 457.917 3.924 50 0 JHAAMO CCOc1ccc(Br)cc1S(=O)(=O)NCc1cccc(Cn2cc[nH+]c2C)c1 ZINC000024687874 556145298 /nfs/dbraw/zinc/14/52/98/556145298.db2.gz KFDYNXCYIXMDHF-UHFFFAOYSA-N 1 1 464.385 3.880 50 0 JHAAMO COc1ccccc1[C@@H](CNC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)[NH+](C)C ZINC000024927320 556164137 /nfs/dbraw/zinc/16/41/37/556164137.db2.gz ACMLMZJIQGHZBG-HXUWFJFHSA-N 1 1 480.565 3.692 50 0 JHAAMO CCc1ccc([C@@H]([NH2+]CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c2cccs2)cc1 ZINC000012995195 556187433 /nfs/dbraw/zinc/18/74/33/556187433.db2.gz JCLQITIEAWJKMR-BFDGSKQISA-N 1 1 454.596 3.521 50 0 JHAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(Sc2nnc(CCC(N)=O)n2C2CC2)n1 ZINC000013001798 556194736 /nfs/dbraw/zinc/19/47/36/556194736.db2.gz DKXFKHLLJDELBB-UHFFFAOYSA-N 1 1 459.645 3.645 50 0 JHAAMO Cc1sc2nc(CN3CCC(C)CC3)nc(N3CCC[N@@H+](CC(=O)NC(C)C)CC3)c2c1C ZINC000013013158 556204532 /nfs/dbraw/zinc/20/45/32/556204532.db2.gz CIGIWZFUAZZZQL-UHFFFAOYSA-N 1 1 472.703 3.577 50 0 JHAAMO Cc1sc2nc(CN3CCC(C)CC3)nc(N3CCC[N@H+](CC(=O)NC(C)C)CC3)c2c1C ZINC000013013158 556204535 /nfs/dbraw/zinc/20/45/35/556204535.db2.gz CIGIWZFUAZZZQL-UHFFFAOYSA-N 1 1 472.703 3.577 50 0 JHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)n2)cc1 ZINC000017026495 556205983 /nfs/dbraw/zinc/20/59/83/556205983.db2.gz MUIRDVVLQAVRBX-UHFFFAOYSA-N 1 1 467.595 3.665 50 0 JHAAMO COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000027391396 556277788 /nfs/dbraw/zinc/27/77/88/556277788.db2.gz LAKQFROUDKPNRX-UHFFFAOYSA-N 1 1 459.612 3.799 50 0 JHAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)C(C)(C)C)cc1 ZINC000018143076 556293671 /nfs/dbraw/zinc/29/36/71/556293671.db2.gz YMNZTAGASHLJEL-AFXVXQJMSA-N 1 1 458.514 3.743 50 0 JHAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)C(C)(C)C)cc1 ZINC000018143076 556293674 /nfs/dbraw/zinc/29/36/74/556293674.db2.gz YMNZTAGASHLJEL-AFXVXQJMSA-N 1 1 458.514 3.743 50 0 JHAAMO COc1ccccc1[C@@H]1CCC[N@H+]1C1CCN(c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000019217883 556334533 /nfs/dbraw/zinc/33/45/33/556334533.db2.gz GXWLXNFSEKPBKR-MHZLTWQESA-N 1 1 492.664 3.563 50 0 JHAAMO CC1(C)NC(=O)N(CCCC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)C1=O ZINC000029255602 556349411 /nfs/dbraw/zinc/34/94/11/556349411.db2.gz APYSYHGHGCAHMV-UHFFFAOYSA-N 1 1 489.041 3.823 50 0 JHAAMO C[N@@H+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)[C@H](c2ccccc2)C1 ZINC000030029587 556363053 /nfs/dbraw/zinc/36/30/53/556363053.db2.gz ABUXTJZNPWOOKJ-SANMLTNESA-N 1 1 477.630 3.756 50 0 JHAAMO C[N@H+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)[C@H](c2ccccc2)C1 ZINC000030029587 556363055 /nfs/dbraw/zinc/36/30/55/556363055.db2.gz ABUXTJZNPWOOKJ-SANMLTNESA-N 1 1 477.630 3.756 50 0 JHAAMO CN1CCCN(C(=O)c2nc3sccn3c2C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000019810403 556381300 /nfs/dbraw/zinc/38/13/00/556381300.db2.gz NSJLXPMSKKDKRH-LEWJYISDSA-N 1 1 451.640 3.990 50 0 JHAAMO C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000031808766 556405617 /nfs/dbraw/zinc/40/56/17/556405617.db2.gz GXJGKMXZODJKHY-IBGZPJMESA-N 1 1 473.602 3.550 50 0 JHAAMO CSCC[C@H](NC(N)=O)C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000032809547 556499271 /nfs/dbraw/zinc/49/92/71/556499271.db2.gz YSMVNXDGXLKWQC-SFHVURJKSA-N 1 1 467.060 3.503 50 0 JHAAMO COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cc2)c1C ZINC000032841690 556507983 /nfs/dbraw/zinc/50/79/83/556507983.db2.gz BXWMZDOEVZCWPD-VWLOTQADSA-N 1 1 460.578 3.724 50 0 JHAAMO COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cc2)c1C ZINC000032841690 556507984 /nfs/dbraw/zinc/50/79/84/556507984.db2.gz BXWMZDOEVZCWPD-VWLOTQADSA-N 1 1 460.578 3.724 50 0 JHAAMO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)c2)C1 ZINC000032863817 556515494 /nfs/dbraw/zinc/51/54/94/556515494.db2.gz JSBOLWPPWVECFT-OYRHEFFESA-N 1 1 487.641 3.840 50 0 JHAAMO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)c2)C1 ZINC000032863817 556515498 /nfs/dbraw/zinc/51/54/98/556515498.db2.gz JSBOLWPPWVECFT-OYRHEFFESA-N 1 1 487.641 3.840 50 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O=C(COc1ccc(Cl)cc1)N1CCO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000034667042 569640218 /nfs/dbraw/zinc/64/02/18/569640218.db2.gz ADTZEWBSPUJUOG-QFIPXVFZSA-N 1 1 497.945 3.787 50 0 JHAAMO Cc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2cccc(F)c2)CC3)cc1 ZINC000034676639 569641391 /nfs/dbraw/zinc/64/13/91/569641391.db2.gz CSRFZHVLEPCYJP-UHFFFAOYSA-N 1 1 461.541 3.667 50 0 JHAAMO C[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061882 569655627 /nfs/dbraw/zinc/65/56/27/569655627.db2.gz HHFAZKBKLWTYAG-SFHVURJKSA-N 1 1 455.690 3.556 50 0 JHAAMO C[N@@H+](CCCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CCCCC1 ZINC000065062040 569655660 /nfs/dbraw/zinc/65/56/60/569655660.db2.gz UKMSKBALHZXLCU-UHFFFAOYSA-N 1 1 476.108 3.963 50 0 JHAAMO Cc1cc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)NCc2ccccc2)CC3)ccc1F ZINC000034757221 569656812 /nfs/dbraw/zinc/65/68/12/569656812.db2.gz CDWMZJPZWUGPMR-UHFFFAOYSA-N 1 1 490.583 3.736 50 0 JHAAMO 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Cc1ccc(C(=O)O[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1NC(=O)c1ccco1 ZINC000012720804 195097390 /nfs/dbraw/zinc/09/73/90/195097390.db2.gz JLHRZRGZFCGVHG-HXUWFJFHSA-N 1 1 475.545 3.730 50 0 JHAAMO COc1ccc(-c2nc(C(=O)NCCC[NH+]3CCOCC3)cc3c4ccccc4[nH]c32)cc1OC ZINC000020610152 195183344 /nfs/dbraw/zinc/18/33/44/195183344.db2.gz QPEGLQNCUNZLHA-UHFFFAOYSA-N 1 1 474.561 3.852 50 0 biogenic JHAAMO CCc1c(C(=O)NCC2([NH+]3CCOCC3)CCCCCC2)c(=O)cc(C)n1Cc1ccc(OC)cc1 ZINC000020920938 195247971 /nfs/dbraw/zinc/24/79/71/195247971.db2.gz UYMGDGPWZPKWHS-UHFFFAOYSA-N 1 1 495.664 3.931 50 0 JHAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1OC ZINC000021794809 195322136 /nfs/dbraw/zinc/32/21/36/195322136.db2.gz ZAPCAMIXPMSPFX-UHFFFAOYSA-N 1 1 469.567 3.947 50 0 JHAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CC(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000022787479 518727400 /nfs/dbraw/zinc/72/74/00/518727400.db2.gz LDNNWEANWMNMOQ-UHFFFAOYSA-N 1 1 454.640 3.699 50 0 JHAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(CC(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000022787479 518727405 /nfs/dbraw/zinc/72/74/05/518727405.db2.gz LDNNWEANWMNMOQ-UHFFFAOYSA-N 1 1 454.640 3.699 50 0 JHAAMO CC(C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)CN1CCOCC1 ZINC000036307612 519653279 /nfs/dbraw/zinc/65/32/79/519653279.db2.gz RUEOZXQKAFKTDD-HSZRJFAPSA-N 1 1 482.600 3.922 50 0 JHAAMO CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)NCCOc2ccccc2)C1 ZINC000014733328 519732523 /nfs/dbraw/zinc/73/25/23/519732523.db2.gz DKOKDLQRQKVHJW-BJKOFHAPSA-N 1 1 463.622 3.903 50 0 JHAAMO CC(C)c1nc2c(c(=O)n1CC(=O)N[C@@H]1CCc3ccccc31)CC[N@H+](Cc1ccccc1)C2 ZINC000033277359 519868728 /nfs/dbraw/zinc/86/87/28/519868728.db2.gz LCSLLXVTZHKAND-XMMPIXPASA-N 1 1 456.590 3.729 50 0 JHAAMO CC(C)c1nc2c(c(=O)n1CC(=O)N[C@@H]1CCc3ccccc31)CC[N@@H+](Cc1ccccc1)C2 ZINC000033277359 519868730 /nfs/dbraw/zinc/86/87/30/519868730.db2.gz LCSLLXVTZHKAND-XMMPIXPASA-N 1 1 456.590 3.729 50 0 JHAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F ZINC000036306730 520151968 /nfs/dbraw/zinc/15/19/68/520151968.db2.gz GWFBDIXASUQUHW-HXUWFJFHSA-N 1 1 457.546 3.864 50 0 JHAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]12 ZINC000036056326 520892918 /nfs/dbraw/zinc/89/29/18/520892918.db2.gz WCLPROWZLCLCAL-GGAORHGYSA-N 1 1 453.384 3.843 50 0 JHAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H](O)COc1ccccc1 ZINC000036151005 521679151 /nfs/dbraw/zinc/67/91/51/521679151.db2.gz UEDZODFIHYYNLQ-JOCHJYFZSA-N 1 1 451.567 3.830 50 0 JHAAMO COC(=O)c1ccc2c(c1)nc(N1CC[NH+](Cc3ccccc3)CC1)n(-c1cccc(OC)c1)c2=O ZINC000033300529 522185018 /nfs/dbraw/zinc/18/50/18/522185018.db2.gz JXTZMVVZIMBHAC-UHFFFAOYSA-N 1 1 484.556 3.503 50 0 JHAAMO COc1cc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)cc(OC)c1OC ZINC000009291072 522965021 /nfs/dbraw/zinc/96/50/21/522965021.db2.gz HYFJQHJCUXPUEQ-BJKOFHAPSA-N 1 1 469.501 3.912 50 0 JHAAMO CCn1c(C)cc(O)c([C@@H](c2ccccc2OC)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022696945 523139318 /nfs/dbraw/zinc/13/93/18/523139318.db2.gz ANPYHIDZXYBDGP-RUZDIDTESA-N 1 1 451.542 3.942 50 0 JHAAMO CCn1c2c(C(=O)Nc3ccc(C)c(F)c3)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000064967798 523254303 /nfs/dbraw/zinc/25/43/03/523254303.db2.gz ZRFWWZNLPNNYRC-UHFFFAOYSA-N 1 1 489.551 3.783 50 0 JHAAMO CCn1c2c(C(=O)Nc3ccc(C)c(F)c3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000064967798 523254307 /nfs/dbraw/zinc/25/43/07/523254307.db2.gz ZRFWWZNLPNNYRC-UHFFFAOYSA-N 1 1 489.551 3.783 50 0 JHAAMO CCn1c2c(C(=O)Nc3cccc(C)c3)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000064967771 523255616 /nfs/dbraw/zinc/25/56/16/523255616.db2.gz WYFBMQHTOORDGG-UHFFFAOYSA-N 1 1 471.561 3.644 50 0 JHAAMO CCn1c2c(C(=O)Nc3cccc(C)c3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000064967771 523255626 /nfs/dbraw/zinc/25/56/26/523255626.db2.gz WYFBMQHTOORDGG-UHFFFAOYSA-N 1 1 471.561 3.644 50 0 JHAAMO CCn1c2ccccc2c2cc(C[N@@H+]3CCc4nnc([C@@H](NS(C)(=O)=O)C(C)C)n4CC3)ccc21 ZINC000014881870 523273982 /nfs/dbraw/zinc/27/39/82/523273982.db2.gz AJIWWMKGYDJQAN-VWLOTQADSA-N 1 1 494.665 3.711 50 0 JHAAMO COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCCC[N@H+]4CCc5ccccc5C4)C3)n2)cc1 ZINC000033249501 523298772 /nfs/dbraw/zinc/29/87/72/523298772.db2.gz LCCYQMAMXHVREE-HSZRJFAPSA-N 1 1 475.593 3.526 50 0 JHAAMO CC[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971090 523776150 /nfs/dbraw/zinc/77/61/50/523776150.db2.gz RUQIIVCOLWISKI-JOCHJYFZSA-N 1 1 464.614 3.531 50 0 JHAAMO CCc1ccc(N2CC[C@@H](C(=O)NCC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 ZINC000046012246 523964979 /nfs/dbraw/zinc/96/49/79/523964979.db2.gz YCIIDFAYGVRTMJ-QHCPKHFHSA-N 1 1 488.554 3.559 50 0 JHAAMO COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CC[N@H+](Cc2c[nH]c4ccccc24)C3)cc1 ZINC000014748062 523987158 /nfs/dbraw/zinc/98/71/58/523987158.db2.gz KUUFODHFIPRLJR-UHFFFAOYSA-N 1 1 457.578 3.876 50 0 JHAAMO COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CC[N@@H+](Cc2c[nH]c4ccccc24)C3)cc1 ZINC000014748062 523987161 /nfs/dbraw/zinc/98/71/61/523987161.db2.gz KUUFODHFIPRLJR-UHFFFAOYSA-N 1 1 457.578 3.876 50 0 JHAAMO COc1ccc(C[N@H+]2CCc3c(C(=O)N(C)[C@@H](C)c4ccco4)c(OC)cc(=O)n3CC2)cc1C ZINC000020455486 524038625 /nfs/dbraw/zinc/03/86/25/524038625.db2.gz ZFSPAOVXFUXDGC-IBGZPJMESA-N 1 1 479.577 3.658 50 0 JHAAMO COc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)[C@@H](C)c4ccco4)c(OC)cc(=O)n3CC2)cc1C ZINC000020455486 524038629 /nfs/dbraw/zinc/03/86/29/524038629.db2.gz ZFSPAOVXFUXDGC-IBGZPJMESA-N 1 1 479.577 3.658 50 0 JHAAMO COc1ccccc1CCNC(=O)[C@@H]1C[C@H](n2cnnn2)C[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000014987273 524419185 /nfs/dbraw/zinc/41/91/85/524419185.db2.gz WHCQHTOLRSGARU-UIOOFZCWSA-N 1 1 482.588 3.523 50 0 JHAAMO COc1ccccc1CCNC(=O)[C@@H]1C[C@H](n2cnnn2)C[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000014987273 524419192 /nfs/dbraw/zinc/41/91/92/524419192.db2.gz WHCQHTOLRSGARU-UIOOFZCWSA-N 1 1 482.588 3.523 50 0 JHAAMO COc1ccccc1CNC(=O)c1c(OC)cc(=O)n2c1CC[N@H+](Cc1ccc(SC)cc1)CC2 ZINC000020453336 524479417 /nfs/dbraw/zinc/47/94/17/524479417.db2.gz ZUZRCAJBDKBIHH-UHFFFAOYSA-N 1 1 493.629 3.576 50 0 JHAAMO COc1ccccc1CNC(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](Cc1ccc(SC)cc1)CC2 ZINC000020453336 524479428 /nfs/dbraw/zinc/47/94/28/524479428.db2.gz ZUZRCAJBDKBIHH-UHFFFAOYSA-N 1 1 493.629 3.576 50 0 JHAAMO COc1ccc(NC(=O)N2CC[NH+](CCn3c(-c4ccccc4)nc4cccnc43)CC2)cc1OC ZINC000033139762 524547724 /nfs/dbraw/zinc/54/77/24/524547724.db2.gz NZGWVPZYUMTQIX-UHFFFAOYSA-N 1 1 486.576 3.965 50 0 JHAAMO Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)c(Br)c1 ZINC000035456234 525099462 /nfs/dbraw/zinc/09/94/62/525099462.db2.gz OZHJSBANEHMPNY-UHFFFAOYSA-N 1 1 481.394 3.820 50 0 JHAAMO Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)c(Br)c1 ZINC000035456234 525099469 /nfs/dbraw/zinc/09/94/69/525099469.db2.gz OZHJSBANEHMPNY-UHFFFAOYSA-N 1 1 481.394 3.820 50 0 JHAAMO Cc1cc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)ccc1Br ZINC000035456109 525165537 /nfs/dbraw/zinc/16/55/37/525165537.db2.gz VDHFTGKWEYWHPP-UHFFFAOYSA-N 1 1 481.394 3.820 50 0 JHAAMO Cc1cc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)ccc1Br ZINC000035456109 525165547 /nfs/dbraw/zinc/16/55/47/525165547.db2.gz VDHFTGKWEYWHPP-UHFFFAOYSA-N 1 1 481.394 3.820 50 0 JHAAMO Cc1cc(O)c([C@@H](c2ccncc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccco1 ZINC000022698364 525325671 /nfs/dbraw/zinc/32/56/71/525325671.db2.gz CUWQCEUTJRPQHB-AREMUKBSSA-N 1 1 474.536 3.949 50 0 JHAAMO Cc1cc(Oc2cnn(C)c(=O)c2Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)ccc1Cl ZINC000036073243 525389320 /nfs/dbraw/zinc/38/93/20/525389320.db2.gz LGXCPDVXANTWHN-UHFFFAOYSA-N 1 1 467.957 3.666 50 0 JHAAMO COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CC[N@H+](Cc2c(OC)ccc4ccccc42)CC3)c1 ZINC000014992702 525824799 /nfs/dbraw/zinc/82/47/99/525824799.db2.gz OTJZSLSGMHGMLF-IBGZPJMESA-N 1 1 485.588 3.998 50 0 JHAAMO Cc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCCC[N@@H+]5CCCC[C@H]5C)CC4)nn32)cc1 ZINC000033260304 525862275 /nfs/dbraw/zinc/86/22/75/525862275.db2.gz ZZDQXSKWTVYKMD-OAQYLSRUSA-N 1 1 475.641 3.697 50 0 JHAAMO COc1cccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4ccc(C)c(F)c4)[nH]c(=O)c3C2)c1 ZINC000021810421 525954957 /nfs/dbraw/zinc/95/49/57/525954957.db2.gz JMTNOXPHOYZHKP-UHFFFAOYSA-N 1 1 468.554 3.927 50 0 JHAAMO COc1cccc(C[N@H+]2CCc3nc(SCC(=O)Nc4ccc(C)c(F)c4)[nH]c(=O)c3C2)c1 ZINC000021810421 525954964 /nfs/dbraw/zinc/95/49/64/525954964.db2.gz JMTNOXPHOYZHKP-UHFFFAOYSA-N 1 1 468.554 3.927 50 0 JHAAMO Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)NCCC[N@@H+](Cc3ccccc3)C(C)C)n21 ZINC000020464913 526146672 /nfs/dbraw/zinc/14/66/72/526146672.db2.gz YGXBWNXDDAKXJA-OAQYLSRUSA-N 1 1 459.594 3.936 50 0 JHAAMO COc1cccc(Oc2c(C[N@H+](C[C@H](O)CN3CCOCC3)C3CC3)c(C)nn2-c2ccccc2)c1 ZINC000036303890 526241799 /nfs/dbraw/zinc/24/17/99/526241799.db2.gz GJGOMUICWYLPQQ-XMMPIXPASA-N 1 1 492.620 3.639 50 0 JHAAMO COc1cccc(Oc2c(C[N@@H+](C[C@H](O)CN3CCOCC3)C3CC3)c(C)nn2-c2ccccc2)c1 ZINC000036303890 526241802 /nfs/dbraw/zinc/24/18/02/526241802.db2.gz GJGOMUICWYLPQQ-XMMPIXPASA-N 1 1 492.620 3.639 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O ZINC000008610791 526247306 /nfs/dbraw/zinc/24/73/06/526247306.db2.gz GIVZVNHUFAVLJK-FQEVSTJZSA-N 1 1 489.595 3.919 50 0 aggregator JHAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCCCn1nnc2ccccc21 ZINC000014888735 526496521 /nfs/dbraw/zinc/49/65/21/526496521.db2.gz UDIDCKRJYFBIJZ-AREMUKBSSA-N 1 1 455.562 3.964 50 0 JHAAMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014897554 526574473 /nfs/dbraw/zinc/57/44/73/526574473.db2.gz LSKUAFHXQMSMMJ-UHFFFAOYSA-N 1 1 475.586 3.566 50 0 JHAAMO O=C(COC(=O)c1ccc2n[nH]cc2c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000024983159 526914632 /nfs/dbraw/zinc/91/46/32/526914632.db2.gz XUDVPSBJROXGBG-UHFFFAOYSA-N 1 1 454.530 3.654 50 0 JHAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@@H+](Cc1ccccc1)CC2)NCc1cccs1 ZINC000035456595 527351176 /nfs/dbraw/zinc/35/11/76/527351176.db2.gz DTNOQCFHJIDRFO-UHFFFAOYSA-N 1 1 488.588 3.986 50 0 JHAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2)NCc1cccs1 ZINC000035456595 527351181 /nfs/dbraw/zinc/35/11/81/527351181.db2.gz DTNOQCFHJIDRFO-UHFFFAOYSA-N 1 1 488.588 3.986 50 0 JHAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@@H](O)CN2CCOCC2)CC2CC2)c1Oc1ccc(F)cc1 ZINC000036307830 527537179 /nfs/dbraw/zinc/53/71/79/527537179.db2.gz RDXUJLAJHQWFAR-DEOSSOPVSA-N 1 1 494.611 3.924 50 0 JHAAMO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCN(c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000033071564 527667948 /nfs/dbraw/zinc/66/79/48/527667948.db2.gz KSRNEUAXTCJCPN-HXUWFJFHSA-N 1 1 481.044 3.761 50 0 JHAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000008746784 554650055 /nfs/dbraw/zinc/65/00/55/554650055.db2.gz XCWCMOJUJDOJBV-UHFFFAOYSA-N 1 1 496.574 3.595 50 0 JHAAMO CCOC(=O)c1sc2nc(CSc3ccccc3)nc(NC3CC[NH+](CC(N)=O)CC3)c2c1C ZINC000008938007 554830952 /nfs/dbraw/zinc/83/09/52/554830952.db2.gz VCQUVTPTPBJCKP-UHFFFAOYSA-N 1 1 499.662 3.830 50 0 JHAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000009086829 554888978 /nfs/dbraw/zinc/88/89/78/554888978.db2.gz LGFPJEZXHKNMDN-GGAORHGYSA-N 1 1 472.566 3.820 50 0 JHAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000009086829 554888979 /nfs/dbraw/zinc/88/89/79/554888979.db2.gz LGFPJEZXHKNMDN-GGAORHGYSA-N 1 1 472.566 3.820 50 0 JHAAMO COC(=O)c1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1 ZINC000009293400 555068801 /nfs/dbraw/zinc/06/88/01/555068801.db2.gz RKNHEBBBRCJPIE-DNQXCXABSA-N 1 1 451.486 3.981 50 0 JHAAMO Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc12 ZINC000009597570 555414727 /nfs/dbraw/zinc/41/47/27/555414727.db2.gz PPJLGRPBBLPMAW-OYRHEFFESA-N 1 1 495.668 3.583 50 0 JHAAMO Cc1ccc(C)c(CN2[NH+]=C(C)Cn3c2nc2c3c(=O)n(Cc3cc(C)ccc3C)c(=O)n2C)c1 ZINC000009707509 555430496 /nfs/dbraw/zinc/43/04/96/555430496.db2.gz IFFCAUHBAQSZPR-UHFFFAOYSA-N 1 1 470.577 3.575 50 0 JHAAMO O=C(CCc1nnc2ccc(NCc3ccccc3Cl)nn21)NC[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000009744047 555475583 /nfs/dbraw/zinc/47/55/83/555475583.db2.gz CACFTUXWFCSINI-GOSISDBHSA-N 1 1 482.032 3.703 50 0 JHAAMO C[C@@H](C(=O)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1)c1n[nH]c(=O)c2ccccc21 ZINC000019866606 555521397 /nfs/dbraw/zinc/52/13/97/555521397.db2.gz IEQAWYCHGBSWSI-CJAUYULYSA-N 1 1 486.547 3.918 50 0 JHAAMO C[C@@H](C(=O)NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1)c1n[nH]c(=O)c2ccccc21 ZINC000019866606 555521401 /nfs/dbraw/zinc/52/14/01/555521401.db2.gz IEQAWYCHGBSWSI-CJAUYULYSA-N 1 1 486.547 3.918 50 0 JHAAMO Cc1cc(C)cc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000019869034 555523600 /nfs/dbraw/zinc/52/36/00/555523600.db2.gz XYEDPCFFHUZGPN-UHFFFAOYSA-N 1 1 477.630 3.843 50 0 JHAAMO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCc4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000019890200 555529852 /nfs/dbraw/zinc/52/98/52/555529852.db2.gz WBSPKXSSWKJGHI-DEOSSOPVSA-N 1 1 464.562 3.849 50 0 JHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000009836151 555541473 /nfs/dbraw/zinc/54/14/73/555541473.db2.gz MSWPKETUEDUQGV-OYHNWAKOSA-N 1 1 463.365 3.791 50 0 JHAAMO CC[C@@H](C)[N@@H+](CCCNC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O)Cc1ccco1 ZINC000009857737 555558964 /nfs/dbraw/zinc/55/89/64/555558964.db2.gz WBKIROJFBVUOMA-OAQYLSRUSA-N 1 1 487.604 3.782 50 0 JHAAMO O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)NCCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000009857765 555558986 /nfs/dbraw/zinc/55/89/86/555558986.db2.gz FWNZUKMZDAEQQT-UHFFFAOYSA-N 1 1 499.615 3.926 50 0 JHAAMO COc1ccc(-c2coc3cc(OCC(=O)N4CC[NH+](CCc5ccncc5)CC4)ccc3c2=O)cc1 ZINC000013693753 555588672 /nfs/dbraw/zinc/58/86/72/555588672.db2.gz JLAUTQUXURDHEQ-UHFFFAOYSA-N 1 1 499.567 3.629 50 0 biogenic JHAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c(OC)c1 ZINC000010056173 555607784 /nfs/dbraw/zinc/60/77/84/555607784.db2.gz UGHURQLSSOCYQY-QHCPKHFHSA-N 1 1 469.557 3.531 50 0 JHAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c(OC)c1 ZINC000010056173 555607789 /nfs/dbraw/zinc/60/77/89/555607789.db2.gz UGHURQLSSOCYQY-QHCPKHFHSA-N 1 1 469.557 3.531 50 0 JHAAMO O=C([C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020138907 555661992 /nfs/dbraw/zinc/66/19/92/555661992.db2.gz DDKQLHHRZLNOCH-SVBPBHIXSA-N 1 1 451.570 3.868 50 0 JHAAMO C[C@@H](C(=O)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccsc2)C1)c1n[nH]c(=O)c2ccccc21 ZINC000020149139 555664764 /nfs/dbraw/zinc/66/47/64/555664764.db2.gz QFFILLQJYTYKPT-HXOBKFHXSA-N 1 1 474.586 3.840 50 0 JHAAMO C[C@@H](C(=O)NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccsc2)C1)c1n[nH]c(=O)c2ccccc21 ZINC000020149139 555664767 /nfs/dbraw/zinc/66/47/67/555664767.db2.gz QFFILLQJYTYKPT-HXOBKFHXSA-N 1 1 474.586 3.840 50 0 JHAAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccccc2C[NH+]2CCOCC2)nc1 ZINC000014112736 555691025 /nfs/dbraw/zinc/69/10/25/555691025.db2.gz DQTUNGDDGABGFL-UHFFFAOYSA-N 1 1 466.607 3.741 50 0 JHAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1C ZINC000014123944 555695620 /nfs/dbraw/zinc/69/56/20/555695620.db2.gz QBCFYFYAOKUPQJ-UHFFFAOYSA-N 1 1 465.623 3.955 50 0 JHAAMO Cc1sc2nc(CN3CCCC3)nc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2c1C ZINC000014123944 555695627 /nfs/dbraw/zinc/69/56/27/555695627.db2.gz QBCFYFYAOKUPQJ-UHFFFAOYSA-N 1 1 465.623 3.955 50 0 JHAAMO Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)cc1 ZINC000014246456 555749399 /nfs/dbraw/zinc/74/93/99/555749399.db2.gz IJNFFXGYQISPGV-HSZRJFAPSA-N 1 1 493.629 3.590 50 0 JHAAMO CCOC(=O)C1=C(C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020284033 555753486 /nfs/dbraw/zinc/75/34/86/555753486.db2.gz CGQJXNSKAZSNKG-NTKDMRAZSA-N 1 1 479.577 3.673 50 0 JHAAMO CCOC(=O)C1=C(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020284033 555753490 /nfs/dbraw/zinc/75/34/90/555753490.db2.gz CGQJXNSKAZSNKG-NTKDMRAZSA-N 1 1 479.577 3.673 50 0 JHAAMO CCN1CC[NH+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(C)cc2)S3)CC1 ZINC000020355341 555782998 /nfs/dbraw/zinc/78/29/98/555782998.db2.gz PZWZTKVRULJTCT-JJIBRWJFSA-N 1 1 464.635 3.838 50 0 JHAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH+]2CCN(c3nccs3)CC2)cc1 ZINC000011506028 555784791 /nfs/dbraw/zinc/78/47/91/555784791.db2.gz ZOFBPJSKWYURBT-UHFFFAOYSA-N 1 1 465.579 3.555 50 0 JHAAMO CCOC(=O)[C@H]1CCCC[N@H+]1C1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 ZINC000011785489 555818065 /nfs/dbraw/zinc/81/80/65/555818065.db2.gz CXAJBJHVPKTVBP-XMMPIXPASA-N 1 1 493.604 3.732 50 0 JHAAMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(NCc3ccsc3)cc(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000014532763 555821047 /nfs/dbraw/zinc/82/10/47/555821047.db2.gz ODOLHGJMLPIWFV-QGZVFWFLSA-N 1 1 478.684 3.509 50 0 JHAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccc(OCCO)cc2)CCO3)C1 ZINC000011871376 555846728 /nfs/dbraw/zinc/84/67/28/555846728.db2.gz VNYNZYKOTWFTQL-RUZDIDTESA-N 1 1 495.664 3.533 50 0 JHAAMO Cc1cc(=O)c(C(=O)NCC[C@H]2CCC[N@@H+]2C)c(CCc2ccccc2)n1Cc1ccccn1 ZINC000011910693 555858336 /nfs/dbraw/zinc/85/83/36/555858336.db2.gz DADBHZMEXLJJIC-XMMPIXPASA-N 1 1 458.606 3.599 50 0 JHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ncc3c(n2)-c2cc(OC)ccc2CC3)c1C1CC1 ZINC000012027917 555886258 /nfs/dbraw/zinc/88/62/58/555886258.db2.gz LVXDBXMYGFIZKE-FQEVSTJZSA-N 1 1 472.593 3.528 50 0 JHAAMO COc1ccccc1[C@@H]1C[N@H+](CCNC(=O)[C@H](c2cccnc2)N2CCCC2)Cc2ccccc2O1 ZINC000012134556 555912643 /nfs/dbraw/zinc/91/26/43/555912643.db2.gz SLJCRELKIUPRBY-NSOVKSMOSA-N 1 1 486.616 3.979 50 0 JHAAMO COc1ccccc1[C@@H]1C[N@@H+](CCNC(=O)[C@H](c2cccnc2)N2CCCC2)Cc2ccccc2O1 ZINC000012134556 555912646 /nfs/dbraw/zinc/91/26/46/555912646.db2.gz SLJCRELKIUPRBY-NSOVKSMOSA-N 1 1 486.616 3.979 50 0 JHAAMO CCn1c(SCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)nnc1-c1cccc(Cl)c1 ZINC000022358715 555925640 /nfs/dbraw/zinc/92/56/40/555925640.db2.gz FGYJQSFYWILBTP-UHFFFAOYSA-N 1 1 486.041 3.859 50 0 JHAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)C2CC2)C1 ZINC000012191454 555938873 /nfs/dbraw/zinc/93/88/73/555938873.db2.gz ZGQORTKRGSEFQI-INIZCTEOSA-N 1 1 472.611 3.512 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000015722282 555956933 /nfs/dbraw/zinc/95/69/33/555956933.db2.gz KWMFTKZSUNMOAB-OAQYLSRUSA-N 1 1 474.671 3.587 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1 ZINC000015726164 555963442 /nfs/dbraw/zinc/96/34/42/555963442.db2.gz XERLAZKEBVGKJP-QGZVFWFLSA-N 1 1 452.511 3.613 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1 ZINC000015726164 555963446 /nfs/dbraw/zinc/96/34/46/555963446.db2.gz XERLAZKEBVGKJP-QGZVFWFLSA-N 1 1 452.511 3.613 50 0 JHAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)NCc4ccc(C)cc4)C3)n2)cc1OC ZINC000015726131 555963477 /nfs/dbraw/zinc/96/34/77/555963477.db2.gz SKOZOGIPVZEMSO-FQEVSTJZSA-N 1 1 450.539 3.591 50 0 JHAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)NCc4ccc(C)cc4)C3)n2)cc1OC ZINC000015726131 555963482 /nfs/dbraw/zinc/96/34/82/555963482.db2.gz SKOZOGIPVZEMSO-FQEVSTJZSA-N 1 1 450.539 3.591 50 0 JHAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)NCc4ccc(C)cc4)C3)n2)cc1OC ZINC000015726129 555963502 /nfs/dbraw/zinc/96/35/02/555963502.db2.gz SKOZOGIPVZEMSO-HXUWFJFHSA-N 1 1 450.539 3.591 50 0 JHAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)NCc4ccc(C)cc4)C3)n2)cc1OC ZINC000015726129 555963505 /nfs/dbraw/zinc/96/35/05/555963505.db2.gz SKOZOGIPVZEMSO-HXUWFJFHSA-N 1 1 450.539 3.591 50 0 JHAAMO CC(C)[N@@H+](CCCNC(=O)c1cccn1-c1nnc(N2CCCC2)s1)Cc1ccccc1 ZINC000015731324 555974376 /nfs/dbraw/zinc/97/43/76/555974376.db2.gz MTPBYYOYYBYSPH-UHFFFAOYSA-N 1 1 452.628 3.960 50 0 JHAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000022932776 555985690 /nfs/dbraw/zinc/98/56/90/555985690.db2.gz PMZNRDZOMXDGOS-RUZDIDTESA-N 1 1 458.562 3.784 50 0 JHAAMO Cc1ccc(-n2ncc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)c2-n2cccc2)cc1 ZINC000022936532 555989430 /nfs/dbraw/zinc/98/94/30/555989430.db2.gz GOTRVUGSJSFJEM-UHFFFAOYSA-N 1 1 482.632 3.909 50 0 JHAAMO Cc1cccc(-n2ncc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)c2-n2cccc2)c1 ZINC000022937300 555990299 /nfs/dbraw/zinc/99/02/99/555990299.db2.gz PHDSUOSVCDHDOL-UHFFFAOYSA-N 1 1 482.632 3.909 50 0 JHAAMO COc1ccc(C(=O)NC[C@H](C(C)C)[NH+](C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000023055095 556003365 /nfs/dbraw/zinc/00/33/65/556003365.db2.gz PVUITNZOFUWPAM-GOSISDBHSA-N 1 1 498.443 3.575 50 0 JHAAMO COc1cc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc(I)c1O ZINC000023281527 556037908 /nfs/dbraw/zinc/03/79/08/556037908.db2.gz XTMVOZBERHQEEO-VMPITWQZSA-N 1 1 464.347 3.836 50 0 JHAAMO CC[NH+]1CCN(C2CCN(C(=O)C3CCN(c4nc(C)c5cc(C(C)C)ccc5n4)CC3)CC2)CC1 ZINC000023361475 556049405 /nfs/dbraw/zinc/04/94/05/556049405.db2.gz GWEFBLBVZCNJIR-UHFFFAOYSA-N 1 1 492.712 3.907 50 0 JHAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000012568378 556068731 /nfs/dbraw/zinc/06/87/31/556068731.db2.gz DBOOQDLRHDDDME-DEOSSOPVSA-N 1 1 479.602 3.988 50 0 JHAAMO Cn1c(CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2ccccc2c1=O ZINC000023934980 556101449 /nfs/dbraw/zinc/10/14/49/556101449.db2.gz BKMCWTHLJZYFCA-UHFFFAOYSA-N 1 1 466.585 3.800 50 0 JHAAMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015998917 556103950 /nfs/dbraw/zinc/10/39/50/556103950.db2.gz AYRAODBRFZDFIE-NLJXWPIHSA-N 1 1 451.526 3.685 50 0 JHAAMO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000012781273 556111514 /nfs/dbraw/zinc/11/15/14/556111514.db2.gz IQJSUYDGODWFGG-JOCHJYFZSA-N 1 1 494.057 3.946 50 0 JHAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016033859 556117988 /nfs/dbraw/zinc/11/79/88/556117988.db2.gz SQGDFTCDZPGDGK-NLJXWPIHSA-N 1 1 451.526 3.833 50 0 JHAAMO O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000024148292 556124544 /nfs/dbraw/zinc/12/45/44/556124544.db2.gz BOJWUVAXQGWKGH-UHFFFAOYSA-N 1 1 464.569 3.839 50 0 JHAAMO CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000024573770 556136503 /nfs/dbraw/zinc/13/65/03/556136503.db2.gz BOXKTWQFMVUEQC-QFIPXVFZSA-N 1 1 460.043 3.844 50 0 JHAAMO CN(C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C1CC[NH+](C)CC1 ZINC000025390753 556212109 /nfs/dbraw/zinc/21/21/09/556212109.db2.gz JESILSMZYZVASO-UHFFFAOYSA-N 1 1 456.395 3.960 50 0 JHAAMO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(O)(c4ccc(Br)cc4)CC3)C2=O)cc1 ZINC000018323955 556319605 /nfs/dbraw/zinc/31/96/05/556319605.db2.gz BQNZCWOUXYITEC-NRFANRHFSA-N 1 1 487.394 3.853 50 0 JHAAMO O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029072827 556346064 /nfs/dbraw/zinc/34/60/64/556346064.db2.gz KRLDSRISJLPNQG-HXUWFJFHSA-N 1 1 479.524 3.657 50 0 JHAAMO CNC(=O)C1CC[NH+](CC(=O)N(Cc2ccccc2)c2nc3c(ccc(C)c3C)s2)CC1 ZINC000029164302 556348515 /nfs/dbraw/zinc/34/85/15/556348515.db2.gz IVVAWLJWGOYSHP-UHFFFAOYSA-N 1 1 450.608 3.904 50 0 JHAAMO COC(=O)c1c(OCc2ccccc2)cc(=O)n2c1CC[N@H+](Cc1cccc(Cl)c1)CC2 ZINC000019740214 556364059 /nfs/dbraw/zinc/36/40/59/556364059.db2.gz NEPYYMOMQZLBIP-UHFFFAOYSA-N 1 1 452.938 3.926 50 0 JHAAMO COC(=O)c1c(OCc2ccccc2)cc(=O)n2c1CC[N@@H+](Cc1cccc(Cl)c1)CC2 ZINC000019740214 556364061 /nfs/dbraw/zinc/36/40/61/556364061.db2.gz NEPYYMOMQZLBIP-UHFFFAOYSA-N 1 1 452.938 3.926 50 0 JHAAMO C[NH+]1CCN(C(=O)/C(=C/c2ccc(Br)cc2)NC(=O)c2ccccc2Cl)CC1 ZINC000019782171 556369627 /nfs/dbraw/zinc/36/96/27/556369627.db2.gz BBZSAIQKSMSFNW-RGEXLXHISA-N 1 1 462.775 3.647 50 0 JHAAMO Cc1ccccc1N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(C)(=O)=O ZINC000019812560 556382475 /nfs/dbraw/zinc/38/24/75/556382475.db2.gz QXKVJEJDIUWICF-UHFFFAOYSA-N 1 1 477.630 3.695 50 0 JHAAMO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)c2)C1 ZINC000032863821 556515350 /nfs/dbraw/zinc/51/53/50/556515350.db2.gz 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QJCKRVGJOYESTC-CQSZACIVSA-N 1 1 471.535 3.703 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)c2ccoc2)C1 ZINC000055253327 569591394 /nfs/dbraw/zinc/59/13/94/569591394.db2.gz QJCKRVGJOYESTC-CQSZACIVSA-N 1 1 471.535 3.703 50 0 JHAAMO COc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000008720251 569597932 /nfs/dbraw/zinc/59/79/32/569597932.db2.gz OKERRMJBQODCNY-UHFFFAOYSA-N 1 1 459.612 3.800 50 0 JHAAMO CC(=O)N(c1nc(CN(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cs1)c1cccc(C)c1 ZINC000008723539 569599269 /nfs/dbraw/zinc/59/92/69/569599269.db2.gz JFAZOXVGYCXIGL-UHFFFAOYSA-N 1 1 491.661 3.912 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000032974057 569605358 /nfs/dbraw/zinc/60/53/58/569605358.db2.gz MEQPJFAZBLCVFP-OAQYLSRUSA-N 1 1 470.079 3.902 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000032995232 569610127 /nfs/dbraw/zinc/61/01/27/569610127.db2.gz XKSJZIPDQRFFPJ-OAHLLOKOSA-N 1 1 450.008 3.757 50 0 JHAAMO C[N@@H+](CCNC(=O)c1cccc(Cn2c(=O)c3cccn3c3cccnc32)c1)Cc1ccccc1 ZINC000033018549 569618336 /nfs/dbraw/zinc/61/83/36/569618336.db2.gz IJMYZRKSQBMTMW-UHFFFAOYSA-N 1 1 465.557 3.559 50 0 JHAAMO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)c1 ZINC000064802151 569631965 /nfs/dbraw/zinc/63/19/65/569631965.db2.gz HEPWFHMIDABZTA-UHFFFAOYSA-N 1 1 453.568 3.783 50 0 JHAAMO Cn1c2c(C(=O)Nc3cccc(C(F)(F)F)c3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064836058 569636677 /nfs/dbraw/zinc/63/66/77/569636677.db2.gz KQUOFKHERWDWDW-UHFFFAOYSA-N 1 1 481.478 3.862 50 0 JHAAMO COc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)COc4ccccc4)cn3)CC2)c(OC)c1 ZINC000034681987 569643740 /nfs/dbraw/zinc/64/37/40/569643740.db2.gz GVJUUBKQILRDPP-UHFFFAOYSA-N 1 1 476.577 3.829 50 0 JHAAMO O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2cccs2)c1)NCCC[NH+]1CCOCC1 ZINC000034685494 569645008 /nfs/dbraw/zinc/64/50/08/569645008.db2.gz GGIFCLBCSGVYRN-UHFFFAOYSA-N 1 1 477.630 3.976 50 0 JHAAMO Cc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccc(F)cc2)CC3)cc1 ZINC000034757908 569657122 /nfs/dbraw/zinc/65/71/22/569657122.db2.gz WXKMBTKATKTUSC-UHFFFAOYSA-N 1 1 461.541 3.667 50 0 JHAAMO COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1CN(C(=O)OCc1ccccc1)CC2 ZINC000034758962 569657446 /nfs/dbraw/zinc/65/74/46/569657446.db2.gz NPLQGYBQVDAXBZ-UHFFFAOYSA-N 1 1 489.576 3.724 50 0 JHAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)C1CCCC1 ZINC000034829603 569663109 /nfs/dbraw/zinc/66/31/09/569663109.db2.gz PXAQKJBWOMACTK-DFBJGRDBSA-N 1 1 451.636 3.945 50 0 JHAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)C1CCCC1 ZINC000034829603 569663110 /nfs/dbraw/zinc/66/31/10/569663110.db2.gz PXAQKJBWOMACTK-DFBJGRDBSA-N 1 1 451.636 3.945 50 0 JHAAMO O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CO2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035377598 569685266 /nfs/dbraw/zinc/68/52/66/569685266.db2.gz RDAAJARLSUQBAN-UHFFFAOYSA-N 1 1 459.521 3.709 50 0 JHAAMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)C[C@@H](C)O1 ZINC000070012587 569694775 /nfs/dbraw/zinc/69/47/75/569694775.db2.gz VWZKUCWLKSSCDV-SBHAEUEKSA-N 1 1 498.089 3.619 50 0 JHAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)ccn1 ZINC000071813614 569698684 /nfs/dbraw/zinc/69/86/84/569698684.db2.gz JLUNSOJKQHBXFW-QFIPXVFZSA-N 1 1 453.546 3.898 50 0 JHAAMO CCCCNC(=O)N(CCC[NH+]1CCOCC1)CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1 ZINC000035766416 569709922 /nfs/dbraw/zinc/70/99/22/569709922.db2.gz FBYPEBGYRSYFFQ-UHFFFAOYSA-N 1 1 484.641 3.651 50 0 JHAAMO CCOC(=O)CCC[N@@H+](CCCOC)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035844864 569715338 /nfs/dbraw/zinc/71/53/38/569715338.db2.gz KSHVODGDRNBEDE-UHFFFAOYSA-N 1 1 458.599 3.841 50 0 JHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035851967 569716756 /nfs/dbraw/zinc/71/67/56/569716756.db2.gz NZUUMSPNDGSIAF-PRHHBONVSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035851967 569716757 /nfs/dbraw/zinc/71/67/57/569716757.db2.gz NZUUMSPNDGSIAF-PRHHBONVSA-N 1 1 456.329 3.733 50 0 JHAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)NCc1ccncc1)C2 ZINC000035871732 569718984 /nfs/dbraw/zinc/71/89/84/569718984.db2.gz XQXIWTZFDQYWAV-AOYPEHQESA-N 1 1 477.008 3.923 50 0 JHAAMO COCCn1c(SCc2ccccc2C(=O)N2CC[NH+](C)CC2)nnc1-c1ccccc1Cl ZINC000095925496 569730067 /nfs/dbraw/zinc/73/00/67/569730067.db2.gz PXYWBDBCPMNWJF-UHFFFAOYSA-N 1 1 486.041 3.925 50 0 JHAAMO COc1cc(C(=O)Nc2cccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2)cc2c1OCCO2 ZINC000096116482 569735524 /nfs/dbraw/zinc/73/55/24/569735524.db2.gz QCIPPPVAKZLFNS-SIKLNZKXSA-N 1 1 479.577 3.713 50 0 biogenic JHAAMO CC1CCC2(CC1)OC[C@@H](C(=O)N1CC[NH+](C)CC1)N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000035981572 569742802 /nfs/dbraw/zinc/74/28/02/569742802.db2.gz KDODXSKJJHHVTL-WDALLZDZSA-N 1 1 454.398 3.515 50 0 JHAAMO CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)C2=O)cc1 ZINC000100210905 569755454 /nfs/dbraw/zinc/75/54/54/569755454.db2.gz JYDWJAXWSGOTRZ-QHCPKHFHSA-N 1 1 492.963 3.519 50 0 JHAAMO Cc1ccc(Cc2c(C)nc(C)nc2N2CC[NH+](C[C@@H](O)COc3ccccc3C)CC2)cc1 ZINC000036340488 569763917 /nfs/dbraw/zinc/76/39/17/569763917.db2.gz UNLTWTTYAHHYRP-RUZDIDTESA-N 1 1 460.622 3.863 50 0 JHAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000036342273 569765610 /nfs/dbraw/zinc/76/56/10/569765610.db2.gz XRXZEPSOOXMANF-HSZRJFAPSA-N 1 1 469.969 3.865 50 0 JHAAMO COc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000036342900 569766180 /nfs/dbraw/zinc/76/61/80/569766180.db2.gz VOTNZHAPHIUGEV-RUZDIDTESA-N 1 1 463.578 3.829 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000036345615 569767993 /nfs/dbraw/zinc/76/79/93/569767993.db2.gz PCPXWTVASYEVPH-KNQAVFIVSA-N 1 1 481.524 3.507 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000036345615 569767995 /nfs/dbraw/zinc/76/79/95/569767995.db2.gz PCPXWTVASYEVPH-KNQAVFIVSA-N 1 1 481.524 3.507 50 0 JHAAMO Cc1sc2nc(CS[C@@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)[nH]c(=O)c2c1C ZINC000036697683 569780077 /nfs/dbraw/zinc/78/00/77/569780077.db2.gz BIYKOMTWKNFGHK-WMZOPIPTSA-N 1 1 456.637 3.614 50 0 JHAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101343421 569793650 /nfs/dbraw/zinc/79/36/50/569793650.db2.gz BWYQYIZSZDPTBN-YQYRJILISA-N 1 1 456.329 3.733 50 0 JHAAMO CC(C)c1nc2c(c(=O)n1CC(=O)NCc1ccc(Cl)cc1)CC[N@H+](Cc1ccccc1)C2 ZINC000101798652 569805133 /nfs/dbraw/zinc/80/51/33/569805133.db2.gz BELHSZXAIYUMCP-UHFFFAOYSA-N 1 1 464.997 3.895 50 0 JHAAMO CC(C)c1nc2c(c(=O)n1CC(=O)NCc1ccc(Cl)cc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000101798652 569805135 /nfs/dbraw/zinc/80/51/35/569805135.db2.gz BELHSZXAIYUMCP-UHFFFAOYSA-N 1 1 464.997 3.895 50 0 JHAAMO CC(C)c1nc2c(c(=O)n1CC(=O)NCc1cc(F)cc(F)c1)CC[N@H+](Cc1ccccc1)C2 ZINC000101798646 569805261 /nfs/dbraw/zinc/80/52/61/569805261.db2.gz NWGBXBJWTSOWAG-UHFFFAOYSA-N 1 1 466.532 3.520 50 0 JHAAMO CC(C)c1nc2c(c(=O)n1CC(=O)NCc1cc(F)cc(F)c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000101798646 569805262 /nfs/dbraw/zinc/80/52/62/569805262.db2.gz NWGBXBJWTSOWAG-UHFFFAOYSA-N 1 1 466.532 3.520 50 0 JHAAMO Cc1noc(C)c1CSc1ncccc1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000040087046 569815835 /nfs/dbraw/zinc/81/58/35/569815835.db2.gz QWMZWDIVNIOXQH-UHFFFAOYSA-N 1 1 479.650 3.916 50 0 JHAAMO O=C(C[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000040135392 569817419 /nfs/dbraw/zinc/81/74/19/569817419.db2.gz NXRFDZUIUKDMID-FQEVSTJZSA-N 1 1 466.607 3.771 50 0 JHAAMO O=C(C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000040135392 569817420 /nfs/dbraw/zinc/81/74/20/569817420.db2.gz NXRFDZUIUKDMID-FQEVSTJZSA-N 1 1 466.607 3.771 50 0 JHAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)Nc1ccc(Br)cc1 ZINC000040149628 569819166 /nfs/dbraw/zinc/81/91/66/569819166.db2.gz HLYOXGCFNIDMHJ-UHFFFAOYSA-N 1 1 451.752 3.787 50 0 JHAAMO CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2F)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103243091 569834030 /nfs/dbraw/zinc/83/40/30/569834030.db2.gz QTDDJOFWHFSPKG-JOCHJYFZSA-N 1 1 472.586 3.516 50 0 JHAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000104938365 569847468 /nfs/dbraw/zinc/84/74/68/569847468.db2.gz MVKSTUUOBBQJRN-ZJSXRUAMSA-N 1 1 485.625 3.989 50 0 JHAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000104938365 569847469 /nfs/dbraw/zinc/84/74/69/569847469.db2.gz MVKSTUUOBBQJRN-ZJSXRUAMSA-N 1 1 485.625 3.989 50 0 JHAAMO CC(C)[C@H](C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000107349854 569856369 /nfs/dbraw/zinc/85/63/69/569856369.db2.gz WICHQHIYRQSFCR-LVCYWYKZSA-N 1 1 451.011 3.540 50 0 JHAAMO CC(C)[C@H](C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000107349854 569856370 /nfs/dbraw/zinc/85/63/70/569856370.db2.gz WICHQHIYRQSFCR-LVCYWYKZSA-N 1 1 451.011 3.540 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@@H](O)COCC ZINC000169679246 569869655 /nfs/dbraw/zinc/86/96/55/569869655.db2.gz DXUYJOQAAKCDIC-IFMALSPDSA-N 1 1 460.640 3.671 50 0 JHAAMO C[C@@H](C(=O)NCC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1)c1n[nH]c(=O)c2ccccc21 ZINC000216137203 569877837 /nfs/dbraw/zinc/87/78/37/569877837.db2.gz IEQAWYCHGBSWSI-IQGLISFBSA-N 1 1 486.547 3.918 50 0 JHAAMO C[C@@H](C(=O)NCC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1)c1n[nH]c(=O)c2ccccc21 ZINC000216137203 569877838 /nfs/dbraw/zinc/87/78/38/569877838.db2.gz IEQAWYCHGBSWSI-IQGLISFBSA-N 1 1 486.547 3.918 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@@]12[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000227025183 570039754 /nfs/dbraw/zinc/03/97/54/570039754.db2.gz WHNFAJLKJUWXOF-QNFHRHJVSA-N 1 1 486.753 3.534 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@@]12[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000227025183 570039755 /nfs/dbraw/zinc/03/97/55/570039755.db2.gz WHNFAJLKJUWXOF-QNFHRHJVSA-N 1 1 486.753 3.534 50 0 JHAAMO CN(C[C@@H]1CCC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccccc1 ZINC000230059263 570044275 /nfs/dbraw/zinc/04/42/75/570044275.db2.gz UWGMUHJOKKMLKP-RXVVDRJESA-N 1 1 460.500 3.894 50 0 JHAAMO CN(C[C@@H]1CCC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccccc1 ZINC000230059263 570044276 /nfs/dbraw/zinc/04/42/76/570044276.db2.gz UWGMUHJOKKMLKP-RXVVDRJESA-N 1 1 460.500 3.894 50 0 JHAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000253403442 570096922 /nfs/dbraw/zinc/09/69/22/570096922.db2.gz HEAQAKCUWTVONM-VLUSQRCCSA-N 1 1 486.616 3.914 50 0 biogenic JHAAMO Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000263586359 570171824 /nfs/dbraw/zinc/17/18/24/570171824.db2.gz SXHHXXYJMRWQLL-AJSBUHFISA-N 1 1 468.642 3.995 50 0 biogenic JHAAMO COc1cccc(C(=O)NC[C@@H](C)Oc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)c1 ZINC000299759607 570174494 /nfs/dbraw/zinc/17/44/94/570174494.db2.gz PHHUVYGLOBPUOK-JOCHJYFZSA-N 1 1 474.605 3.605 50 0 JHAAMO CC[NH+](CC)CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000003316062 194278875 /nfs/dbraw/zinc/27/88/75/194278875.db2.gz TWVHSOLYHZPNSG-UHFFFAOYSA-N 1 1 453.992 3.611 50 0 JHAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(NCCc3ccc(S(N)(=O)=O)cc3)c2c1C ZINC000003379157 194309168 /nfs/dbraw/zinc/30/91/68/194309168.db2.gz KVQZKHCHJFDESU-UHFFFAOYSA-N 1 1 473.668 3.842 50 0 JHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000003670166 194357624 /nfs/dbraw/zinc/35/76/24/194357624.db2.gz MSWPKETUEDUQGV-IVZQSRNASA-N 1 1 463.365 3.791 50 0 JHAAMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1 ZINC000003820040 194361948 /nfs/dbraw/zinc/36/19/48/194361948.db2.gz GCIKSSRWRFVXBI-UHFFFAOYSA-N 1 1 464.599 3.503 50 0 investigational JHAAMO CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000009884367 195013170 /nfs/dbraw/zinc/01/31/70/195013170.db2.gz OXCIKLZMUPFVPO-FQEVSTJZSA-N 1 1 479.961 3.930 50 0 JHAAMO COc1ccc([C@H]([NH2+]CC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 ZINC000012771169 195117817 /nfs/dbraw/zinc/11/78/17/195117817.db2.gz IRGHQJJHKQQCRZ-ZEQKJWHPSA-N 1 1 464.587 3.595 50 0 JHAAMO COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C(C)C)c1 ZINC000012781650 195124825 /nfs/dbraw/zinc/12/48/25/195124825.db2.gz LHZJCRYMFZAYGD-FCHUYYIVSA-N 1 1 461.990 3.531 50 0 JHAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000012807328 195142254 /nfs/dbraw/zinc/14/22/54/195142254.db2.gz KCNNGZVIZIZCPJ-IBGZPJMESA-N 1 1 462.015 3.519 50 0 JHAAMO Cc1coc2c1cc1c(C)c(CC(=O)N3CC[NH+](CCc4ccccn4)CC3)c(=O)oc1c2C ZINC000020647977 195195345 /nfs/dbraw/zinc/19/53/45/195195345.db2.gz XMJNBZQTKRLWBN-UHFFFAOYSA-N 1 1 459.546 3.789 50 0 JHAAMO O=C(CNC(=O)c1ccc2noc(-c3ccccc3)c2c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020649561 195195580 /nfs/dbraw/zinc/19/55/80/195195580.db2.gz OTYZQDYLILGGJI-UHFFFAOYSA-N 1 1 454.530 3.569 50 0 JHAAMO Cc1oc2cc3oc(=O)c(CC(=O)N4CC[NH+](CCc5ccncc5)CC4)c(C)c3cc2c1C ZINC000020649492 195195587 /nfs/dbraw/zinc/19/55/87/195195587.db2.gz LNLLULVCYCPQMU-UHFFFAOYSA-N 1 1 459.546 3.789 50 0 JHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCCC1)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 ZINC000020639433 195192593 /nfs/dbraw/zinc/19/25/93/195192593.db2.gz XVPNUDJTISKBLV-UHFFFAOYSA-N 1 1 490.608 3.955 50 0 JHAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000020686975 195205194 /nfs/dbraw/zinc/20/51/94/195205194.db2.gz BFCUQLFYZKBJHE-HHJKRLRDSA-N 1 1 463.578 3.882 50 0 JHAAMO O=C(C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020729146 195209208 /nfs/dbraw/zinc/20/92/08/195209208.db2.gz VRZNHXZLKHDPHT-UHFFFAOYSA-N 1 1 490.069 3.769 50 0 JHAAMO Cc1cc2ccccc2n1-c1ccc(C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000020986221 195260847 /nfs/dbraw/zinc/26/08/47/195260847.db2.gz MCNZIPQMHXAOEB-UHFFFAOYSA-N 1 1 450.608 3.627 50 0 JHAAMO CN(c1ccccc1)c1ccc(C[N@@H+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1 ZINC000020992417 195262518 /nfs/dbraw/zinc/26/25/18/195262518.db2.gz NBZLZXKHZPHPCW-UHFFFAOYSA-N 1 1 480.616 3.963 50 0 JHAAMO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccccc2C(F)(F)F)CC3)cc1 ZINC000020995270 195263961 /nfs/dbraw/zinc/26/39/61/195263961.db2.gz ZWMHPJDOFUCHDO-UHFFFAOYSA-N 1 1 457.500 3.636 50 0 JHAAMO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccccc2C(F)(F)F)CC3)cc1 ZINC000020995270 195263964 /nfs/dbraw/zinc/26/39/64/195263964.db2.gz ZWMHPJDOFUCHDO-UHFFFAOYSA-N 1 1 457.500 3.636 50 0 JHAAMO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)cc3ccccc32)cc1 ZINC000021116304 195278779 /nfs/dbraw/zinc/27/87/79/195278779.db2.gz COIHHHMWFIAQTA-XMMPIXPASA-N 1 1 479.646 3.513 50 0 JHAAMO CCN1CC[NH+](CCCNC(=O)c2cc(-c3cccnc3)nc3ccc(Br)cc32)CC1 ZINC000021935010 195336343 /nfs/dbraw/zinc/33/63/43/195336343.db2.gz JRHUOYLHVIHJMA-UHFFFAOYSA-N 1 1 482.426 3.817 50 0 JHAAMO O=C(COCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)NCc1ccccn1 ZINC000058066708 195363932 /nfs/dbraw/zinc/36/39/32/195363932.db2.gz ZKYDSFGUOHVCJQ-HHHXNRCGSA-N 1 1 479.024 3.775 50 0 JHAAMO COc1ccc(-c2nc3ccccc3c(N(CCC[NH+]3CCOCC3)CCC(=O)NC(C)C)n2)cc1 ZINC000037384479 518143832 /nfs/dbraw/zinc/14/38/32/518143832.db2.gz PZWYQBOSBYJEKV-UHFFFAOYSA-N 1 1 491.636 3.749 50 0 JHAAMO CC(C)(C)NC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CC[NH+](C3CCCC3)CC2)c1=O ZINC000014990975 518752941 /nfs/dbraw/zinc/75/29/41/518752941.db2.gz YEXHODMMVRHCKN-UHFFFAOYSA-N 1 1 456.631 3.582 50 0 JHAAMO CC(C)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COCc1ccccc1 ZINC000036156530 519718709 /nfs/dbraw/zinc/71/87/09/519718709.db2.gz MNQGSHGBSQPALG-LJQANCHMSA-N 1 1 455.624 3.899 50 0 JHAAMO CC(C)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COCc1ccccc1 ZINC000036156530 519718710 /nfs/dbraw/zinc/71/87/10/519718710.db2.gz MNQGSHGBSQPALG-LJQANCHMSA-N 1 1 455.624 3.899 50 0 JHAAMO CC(C)OC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC1CC1 ZINC000036309650 519773908 /nfs/dbraw/zinc/77/39/08/519773908.db2.gz XPQDTYLTAXJNPG-QPPBQGQZSA-N 1 1 490.641 3.890 50 0 JHAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CCCCC1 ZINC000036156741 519880882 /nfs/dbraw/zinc/88/08/82/519880882.db2.gz OANDWMMBSRAWIB-KRWDZBQOSA-N 1 1 461.628 3.702 50 0 JHAAMO CCOC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036303828 520090377 /nfs/dbraw/zinc/09/03/77/520090377.db2.gz RDWGIRRVAWLWPB-QFIPXVFZSA-N 1 1 469.582 3.827 50 0 JHAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036303828 520090390 /nfs/dbraw/zinc/09/03/90/520090390.db2.gz RDWGIRRVAWLWPB-QFIPXVFZSA-N 1 1 469.582 3.827 50 0 JHAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@H](O)COCC(C)C ZINC000036309950 520317120 /nfs/dbraw/zinc/31/71/20/520317120.db2.gz ARFKNZJTKKSPEL-GMAHTHKFSA-N 1 1 474.667 3.917 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036309610 521537007 /nfs/dbraw/zinc/53/70/07/521537007.db2.gz NXBWNZQLVIBNQH-REWPJTCUSA-N 1 1 478.630 3.890 50 0 JHAAMO CCOc1ccccc1NC(=O)N1CC[NH+](CCn2c(-c3ccncc3)nc3cccnc32)CC1 ZINC000033139783 521539448 /nfs/dbraw/zinc/53/94/48/521539448.db2.gz FGNSINMLVXOHIU-UHFFFAOYSA-N 1 1 471.565 3.742 50 0 JHAAMO CCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022714577 521655511 /nfs/dbraw/zinc/65/55/11/521655511.db2.gz WTKZHRCFHFQREY-UHFFFAOYSA-N 1 1 455.562 3.507 50 0 JHAAMO COC(=O)c1c(OCCCc2cccnc2)cc(=O)n2c1CC[N@@H+](Cc1cc3ccccc3o1)CC2 ZINC000014880150 521774831 /nfs/dbraw/zinc/77/48/31/521774831.db2.gz VCWUWGRNYYSIHR-UHFFFAOYSA-N 1 1 487.556 3.846 50 0 JHAAMO COC(=O)c1c(OCCCc2cccnc2)cc(=O)n2c1CC[N@H+](Cc1cc3ccccc3[nH]1)CC2 ZINC000020454264 521775743 /nfs/dbraw/zinc/77/57/43/521775743.db2.gz YJLVKADSUWHEFT-UHFFFAOYSA-N 1 1 486.572 3.581 50 0 JHAAMO COC(=O)c1c(OCCCc2cccnc2)cc(=O)n2c1CC[N@@H+](Cc1cc3ccccc3[nH]1)CC2 ZINC000020454264 521775754 /nfs/dbraw/zinc/77/57/54/521775754.db2.gz YJLVKADSUWHEFT-UHFFFAOYSA-N 1 1 486.572 3.581 50 0 JHAAMO COC(=O)c1c(OCCc2ccccc2F)cc(=O)n2c1CC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000014882596 521776859 /nfs/dbraw/zinc/77/68/59/521776859.db2.gz RJQGNWIGGGWGAT-UHFFFAOYSA-N 1 1 468.500 3.593 50 0 JHAAMO COC(=O)c1c(OCCc2ccccc2F)cc(=O)n2c1CC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000014882596 521776871 /nfs/dbraw/zinc/77/68/71/521776871.db2.gz RJQGNWIGGGWGAT-UHFFFAOYSA-N 1 1 468.500 3.593 50 0 JHAAMO COC(=O)c1cc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc(NC(=O)/C=C/c2ccccc2Cl)c1 ZINC000014954770 521851015 /nfs/dbraw/zinc/85/10/15/521851015.db2.gz VHNKUJRBONPQOA-NELJVSICSA-N 1 1 469.969 3.879 50 0 JHAAMO CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000004762780 521956011 /nfs/dbraw/zinc/95/60/11/521956011.db2.gz INDJOAMIQUHIKA-SEEQCCGUSA-N 1 1 474.665 3.811 50 0 JHAAMO COC[C@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036309856 522786608 /nfs/dbraw/zinc/78/66/08/522786608.db2.gz MAMCSUYSOXGHHV-OFNKIYASSA-N 1 1 478.630 3.747 50 0 JHAAMO COc1ccc(-c2nc(S[C@H](CC(=O)NCCC[NH+]3CCOCC3)c3ccccc3)n[nH]2)cc1 ZINC000015441418 523180399 /nfs/dbraw/zinc/18/03/99/523180399.db2.gz RUVMDEUGFUJYOK-JOCHJYFZSA-N 1 1 481.622 3.542 50 0 JHAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1)C[C@H](O)COC ZINC000036246127 523264126 /nfs/dbraw/zinc/26/41/26/523264126.db2.gz ICXXKBPLVGQWJA-DEOSSOPVSA-N 1 1 465.594 3.750 50 0 JHAAMO CCn1c2ccccc2c2cc(C[N@@H+]3CCc4nnc([C@H](NS(C)(=O)=O)C(C)C)n4CC3)ccc21 ZINC000014881871 523275233 /nfs/dbraw/zinc/27/52/33/523275233.db2.gz AJIWWMKGYDJQAN-RUZDIDTESA-N 1 1 494.665 3.711 50 0 JHAAMO CCn1c2ccccc2nc(SCC(=O)NCCC[N@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)c1=O ZINC000033259847 523285616 /nfs/dbraw/zinc/28/56/16/523285616.db2.gz YMHXDSLIJXGCLH-NRFANRHFSA-N 1 1 493.677 3.534 50 0 JHAAMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000048311340 523299087 /nfs/dbraw/zinc/29/90/87/523299087.db2.gz OCDYQWUQAASOJS-UHFFFAOYSA-N 1 1 470.513 3.762 50 0 JHAAMO COc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000036102328 524014684 /nfs/dbraw/zinc/01/46/84/524014684.db2.gz AJVGICAOSCLQIU-OAQYLSRUSA-N 1 1 451.519 3.875 50 0 JHAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c(C)c1C ZINC000014881764 524039839 /nfs/dbraw/zinc/03/98/39/524039839.db2.gz URIUKDCLGFGAQS-QHCPKHFHSA-N 1 1 451.571 3.682 50 0 JHAAMO Cc1ccc(C[NH+]2CCN(C(=O)C34C[C@H]5C[C@@H](C3)CC(n3cnc(Br)n3)(C5)C4)CC2)cc1 ZINC000012447705 524456105 /nfs/dbraw/zinc/45/61/05/524456105.db2.gz XODWKPVNCFRBRT-JUJAOGAQSA-N 1 1 498.469 3.989 50 0 JHAAMO Cc1c(C(=O)NCC[N@H+](Cc2ccco2)C2CCCC2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033266110 525612120 /nfs/dbraw/zinc/61/21/20/525612120.db2.gz MECMJDWGZTWJFN-UHFFFAOYSA-N 1 1 482.654 3.519 50 0 JHAAMO 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COc1ccc(OCC[NH+]2CCN([C@H](C)C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)cc1 ZINC000022089248 555872955 /nfs/dbraw/zinc/87/29/55/555872955.db2.gz LNTAUYOHAKHLOK-JOCHJYFZSA-N 1 1 466.626 3.709 50 0 JHAAMO COc1ccc(OCC[NH+]2CCN([C@@H](C)C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)cc1 ZINC000022089243 555873002 /nfs/dbraw/zinc/87/30/02/555873002.db2.gz LNTAUYOHAKHLOK-QFIPXVFZSA-N 1 1 466.626 3.709 50 0 JHAAMO Cc1cc(=O)c(C(=O)NCC[C@@H]2CCC[N@@H+]2C)c(CCc2ccccc2)n1Cc1ccncc1 ZINC000012097361 555904778 /nfs/dbraw/zinc/90/47/78/555904778.db2.gz LUTZIFNFNPRNEH-DEOSSOPVSA-N 1 1 458.606 3.599 50 0 JHAAMO O=C(NCc1ccccc1)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000015468529 555910178 /nfs/dbraw/zinc/91/01/78/555910178.db2.gz WUHAWEJURQTYMT-HXUWFJFHSA-N 1 1 460.361 3.654 50 0 JHAAMO O=C(NCc1ccccc1)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(SC(F)F)cc3)C2=O)CC1 ZINC000015468597 555910192 /nfs/dbraw/zinc/91/01/92/555910192.db2.gz NNXASSFCEKIANI-HXUWFJFHSA-N 1 1 473.545 3.662 50 0 JHAAMO C[N@@H+](CCCNC(=O)c1cccn1-c1nnc(N2CCCCCC2)s1)Cc1ccccc1 ZINC000015671824 555929049 /nfs/dbraw/zinc/92/90/49/555929049.db2.gz NOLABJKZNSWYRG-UHFFFAOYSA-N 1 1 452.628 3.961 50 0 JHAAMO Cc1[nH+]ccn1CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 ZINC000012164420 555932269 /nfs/dbraw/zinc/93/22/69/555932269.db2.gz YUHBMVRHYFGODP-UHFFFAOYSA-N 1 1 453.550 3.630 50 0 JHAAMO COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccc(OC)cc2)CC3)o1 ZINC000012190172 555937049 /nfs/dbraw/zinc/93/70/49/555937049.db2.gz SDWJKRFMLLRKJX-QFIPXVFZSA-N 1 1 481.597 3.602 50 0 JHAAMO C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@H+](CC(c1ccccc1)c1ccccc1)CC2 ZINC000012209530 555942690 /nfs/dbraw/zinc/94/26/90/555942690.db2.gz VIJSBQORKMQLKX-OAQYLSRUSA-N 1 1 466.589 3.854 50 0 JHAAMO Cn1ccnc1C[N@H+](C)[C@@H]1CCc2c(sc3ncn(Cc4ccccc4Cl)c(=O)c23)C1 ZINC000012241572 555945237 /nfs/dbraw/zinc/94/52/37/555945237.db2.gz JGSNTBLNUJMZLN-MRXNPFEDSA-N 1 1 453.999 3.883 50 0 JHAAMO Cn1ccnc1C[N@@H+](C)[C@@H]1CCc2c(sc3ncn(Cc4ccccc4Cl)c(=O)c23)C1 ZINC000012241572 555945241 /nfs/dbraw/zinc/94/52/41/555945241.db2.gz JGSNTBLNUJMZLN-MRXNPFEDSA-N 1 1 453.999 3.883 50 0 JHAAMO CCC(CC)[C@H](CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)[NH+]1CCOCC1 ZINC000022755885 555954164 /nfs/dbraw/zinc/95/41/64/555954164.db2.gz OSBICXUDKSKBEK-ZEQRLZLVSA-N 1 1 496.677 3.824 50 0 JHAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)N4CCCc5ccccc54)C3)n2)cc1OC ZINC000015726058 555963001 /nfs/dbraw/zinc/96/30/01/555963001.db2.gz VFPSEWLSNNFQFS-FQEVSTJZSA-N 1 1 462.550 3.945 50 0 JHAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)N4CCCc5ccccc54)C3)n2)cc1OC ZINC000015726058 555963003 /nfs/dbraw/zinc/96/30/03/555963003.db2.gz VFPSEWLSNNFQFS-FQEVSTJZSA-N 1 1 462.550 3.945 50 0 JHAAMO C[NH+]1CCN([C@H](CNC(=O)COc2ccc(OCc3ccccc3)cc2)c2cccs2)CC1 ZINC000022931542 555984495 /nfs/dbraw/zinc/98/44/95/555984495.db2.gz ZGQPRIKOBQKCEZ-XMMPIXPASA-N 1 1 465.619 3.811 50 0 JHAAMO COc1ccc(OCC[NH+]2CCN(CCC(=O)Nc3ccc(Br)cc3F)CC2)cc1 ZINC000022934208 555986598 /nfs/dbraw/zinc/98/65/98/555986598.db2.gz DYVWKWILFICKIW-UHFFFAOYSA-N 1 1 480.378 3.622 50 0 JHAAMO Cc1cc(C)c(NC(=O)CNC(=O)CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c(C)c1 ZINC000022933865 555986718 /nfs/dbraw/zinc/98/67/18/555986718.db2.gz ZOFZKDZXZDNVRB-UHFFFAOYSA-N 1 1 476.543 3.503 50 0 JHAAMO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)N2CC[NH+](C)CC2)o1 ZINC000022938493 555991866 /nfs/dbraw/zinc/99/18/66/555991866.db2.gz KTHQTMRDEIBWPN-LJQANCHMSA-N 1 1 473.371 3.724 50 0 JHAAMO Cn1c(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000015787018 556006504 /nfs/dbraw/zinc/00/65/04/556006504.db2.gz QFSKZNSIAGQTNQ-UHFFFAOYSA-N 1 1 494.661 3.531 50 0 JHAAMO COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)CC3)[nH]c2c1 ZINC000015868687 556045976 /nfs/dbraw/zinc/04/59/76/556045976.db2.gz LOJMUAFEQYXWTO-UXHICEINSA-N 1 1 468.642 3.903 50 0 JHAAMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1 ZINC000015880199 556052250 /nfs/dbraw/zinc/05/22/50/556052250.db2.gz YTJGQXIKNCJOFO-UHFFFAOYSA-N 1 1 464.657 3.973 50 0 JHAAMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1 ZINC000015880199 556052252 /nfs/dbraw/zinc/05/22/52/556052252.db2.gz YTJGQXIKNCJOFO-UHFFFAOYSA-N 1 1 464.657 3.973 50 0 JHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C[S@@](=O)Cc1nc(-c2ccc(OC)c(OC)c2)oc1C ZINC000015944320 556080466 /nfs/dbraw/zinc/08/04/66/556080466.db2.gz VBJFEHIABHLBAK-GEMQDWRSSA-N 1 1 491.654 3.687 50 0 JHAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NCc2ccccc2)cc(OC)c1OC ZINC000015953719 556087539 /nfs/dbraw/zinc/08/75/39/556087539.db2.gz SGGYYSCWAPCMGF-IDNYDCHQSA-N 1 1 468.594 3.697 50 0 biogenic JHAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NCc2ccccc2)cc(OC)c1OC ZINC000015953719 556087542 /nfs/dbraw/zinc/08/75/42/556087542.db2.gz SGGYYSCWAPCMGF-IDNYDCHQSA-N 1 1 468.594 3.697 50 0 biogenic JHAAMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015990029 556102340 /nfs/dbraw/zinc/10/23/40/556102340.db2.gz OOGVVLACMFNPTO-CMCWBKRRSA-N 1 1 470.356 3.839 50 0 JHAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)cc3Br)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015996667 556103283 /nfs/dbraw/zinc/10/32/83/556103283.db2.gz SQMDTXRIWXMHHW-PDFGSZSQSA-N 1 1 494.389 3.603 50 0 JHAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000772 556105342 /nfs/dbraw/zinc/10/53/42/556105342.db2.gz NZYCMCCCVXKSJG-WYNJNVBPSA-N 1 1 451.526 3.888 50 0 JHAAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)nc1 ZINC000023956662 556105490 /nfs/dbraw/zinc/10/54/90/556105490.db2.gz VAJDWGPWVXAKJB-UHFFFAOYSA-N 1 1 478.618 3.554 50 0 JHAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCC2)CC1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000012915722 556134977 /nfs/dbraw/zinc/13/49/77/556134977.db2.gz SYNBBSGNHUXCBF-UHFFFAOYSA-N 1 1 486.016 3.606 50 0 JHAAMO Cc1cc(O)c([C@@H](c2ccccc2)[NH+]2CCN(c3ccccn3)CC2)c(=O)n1Cc1ccccn1 ZINC000016993761 556197910 /nfs/dbraw/zinc/19/79/10/556197910.db2.gz LYVKPHJVJMIMER-HHHXNRCGSA-N 1 1 467.573 3.612 50 0 JHAAMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025664502 556228725 /nfs/dbraw/zinc/22/87/25/556228725.db2.gz ZYAVOTGJDSQYSZ-FQEVSTJZSA-N 1 1 480.996 3.783 50 0 JHAAMO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000018019260 556277223 /nfs/dbraw/zinc/27/72/23/556277223.db2.gz SCOUUMZUEFCBNJ-QFIPXVFZSA-N 1 1 466.607 3.735 50 0 JHAAMO COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2cccc(C)c2)CC3)o1 ZINC000019334154 556342855 /nfs/dbraw/zinc/34/28/55/556342855.db2.gz QQBWSBYWDWGXGE-QFIPXVFZSA-N 1 1 465.598 3.901 50 0 JHAAMO Cc1ccc(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000019809799 556380604 /nfs/dbraw/zinc/38/06/04/556380604.db2.gz WPMMECULGBIXRU-UHFFFAOYSA-N 1 1 477.630 3.695 50 0 JHAAMO C[N@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccc(Cl)cc1Cl ZINC000031053475 556391350 /nfs/dbraw/zinc/39/13/50/556391350.db2.gz DKIAVSPDJDYPGH-UHFFFAOYSA-N 1 1 459.395 3.525 50 0 JHAAMO C[N@@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccc(Cl)cc1Cl ZINC000031053475 556391353 /nfs/dbraw/zinc/39/13/53/556391353.db2.gz DKIAVSPDJDYPGH-UHFFFAOYSA-N 1 1 459.395 3.525 50 0 JHAAMO CC[NH+]1CCN(c2ccccc2NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)CC1 ZINC000032740690 556480192 /nfs/dbraw/zinc/48/01/92/556480192.db2.gz XPUGJZRWMSANPR-UHFFFAOYSA-N 1 1 451.958 3.589 50 0 JHAAMO CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000032842532 556508661 /nfs/dbraw/zinc/50/86/61/556508661.db2.gz JQQWSIYSHKHGIK-XMMPIXPASA-N 1 1 460.603 3.774 50 0 JHAAMO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)O[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000032907122 556531545 /nfs/dbraw/zinc/53/15/45/556531545.db2.gz LPQAWLRHFMDXJR-SFHVURJKSA-N 1 1 471.623 3.931 50 0 JHAAMO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000032915601 556539440 /nfs/dbraw/zinc/53/94/40/556539440.db2.gz NUTZIUVWIKWUMC-UHFFFAOYSA-N 1 1 456.594 3.818 50 0 JHAAMO COCCn1c(C)cc(O)c([C@H](c2ccccc2F)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000008611790 562947762 /nfs/dbraw/zinc/94/77/62/562947762.db2.gz ABRJCFLYQFDVGE-VWLOTQADSA-N 1 1 451.542 3.559 50 0 aggregator JHAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1nccs1)CC[N@H+](Cc1cc3ccccc3s1)CC2 ZINC000023128980 563019944 /nfs/dbraw/zinc/01/99/44/563019944.db2.gz ZQCCDTFXPYYATC-UHFFFAOYSA-N 1 1 494.642 3.859 50 0 JHAAMO CCn1c(C[NH2+]C(c2ccccc2)c2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000057290217 569595865 /nfs/dbraw/zinc/59/58/65/569595865.db2.gz VDGORZJEVRFLBR-UHFFFAOYSA-N 1 1 490.629 3.956 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(Cn2c(=O)c3cccn3c3cccnc32)c1 ZINC000033018540 569618406 /nfs/dbraw/zinc/61/84/06/569618406.db2.gz GAWDTUZMRBCPRU-HXUWFJFHSA-N 1 1 457.578 3.692 50 0 JHAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)c(C)c1C ZINC000064802173 569631778 /nfs/dbraw/zinc/63/17/78/569631778.db2.gz DWEBRGNQOSWXCF-UHFFFAOYSA-N 1 1 483.594 3.791 50 0 JHAAMO CCn1c2c(C(=O)Nc3cc(F)ccc3C)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835919 569636598 /nfs/dbraw/zinc/63/65/98/569636598.db2.gz ZEWYRUCHDNVHMK-UHFFFAOYSA-N 1 1 459.525 3.774 50 0 JHAAMO CSc1cccc(NC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@H+](Cc3ccccc3)CC2)c1 ZINC000064836111 569636650 /nfs/dbraw/zinc/63/66/50/569636650.db2.gz FYBHDPGTARPWAD-UHFFFAOYSA-N 1 1 459.575 3.566 50 0 JHAAMO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](C[C@H](O)c4ccccc4)CC3)n2)cc1Cl ZINC000034677552 569641884 /nfs/dbraw/zinc/64/18/84/569641884.db2.gz MHLRYMFQJWTWSB-QFIPXVFZSA-N 1 1 454.958 3.740 50 0 JHAAMO O=C(COc1ccccc1)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034787265 569659669 /nfs/dbraw/zinc/65/96/69/569659669.db2.gz QNQJDOGTBJCBRK-MUUNZHRXSA-N 1 1 489.641 3.836 50 0 JHAAMO O=C(COc1ccccc1)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034787265 569659671 /nfs/dbraw/zinc/65/96/71/569659671.db2.gz QNQJDOGTBJCBRK-MUUNZHRXSA-N 1 1 489.641 3.836 50 0 JHAAMO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000034788773 569660231 /nfs/dbraw/zinc/66/02/31/569660231.db2.gz ZHRUBMDVDMQHTC-RUZDIDTESA-N 1 1 466.651 3.882 50 0 JHAAMO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000034788773 569660232 /nfs/dbraw/zinc/66/02/32/569660232.db2.gz ZHRUBMDVDMQHTC-RUZDIDTESA-N 1 1 466.651 3.882 50 0 JHAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccco2)[C@H](C)C1 ZINC000034829812 569663411 /nfs/dbraw/zinc/66/34/11/569663411.db2.gz JKLTZGFDYXEDGE-KBMIEXCESA-N 1 1 463.603 3.970 50 0 JHAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccco2)[C@H](C)C1 ZINC000034829812 569663412 /nfs/dbraw/zinc/66/34/12/569663412.db2.gz JKLTZGFDYXEDGE-KBMIEXCESA-N 1 1 463.603 3.970 50 0 JHAAMO CCCCNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 ZINC000034919947 569672155 /nfs/dbraw/zinc/67/21/55/569672155.db2.gz OWIAGUVIWBZRFG-FQEVSTJZSA-N 1 1 487.670 3.790 50 0 JHAAMO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc2ccccc21 ZINC000065314986 569672612 /nfs/dbraw/zinc/67/26/12/569672612.db2.gz IRMNTTCFBGYFHQ-XMMPIXPASA-N 1 1 479.646 3.513 50 0 JHAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000034927802 569673214 /nfs/dbraw/zinc/67/32/14/569673214.db2.gz JRUBFUQPXWCDQC-IZLXSDGUSA-N 1 1 483.612 3.958 50 0 JHAAMO COc1cc(NC(=O)N2CCC(CC(=O)NCCC[N@H+]3CCCC[C@H]3C)CC2)cc(OC)c1OC ZINC000035399181 569689688 /nfs/dbraw/zinc/68/96/88/569689688.db2.gz URTDKCPUVOKOFG-LJQANCHMSA-N 1 1 490.645 3.727 50 0 JHAAMO C[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000035416495 569692081 /nfs/dbraw/zinc/69/20/81/569692081.db2.gz ZOXYXDPPZKSVCW-KXBFYZLASA-N 1 1 498.443 3.638 50 0 JHAAMO CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCC[N@@H+](C)C3CCCCC3)n2C)c1 ZINC000035561093 569704344 /nfs/dbraw/zinc/70/43/44/569704344.db2.gz HKEUSAPLEBEKHM-UHFFFAOYSA-N 1 1 462.660 3.593 50 0 JHAAMO O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000084536002 569709460 /nfs/dbraw/zinc/70/94/60/569709460.db2.gz OOUGEVGPMSIISH-ILBGXUMGSA-N 1 1 451.586 3.778 50 0 JHAAMO CC(C)CC(=O)N(CCC[NH+]1CCOCC1)CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000035767417 569709969 /nfs/dbraw/zinc/70/99/69/569709969.db2.gz IBZRBMXXLLVRGM-UHFFFAOYSA-N 1 1 473.589 3.545 50 0 JHAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035851790 569716661 /nfs/dbraw/zinc/71/66/61/569716661.db2.gz VJQHKCKUOBNWGP-MTXNFPGFSA-N 1 1 469.463 3.699 50 0 JHAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)c4ccc5c(c4)OCO5)c2)N3)C1 ZINC000096602010 569742481 /nfs/dbraw/zinc/74/24/81/569742481.db2.gz WWZMSQCYTOEGPO-OAQYLSRUSA-N 1 1 463.515 3.538 50 0 JHAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)c4ccc5c(c4)OCO5)c2)N3)C1 ZINC000096602010 569742482 /nfs/dbraw/zinc/74/24/82/569742482.db2.gz WWZMSQCYTOEGPO-OAQYLSRUSA-N 1 1 463.515 3.538 50 0 JHAAMO 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O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000019953020 555569385 /nfs/dbraw/zinc/56/93/85/555569385.db2.gz PESUIVSGPZRIGU-UHFFFAOYSA-N 1 1 495.602 3.948 50 0 JHAAMO Cc1ccccc1N1C(=O)[C@H]2[C@@H](C(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000013689433 555582849 /nfs/dbraw/zinc/58/28/49/555582849.db2.gz ZYDJWCHSNJXKHT-SFOWLQBLSA-N 1 1 490.563 3.685 50 0 JHAAMO CC(C)[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]12 ZINC000013719827 555595519 /nfs/dbraw/zinc/59/55/19/555595519.db2.gz VNOWCQLTELBJEK-RWJVBYDYSA-N 1 1 494.526 3.515 50 0 JHAAMO Cc1coc2cc3oc(=O)c(CCC(=O)N4CC[NH+](CCc5ccncc5)CC4)c(C)c3cc12 ZINC000013723566 555599100 /nfs/dbraw/zinc/59/91/00/555599100.db2.gz QDKMZJJTMXNWNW-UHFFFAOYSA-N 1 1 459.546 3.871 50 0 JHAAMO O=C1CS[C@]2(c3ccccc3N(CN3CC[NH+](Cc4ccccc4)CC3)C2=O)N1c1ccccc1 ZINC000020038502 555612488 /nfs/dbraw/zinc/61/24/88/555612488.db2.gz WDSQCSGKOIUFLG-NDEPHWFRSA-N 1 1 484.625 3.741 50 0 JHAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020064395 555624459 /nfs/dbraw/zinc/62/44/59/555624459.db2.gz GGLGGDYUZMVJOR-MRXNPFEDSA-N 1 1 454.958 3.753 50 0 JHAAMO COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@H]2C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000020152545 555670182 /nfs/dbraw/zinc/67/01/82/555670182.db2.gz RFSLFXTYEZZUIR-UNVFRBQDSA-N 1 1 479.621 3.885 50 0 JHAAMO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020229887 555720256 /nfs/dbraw/zinc/72/02/56/555720256.db2.gz YBRWVLVVDXVCQY-SFHVURJKSA-N 1 1 494.592 3.507 50 0 JHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000014242368 555744015 /nfs/dbraw/zinc/74/40/15/555744015.db2.gz SRYMHCJAWCPVPZ-NRFANRHFSA-N 1 1 495.567 3.511 50 0 JHAAMO CCn1c(C(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc2sccc21 ZINC000020383029 555787406 /nfs/dbraw/zinc/78/74/06/555787406.db2.gz MVVDTRJIJDAZHN-UHFFFAOYSA-N 1 1 464.635 3.919 50 0 JHAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3nn(C)c4c3COc3ccccc3-4)C[C@H]2C)c1 ZINC000020484934 555791679 /nfs/dbraw/zinc/79/16/79/555791679.db2.gz QJSDDALYMOLYOT-HXUWFJFHSA-N 1 1 459.594 3.619 50 0 JHAAMO CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)ccc21 ZINC000014333968 555795014 /nfs/dbraw/zinc/79/50/14/555795014.db2.gz BVIWZKHWNYMUSK-WOJBJXKFSA-N 1 1 462.594 3.712 50 0 JHAAMO COC(=O)CC[C@H]1C[N@H+](Cc2ccc(OC)cc2OC)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000011782804 555813724 /nfs/dbraw/zinc/81/37/24/555813724.db2.gz KFUSFCUYLRLSLJ-SQJMNOBHSA-N 1 1 499.627 3.809 50 0 JHAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(OC)cc2OC)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000011782804 555813727 /nfs/dbraw/zinc/81/37/27/555813727.db2.gz KFUSFCUYLRLSLJ-SQJMNOBHSA-N 1 1 499.627 3.809 50 0 JHAAMO COc1ccc(CNC(=O)c2nn(Cc3ccccn3)c3c2C[N@H+](Cc2ccc(O)cc2)CC3)cc1 ZINC000014538497 555828026 /nfs/dbraw/zinc/82/80/26/555828026.db2.gz LPSAXYLYDDRUPW-UHFFFAOYSA-N 1 1 483.572 3.529 50 0 JHAAMO COc1ccc(CNC(=O)c2nn(Cc3ccccn3)c3c2C[N@@H+](Cc2ccc(O)cc2)CC3)cc1 ZINC000014538497 555828027 /nfs/dbraw/zinc/82/80/27/555828027.db2.gz LPSAXYLYDDRUPW-UHFFFAOYSA-N 1 1 483.572 3.529 50 0 JHAAMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(NCc3ccc(F)cc3)cc(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000014541254 555831740 /nfs/dbraw/zinc/83/17/40/555831740.db2.gz LTVVHDIYUZRSON-LJQANCHMSA-N 1 1 490.645 3.586 50 0 JHAAMO COc1cc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)ccc1O ZINC000011874504 555847902 /nfs/dbraw/zinc/84/79/02/555847902.db2.gz PTQDKTPHNVAYPX-QHCPKHFHSA-N 1 1 451.611 3.737 50 0 JHAAMO COCc1c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cnn1-c1ncc(C)c(-c2cccs2)n1 ZINC000015068652 555868715 /nfs/dbraw/zinc/86/87/15/555868715.db2.gz RAVWJNCMALNRLF-AZUAARDMSA-N 1 1 480.638 3.840 50 0 JHAAMO O=C(c1ccc(Br)cc1)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000015229015 555888380 /nfs/dbraw/zinc/88/83/80/555888380.db2.gz LNAKPWZCKAPISA-UHFFFAOYSA-N 1 1 470.411 3.646 50 0 JHAAMO O[C@H](COc1ccc2ccccc2c1)CN1CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000022289092 555917949 /nfs/dbraw/zinc/91/79/49/555917949.db2.gz VPQSSVNMVITGTF-SVBPBHIXSA-N 1 1 486.612 3.790 50 0 JHAAMO O[C@H](COc1cccc2ccccc21)CN1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000022289092 555917952 /nfs/dbraw/zinc/91/79/52/555917952.db2.gz VPQSSVNMVITGTF-SVBPBHIXSA-N 1 1 486.612 3.790 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000015681239 555950353 /nfs/dbraw/zinc/95/03/53/555950353.db2.gz ILKKCUBPMAUNBB-JOCHJYFZSA-N 1 1 488.636 3.506 50 0 JHAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)NCCc4cccc(C)c4)C3)n2)cc1OC ZINC000015726149 555963391 /nfs/dbraw/zinc/96/33/91/555963391.db2.gz DEKRAYTZYOMCFC-OAQYLSRUSA-N 1 1 464.566 3.633 50 0 JHAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)NCCc4cccc(C)c4)C3)n2)cc1OC ZINC000015726149 555963393 /nfs/dbraw/zinc/96/33/93/555963393.db2.gz DEKRAYTZYOMCFC-OAQYLSRUSA-N 1 1 464.566 3.633 50 0 JHAAMO COc1cc(NC(=O)C2CC[NH+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)cc(OC)c1 ZINC000015726505 555965227 /nfs/dbraw/zinc/96/52/27/555965227.db2.gz SMSLQCZBIGNADI-UHFFFAOYSA-N 1 1 482.537 3.622 50 0 JHAAMO CC(C)(C)c1cc(NC(=O)CN2CC[NH+](CCOc3ccccc3)CC2)n(-c2ccccc2)n1 ZINC000022919414 555973311 /nfs/dbraw/zinc/97/33/11/555973311.db2.gz MDZCZQHDAGHRIF-UHFFFAOYSA-N 1 1 461.610 3.805 50 0 JHAAMO Cc1cccc(C[NH+]2CCN([C@@H](C)C(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000022920511 555974551 /nfs/dbraw/zinc/97/45/51/555974551.db2.gz QDZJQEXRQQDILU-IBGZPJMESA-N 1 1 476.543 3.617 50 0 JHAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1)Nc1c(Cl)cccc1Cl ZINC000022931929 555984863 /nfs/dbraw/zinc/98/48/63/555984863.db2.gz LYUVPOVHBVZVPA-UHFFFAOYSA-N 1 1 453.345 3.717 50 0 JHAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccco3)C2)cc1 ZINC000022932779 555985606 /nfs/dbraw/zinc/98/56/06/555985606.db2.gz PMZNRDZOMXDGOS-VWLOTQADSA-N 1 1 458.562 3.784 50 0 JHAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3ccccc3NC(=O)C3=CSCCO3)C[C@H]2C)c1 ZINC000015774216 555992908 /nfs/dbraw/zinc/99/29/08/555992908.db2.gz RVHXWJQVIHVMSG-OAQYLSRUSA-N 1 1 494.661 3.869 50 0 JHAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(N3CCCCC3)n2Cc2ccco2)CC1 ZINC000023133578 556020099 /nfs/dbraw/zinc/02/00/99/556020099.db2.gz KMUJVBYPXGBXPJ-NRFANRHFSA-N 1 1 494.665 3.907 50 0 JHAAMO COc1ccccc1-c1nn(CN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c(=S)n1C ZINC000023256861 556035649 /nfs/dbraw/zinc/03/56/49/556035649.db2.gz LQFBRWHYYDAJSJ-UHFFFAOYSA-N 1 1 474.030 3.934 50 0 JHAAMO COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCC[N@H+]4CCCC[C@@H]4C)CC3)[nH]c2c1 ZINC000015868681 556046048 /nfs/dbraw/zinc/04/60/48/556046048.db2.gz USLQPSIGYYSCTM-OALUTQOASA-N 1 1 454.615 3.655 50 0 JHAAMO CCCN1CCC([NH2+][C@@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3ccccc3)C2)CC1 ZINC000023362779 556049457 /nfs/dbraw/zinc/04/94/57/556049457.db2.gz YOKOASOKUNBWTO-VPUSJEBWSA-N 1 1 466.645 3.592 50 0 JHAAMO CCC[NH+]1CCC(N[C@@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3ccccc3)C2)CC1 ZINC000023362779 556049459 /nfs/dbraw/zinc/04/94/59/556049459.db2.gz YOKOASOKUNBWTO-VPUSJEBWSA-N 1 1 466.645 3.592 50 0 JHAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015989977 556102315 /nfs/dbraw/zinc/10/23/15/556102315.db2.gz BWYQYIZSZDPTBN-QYUDBREXSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001255 556106393 /nfs/dbraw/zinc/10/63/93/556106393.db2.gz JJHRXZGFKLPUEV-UAKAABGRSA-N 1 1 453.901 3.527 50 0 JHAAMO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(C)cc3Br)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016012421 556111410 /nfs/dbraw/zinc/11/14/10/556111410.db2.gz PICXHGZDBRWSQO-PBQROFAYSA-N 1 1 494.389 3.751 50 0 JHAAMO CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000024528750 556134963 /nfs/dbraw/zinc/13/49/63/556134963.db2.gz NDOGKVJQVFREKT-RTBURBONSA-N 1 1 489.638 3.504 50 0 JHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000012923608 556142218 /nfs/dbraw/zinc/14/22/18/556142218.db2.gz CBRWLSVOTQQPRU-AWEZNQCLSA-N 1 1 461.307 3.503 50 0 JHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000012923608 556142220 /nfs/dbraw/zinc/14/22/20/556142220.db2.gz CBRWLSVOTQQPRU-AWEZNQCLSA-N 1 1 461.307 3.503 50 0 JHAAMO CC1CC[NH+]([C@H](CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)c2cccs2)CC1 ZINC000012936970 556151816 /nfs/dbraw/zinc/15/18/16/556151816.db2.gz QDAWAAJVZNHXMI-GOSISDBHSA-N 1 1 489.585 3.792 50 0 JHAAMO O=C(NCCC[NH+]1CCOCC1)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000025148472 556187477 /nfs/dbraw/zinc/18/74/77/556187477.db2.gz IUKSGOQJAAYIIO-UHFFFAOYSA-N 1 1 461.591 3.660 50 0 JHAAMO COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000012999272 556191911 /nfs/dbraw/zinc/19/19/11/556191911.db2.gz CBAJNVGZQJWYLR-DEOSSOPVSA-N 1 1 466.557 3.774 50 0 JHAAMO C[N@@H+]1CCN(C(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)[C@H](c2ccccc2)C1 ZINC000013006143 556198175 /nfs/dbraw/zinc/19/81/75/556198175.db2.gz CJLRTGZBSCLYRL-BEWKRWDNSA-N 1 1 467.635 3.780 50 0 JHAAMO C[N@H+]1CCN(C(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)[C@H](c2ccccc2)C1 ZINC000013006143 556198181 /nfs/dbraw/zinc/19/81/81/556198181.db2.gz CJLRTGZBSCLYRL-BEWKRWDNSA-N 1 1 467.635 3.780 50 0 JHAAMO CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000013010762 556203252 /nfs/dbraw/zinc/20/32/52/556203252.db2.gz JWVZYKZPFRKHNM-OAQYLSRUSA-N 1 1 475.998 3.786 50 0 JHAAMO Cc1cc(=O)c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)nn1-c1ccccc1C(F)(F)F ZINC000013015348 556206755 /nfs/dbraw/zinc/20/67/55/556206755.db2.gz PVCZZUZLMQGGSQ-IBGZPJMESA-N 1 1 462.447 3.732 50 0 JHAAMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)O[C@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025664495 556228756 /nfs/dbraw/zinc/22/87/56/556228756.db2.gz ZYAVOTGJDSQYSZ-HXUWFJFHSA-N 1 1 480.996 3.783 50 0 JHAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(NCc3ccc(S(N)(=O)=O)cc3)n2)CCC4)CC1 ZINC000013039470 556240484 /nfs/dbraw/zinc/24/04/84/556240484.db2.gz CHTBDHWCUYMTTI-UHFFFAOYSA-N 1 1 471.652 3.671 50 0 JHAAMO COc1cc(CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C2CC2)ccc1OC(F)F ZINC000026250660 556251145 /nfs/dbraw/zinc/25/11/45/556251145.db2.gz PIAQHMLBXZFAFA-UHFFFAOYSA-N 1 1 459.537 3.605 50 0 JHAAMO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000027208610 556275144 /nfs/dbraw/zinc/27/51/44/556275144.db2.gz STHYBDSFWBUXDF-OAQYLSRUSA-N 1 1 456.974 3.564 50 0 JHAAMO CCOC(=O)C1=C(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)NC(=O)N[C@@H]1c1ccco1 ZINC000027574796 556299617 /nfs/dbraw/zinc/29/96/17/556299617.db2.gz JDOFRSBBXPCSLB-HSZRJFAPSA-N 1 1 467.522 3.624 50 0 JHAAMO O=C(c1ccc(=O)[nH]n1)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000029800301 556357920 /nfs/dbraw/zinc/35/79/20/556357920.db2.gz JCCCKTDQNHJWOB-UHFFFAOYSA-N 1 1 459.369 3.631 50 0 JHAAMO Cc1cc(=O)c(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)nn1-c1cccc(C(F)(F)F)c1 ZINC000032744814 556482455 /nfs/dbraw/zinc/48/24/55/556482455.db2.gz NCOKVNCLPJYEQA-UHFFFAOYSA-N 1 1 471.483 3.564 50 0 JHAAMO Cc1ccc(-c2noc(CN3CC[NH+](C[C@H](O)CO[C@@H](C)c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000032894941 556525107 /nfs/dbraw/zinc/52/51/07/556525107.db2.gz VRIFGXNCMPEJCT-CVDCTZTESA-N 1 1 471.001 3.955 50 0 JHAAMO CCCCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)C[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000008670647 562949192 /nfs/dbraw/zinc/94/91/92/562949192.db2.gz FCLYWPVTPIFLNH-IBGZPJMESA-N 1 1 484.593 3.916 50 0 JHAAMO CCCCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)C[N@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000008670647 562949193 /nfs/dbraw/zinc/94/91/93/562949193.db2.gz FCLYWPVTPIFLNH-IBGZPJMESA-N 1 1 484.593 3.916 50 0 JHAAMO COc1ccccc1[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)[NH+](C)C ZINC000032983083 563110054 /nfs/dbraw/zinc/11/00/54/563110054.db2.gz MWVPFJYFJVCZGV-RUZDIDTESA-N 1 1 493.629 3.869 50 0 JHAAMO COc1ccccc1C[NH+]1CCN(c2cccc3c2C(=O)N([C@@H](C)c2nccs2)C3=O)CC1 ZINC000055342782 569591596 /nfs/dbraw/zinc/59/15/96/569591596.db2.gz FVUXIRPLABNOHV-KRWDZBQOSA-N 1 1 462.575 3.831 50 0 JHAAMO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](CCC)CC3)cc1 ZINC000056928522 569592465 /nfs/dbraw/zinc/59/24/65/569592465.db2.gz LKOKBNGSEQQBMO-UHFFFAOYSA-N 1 1 450.630 3.584 50 0 JHAAMO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](CCC)CC3)cc1 ZINC000056928522 569592466 /nfs/dbraw/zinc/59/24/66/569592466.db2.gz LKOKBNGSEQQBMO-UHFFFAOYSA-N 1 1 450.630 3.584 50 0 JHAAMO CCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000064438580 569616630 /nfs/dbraw/zinc/61/66/30/569616630.db2.gz XVBWGFAGFZCKAN-UHFFFAOYSA-N 1 1 462.550 3.864 50 0 JHAAMO Cc1ccc(C(=O)N2CCC[N@H+](C[C@H]3CN(C(=O)Nc4cccc(Cl)c4)CCO3)CC2)cc1 ZINC000034692132 569646369 /nfs/dbraw/zinc/64/63/69/569646369.db2.gz BJZKVQRNDDBXSW-QHCPKHFHSA-N 1 1 471.001 3.729 50 0 JHAAMO Cc1ccc(C(=O)N2CCC[N@@H+](C[C@H]3CN(C(=O)Nc4cccc(Cl)c4)CCO3)CC2)cc1 ZINC000034692132 569646370 /nfs/dbraw/zinc/64/63/70/569646370.db2.gz BJZKVQRNDDBXSW-QHCPKHFHSA-N 1 1 471.001 3.729 50 0 JHAAMO O=C(Nc1ccccc1)N1CCO[C@@H](C[N@@H+]2CCCN(C(=O)c3cccc4ccccc43)CC2)C1 ZINC000034692192 569646522 /nfs/dbraw/zinc/64/65/22/569646522.db2.gz HLYTWJLKAKJIPE-DEOSSOPVSA-N 1 1 472.589 3.921 50 0 JHAAMO O=C(Nc1ccccc1)N1CCO[C@@H](C[N@H+]2CCCN(C(=O)c3cccc4ccccc43)CC2)C1 ZINC000034692192 569646523 /nfs/dbraw/zinc/64/65/23/569646523.db2.gz HLYTWJLKAKJIPE-DEOSSOPVSA-N 1 1 472.589 3.921 50 0 JHAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)c2cccc(-n3nnc4cccnc43)c2C)CC1 ZINC000064925842 569646539 /nfs/dbraw/zinc/64/65/39/569646539.db2.gz CEWQKIRZHYFJSD-UHFFFAOYSA-N 1 1 490.011 3.638 50 0 JHAAMO c1coc(-c2nnc3c4ccccc4nc(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)n23)c1 ZINC000034707970 569650083 /nfs/dbraw/zinc/65/00/83/569650083.db2.gz QMNSEORGVHPUMA-UHFFFAOYSA-N 1 1 454.490 3.588 50 0 JHAAMO CC(C)c1ccc(NC(=O)N2CCc3nc(N4CCCC4)nc(N4CC[NH+](C)CC4)c3C2)cc1 ZINC000034756625 569656599 /nfs/dbraw/zinc/65/65/99/569656599.db2.gz ZBAXTECSYQVCJU-UHFFFAOYSA-N 1 1 463.630 3.542 50 0 JHAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N1CCN(c2ccccc2OC)CC1 ZINC000034925621 569673011 /nfs/dbraw/zinc/67/30/11/569673011.db2.gz OIJYVUARTLZTEQ-ZEQRLZLVSA-N 1 1 451.611 3.661 50 0 JHAAMO COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH+]1CCN(c2ccccc2OC)CC1 ZINC000034925621 569673013 /nfs/dbraw/zinc/67/30/13/569673013.db2.gz OIJYVUARTLZTEQ-ZEQRLZLVSA-N 1 1 451.611 3.661 50 0 JHAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000034927804 569673137 /nfs/dbraw/zinc/67/31/37/569673137.db2.gz JRUBFUQPXWCDQC-NSOVKSMOSA-N 1 1 483.612 3.958 50 0 JHAAMO COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000065623952 569676439 /nfs/dbraw/zinc/67/64/39/569676439.db2.gz LOSHPWDEBWPHKN-HSZRJFAPSA-N 1 1 470.013 3.996 50 0 JHAAMO Cc1cccc(N2CCN(C(=O)C[N@H+]3CC=C(c4cnn(-c5ccccc5)c4)CC3)CC2)c1C ZINC000035404167 569691529 /nfs/dbraw/zinc/69/15/29/569691529.db2.gz APBGMCROAKYZGU-UHFFFAOYSA-N 1 1 455.606 3.927 50 0 JHAAMO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC=C(c4cnn(-c5ccccc5)c4)CC3)CC2)c1C ZINC000035404167 569691531 /nfs/dbraw/zinc/69/15/31/569691531.db2.gz APBGMCROAKYZGU-UHFFFAOYSA-N 1 1 455.606 3.927 50 0 JHAAMO COc1ccc2cc(C(=O)N3CCC(CC(=O)NCCC[N@H+]4CCCC[C@@H]4C)CC3)[nH]c2c1 ZINC000035454098 569697390 /nfs/dbraw/zinc/69/73/90/569697390.db2.gz UWZVFKKZMPQOMG-IBGZPJMESA-N 1 1 454.615 3.800 50 0 JHAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035851715 569716616 /nfs/dbraw/zinc/71/66/16/569716616.db2.gz YWNYZYIBJDIZLN-DHMIZTNRSA-N 1 1 451.526 3.888 50 0 JHAAMO C[N@@H+]1CCN(C(=O)/C=C\c2ccc(S(=O)(=O)N3CCCCCC3)cc2)[C@H](c2ccccc2)C1 ZINC000096925960 569743735 /nfs/dbraw/zinc/74/37/35/569743735.db2.gz CJLRTGZBSCLYRL-KRYZVCHRSA-N 1 1 467.635 3.780 50 0 JHAAMO C[N@H+]1CCN(C(=O)/C=C\c2ccc(S(=O)(=O)N3CCCCCC3)cc2)[C@H](c2ccccc2)C1 ZINC000096925960 569743736 /nfs/dbraw/zinc/74/37/36/569743736.db2.gz CJLRTGZBSCLYRL-KRYZVCHRSA-N 1 1 467.635 3.780 50 0 JHAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](C(=O)OCC)C2)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000035991272 569744386 /nfs/dbraw/zinc/74/43/86/569744386.db2.gz CKXKFIPZXXFANW-OFNKIYASSA-N 1 1 471.598 3.598 50 0 JHAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000035991272 569744387 /nfs/dbraw/zinc/74/43/87/569744387.db2.gz CKXKFIPZXXFANW-OFNKIYASSA-N 1 1 471.598 3.598 50 0 JHAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCOCC1 ZINC000036249802 569758180 /nfs/dbraw/zinc/75/81/80/569758180.db2.gz ASPYFBQMWASCQJ-JOCHJYFZSA-N 1 1 469.582 3.807 50 0 JHAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCOCC1 ZINC000036249802 569758181 /nfs/dbraw/zinc/75/81/81/569758181.db2.gz ASPYFBQMWASCQJ-JOCHJYFZSA-N 1 1 469.582 3.807 50 0 JHAAMO 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COc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@@H](c3ccccc3C)C2)c(OC)c1 ZINC000036342814 569766077 /nfs/dbraw/zinc/76/60/77/569766077.db2.gz XBYIUWPAJLCBSR-XMMPIXPASA-N 1 1 479.577 3.529 50 0 JHAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@@H](c3ccc(C)cc3C)C2)cc1 ZINC000036343156 569766189 /nfs/dbraw/zinc/76/61/89/569766189.db2.gz IGPSKCXSHNUGGJ-RUZDIDTESA-N 1 1 463.578 3.829 50 0 JHAAMO CCOC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346008 569768856 /nfs/dbraw/zinc/76/88/56/569768856.db2.gz RWLNYLMBCDLEGE-NRFANRHFSA-N 1 1 457.546 3.958 50 0 JHAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346008 569768858 /nfs/dbraw/zinc/76/88/58/569768858.db2.gz RWLNYLMBCDLEGE-NRFANRHFSA-N 1 1 457.546 3.958 50 0 JHAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)COC ZINC000036346574 569770094 /nfs/dbraw/zinc/77/00/94/569770094.db2.gz LXQJPHWEADNUAR-HXUWFJFHSA-N 1 1 461.509 3.707 50 0 JHAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)COC ZINC000036346574 569770095 /nfs/dbraw/zinc/77/00/95/569770095.db2.gz LXQJPHWEADNUAR-HXUWFJFHSA-N 1 1 461.509 3.707 50 0 JHAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344299 569793771 /nfs/dbraw/zinc/79/37/71/569793771.db2.gz DXTOYFRFQKMZLK-FLFXDLLNSA-N 1 1 453.901 3.527 50 0 JHAAMO O=c1occ(C[NH+]2CCN(c3ccc(F)cc3)CC2)c([O-])c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000101412442 569797288 /nfs/dbraw/zinc/79/72/88/569797288.db2.gz NVNUSXZBLFZYDO-NRFANRHFSA-N 1 1 463.553 3.796 50 0 JHAAMO CCC[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000040151440 569819942 /nfs/dbraw/zinc/81/99/42/569819942.db2.gz MLAGHECGBBSGPT-OAHLLOKOSA-N 1 1 472.438 3.773 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105009603 569850422 /nfs/dbraw/zinc/85/04/22/569850422.db2.gz FKTXJVZBLFFLPO-PXDATVDWSA-N 1 1 493.604 3.965 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105009603 569850423 /nfs/dbraw/zinc/85/04/23/569850423.db2.gz FKTXJVZBLFFLPO-PXDATVDWSA-N 1 1 493.604 3.965 50 0 JHAAMO CN(C[C@H]1CCC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccccc1 ZINC000106172052 569853819 /nfs/dbraw/zinc/85/38/19/569853819.db2.gz UWGMUHJOKKMLKP-NQIIRXRSSA-N 1 1 460.500 3.894 50 0 JHAAMO CN(C[C@H]1CCC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccccc1 ZINC000106172052 569853820 /nfs/dbraw/zinc/85/38/20/569853820.db2.gz UWGMUHJOKKMLKP-NQIIRXRSSA-N 1 1 460.500 3.894 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@@]12[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000138244180 569865776 /nfs/dbraw/zinc/86/57/76/569865776.db2.gz NVXIQRPWPCLIEH-GQNXPXPTSA-N 1 1 457.917 3.924 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@@]12[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000138244180 569865777 /nfs/dbraw/zinc/86/57/77/569865777.db2.gz NVXIQRPWPCLIEH-GQNXPXPTSA-N 1 1 457.917 3.924 50 0 JHAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CSc1nnc2c3ccccc3n(C)c2n1 ZINC000230065990 570044214 /nfs/dbraw/zinc/04/42/14/570044214.db2.gz DFYVCPBYRSUYRV-WIYYLYMNSA-N 1 1 458.591 3.752 50 0 JHAAMO CC[N@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@H]2C1 ZINC000245326846 570064837 /nfs/dbraw/zinc/06/48/37/570064837.db2.gz MEKLBGGNMFECRK-BWKNWUBXSA-N 1 1 466.969 3.554 50 0 JHAAMO CCC[C@@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000245327906 570065496 /nfs/dbraw/zinc/06/54/96/570065496.db2.gz LEQMHXGNBDVRDC-NFBKMPQASA-N 1 1 478.630 3.892 50 0 JHAAMO CC(C)OC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 ZINC000245330078 570066523 /nfs/dbraw/zinc/06/65/23/570066523.db2.gz WXQYKJIDWNVQMJ-ZJSXRUAMSA-N 1 1 472.651 3.751 50 0 JHAAMO COc1cccc(C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@H]2CC(c3ccc4c(c3)OCO4)=NO2)c1 ZINC000247930622 570071338 /nfs/dbraw/zinc/07/13/38/570071338.db2.gz RQCSERMGGZPLTK-ZJSXRUAMSA-N 1 1 494.544 3.590 50 0 JHAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000248329910 570077769 /nfs/dbraw/zinc/07/77/69/570077769.db2.gz DXTOYFRFQKMZLK-GSRZOBFVSA-N 1 1 453.901 3.527 50 0 JHAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000248342589 570078200 /nfs/dbraw/zinc/07/82/00/570078200.db2.gz YLUQWJAHLLAJBJ-KKQCDPINSA-N 1 1 451.526 3.888 50 0 JHAAMO Cc1ncnc(C)c1C(=O)N1CCC([N@H+]2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@@H](C)C2)CC1 ZINC000252495208 570082127 /nfs/dbraw/zinc/08/21/27/570082127.db2.gz ONOHCPCNQRWZLD-AWEZNQCLSA-N 1 1 496.965 3.976 50 0 JHAAMO Cc1ncnc(C)c1C(=O)N1CCC([N@@H+]2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@@H](C)C2)CC1 ZINC000252495208 570082128 /nfs/dbraw/zinc/08/21/28/570082128.db2.gz ONOHCPCNQRWZLD-AWEZNQCLSA-N 1 1 496.965 3.976 50 0 JHAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CN1C(=O)c2ccccc2N[C@H]1c1ccccc1 ZINC000263585816 570171323 /nfs/dbraw/zinc/17/13/23/570171323.db2.gz MXFAQWDCQANSAX-DANFDKMISA-N 1 1 490.648 3.993 50 0 biogenic JHAAMO C[N@@H+](CCNC(=O)CN1C(=O)/C(=C\c2ccccc2F)Oc2ccccc21)CCc1ccccc1 ZINC000003058638 194221765 /nfs/dbraw/zinc/22/17/65/194221765.db2.gz TUTOIJHSSBFSBC-LGUFXXKBSA-N 1 1 473.548 3.883 50 0 JHAAMO C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000003439344 194324964 /nfs/dbraw/zinc/32/49/64/194324964.db2.gz WSSLHZIVKDLZGQ-UHFFFAOYSA-N 1 1 469.529 3.951 50 0 JHAAMO C[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000003439344 194324967 /nfs/dbraw/zinc/32/49/67/194324967.db2.gz WSSLHZIVKDLZGQ-UHFFFAOYSA-N 1 1 469.529 3.951 50 0 JHAAMO CSCC[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000004762590 194396312 /nfs/dbraw/zinc/39/63/12/194396312.db2.gz WLNCBVQNMILBKN-YDPRHXJPSA-N 1 1 492.705 3.518 50 0 JHAAMO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)c1cccc(OC)c1 ZINC000009220741 194606201 /nfs/dbraw/zinc/60/62/01/194606201.db2.gz IMQYEFWBXIYUDB-QHCPKHFHSA-N 1 1 498.649 3.989 50 0 JHAAMO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCc4ccc(OC)c(OC)c4)CC3)C2=O)cc1 ZINC000009933942 195026091 /nfs/dbraw/zinc/02/60/91/195026091.db2.gz FEIWUUVSSDLTQG-HSZRJFAPSA-N 1 1 494.588 3.857 50 0 JHAAMO C[NH+](C)[C@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)c1ccco1 ZINC000012604700 195049898 /nfs/dbraw/zinc/04/98/98/195049898.db2.gz WMMDNOASTFTGNV-LJQANCHMSA-N 1 1 492.395 3.876 50 0 JHAAMO C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000012694288 195089574 /nfs/dbraw/zinc/08/95/74/195089574.db2.gz ZRWHBTONCAVWFY-NTKDMRAZSA-N 1 1 479.602 3.986 50 0 JHAAMO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1I ZINC000012751482 195106142 /nfs/dbraw/zinc/10/61/42/195106142.db2.gz DOBMDQHZIDAFOD-INIZCTEOSA-N 1 1 477.346 3.889 50 0 JHAAMO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1I ZINC000012751482 195106143 /nfs/dbraw/zinc/10/61/43/195106143.db2.gz DOBMDQHZIDAFOD-INIZCTEOSA-N 1 1 477.346 3.889 50 0 JHAAMO CC(C)n1c(=O)c2ccc(Cl)cc2nc1SCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012803073 195140390 /nfs/dbraw/zinc/14/03/90/195140390.db2.gz VSIMTGUCAYXWMB-UHFFFAOYSA-N 1 1 493.073 3.874 50 0 JHAAMO CSCC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020745349 195215174 /nfs/dbraw/zinc/21/51/74/195215174.db2.gz RRMMDBMINIMIDG-NRFANRHFSA-N 1 1 451.592 3.629 50 0 JHAAMO O=C(COc1ccccc1)NCCc1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000020784236 195225586 /nfs/dbraw/zinc/22/55/86/195225586.db2.gz SYYMDNNSOOTEJE-UHFFFAOYSA-N 1 1 481.600 3.741 50 0 JHAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)NC[C@@H]1CCCN(c2ncccn2)C1 ZINC000020908647 195245310 /nfs/dbraw/zinc/24/53/10/195245310.db2.gz POPZLTKPBAXHCT-BKMJKUGQSA-N 1 1 471.605 3.835 50 0 JHAAMO CCN1CC[NH+](Cc2ccc(NC(=O)COCc3cc(-c4ccc(F)cc4)on3)cc2)CC1 ZINC000020925813 195249290 /nfs/dbraw/zinc/24/92/90/195249290.db2.gz ROXXBGORVIVIPM-UHFFFAOYSA-N 1 1 452.530 3.774 50 0 JHAAMO O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020937434 195253664 /nfs/dbraw/zinc/25/36/64/195253664.db2.gz OILHXHYXGSZWPR-UHFFFAOYSA-N 1 1 494.661 3.550 50 0 JHAAMO O=C(COCC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)NCc1ccccn1 ZINC000058066702 195363942 /nfs/dbraw/zinc/36/39/42/195363942.db2.gz ZKYDSFGUOHVCJQ-MHZLTWQESA-N 1 1 479.024 3.775 50 0 JHAAMO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000058085845 195364462 /nfs/dbraw/zinc/36/44/62/195364462.db2.gz QQYNBGDRAKCUCB-FGZHOGPDSA-N 1 1 451.995 3.891 50 0 JHAAMO C[C@@H]([NH2+][C@H](C)c1ccccc1Br)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000058135606 195365811 /nfs/dbraw/zinc/36/58/11/195365811.db2.gz KEPLPZHCFYZPAW-GHMZBOCLSA-N 1 1 458.278 3.660 50 0 JHAAMO CC(C)[C@H](C)[N@H+](Cc1nc(C(=O)NCCN2CCOCC2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069123 519812060 /nfs/dbraw/zinc/81/20/60/519812060.db2.gz PVLAPNMQIZEOAE-SFHVURJKSA-N 1 1 482.547 3.802 50 0 JHAAMO CC(C)[C@H](C)[N@@H+](Cc1nc(C(=O)NCCN2CCOCC2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069123 519812061 /nfs/dbraw/zinc/81/20/61/519812061.db2.gz PVLAPNMQIZEOAE-SFHVURJKSA-N 1 1 482.547 3.802 50 0 JHAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036305354 520091543 /nfs/dbraw/zinc/09/15/43/520091543.db2.gz XXFIIDFVCFYITP-NRFANRHFSA-N 1 1 469.582 3.734 50 0 JHAAMO CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C1CC1 ZINC000036308923 520153137 /nfs/dbraw/zinc/15/31/37/520153137.db2.gz URESGDSICBJLBE-KNQAVFIVSA-N 1 1 479.042 3.768 50 0 JHAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](CCN1CCOCC1)C[C@@H](O)Cc1ccccc1 ZINC000036208272 520935804 /nfs/dbraw/zinc/93/58/04/520935804.db2.gz JBTOIIJXCDPDHD-SANMLTNESA-N 1 1 492.664 3.926 50 0 JHAAMO CCCC[C@H]1C[N@@H+](CCNC(=O)Cc2cc(OC)c(OC)c(OC)c2)Cc2ccccc2O1 ZINC000012282589 521251582 /nfs/dbraw/zinc/25/15/82/521251582.db2.gz WJLQAPHLOCYYOP-NRFANRHFSA-N 1 1 456.583 3.825 50 0 JHAAMO CCOC(=O)c1ccc(C)c(N2CC[NH+](CCNC(=S)Nc3ccc(Cl)cc3)CC2)c1 ZINC000016393552 521473179 /nfs/dbraw/zinc/47/31/79/521473179.db2.gz NZRYREUWTYWZPX-UHFFFAOYSA-N 1 1 461.031 3.934 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](O)COC ZINC000036309416 521534716 /nfs/dbraw/zinc/53/47/16/521534716.db2.gz NURVWNZHPAZHMX-IRLDBZIGSA-N 1 1 460.640 3.589 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@H](O)COCC ZINC000036309229 521537098 /nfs/dbraw/zinc/53/70/98/521537098.db2.gz DXUYJOQAAKCDIC-UNMCSNQZSA-N 1 1 460.640 3.671 50 0 JHAAMO CC[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971088 521836388 /nfs/dbraw/zinc/83/63/88/521836388.db2.gz RUQIIVCOLWISKI-QFIPXVFZSA-N 1 1 464.614 3.531 50 0 JHAAMO CCn1c(C)cc(O)c([C@@H](c2ccc(OC)cc2OC)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000022697365 523137919 /nfs/dbraw/zinc/13/79/19/523137919.db2.gz RPFYNPLBLFWIEA-AREMUKBSSA-N 1 1 463.578 3.811 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncc2c(C)n(Cc3ccc(C)cc3)c(C)c2c1=O ZINC000020417155 523168241 /nfs/dbraw/zinc/16/82/41/523168241.db2.gz ZKAPDNVBQFZZJO-XMMPIXPASA-N 1 1 477.653 3.942 50 0 JHAAMO CCc1c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(=O)cc(C)n1Cc1ccc(OC)cc1 ZINC000020513739 523694089 /nfs/dbraw/zinc/69/40/89/523694089.db2.gz JTINRSQVUFQCFL-XUZZJYLKSA-N 1 1 451.611 3.770 50 0 JHAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)N3CCCC3)C[C@H](COc3cccc(F)c3)C2)cc1OC ZINC000014746088 524041342 /nfs/dbraw/zinc/04/13/42/524041342.db2.gz LTYZWXVDVOZFDU-LEWJYISDSA-N 1 1 456.558 3.982 50 0 JHAAMO COc1cccc([C@@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000022698066 524104721 /nfs/dbraw/zinc/10/47/21/524104721.db2.gz LOADSIXSNJDKJF-NDEPHWFRSA-N 1 1 497.599 3.621 50 0 JHAAMO C[C@H]1CN(C(=O)CCC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)c2cc(Cl)ccc2O1 ZINC000020466039 524465634 /nfs/dbraw/zinc/46/56/34/524465634.db2.gz STFRTILQSUIZEX-NRFANRHFSA-N 1 1 499.055 3.558 50 0 JHAAMO COc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035485290 524608594 /nfs/dbraw/zinc/60/85/94/524608594.db2.gz HFJAWQAOGQPIPI-UIOOFZCWSA-N 1 1 468.557 3.557 50 0 biogenic JHAAMO Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000033129038 524736123 /nfs/dbraw/zinc/73/61/23/524736123.db2.gz QTJFIJVBYNWISF-UHFFFAOYSA-N 1 1 456.034 3.588 50 0 JHAAMO COc1ccccc1[C@@H](c1c(O)cc(C)n(Cc2ccco2)c1=O)[NH+]1CCN(c2ccccn2)CC1 ZINC000022698169 524745203 /nfs/dbraw/zinc/74/52/03/524745203.db2.gz VINWKIZQGMMAKH-MHZLTWQESA-N 1 1 486.572 3.819 50 0 JHAAMO COc1ccc(OCC[NH+]2CCN(CC(=O)Nc3nc(-c4c[nH]c5ccccc54)cs3)CC2)cc1 ZINC000022788289 524952884 /nfs/dbraw/zinc/95/28/84/524952884.db2.gz WVFSFBTWPSZXAY-UHFFFAOYSA-N 1 1 491.617 3.935 50 0 JHAAMO Cc1c(C(=O)NCC2CC[NH+](Cc3ccccc3C)CC2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048308 525606238 /nfs/dbraw/zinc/60/62/38/525606238.db2.gz NTAVQQFXIVMLRR-UHFFFAOYSA-N 1 1 492.693 3.702 50 0 JHAAMO Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1C ZINC000022789120 526052871 /nfs/dbraw/zinc/05/28/71/526052871.db2.gz JEDSBAYRSRCQAC-LJAQVGFWSA-N 1 1 468.601 3.874 50 0 JHAAMO Cc1ccc2cc(/C=C(\NC(=O)c3ccccc3)C(=O)NCCC[NH+]3CCOCC3)c(Cl)nc2c1 ZINC000033435697 526224311 /nfs/dbraw/zinc/22/43/11/526224311.db2.gz BFNDIEPOCRZNMZ-MOHJPFBDSA-N 1 1 493.007 3.806 50 0 JHAAMO Cc1c[nH+]cn1CCc1nc2c3ccccc3nc(SCC(=O)Nc3ccccc3F)n2n1 ZINC000008609676 526246449 /nfs/dbraw/zinc/24/64/49/526246449.db2.gz DTIJYZJKNWSTQQ-UHFFFAOYSA-N 1 1 461.526 3.895 50 0 JHAAMO Cc1noc(C)c1CC(=O)N1CCOc2ccc(C[N@H+]3CCC[C@H](C(=O)c4cccnc4)C3)cc2C1 ZINC000014952358 526478722 /nfs/dbraw/zinc/47/87/22/526478722.db2.gz CCLYEOYKIBGDOP-QHCPKHFHSA-N 1 1 488.588 3.745 50 0 JHAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O ZINC000012327671 527047012 /nfs/dbraw/zinc/04/70/12/527047012.db2.gz MYNGOHSPFLAYLV-QFIPXVFZSA-N 1 1 476.621 3.594 50 0 JHAAMO O=C(CSc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000033261369 527081686 /nfs/dbraw/zinc/08/16/86/527081686.db2.gz SHMWMLORQKCZPM-UHFFFAOYSA-N 1 1 485.610 3.586 50 0 JHAAMO O=c1nc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000022801249 527438873 /nfs/dbraw/zinc/43/88/73/527438873.db2.gz XUFBOJAKZMIEMH-OAQYLSRUSA-N 1 1 464.566 3.954 50 0 JHAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@H](O)CN2CCOCC2)CC2CC2)c1Oc1ccccc1F ZINC000036306912 527538797 /nfs/dbraw/zinc/53/87/97/527538797.db2.gz HXUSRGDULAETKW-HSZRJFAPSA-N 1 1 494.611 3.924 50 0 JHAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@H](O)CN1CCOCC1)C1CC1 ZINC000036304845 527550051 /nfs/dbraw/zinc/55/00/51/527550051.db2.gz QGPPVVJYPAKKIB-RUZDIDTESA-N 1 1 476.621 3.939 50 0 JHAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@H](O)CN1CCOCC1)C1CC1 ZINC000036304845 527550056 /nfs/dbraw/zinc/55/00/56/527550056.db2.gz QGPPVVJYPAKKIB-RUZDIDTESA-N 1 1 476.621 3.939 50 0 JHAAMO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCN(c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000033071549 527667438 /nfs/dbraw/zinc/66/74/38/527667438.db2.gz TVHDTJPSWPYUFG-IBGZPJMESA-N 1 1 499.034 3.900 50 0 JHAAMO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCN(c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000033071566 527667478 /nfs/dbraw/zinc/66/74/78/527667478.db2.gz KSRNEUAXTCJCPN-FQEVSTJZSA-N 1 1 481.044 3.761 50 0 JHAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000021634383 527668152 /nfs/dbraw/zinc/66/81/52/527668152.db2.gz GRWDEKIFWVGHAD-MHZLTWQESA-N 1 1 486.591 3.726 50 0 JHAAMO COCCCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12 ZINC000096457227 536582246 /nfs/dbraw/zinc/58/22/46/536582246.db2.gz SOZJCASWIUHEIB-ISKFKSNPSA-N 1 1 491.554 3.600 50 0 JHAAMO COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)N3CC[N@H+]4CCC[C@H]4C3)n2)cc1 ZINC000000920542 553853545 /nfs/dbraw/zinc/85/35/45/553853545.db2.gz HHTPQGFGDMSKOS-INIZCTEOSA-N 1 1 466.529 3.960 50 0 JHAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CSc1nnnn1-c1ccc(Cl)cc1 ZINC000000970049 553887013 /nfs/dbraw/zinc/88/70/13/553887013.db2.gz GJNBAISSZRNGTM-UYAOXDASSA-N 1 1 454.987 3.551 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002227790 554104033 /nfs/dbraw/zinc/10/40/33/554104033.db2.gz RQKPMLMXMQTLBT-FXKZBUDASA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002227790 554104037 /nfs/dbraw/zinc/10/40/37/554104037.db2.gz RQKPMLMXMQTLBT-FXKZBUDASA-N 1 1 456.329 3.733 50 0 JHAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)c(I)c2)N3)C1 ZINC000008927634 554824994 /nfs/dbraw/zinc/82/49/94/554824994.db2.gz RESSDAKJRJIRIP-OAHLLOKOSA-N 1 1 455.321 3.865 50 0 JHAAMO CCC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2ccc(OC)cc2)cn3CC)CC1 ZINC000009119294 554909976 /nfs/dbraw/zinc/90/99/76/554909976.db2.gz QWXJVLKXVOIUJO-UHFFFAOYSA-N 1 1 487.597 3.534 50 0 JHAAMO CCCC[N@@H+](CCCNC(=O)[C@H]1CCCN(c2ncnc3onc(C)c32)C1)Cc1ccccc1 ZINC000009267788 555043095 /nfs/dbraw/zinc/04/30/95/555043095.db2.gz SZQAZAPYGGTPKX-QFIPXVFZSA-N 1 1 464.614 3.951 50 0 JHAAMO C[C@H](C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)N1C(=O)c2ccccc2C1=O ZINC000019854711 555512053 /nfs/dbraw/zinc/51/20/53/555512053.db2.gz XLJWDUQENLBQQP-GOSISDBHSA-N 1 1 451.526 3.585 50 0 JHAAMO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000013598054 555529688 /nfs/dbraw/zinc/52/96/88/555529688.db2.gz ALJUJVMIGDRRBH-UHFFFAOYSA-N 1 1 465.550 3.865 50 0 JHAAMO CC[C@H](C)[N@@H+](CCCNC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O)Cc1ccco1 ZINC000009857740 555558954 /nfs/dbraw/zinc/55/89/54/555558954.db2.gz WBKIROJFBVUOMA-NRFANRHFSA-N 1 1 487.604 3.782 50 0 JHAAMO C[N@@H+](CCCNC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)Cc1ccccc1 ZINC000009982838 555582148 /nfs/dbraw/zinc/58/21/48/555582148.db2.gz LQKYWVCLQVLZMS-UHFFFAOYSA-N 1 1 464.566 3.902 50 0 JHAAMO Cc1ccccc1N1C(=O)[C@H]2[C@H](C(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000013689431 555582956 /nfs/dbraw/zinc/58/29/56/555582956.db2.gz ZYDJWCHSNJXKHT-ZASNTINBSA-N 1 1 490.563 3.685 50 0 JHAAMO COc1ccc([C@H](CNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)[NH+]2CCCCC2)cc1 ZINC000010109558 555619401 /nfs/dbraw/zinc/61/94/01/555619401.db2.gz MZNPNVYQRGOVET-QHCPKHFHSA-N 1 1 464.541 3.646 50 0 JHAAMO CCN(CC)CC(=O)Nc1ccc(-c2ccc(NC(=O)C[NH+](CC)CC)c(OC)c2)cc1OC ZINC000010150506 555637330 /nfs/dbraw/zinc/63/73/30/555637330.db2.gz XCLUCCKTHXCGGE-UHFFFAOYSA-N 1 1 470.614 3.931 50 0 JHAAMO CC[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCc2nnc3ccc(N4CCC(C)CC4)nn32)o1 ZINC000020530502 555797461 /nfs/dbraw/zinc/79/74/61/555797461.db2.gz PUEKXZTXIJQGCV-NRFANRHFSA-N 1 1 493.656 3.967 50 0 JHAAMO CC[N@@H+](CCCNC(=O)[C@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1)Cc1ccccc1 ZINC000020530650 555798121 /nfs/dbraw/zinc/79/81/21/555798121.db2.gz DRHQBNPHHODYTK-QHCPKHFHSA-N 1 1 477.609 3.990 50 0 JHAAMO CC[C@H]1CCCC[N@H+]1Cc1nc2cc(OC)c(OC)cc2c(N2CCC(C(=O)OC)CC2)n1 ZINC000011784021 555815513 /nfs/dbraw/zinc/81/55/13/555815513.db2.gz DUOPHYOVOCVOKA-SFHVURJKSA-N 1 1 456.587 3.801 50 0 JHAAMO COc1ccccc1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](Cc2ccncc2)C1 ZINC000014535295 555824336 /nfs/dbraw/zinc/82/43/36/555824336.db2.gz RKLHKCQWRYVXFN-FCHUYYIVSA-N 1 1 476.552 3.623 50 0 JHAAMO C[NH+](C)CCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cc4ccccc4[nH]3)CC2)C1=O ZINC000014542480 555833368 /nfs/dbraw/zinc/83/33/68/555833368.db2.gz PQOMMTIWFAFEEU-UHFFFAOYSA-N 1 1 487.648 3.961 50 0 JHAAMO Cc1ccsc1C[N@@H+]1C[C@H](n2cnnn2)C[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000014987783 555841797 /nfs/dbraw/zinc/84/17/97/555841797.db2.gz DPABGAIXRYTCLR-YADHBBJMSA-N 1 1 458.591 3.764 50 0 JHAAMO Cc1ccsc1C[N@H+]1C[C@H](n2cnnn2)C[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000014987783 555841801 /nfs/dbraw/zinc/84/18/01/555841801.db2.gz DPABGAIXRYTCLR-YADHBBJMSA-N 1 1 458.591 3.764 50 0 JHAAMO Cc1ccc(-c2ccnc(-n3ncc(C(=O)N4CCC([N@@H+]5C[C@@H](C)O[C@@H](C)C5)CC4)c3C3CC3)n2)o1 ZINC000015009130 555853393 /nfs/dbraw/zinc/85/33/93/555853393.db2.gz MUIGYCQOUOPPOM-KDURUIRLSA-N 1 1 490.608 3.822 50 0 JHAAMO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(OC)c(OC)c3OC)no2)c2cccnc12 ZINC000012112319 555908325 /nfs/dbraw/zinc/90/83/25/555908325.db2.gz IIRYTCDPRLXNOL-UHFFFAOYSA-N 1 1 450.495 3.951 50 0 JHAAMO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc(OC)c(OC)c3OC)no2)c2cccnc12 ZINC000012112319 555908326 /nfs/dbraw/zinc/90/83/26/555908326.db2.gz IIRYTCDPRLXNOL-UHFFFAOYSA-N 1 1 450.495 3.951 50 0 JHAAMO O[C@@H](COc1ccc2ccccc2c1)CN1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000022289083 555917817 /nfs/dbraw/zinc/91/78/17/555917817.db2.gz VPQSSVNMVITGTF-KAYWLYCHSA-N 1 1 486.612 3.790 50 0 JHAAMO O[C@@H](COc1cccc2ccccc21)CN1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000022289083 555917820 /nfs/dbraw/zinc/91/78/20/555917820.db2.gz VPQSSVNMVITGTF-KAYWLYCHSA-N 1 1 486.612 3.790 50 0 JHAAMO O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000012342387 555955297 /nfs/dbraw/zinc/95/52/97/555955297.db2.gz ASVRFKIOTAJDIC-DEOSSOPVSA-N 1 1 472.614 3.804 50 0 JHAAMO O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000012342387 555955301 /nfs/dbraw/zinc/95/53/01/555955301.db2.gz ASVRFKIOTAJDIC-DEOSSOPVSA-N 1 1 472.614 3.804 50 0 JHAAMO Cc1ccc2nc(-c3ccc(NC(=O)CN4CCC[N@@H+](CC(=O)NC(C)C)CC4)cc3)sc2c1 ZINC000022913452 555968939 /nfs/dbraw/zinc/96/89/39/555968939.db2.gz VWDQWCALUWBHHX-UHFFFAOYSA-N 1 1 479.650 3.743 50 0 JHAAMO Cc1ccc2nc(-c3ccc(NC(=O)CN4CCC[N@H+](CC(=O)NC(C)C)CC4)cc3)sc2c1 ZINC000022913452 555968943 /nfs/dbraw/zinc/96/89/43/555968943.db2.gz VWDQWCALUWBHHX-UHFFFAOYSA-N 1 1 479.650 3.743 50 0 JHAAMO C[C@H]1CSc2ccc(S(=O)(=O)N3CCC([N@@H+](C)C4CCCCC4)CC3)cc2NC1=O ZINC000015731175 555974022 /nfs/dbraw/zinc/97/40/22/555974022.db2.gz FVZUWAVJOJKEDS-INIZCTEOSA-N 1 1 451.658 3.785 50 0 JHAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000015782694 556001036 /nfs/dbraw/zinc/00/10/36/556001036.db2.gz LKYJCEXTWBFNRF-OAQYLSRUSA-N 1 1 475.420 3.593 50 0 JHAAMO COc1cc(CN2CCC(C(=O)N(CC[NH+](C)C)Cc3ccccc3)CC2)cc(OC)c1OC ZINC000015856030 556023989 /nfs/dbraw/zinc/02/39/89/556023989.db2.gz DASJSUPXOBDJPL-UHFFFAOYSA-N 1 1 469.626 3.515 50 0 JHAAMO O=C(Cc1cccc(F)c1)N1CCOc2ccc(C[NH+]3CCN(Cc4ccccn4)CC3)cc2C1 ZINC000023159118 556026578 /nfs/dbraw/zinc/02/65/78/556026578.db2.gz PCOTVFUFOIEMDO-UHFFFAOYSA-N 1 1 474.580 3.502 50 0 JHAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc(OC)c(Br)c(OC)c3)CC2)cc1 ZINC000023245576 556033697 /nfs/dbraw/zinc/03/36/97/556033697.db2.gz RTWNDWKHSLRGON-UHFFFAOYSA-N 1 1 463.372 3.823 50 0 JHAAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)nc1 ZINC000023967759 556107345 /nfs/dbraw/zinc/10/73/45/556107345.db2.gz KNUGCQXPYVSYTK-UHFFFAOYSA-N 1 1 496.633 3.636 50 0 JHAAMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016010013 556108971 /nfs/dbraw/zinc/10/89/71/556108971.db2.gz PEGRHPCEDBXBQM-NLJXWPIHSA-N 1 1 451.526 3.685 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@]12[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000016033614 556117727 /nfs/dbraw/zinc/11/77/27/556117727.db2.gz NVXIQRPWPCLIEH-BPUGDSSMSA-N 1 1 457.917 3.924 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@]12[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016033614 556117729 /nfs/dbraw/zinc/11/77/29/556117729.db2.gz NVXIQRPWPCLIEH-BPUGDSSMSA-N 1 1 457.917 3.924 50 0 JHAAMO Cc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1C ZINC000016312006 556134592 /nfs/dbraw/zinc/13/45/92/556134592.db2.gz YFEJLGKHLJMSPX-UHFFFAOYSA-N 1 1 477.630 3.843 50 0 JHAAMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)CCc4nnc(-c5ccccc5)o4)CC3)n2)cc1 ZINC000024823292 556156809 /nfs/dbraw/zinc/15/68/09/556156809.db2.gz XSMNVRGVYMZTEE-UHFFFAOYSA-N 1 1 486.576 3.805 50 0 JHAAMO C[NH+]1CCN(c2ccc(-c3ccc(NS(=O)(=O)c4ccc(F)c(C(F)(F)F)c4)cc3)nn2)CC1 ZINC000016916044 556180113 /nfs/dbraw/zinc/18/01/13/556180113.db2.gz UXQCGXADEBNANN-UHFFFAOYSA-N 1 1 495.502 3.854 50 0 JHAAMO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)ccc1C ZINC000012991992 556184539 /nfs/dbraw/zinc/18/45/39/556184539.db2.gz DHASESVIYQUTAL-HOTGVXAUSA-N 1 1 453.555 3.982 50 0 JHAAMO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1OC ZINC000012997957 556190603 /nfs/dbraw/zinc/19/06/03/556190603.db2.gz RZARBNFXGRTLDB-HSZRJFAPSA-N 1 1 478.593 3.643 50 0 JHAAMO Cc1ccc(-c2cc(C(=O)NC[C@@H]([C@@H]3CCOC3)[NH+]3CCOCC3)c3ccccc3n2)c(C)c1 ZINC000013008987 556200466 /nfs/dbraw/zinc/20/04/66/556200466.db2.gz MVGKEKGYIAOGAW-ZBLYBZFDSA-N 1 1 459.590 3.986 50 0 JHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc(OC)cc4OC)CC3)n2)cc1 ZINC000017012394 556202320 /nfs/dbraw/zinc/20/23/20/556202320.db2.gz QWCUZJYOPQWEAO-UHFFFAOYSA-N 1 1 463.538 3.517 50 0 JHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc(Br)o4)CC3)n2)cc1 ZINC000017012405 556202440 /nfs/dbraw/zinc/20/24/40/556202440.db2.gz STEUQGGOSSDGMN-UHFFFAOYSA-N 1 1 472.343 3.855 50 0 JHAAMO CCCCN(C(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013038718 556237733 /nfs/dbraw/zinc/23/77/33/556237733.db2.gz RHKYDFYETVLYLQ-CQSZACIVSA-N 1 1 484.428 3.566 50 0 JHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccccc1I ZINC000017306250 556253625 /nfs/dbraw/zinc/25/36/25/556253625.db2.gz VJRFGMZECQZCCX-CQSZACIVSA-N 1 1 461.307 3.503 50 0 JHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccccc1I ZINC000017306250 556253626 /nfs/dbraw/zinc/25/36/26/556253626.db2.gz VJRFGMZECQZCCX-CQSZACIVSA-N 1 1 461.307 3.503 50 0 JHAAMO COC(=O)c1c2c(sc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(-n3cncn3)cc1)CCCC2 ZINC000017305905 556253703 /nfs/dbraw/zinc/25/37/03/556253703.db2.gz FDHCDYZZBZKUSV-OAHLLOKOSA-N 1 1 453.568 3.626 50 0 JHAAMO COC(=O)c1c2c(sc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(-n3cncn3)cc1)CCCC2 ZINC000017305905 556253706 /nfs/dbraw/zinc/25/37/06/556253706.db2.gz FDHCDYZZBZKUSV-OAHLLOKOSA-N 1 1 453.568 3.626 50 0 JHAAMO CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccccc3OC)[NH+](C)C)cc2)cc1 ZINC000018011488 556276137 /nfs/dbraw/zinc/27/61/37/556276137.db2.gz HRMMDWQQTMQDJT-XMMPIXPASA-N 1 1 497.617 3.927 50 0 JHAAMO CCOC(=O)C1=C(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)NC(=O)N[C@H]1c1ccco1 ZINC000027574799 556299498 /nfs/dbraw/zinc/29/94/98/556299498.db2.gz JDOFRSBBXPCSLB-QHCPKHFHSA-N 1 1 467.522 3.624 50 0 JHAAMO COc1cccc(NC(=O)COc2ccc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cc2)c1 ZINC000030029192 556362857 /nfs/dbraw/zinc/36/28/57/556362857.db2.gz OEXWNZCSXNFTSV-VWLOTQADSA-N 1 1 459.546 3.842 50 0 JHAAMO COc1cccc(NC(=O)COc2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cc2)c1 ZINC000030029192 556362861 /nfs/dbraw/zinc/36/28/61/556362861.db2.gz OEXWNZCSXNFTSV-VWLOTQADSA-N 1 1 459.546 3.842 50 0 JHAAMO CCOc1cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1OCc1ccncc1 ZINC000032425375 556435341 /nfs/dbraw/zinc/43/53/41/556435341.db2.gz XTADAUSLPXPJGC-UHFFFAOYSA-N 1 1 461.562 3.822 50 0 JHAAMO Cc1cc(CN2CC[NH+](C[C@@H](O)COC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)on1 ZINC000032491245 556436272 /nfs/dbraw/zinc/43/62/72/556436272.db2.gz WAPXLFORRSISIP-HSZRJFAPSA-N 1 1 457.521 3.546 50 0 JHAAMO O=C1c2ccccc2C(=O)N1CCCC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000032753435 556486251 /nfs/dbraw/zinc/48/62/51/556486251.db2.gz CUHKJROSTLDMJD-UHFFFAOYSA-N 1 1 466.891 3.952 50 0 JHAAMO Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NCCC[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)ccc12 ZINC000032899222 556526747 /nfs/dbraw/zinc/52/67/47/556526747.db2.gz JTOAGNPNMJDDGO-BGYRXZFFSA-N 1 1 464.562 3.910 50 0 JHAAMO O=C(CCN1Cc2ccccc2O[C@H](c2ccccc2F)C1)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000012019956 562958428 /nfs/dbraw/zinc/95/84/28/562958428.db2.gz WKNYXGJOIYXDGC-KCWPFWIISA-N 1 1 481.612 3.599 50 0 JHAAMO O=C(CCN1Cc2ccccc2O[C@H](c2ccccc2F)C1)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000012019956 562958429 /nfs/dbraw/zinc/95/84/29/562958429.db2.gz WKNYXGJOIYXDGC-KCWPFWIISA-N 1 1 481.612 3.599 50 0 JHAAMO O=C1C[C@@H]([NH+]2CCC(n3nnc(-c4cccs4)n3)CC2)C(=O)N1c1ccc2ccccc2c1 ZINC000008694553 569593185 /nfs/dbraw/zinc/59/31/85/569593185.db2.gz KBJBVOHMOLKWKM-HXUWFJFHSA-N 1 1 458.547 3.524 50 0 JHAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCN(CC(=O)N5CCCCC5)CC3)n2)CCC4)CC1 ZINC000057303799 569596192 /nfs/dbraw/zinc/59/61/92/569596192.db2.gz QEKADPNGQYQQNN-UHFFFAOYSA-N 1 1 496.725 3.546 50 0 JHAAMO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@@H+]3[C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000059489216 569605680 /nfs/dbraw/zinc/60/56/80/569605680.db2.gz QNKVELHVUBLGEW-GXYVPTEVSA-N 1 1 453.926 3.787 50 0 biogenic JHAAMO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@H+]3[C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000059489216 569605682 /nfs/dbraw/zinc/60/56/82/569605682.db2.gz QNKVELHVUBLGEW-GXYVPTEVSA-N 1 1 453.926 3.787 50 0 biogenic JHAAMO CCN1CC[NH+](CCCNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)CC1 ZINC000032974938 569605816 /nfs/dbraw/zinc/60/58/16/569605816.db2.gz QVNSIQYDRLCQHX-UHFFFAOYSA-N 1 1 459.638 3.924 50 0 JHAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1ccc(C)c2C ZINC000061943450 569609348 /nfs/dbraw/zinc/60/93/48/569609348.db2.gz YWKFYZTUKJPRKV-PNOLHXSVSA-N 1 1 479.964 3.705 50 0 JHAAMO Cc1ccc(Cn2c3ccccc3nc(SCC(=O)NCC[N@@H+]3CCCC[C@H]3C)c2=O)cc1 ZINC000033006835 569614867 /nfs/dbraw/zinc/61/48/67/569614867.db2.gz CUYYCXNCEHXSGS-HXUWFJFHSA-N 1 1 464.635 3.836 50 0 JHAAMO Cc1cccc(C(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)cc4)c3C2)c1 ZINC000034676657 569641599 /nfs/dbraw/zinc/64/15/99/569641599.db2.gz IVXOUPMNUWTWKB-UHFFFAOYSA-N 1 1 461.541 3.667 50 0 JHAAMO Cc1ccc(C(=O)N2CCC[N@H+](C[C@@H]3CN(C(=O)Nc4cccc(Cl)c4)CCO3)CC2)cc1 ZINC000034692131 569646306 /nfs/dbraw/zinc/64/63/06/569646306.db2.gz BJZKVQRNDDBXSW-HSZRJFAPSA-N 1 1 471.001 3.729 50 0 JHAAMO Cc1ccc(C(=O)N2CCC[N@@H+](C[C@@H]3CN(C(=O)Nc4cccc(Cl)c4)CCO3)CC2)cc1 ZINC000034692131 569646307 /nfs/dbraw/zinc/64/63/07/569646307.db2.gz BJZKVQRNDDBXSW-HSZRJFAPSA-N 1 1 471.001 3.729 50 0 JHAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000034787629 569659674 /nfs/dbraw/zinc/65/96/74/569659674.db2.gz JXHJMKSRIPMHSJ-SANMLTNESA-N 1 1 459.615 3.989 50 0 JHAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000034787629 569659676 /nfs/dbraw/zinc/65/96/76/569659676.db2.gz JXHJMKSRIPMHSJ-SANMLTNESA-N 1 1 459.615 3.989 50 0 JHAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn21 ZINC000034833863 569664621 /nfs/dbraw/zinc/66/46/21/569664621.db2.gz CUJALYILGIHYOY-UHFFFAOYSA-N 1 1 459.525 3.655 50 0 JHAAMO COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCC[N@H+]4CCCC[C@H]4C)CC3)[nH]c2c1 ZINC000035343054 569681396 /nfs/dbraw/zinc/68/13/96/569681396.db2.gz USLQPSIGYYSCTM-MOPGFXCFSA-N 1 1 454.615 3.655 50 0 JHAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000035369415 569682862 /nfs/dbraw/zinc/68/28/62/569682862.db2.gz HZWRDYGRQQRKPO-UNKHORCTSA-N 1 1 486.355 3.742 50 0 JHAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000035369415 569682863 /nfs/dbraw/zinc/68/28/63/569682863.db2.gz HZWRDYGRQQRKPO-UNKHORCTSA-N 1 1 486.355 3.742 50 0 JHAAMO COc1cccc([C@@H](C)NC(=O)C[NH+]2CCC3(CC2)NC(c2ccc(OC(F)(F)F)cc2)=NO3)c1 ZINC000067317678 569686836 /nfs/dbraw/zinc/68/68/36/569686836.db2.gz GKHLSJABLHCILU-MRXNPFEDSA-N 1 1 492.498 3.545 50 0 JHAAMO COc1cc(NC(=O)N2CCC(CC(=O)NCCC[N@H+]3CCCC[C@@H]3C)CC2)cc(OC)c1OC ZINC000035399182 569689631 /nfs/dbraw/zinc/68/96/31/569689631.db2.gz URTDKCPUVOKOFG-IBGZPJMESA-N 1 1 490.645 3.727 50 0 JHAAMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)C[C@@H](C)O1 ZINC000069982542 569694439 /nfs/dbraw/zinc/69/44/39/569694439.db2.gz CQSJGFJXTDQKOE-HLIPFELVSA-N 1 1 469.586 3.849 50 0 JHAAMO CCCCCn1c2nnc(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)n2c2ccsc2c1=O ZINC000035528644 569699826 /nfs/dbraw/zinc/69/98/26/569699826.db2.gz CDUNFKKNCQNPOJ-UHFFFAOYSA-N 1 1 492.649 3.573 50 0 JHAAMO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NCCN3CCN(C)CC3)CC2)cc2ccccc21 ZINC000035561574 569704554 /nfs/dbraw/zinc/70/45/54/569704554.db2.gz YDTIGZIKBYJNEM-UHFFFAOYSA-N 1 1 487.692 3.574 50 0 JHAAMO Cc1ccc(-c2noc(CCN(CCC[NH+]3CCOCC3)C(=O)Cc3ccc(F)cc3)n2)cc1 ZINC000085408635 569710325 /nfs/dbraw/zinc/71/03/25/569710325.db2.gz WSRBRMWGCNHSKX-UHFFFAOYSA-N 1 1 466.557 3.520 50 0 JHAAMO COc1cccc(OC)c1C(=O)Nc1cccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000096116519 569735418 /nfs/dbraw/zinc/73/54/18/569735418.db2.gz XKYVEHVTQFLYSE-PZJWPPBQSA-N 1 1 451.567 3.950 50 0 biogenic JHAAMO COc1ccc(C(=O)Nc2cccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2)cc1OC ZINC000096116498 569735444 /nfs/dbraw/zinc/73/54/44/569735444.db2.gz PVXLFPLLLHIIII-RBBKRZOGSA-N 1 1 451.567 3.950 50 0 biogenic JHAAMO Cc1ccccc1CS(=O)(=O)c1ncc(CN(CC[NH+](C)C)C(=O)NC(C)(C)C)n1CC(C)C ZINC000096211177 569738229 /nfs/dbraw/zinc/73/82/29/569738229.db2.gz CNSQJQCOMUONJZ-UHFFFAOYSA-N 1 1 491.702 3.693 50 0 JHAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)c4ccc5c(c4)OCO5)c2)N3)C1 ZINC000096602009 569742495 /nfs/dbraw/zinc/74/24/95/569742495.db2.gz WWZMSQCYTOEGPO-NRFANRHFSA-N 1 1 463.515 3.538 50 0 JHAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)c4ccc5c(c4)OCO5)c2)N3)C1 ZINC000096602009 569742496 /nfs/dbraw/zinc/74/24/96/569742496.db2.gz WWZMSQCYTOEGPO-NRFANRHFSA-N 1 1 463.515 3.538 50 0 JHAAMO C[NH+]1CCN(C(=O)[C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000036042298 569753875 /nfs/dbraw/zinc/75/38/75/569753875.db2.gz GFDINNABGIMJTP-NHCUHLMSSA-N 1 1 479.930 3.989 50 0 JHAAMO Cc1c(C(=O)OC(C)C)sc2nc(C[N@H+](C[C@H](O)COCc3ccccc3)C(C)C)[nH]c(=O)c12 ZINC000036206838 569757001 /nfs/dbraw/zinc/75/70/01/569757001.db2.gz ONJCZXCVUKKDND-IBGZPJMESA-N 1 1 487.622 3.646 50 0 JHAAMO Cc1c(C(=O)OC(C)C)sc2nc(C[N@@H+](C[C@H](O)COCc3ccccc3)C(C)C)[nH]c(=O)c12 ZINC000036206838 569757002 /nfs/dbraw/zinc/75/70/02/569757002.db2.gz ONJCZXCVUKKDND-IBGZPJMESA-N 1 1 487.622 3.646 50 0 JHAAMO COc1ccc(NC(=O)N2CC[NH+]([C@@H](C(=O)N3CCc4ccccc4C3)C3CCCC3)CC2)cc1 ZINC000036310849 569759435 /nfs/dbraw/zinc/75/94/35/569759435.db2.gz GUZJWIAIOHNUQN-AREMUKBSSA-N 1 1 476.621 3.988 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2cccn2C)C1 ZINC000036341934 569764932 /nfs/dbraw/zinc/76/49/32/569764932.db2.gz GDMVVNFTBZQECJ-VGSWGCGISA-N 1 1 456.974 3.631 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2cccn2C)C1 ZINC000036341934 569764933 /nfs/dbraw/zinc/76/49/33/569764933.db2.gz GDMVVNFTBZQECJ-VGSWGCGISA-N 1 1 456.974 3.631 50 0 JHAAMO COc1ccc(OC)c([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000036342390 569765752 /nfs/dbraw/zinc/76/57/52/569765752.db2.gz PSXSKZCTSUPRMV-QHCPKHFHSA-N 1 1 499.995 3.874 50 0 JHAAMO COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c(OC)c1 ZINC000036342490 569765813 /nfs/dbraw/zinc/76/58/13/569765813.db2.gz UQPVEIDODIMWTE-VWLOTQADSA-N 1 1 493.604 3.837 50 0 JHAAMO COc1ccc(OC)c([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000036342629 569765958 /nfs/dbraw/zinc/76/59/58/569765958.db2.gz UFGQJKITNAWKLZ-RUZDIDTESA-N 1 1 493.604 3.837 50 0 JHAAMO CC[C@H](C)NC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccco2)nc2ccccc21 ZINC000037383553 569785493 /nfs/dbraw/zinc/78/54/93/569785493.db2.gz DOMNAFWTBRYVKW-FQEVSTJZSA-N 1 1 465.598 3.723 50 0 JHAAMO O=c1occ(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c([O-])c1C[N@H+]1CCc2ccccc2C1 ZINC000101372641 569794782 /nfs/dbraw/zinc/79/47/82/569794782.db2.gz FCSUDBIIQDOZKN-UHFFFAOYSA-N 1 1 465.981 3.879 50 0 JHAAMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(NC[C@@H]3CC=CCC3)cc(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000039344536 569809402 /nfs/dbraw/zinc/80/94/02/569809402.db2.gz FKMZUGRADZPTIS-WOJBJXKFSA-N 1 1 476.687 3.603 50 0 JHAAMO CCN(CC)C(=O)[C@H]1CCC[N@H+]([C@@H]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)C1 ZINC000039413188 569809774 /nfs/dbraw/zinc/80/97/74/569809774.db2.gz VQGJWSVKQKWFJU-PKOBYXMFSA-N 1 1 464.006 3.530 50 0 JHAAMO COc1ccc2c(c1)O[C@@H](C)C[N@H+](CCC(=O)N1CCCN(Cc3ccccc3F)CC1)C2 ZINC000039500000 569810048 /nfs/dbraw/zinc/81/00/48/569810048.db2.gz TURWTNFFOPIXEX-FQEVSTJZSA-N 1 1 455.574 3.542 50 0 JHAAMO CCC1=C(C(=O)OC)[C@H](c2ccccc2F)N2C(CC(=O)N3CC[NH+](CC)CC3)=CSC2=N1 ZINC000102936650 569829217 /nfs/dbraw/zinc/82/92/17/569829217.db2.gz OHCPXFQLEVBYGQ-QFIPXVFZSA-N 1 1 472.586 3.518 50 0 JHAAMO O=C1[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1Cc1ccccc1 ZINC000103016849 569831876 /nfs/dbraw/zinc/83/18/76/569831876.db2.gz JXYUNDORNGMXEL-HNRABGRISA-N 1 1 477.564 3.708 50 0 JHAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000107174774 569856321 /nfs/dbraw/zinc/85/63/21/569856321.db2.gz WTKCPNVPSAMAJS-GKAYAJSDSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[S@](=O)CC(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000169355607 569868199 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ALDWYYHYHXRLON-UHFFFAOYSA-N 1 1 479.362 3.507 50 0 JHAAMO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2N2CCOCC2)cc1I ZINC000012784748 195127177 /nfs/dbraw/zinc/12/71/77/195127177.db2.gz ALDWYYHYHXRLON-UHFFFAOYSA-N 1 1 479.362 3.507 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc21 ZINC000020804944 195228356 /nfs/dbraw/zinc/22/83/56/195228356.db2.gz SJMFPJBZCVWTEK-LJQANCHMSA-N 1 1 478.593 3.787 50 0 JHAAMO COC(=O)c1c(OC[C@H]2CCCCO2)cc(=O)n2c1CC[N@H+](Cc1ccccc1C(F)(F)F)CC2 ZINC000020778023 195224015 /nfs/dbraw/zinc/22/40/15/195224015.db2.gz LBGJSUPOYNDCFG-GOSISDBHSA-N 1 1 494.510 3.660 50 0 JHAAMO COC(=O)c1c(OC[C@H]2CCCCO2)cc(=O)n2c1CC[N@@H+](Cc1ccccc1C(F)(F)F)CC2 ZINC000020778023 195224018 /nfs/dbraw/zinc/22/40/18/195224018.db2.gz LBGJSUPOYNDCFG-GOSISDBHSA-N 1 1 494.510 3.660 50 0 JHAAMO O=C(Cc1ccc(N2CCNC2=O)cc1)NCC[N@H+]1Cc2ccccc2O[C@@H](c2ccsc2)C1 ZINC000020995492 195264295 /nfs/dbraw/zinc/26/42/95/195264295.db2.gz UKSXXEGFLRSXIQ-XMMPIXPASA-N 1 1 476.602 3.572 50 0 JHAAMO O=C(Cc1ccc(N2CCNC2=O)cc1)NCC[N@@H+]1Cc2ccccc2O[C@@H](c2ccsc2)C1 ZINC000020995492 195264298 /nfs/dbraw/zinc/26/42/98/195264298.db2.gz UKSXXEGFLRSXIQ-XMMPIXPASA-N 1 1 476.602 3.572 50 0 JHAAMO COC(=O)c1c(OCCc2ccccn2)cc(=O)n2c1CC[N@@H+](Cc1cc(C)c(C)cc1C)CC2 ZINC000020997487 195264932 /nfs/dbraw/zinc/26/49/32/195264932.db2.gz NQVPAUPGOQTRHK-UHFFFAOYSA-N 1 1 475.589 3.635 50 0 JHAAMO Cc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000021060560 195273506 /nfs/dbraw/zinc/27/35/06/195273506.db2.gz MVWAFFWEJWKTED-ROUUACIJSA-N 1 1 477.602 3.553 50 0 JHAAMO CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCCC[N@@H+](C)C4CCCCC4)CC3)ccc21 ZINC000021053916 195273670 /nfs/dbraw/zinc/27/36/70/195273670.db2.gz WRXLOTKZLPXRMD-UHFFFAOYSA-N 1 1 488.698 3.833 50 0 JHAAMO C[N@@H+](CCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1)C1CCCCC1 ZINC000021527881 195306283 /nfs/dbraw/zinc/30/62/83/195306283.db2.gz ZGTGKNXGXFQUEV-UHFFFAOYSA-N 1 1 457.578 3.692 50 0 JHAAMO O=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021898650 195328956 /nfs/dbraw/zinc/32/89/56/195328956.db2.gz GBBLSMNUHLSTJJ-UHFFFAOYSA-N 1 1 475.614 3.675 50 0 JHAAMO C[N@@H+](C[C@@H]1CCCO1)C1CCN(C(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC000021917468 195332610 /nfs/dbraw/zinc/33/26/10/195332610.db2.gz GYRSVJPYERSILE-NRFANRHFSA-N 1 1 469.655 3.523 50 0 JHAAMO CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCC[N@@H+](C)C4CCCCC4)C3)ccc21 ZINC000021938123 195337819 /nfs/dbraw/zinc/33/78/19/195337819.db2.gz DOVYWMXOUPYJAY-QFIPXVFZSA-N 1 1 488.698 3.833 50 0 JHAAMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1C ZINC000058169183 195370521 /nfs/dbraw/zinc/37/05/21/195370521.db2.gz CAMNNWYLONNASP-DEOSSOPVSA-N 1 1 483.678 3.733 50 0 JHAAMO CCOC(=O)N1CC[NH+](C[C@H](O)[C@](C)(O)CC[C@H]2[C@](C)(O)CC[C@H]3C(C)(C)CCC[C@]23C)CC1 ZINC000059101550 195387561 /nfs/dbraw/zinc/38/75/61/195387561.db2.gz XBBMIXBNQRCQLP-DAQPSXTGSA-N 1 1 482.706 3.646 50 0 biogenic JHAAMO CC(=O)N1CCCSc2ccc(S(=O)(=O)NC[C@@H]3CC[N@@H+](Cc4ccc(C)cc4)C3)cc21 ZINC000064952292 519532499 /nfs/dbraw/zinc/53/24/99/519532499.db2.gz VPSVSRNOZYMTLJ-NRFANRHFSA-N 1 1 473.664 3.644 50 0 JHAAMO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)C1 ZINC000012434670 519678132 /nfs/dbraw/zinc/67/81/32/519678132.db2.gz MGXMZSDQJMTYCI-JOCHJYFZSA-N 1 1 450.627 3.975 50 0 JHAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)C1 ZINC000012434670 519678135 /nfs/dbraw/zinc/67/81/35/519678135.db2.gz MGXMZSDQJMTYCI-JOCHJYFZSA-N 1 1 450.627 3.975 50 0 JHAAMO CCC[C@@H](O)C[N@H+](CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309564 520797331 /nfs/dbraw/zinc/79/73/31/520797331.db2.gz NVTRQGLCIFMDQT-KNQAVFIVSA-N 1 1 464.603 3.501 50 0 JHAAMO CCC[C@@H](O)C[N@@H+](CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309564 520797338 /nfs/dbraw/zinc/79/73/38/520797338.db2.gz NVTRQGLCIFMDQT-KNQAVFIVSA-N 1 1 464.603 3.501 50 0 JHAAMO CCC[C@@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309586 520797405 /nfs/dbraw/zinc/79/74/05/520797405.db2.gz LEQMHXGNBDVRDC-OFNKIYASSA-N 1 1 478.630 3.892 50 0 JHAAMO CCC[C@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309584 521182342 /nfs/dbraw/zinc/18/23/42/521182342.db2.gz LEQMHXGNBDVRDC-REWPJTCUSA-N 1 1 478.630 3.892 50 0 JHAAMO COCCn1c(C)cc(O)c([C@H](c2ccccc2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000008611710 522065880 /nfs/dbraw/zinc/06/58/80/522065880.db2.gz UVIBXARDBGFWSF-VWLOTQADSA-N 1 1 451.542 3.559 50 0 JHAAMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1OC(F)F ZINC000016050436 522356010 /nfs/dbraw/zinc/35/60/10/522356010.db2.gz BBRPODFVGRPIHE-INIZCTEOSA-N 1 1 497.564 3.540 50 0 JHAAMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1OC(F)F ZINC000016050436 522356022 /nfs/dbraw/zinc/35/60/22/522356022.db2.gz BBRPODFVGRPIHE-INIZCTEOSA-N 1 1 497.564 3.540 50 0 JHAAMO CN(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016187575 522437691 /nfs/dbraw/zinc/43/76/91/522437691.db2.gz LCBBXPVRQVOGRU-UHFFFAOYSA-N 1 1 498.048 3.894 50 0 JHAAMO COCc1c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cnn1-c1nccc(-c2cccs2)n1 ZINC000014984979 522897863 /nfs/dbraw/zinc/89/78/63/522897863.db2.gz BODLLJIMHFFOQW-HXUWFJFHSA-N 1 1 488.617 3.932 50 0 JHAAMO CCn1c2c(C(=O)Nc3ccc(C)cc3C)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000064967810 523253927 /nfs/dbraw/zinc/25/39/27/523253927.db2.gz ZVJMCHOWLNLPAE-UHFFFAOYSA-N 1 1 485.588 3.952 50 0 JHAAMO CCn1c2c(C(=O)Nc3ccc(C)cc3C)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000064967810 523253928 /nfs/dbraw/zinc/25/39/28/523253928.db2.gz ZVJMCHOWLNLPAE-UHFFFAOYSA-N 1 1 485.588 3.952 50 0 JHAAMO CCn1c2c(C(=O)Nc3cccc(Cl)c3)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000064967788 523254669 /nfs/dbraw/zinc/25/46/69/523254669.db2.gz HLIACDHPZYZLCO-UHFFFAOYSA-N 1 1 491.979 3.989 50 0 JHAAMO CCn1c2c(C(=O)Nc3cccc(Cl)c3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000064967788 523254679 /nfs/dbraw/zinc/25/46/79/523254679.db2.gz HLIACDHPZYZLCO-UHFFFAOYSA-N 1 1 491.979 3.989 50 0 JHAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4ccc(F)cc4F)CC3)n2)cc1OC ZINC000021880538 523287309 /nfs/dbraw/zinc/28/73/09/523287309.db2.gz WIMKYQBZJOKDHY-UHFFFAOYSA-N 1 1 458.465 3.883 50 0 JHAAMO COCCC[N@H+]1CCc2nc(SCc3nc(-c4ccc(OC)cc4)oc3C)[nH]c(=O)c2C1 ZINC000033287173 523305088 /nfs/dbraw/zinc/30/50/88/523305088.db2.gz XHDDQPOKZGKJBT-UHFFFAOYSA-N 1 1 456.568 3.841 50 0 JHAAMO COc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1S(=O)(=O)N1CCCC1 ZINC000014245941 523706505 /nfs/dbraw/zinc/70/65/05/523706505.db2.gz TXELBBRHZZMFPU-NRFANRHFSA-N 1 1 492.041 3.700 50 0 JHAAMO COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CC[N@H+](Cc2cc4c(cc2Cl)OCO4)C3)cc1 ZINC000014741600 523987596 /nfs/dbraw/zinc/98/75/96/523987596.db2.gz CHQODQZHWFLAQB-UHFFFAOYSA-N 1 1 496.995 3.777 50 0 JHAAMO COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CC[N@@H+](Cc2cc4c(cc2Cl)OCO4)C3)cc1 ZINC000014741600 523987601 /nfs/dbraw/zinc/98/76/01/523987601.db2.gz CHQODQZHWFLAQB-UHFFFAOYSA-N 1 1 496.995 3.777 50 0 JHAAMO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@@H+](Cc3ccncc3)C2)cc1 ZINC000014743732 524064888 /nfs/dbraw/zinc/06/48/88/524064888.db2.gz PGFFFUOXZDLASR-FCHUYYIVSA-N 1 1 476.552 3.623 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-c2nc(CCN(C)C(=O)c3ccc(F)cc3)no2)cc1 ZINC000033273530 524111051 /nfs/dbraw/zinc/11/10/51/524111051.db2.gz RTDYHNDNESDBNW-LJQANCHMSA-N 1 1 493.583 3.795 50 0 JHAAMO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000022801798 524152977 /nfs/dbraw/zinc/15/29/77/524152977.db2.gz STPMJODYVSYLJI-RUZDIDTESA-N 1 1 450.627 3.906 50 0 JHAAMO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000022801798 524152982 /nfs/dbraw/zinc/15/29/82/524152982.db2.gz STPMJODYVSYLJI-RUZDIDTESA-N 1 1 450.627 3.906 50 0 JHAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@@H+](C)CC3)N(Cc3cccc(OC)c3OC)C2)cc1 ZINC000014994823 525108389 /nfs/dbraw/zinc/10/83/89/525108389.db2.gz AOQJLBKBACIKIO-RPWUZVMVSA-N 1 1 499.677 3.612 50 0 JHAAMO Cc1cc(O)c([C@H](c2ccncc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccco1 ZINC000022698362 525326234 /nfs/dbraw/zinc/32/62/34/525326234.db2.gz CUWQCEUTJRPQHB-SANMLTNESA-N 1 1 474.536 3.949 50 0 JHAAMO Cc1c(C[N@@H+]2CC(=O)N(CC(C)C)C[C@@H](OCc3cccc(F)c3)C2)c(=O)n(-c2ccccc2)n1C ZINC000014740409 525701026 /nfs/dbraw/zinc/70/10/26/525701026.db2.gz HOJOVWIZTFOLAF-VWLOTQADSA-N 1 1 494.611 3.509 50 0 JHAAMO Cc1c(C[N@H+]2CC(=O)N(CC(C)C)C[C@@H](OCc3cccc(F)c3)C2)c(=O)n(-c2ccccc2)n1C ZINC000014740409 525701036 /nfs/dbraw/zinc/70/10/36/525701036.db2.gz HOJOVWIZTFOLAF-VWLOTQADSA-N 1 1 494.611 3.509 50 0 JHAAMO COc1cccc(-c2cn3c4ccc(C(=O)NCCC[NH+]5CCOCC5)cc4sc3n2)c1 ZINC000020490345 525716614 /nfs/dbraw/zinc/71/66/14/525716614.db2.gz DAGRBFANHPHITM-UHFFFAOYSA-N 1 1 450.564 3.677 50 0 JHAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CSc1nnc2c3ccccc3n(C)c2n1 ZINC000012462574 526194520 /nfs/dbraw/zinc/19/45/20/526194520.db2.gz DFYVCPBYRSUYRV-RXVVDRJESA-N 1 1 458.591 3.752 50 0 JHAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146990 526285817 /nfs/dbraw/zinc/28/58/17/526285817.db2.gz HSBOTZBDTAASGI-GMAHTHKFSA-N 1 1 482.508 3.720 50 0 JHAAMO O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccccc2)C1 ZINC000014748541 526396235 /nfs/dbraw/zinc/39/62/35/526396235.db2.gz ACAYFFBYXQMQTA-WIOPSUGQSA-N 1 1 458.606 3.774 50 0 JHAAMO O=C(NCCc1cnc[nH]1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](Cc2ccccc2)C1 ZINC000014748541 526396240 /nfs/dbraw/zinc/39/62/40/526396240.db2.gz ACAYFFBYXQMQTA-WIOPSUGQSA-N 1 1 458.606 3.774 50 0 JHAAMO O=C(NCCc1cnc[nH]1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccccc2)C1 ZINC000014748541 526396245 /nfs/dbraw/zinc/39/62/45/526396245.db2.gz ACAYFFBYXQMQTA-WIOPSUGQSA-N 1 1 458.606 3.774 50 0 JHAAMO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020030444 526885842 /nfs/dbraw/zinc/88/58/42/526885842.db2.gz XJZDXYNWCMYWEF-UHFFFAOYSA-N 1 1 484.021 3.552 50 0 JHAAMO O=C(Nc1cccc(Cl)c1)N1CCO[C@@H](C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000034692120 527340576 /nfs/dbraw/zinc/34/05/76/527340576.db2.gz GZPXORHLGXUSHF-QFIPXVFZSA-N 1 1 474.964 3.560 50 0 JHAAMO O=C(Nc1cccc(Cl)c1)N1CCO[C@@H](C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000034692120 527340583 /nfs/dbraw/zinc/34/05/83/527340583.db2.gz GZPXORHLGXUSHF-QFIPXVFZSA-N 1 1 474.964 3.560 50 0 JHAAMO Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)CC[N@@H+]2Cc3ccccc3O[C@H](c3ccccc3)C2)C1 ZINC000020453713 527424701 /nfs/dbraw/zinc/42/47/01/527424701.db2.gz TZDWTPRZPSGLDV-ZCYQVOJMSA-N 1 1 472.589 3.867 50 0 JHAAMO Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@@H]([N@@H+]1CCOc3ccc(Cl)cc3C1)C2 ZINC000014754459 527546189 /nfs/dbraw/zinc/54/61/89/527546189.db2.gz OVOZTYSARRFHRI-QGZVFWFLSA-N 1 1 456.999 3.817 50 0 JHAAMO Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@@H]([N@H+]1CCOc3ccc(Cl)cc3C1)C2 ZINC000014754459 527546195 /nfs/dbraw/zinc/54/61/95/527546195.db2.gz OVOZTYSARRFHRI-QGZVFWFLSA-N 1 1 456.999 3.817 50 0 JHAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000036304848 527549038 /nfs/dbraw/zinc/54/90/38/527549038.db2.gz QGPPVVJYPAKKIB-VWLOTQADSA-N 1 1 476.621 3.939 50 0 JHAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000036304848 527549040 /nfs/dbraw/zinc/54/90/40/527549040.db2.gz QGPPVVJYPAKKIB-VWLOTQADSA-N 1 1 476.621 3.939 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000008830321 554720105 /nfs/dbraw/zinc/72/01/05/554720105.db2.gz UGWUOOMZCXEUBG-UHFFFAOYSA-N 1 1 463.603 3.860 50 0 JHAAMO CCCC[N@@H+](CCNC(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)Cc1ccco1 ZINC000009211117 554980738 /nfs/dbraw/zinc/98/07/38/554980738.db2.gz UHWRADIRDBKSEV-NRFANRHFSA-N 1 1 493.656 3.781 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccc(-c3nc(CS(=O)(=O)c4ccc(C)cc4)c(C)o3)cc2)CC1 ZINC000009212149 554982800 /nfs/dbraw/zinc/98/28/00/554982800.db2.gz ULEMDWRHPKVQKE-UHFFFAOYSA-N 1 1 467.591 3.710 50 0 JHAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2cc3ccccc3o2)CC1 ZINC000009339244 555107675 /nfs/dbraw/zinc/10/76/75/555107675.db2.gz SATBKIVMTFJYQQ-UHFFFAOYSA-N 1 1 482.606 3.612 50 0 JHAAMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)N1CCCC1 ZINC000009712492 555437091 /nfs/dbraw/zinc/43/70/91/555437091.db2.gz MJEQWSRLFSHZOL-GOSISDBHSA-N 1 1 463.625 3.707 50 0 JHAAMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)N1CCCC1 ZINC000009712492 555437095 /nfs/dbraw/zinc/43/70/95/555437095.db2.gz MJEQWSRLFSHZOL-GOSISDBHSA-N 1 1 463.625 3.707 50 0 JHAAMO c1csc(-c2csc3nc(CN4CCOCC4)nc(N4CC[NH+](Cc5ccncc5)CC4)c23)c1 ZINC000009782115 555502746 /nfs/dbraw/zinc/50/27/46/555502746.db2.gz YVFYGUBONJZLBM-UHFFFAOYSA-N 1 1 492.674 3.969 50 0 JHAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1ccc(-c3ccc(Cl)cc3)o1)CC2)c1cccnc1 ZINC000019837626 555507750 /nfs/dbraw/zinc/50/77/50/555507750.db2.gz AGZLHRMCAUWNAI-UHFFFAOYSA-N 1 1 476.968 3.617 50 0 JHAAMO CC[C@@H](c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)o1)[NH+](C)C ZINC000009980902 555581351 /nfs/dbraw/zinc/58/13/51/555581351.db2.gz FRUAUEKJIPKIBE-HNNXBMFYSA-N 1 1 473.521 3.669 50 0 JHAAMO CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000013691912 555586509 /nfs/dbraw/zinc/58/65/09/555586509.db2.gz NXEQFQHFLOHVAE-XTGAJNFRSA-N 1 1 494.526 3.515 50 0 JHAAMO CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2cc3c(cc2s1)OCO3 ZINC000010066898 555614122 /nfs/dbraw/zinc/61/41/22/555614122.db2.gz SGGATHDTRHHAGX-UHFFFAOYSA-N 1 1 489.619 3.564 50 0 JHAAMO Cn1ccnc1SCCNC(=O)CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000020167020 555677735 /nfs/dbraw/zinc/67/77/35/555677735.db2.gz MUXVANUFWOTFCQ-QFIPXVFZSA-N 1 1 454.571 3.794 50 0 JHAAMO CCOC(=O)C1=C(C[N@H+](Cc2ccco2)C2CCCC2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020284017 555753517 /nfs/dbraw/zinc/75/35/17/555753517.db2.gz ISDIKRADOJLYJB-HSZRJFAPSA-N 1 1 483.565 3.913 50 0 JHAAMO CCOC(=O)C1=C(C[N@@H+](Cc2ccco2)C2CCCC2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020284017 555753520 /nfs/dbraw/zinc/75/35/20/555753520.db2.gz ISDIKRADOJLYJB-HSZRJFAPSA-N 1 1 483.565 3.913 50 0 JHAAMO Cn1c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc2c1nc1ccccn1c2=O ZINC000020312286 555769888 /nfs/dbraw/zinc/76/98/88/555769888.db2.gz FOVITOFOTYGGHV-UHFFFAOYSA-N 1 1 477.568 3.734 50 0 JHAAMO CCOc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](CC)C3)cc(OCC)c1OCC ZINC000011667745 555798543 /nfs/dbraw/zinc/79/85/43/555798543.db2.gz ZXNXKBYKOFPMMU-UHFFFAOYSA-N 1 1 461.584 3.673 50 0 JHAAMO CCOc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](CC)C3)cc(OCC)c1OCC ZINC000011667745 555798547 /nfs/dbraw/zinc/79/85/47/555798547.db2.gz ZXNXKBYKOFPMMU-UHFFFAOYSA-N 1 1 461.584 3.673 50 0 JHAAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C[NH2+]Cc2ccccc2OC)c1 ZINC000014361519 555800004 /nfs/dbraw/zinc/80/00/04/555800004.db2.gz KXTPUWMEWSBUBV-UHFFFAOYSA-N 1 1 483.590 3.647 50 0 JHAAMO Cc1c2c(nn1-c1ccccc1)c(=O)n([C@H](C)C(=O)NCCC[N@@H+](C)C1CCCCC1)nc2C ZINC000020563276 555815078 /nfs/dbraw/zinc/81/50/78/555815078.db2.gz ZGYUQBJXXQKMHA-HXUWFJFHSA-N 1 1 464.614 3.531 50 0 JHAAMO CSc1nc2nc(C)c(CCC(=O)Nc3nc(C[NH+]4C[C@@H](C)C[C@H](C)C4)cs3)c(C)n2n1 ZINC000014529400 555816505 /nfs/dbraw/zinc/81/65/05/555816505.db2.gz KOSUZZMMLKKSAO-KBPBESRZSA-N 1 1 473.672 3.969 50 0 JHAAMO Cc1[nH+]ccn1CCC(=O)N1CCc2c(cc(-c3ccccc3F)c(=O)n2Cc2ccncc2)C1 ZINC000014539550 555829302 /nfs/dbraw/zinc/82/93/02/555829302.db2.gz ZQPYVYYIFJQTFH-UHFFFAOYSA-N 1 1 471.536 3.578 50 0 JHAAMO COc1cccc(Cn2nc(C(=O)N3CCC[C@H](O)C3)c3c2CC[N@H+](Cc2ccc(C)c(C)c2)C3)c1 ZINC000014750350 555839524 /nfs/dbraw/zinc/83/95/24/555839524.db2.gz OLNVSYZSZXRLCF-DEOSSOPVSA-N 1 1 488.632 3.712 50 0 JHAAMO COc1cccc(Cn2nc(C(=O)N3CCC[C@H](O)C3)c3c2CC[N@@H+](Cc2ccc(C)c(C)c2)C3)c1 ZINC000014750350 555839528 /nfs/dbraw/zinc/83/95/28/555839528.db2.gz OLNVSYZSZXRLCF-DEOSSOPVSA-N 1 1 488.632 3.712 50 0 JHAAMO COC(=O)c1c(OCCc2cccs2)cc(=O)n2c1CC[N@@H+](Cc1ccc3cccnc3c1)CC2 ZINC000020775281 555847765 /nfs/dbraw/zinc/84/77/65/555847765.db2.gz FSLIHKZTJSEFRF-UHFFFAOYSA-N 1 1 489.597 3.924 50 0 JHAAMO COc1ccccc1CNC(=O)c1c(OC)cc(=O)n2c1CC[N@H+]([C@@H](C)CCc1ccccc1)CC2 ZINC000015005227 555849886 /nfs/dbraw/zinc/84/98/86/555849886.db2.gz OGXCPMLBECYYJW-NRFANRHFSA-N 1 1 489.616 3.675 50 0 JHAAMO COc1cccc(CNC(=O)c2c(OC)cc(=O)n3c2CC[N@@H+](CC2=CC[C@H]4C[C@@H]2C4(C)C)CC3)c1 ZINC000012037541 555890680 /nfs/dbraw/zinc/89/06/80/555890680.db2.gz HBZZNXRROSHTQW-GMAHTHKFSA-N 1 1 491.632 3.646 50 0 JHAAMO CCOC(=O)N1CC[NH+](C[C@H](O)[C@@](C)(O)CC[C@H]2[C@](C)(O)CC[C@@H]3C(C)(C)CCC[C@]23C)CC1 ZINC000015415162 555906990 /nfs/dbraw/zinc/90/69/90/555906990.db2.gz XBBMIXBNQRCQLP-CKVOYXCRSA-N 1 1 482.706 3.646 50 0 biogenic JHAAMO COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccc(OC)cc2)CC3)o1 ZINC000012190173 555937159 /nfs/dbraw/zinc/93/71/59/555937159.db2.gz SDWJKRFMLLRKJX-JOCHJYFZSA-N 1 1 481.597 3.602 50 0 JHAAMO O=C1NC2(CCCCCC2)C(=O)N1CN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000023257171 556035968 /nfs/dbraw/zinc/03/59/68/556035968.db2.gz RKEMUEJIBFAPHO-UHFFFAOYSA-N 1 1 452.521 3.815 50 0 JHAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012557132 556044635 /nfs/dbraw/zinc/04/46/35/556044635.db2.gz FAQZFLNLCOMHCJ-QFIPXVFZSA-N 1 1 453.539 3.631 50 0 JHAAMO C[N@H+](CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)Cc1ccccc1N1CCOCC1 ZINC000012558387 556047880 /nfs/dbraw/zinc/04/78/80/556047880.db2.gz SEMUDJCLUZPAMO-OAQYLSRUSA-N 1 1 464.635 3.971 50 0 JHAAMO C[N@@H+](CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)Cc1ccccc1N1CCOCC1 ZINC000012558387 556047885 /nfs/dbraw/zinc/04/78/85/556047885.db2.gz SEMUDJCLUZPAMO-OAQYLSRUSA-N 1 1 464.635 3.971 50 0 JHAAMO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c2cccs2)cc1 ZINC000012567418 556066540 /nfs/dbraw/zinc/06/65/40/556066540.db2.gz AJMAYYDDSICAJV-VWLOTQADSA-N 1 1 499.658 3.704 50 0 JHAAMO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c2cccs2)cc1 ZINC000012567417 556066598 /nfs/dbraw/zinc/06/65/98/556066598.db2.gz AJMAYYDDSICAJV-RUZDIDTESA-N 1 1 499.658 3.704 50 0 JHAAMO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)ccc1C ZINC000012586552 556083594 /nfs/dbraw/zinc/08/35/94/556083594.db2.gz IOROIECUOOAJDH-UHFFFAOYSA-N 1 1 457.640 3.919 50 0 JHAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NC2CCCCC2)cc(OC)c1OC ZINC000016032815 556117054 /nfs/dbraw/zinc/11/70/54/556117054.db2.gz UCELZEBVLHNMIP-UGIARPQZSA-N 1 1 460.615 3.829 50 0 biogenic JHAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NC2CCCCC2)cc(OC)c1OC ZINC000016032815 556117057 /nfs/dbraw/zinc/11/70/57/556117057.db2.gz UCELZEBVLHNMIP-UGIARPQZSA-N 1 1 460.615 3.829 50 0 biogenic JHAAMO O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000016033648 556117645 /nfs/dbraw/zinc/11/76/45/556117645.db2.gz NADAMMMMTDIMII-BOCITWAFSA-N 1 1 457.917 3.924 50 0 JHAAMO O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016033648 556117647 /nfs/dbraw/zinc/11/76/47/556117647.db2.gz NADAMMMMTDIMII-BOCITWAFSA-N 1 1 457.917 3.924 50 0 JHAAMO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)C(C)(C)C)c1 ZINC000016038876 556120959 /nfs/dbraw/zinc/12/09/59/556120959.db2.gz QVXXJVBSOVGTHV-AFXVXQJMSA-N 1 1 460.530 3.834 50 0 JHAAMO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)C(C)(C)C)c1 ZINC000016038876 556120961 /nfs/dbraw/zinc/12/09/61/556120961.db2.gz QVXXJVBSOVGTHV-AFXVXQJMSA-N 1 1 460.530 3.834 50 0 JHAAMO CC[N@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1 ZINC000016956860 556187660 /nfs/dbraw/zinc/18/76/60/556187660.db2.gz MEKLBGGNMFECRK-OFVILXPXSA-N 1 1 466.969 3.554 50 0 JHAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)n2)cc1 ZINC000017042677 556209043 /nfs/dbraw/zinc/20/90/43/556209043.db2.gz GICLDOOLIRTJAK-UHFFFAOYSA-N 1 1 451.596 3.965 50 0 JHAAMO CCc1nnc(NC(=O)CCC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)s1 ZINC000017198308 556239279 /nfs/dbraw/zinc/23/92/79/556239279.db2.gz RFRLAGYVGFLVIM-UHFFFAOYSA-N 1 1 461.591 3.733 50 0 JHAAMO CCOC(=O)C1CC[NH+]([C@@H](c2ccccc2Cl)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000017296972 556252114 /nfs/dbraw/zinc/25/21/14/556252114.db2.gz GDOZVWBVLSSGFY-QFIPXVFZSA-N 1 1 462.974 3.527 50 0 JHAAMO C[N@@H+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)[C@@H](c2ccccc2)C1 ZINC000030029586 556362945 /nfs/dbraw/zinc/36/29/45/556362945.db2.gz ABUXTJZNPWOOKJ-AREMUKBSSA-N 1 1 477.630 3.756 50 0 JHAAMO C[N@H+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)[C@@H](c2ccccc2)C1 ZINC000030029586 556362948 /nfs/dbraw/zinc/36/29/48/556362948.db2.gz ABUXTJZNPWOOKJ-AREMUKBSSA-N 1 1 477.630 3.756 50 0 JHAAMO C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000019798508 556375851 /nfs/dbraw/zinc/37/58/51/556375851.db2.gz VIAKTKMXVRNDPJ-QFIPXVFZSA-N 1 1 493.629 3.978 50 0 JHAAMO COc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1OC ZINC000030955689 556389974 /nfs/dbraw/zinc/38/99/74/556389974.db2.gz ILIBADMQPWTLMA-QGZVFWFLSA-N 1 1 450.539 3.843 50 0 JHAAMO CCCn1c(C[N@H+](Cc2ccc(OC)cc2)C2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000032759576 556487711 /nfs/dbraw/zinc/48/77/11/556487711.db2.gz AVPOUZBWECELQD-UHFFFAOYSA-N 1 1 456.612 3.870 50 0 JHAAMO CCCn1c(C[N@@H+](Cc2ccc(OC)cc2)C2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000032759576 556487716 /nfs/dbraw/zinc/48/77/16/556487716.db2.gz AVPOUZBWECELQD-UHFFFAOYSA-N 1 1 456.612 3.870 50 0 JHAAMO C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000032913227 556537796 /nfs/dbraw/zinc/53/77/96/556537796.db2.gz CFAJZEHTRRZESK-QFIPXVFZSA-N 1 1 456.590 3.761 50 0 JHAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCN(c2nc3ncccc3n3cccc23)C1 ZINC000033019099 569618516 /nfs/dbraw/zinc/61/85/16/569618516.db2.gz AYPAADDGJYDYMO-HSZRJFAPSA-N 1 1 468.605 3.664 50 0 JHAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)[nH+]1 ZINC000033318488 569623323 /nfs/dbraw/zinc/62/33/23/569623323.db2.gz FXAKAMFGDPDWJO-UHFFFAOYSA-N 1 1 467.551 3.701 50 0 JHAAMO CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)[nH+]c(C)n1 ZINC000033324518 569623602 /nfs/dbraw/zinc/62/36/02/569623602.db2.gz ARYPLFYTPRBLKT-UHFFFAOYSA-N 1 1 469.567 3.947 50 0 JHAAMO CC[NH+]1CCN(C(=O)CN(C)c2nn3c(nc(-c4cccc(C)c4)c3NC(C)(C)C)s2)CC1 ZINC000064703685 569624420 /nfs/dbraw/zinc/62/44/20/569624420.db2.gz XCPNNKJZBKSXIR-UHFFFAOYSA-N 1 1 469.659 3.577 50 0 JHAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034786977 569659528 /nfs/dbraw/zinc/65/95/28/569659528.db2.gz JMICBNYTBGTKTP-AREMUKBSSA-N 1 1 459.615 3.989 50 0 JHAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034786977 569659529 /nfs/dbraw/zinc/65/95/29/569659529.db2.gz JMICBNYTBGTKTP-AREMUKBSSA-N 1 1 459.615 3.989 50 0 JHAAMO CC(C)(C)C(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000034830447 569663874 /nfs/dbraw/zinc/66/38/74/569663874.db2.gz PVMHVMUUFNLLIC-HSZRJFAPSA-N 1 1 457.615 3.942 50 0 JHAAMO CCCN(CC(=O)Nc1nc(CC(=O)NCCC[N@H+]2CCCC[C@H]2C)cs1)C(=O)c1ccccc1 ZINC000034868719 569668143 /nfs/dbraw/zinc/66/81/43/569668143.db2.gz HFSLQEJOTPLQDD-HXUWFJFHSA-N 1 1 499.681 3.557 50 0 JHAAMO CC[NH+]1CCN(c2ccc(NC(=O)C3CCC3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000034919639 569672106 /nfs/dbraw/zinc/67/21/06/569672106.db2.gz SHIDCMJCMVNIER-DEOSSOPVSA-N 1 1 496.677 3.923 50 0 JHAAMO CCOC(=O)c1cnn(-c2ccc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc2)c1C(F)(F)F ZINC000065565154 569676007 /nfs/dbraw/zinc/67/60/07/569676007.db2.gz WDJYENBPYOEWCR-KRWDZBQOSA-N 1 1 464.444 3.694 50 0 JHAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067689577 569689673 /nfs/dbraw/zinc/68/96/73/569689673.db2.gz SNWKCKFRCPKVHF-SANMLTNESA-N 1 1 493.604 3.830 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000035423378 569692984 /nfs/dbraw/zinc/69/29/84/569692984.db2.gz IMJLVLZSLBIHTR-LJQANCHMSA-N 1 1 461.566 3.675 50 0 JHAAMO O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000070004150 569694511 /nfs/dbraw/zinc/69/45/11/569694511.db2.gz FLBHIMGHEMTZNL-JOCHJYFZSA-N 1 1 465.985 3.699 50 0 JHAAMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)CC2)cc1 ZINC000070036484 569695020 /nfs/dbraw/zinc/69/50/20/569695020.db2.gz MRNHQKSZWLHNOH-JOCHJYFZSA-N 1 1 470.013 3.935 50 0 JHAAMO COc1ccc2cc(C(=O)N3CCC(CC(=O)NCCC[N@H+]4CCCC[C@H]4C)CC3)[nH]c2c1 ZINC000035454093 569697410 /nfs/dbraw/zinc/69/74/10/569697410.db2.gz UWZVFKKZMPQOMG-LJQANCHMSA-N 1 1 454.615 3.800 50 0 JHAAMO CC(C)[C@@H](C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000084706017 569709545 /nfs/dbraw/zinc/70/95/45/569709545.db2.gz VPJIJBSIWRAXQR-UEXGIBASSA-N 1 1 451.011 3.540 50 0 JHAAMO CC(C)[C@@H](C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000084706017 569709546 /nfs/dbraw/zinc/70/95/46/569709546.db2.gz VPJIJBSIWRAXQR-UEXGIBASSA-N 1 1 451.011 3.540 50 0 JHAAMO COc1ccc(COC[C@H](O)C[NH+]2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1OC ZINC000084667953 569709579 /nfs/dbraw/zinc/70/95/79/569709579.db2.gz VFVVBZGRMUSNBO-AZUAARDMSA-N 1 1 471.623 3.570 50 0 JHAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NCc2ccccc2)cc(OC)c1OC ZINC000035828024 569712629 /nfs/dbraw/zinc/71/26/29/569712629.db2.gz SGGYYSCWAPCMGF-UDZXTKBFSA-N 1 1 468.594 3.697 50 0 biogenic JHAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NCc2ccccc2)cc(OC)c1OC ZINC000035828024 569712630 /nfs/dbraw/zinc/71/26/30/569712630.db2.gz SGGYYSCWAPCMGF-UDZXTKBFSA-N 1 1 468.594 3.697 50 0 biogenic JHAAMO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(=O)C(C)(C)C)[N@H+]1C=Cc3ccccc3[C@H]21 ZINC000035828496 569712764 /nfs/dbraw/zinc/71/27/64/569712764.db2.gz KRFDNMSIZGUOFU-CIAFKFPVSA-N 1 1 458.514 3.604 50 0 JHAAMO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(=O)C(C)(C)C)[N@@H+]1C=Cc3ccccc3[C@H]21 ZINC000035828496 569712765 /nfs/dbraw/zinc/71/27/65/569712765.db2.gz KRFDNMSIZGUOFU-CIAFKFPVSA-N 1 1 458.514 3.604 50 0 JHAAMO Cc1nn(CC(=O)Nc2ccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)c(C)c1Cl ZINC000085878631 569716321 /nfs/dbraw/zinc/71/63/21/569716321.db2.gz OSHFYXCQECDYFD-PZJWPPBQSA-N 1 1 458.006 3.786 50 0 biogenic JHAAMO COc1ccccc1CCNC(=O)c1cccc(C[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000035852633 569717009 /nfs/dbraw/zinc/71/70/09/569717009.db2.gz WIORVVRUXNRXQD-UHFFFAOYSA-N 1 1 459.590 3.999 50 0 JHAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@@H]1c1cc(OC)cc(OC)c1 ZINC000035991017 569744226 /nfs/dbraw/zinc/74/42/26/569744226.db2.gz XHVHCQMJAMZYAI-XMMPIXPASA-N 1 1 467.566 3.739 50 0 JHAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@@H]1c1cc(OC)cc(OC)c1 ZINC000035991017 569744227 /nfs/dbraw/zinc/74/42/27/569744227.db2.gz XHVHCQMJAMZYAI-XMMPIXPASA-N 1 1 467.566 3.739 50 0 JHAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCOCC1 ZINC000036249803 569758154 /nfs/dbraw/zinc/75/81/54/569758154.db2.gz ASPYFBQMWASCQJ-QFIPXVFZSA-N 1 1 469.582 3.807 50 0 JHAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCOCC1 ZINC000036249803 569758155 /nfs/dbraw/zinc/75/81/55/569758155.db2.gz ASPYFBQMWASCQJ-QFIPXVFZSA-N 1 1 469.582 3.807 50 0 JHAAMO COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c(OC)c1 ZINC000036342602 569765888 /nfs/dbraw/zinc/76/58/88/569765888.db2.gz KLEDXCMGTRBJCG-QHCPKHFHSA-N 1 1 499.995 3.874 50 0 JHAAMO COc1ccc(OC)c([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000036342628 569765938 /nfs/dbraw/zinc/76/59/38/569765938.db2.gz UFGQJKITNAWKLZ-VWLOTQADSA-N 1 1 493.604 3.837 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036345180 569767592 /nfs/dbraw/zinc/76/75/92/569767592.db2.gz PSRXGSFZWLGIRD-RDPSFJRHSA-N 1 1 467.541 3.787 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036345180 569767594 /nfs/dbraw/zinc/76/75/94/569767594.db2.gz PSRXGSFZWLGIRD-RDPSFJRHSA-N 1 1 467.541 3.787 50 0 JHAAMO COc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000036548357 569776405 /nfs/dbraw/zinc/77/64/05/569776405.db2.gz BIUZXRRWYROHHD-IZZNHLLZSA-N 1 1 468.557 3.557 50 0 JHAAMO CC[C@@H](C(=O)NC1CCN(c2ccccc2C(=O)N2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000037276979 569782286 /nfs/dbraw/zinc/78/22/86/569782286.db2.gz BYZUXZFFMWIZOR-XMMPIXPASA-N 1 1 462.638 3.743 50 0 JHAAMO CCCc1nc2c(c(=O)n1CC(=O)NCc1ccccc1Cl)CC[N@H+](Cc1ccccc1)C2 ZINC000101878860 569806868 /nfs/dbraw/zinc/80/68/68/569806868.db2.gz WFEANTIKONSTBT-UHFFFAOYSA-N 1 1 464.997 3.724 50 0 JHAAMO CCCc1nc2c(c(=O)n1CC(=O)NCc1ccccc1Cl)CC[N@@H+](Cc1ccccc1)C2 ZINC000101878860 569806870 /nfs/dbraw/zinc/80/68/70/569806870.db2.gz WFEANTIKONSTBT-UHFFFAOYSA-N 1 1 464.997 3.724 50 0 JHAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)NC[C@@H](c1ccncc1)N1CCOCC1 ZINC000039499924 569810078 /nfs/dbraw/zinc/81/00/78/569810078.db2.gz RXGBOIYEKGIREU-XCZPVHLTSA-N 1 1 486.616 3.597 50 0 JHAAMO CCc1nn2c(ncc3c2ccn(CCC[NH+]2CCOCC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397559 569825774 /nfs/dbraw/zinc/82/57/74/569825774.db2.gz BWKDPSDNDCFUAG-UHFFFAOYSA-N 1 1 451.958 3.649 50 0 JHAAMO CN1CC[NH+](CCCNc2ncc(Cl)c(-c3cc4c(cccc4C(=O)NC4CC4)s3)n2)CC1 ZINC000043171547 569838150 /nfs/dbraw/zinc/83/81/50/569838150.db2.gz BNFAYJPQCPZQND-UHFFFAOYSA-N 1 1 485.057 3.953 50 0 in-vitro JHAAMO COc1cccc(C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@H]2CC(c3ccc4c(c3)OCO4)=NO2)c1 ZINC000104983820 569848162 /nfs/dbraw/zinc/84/81/62/569848162.db2.gz FFABLSSPUXMNPR-RBBKRZOGSA-N 1 1 470.566 3.595 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000105000133 569848998 /nfs/dbraw/zinc/84/89/98/569848998.db2.gz BKIXRZUYWAJKFU-OFVILXPXSA-N 1 1 472.649 3.523 50 0 JHAAMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](C[C@@H]1C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]31)CC2 ZINC000049586688 569849100 /nfs/dbraw/zinc/84/91/00/569849100.db2.gz KVFNXTACKHFLKO-AJABSLSHSA-N 1 1 455.595 3.908 50 0 biogenic JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C[C@H](O)COC ZINC000105003231 569849311 /nfs/dbraw/zinc/84/93/11/569849311.db2.gz USIMAWVJMDFGEJ-GHTZIAJQSA-N 1 1 467.031 3.626 50 0 JHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000106018907 569853703 /nfs/dbraw/zinc/85/37/03/569853703.db2.gz NZUUMSPNDGSIAF-SCYDXJQRSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000106018907 569853704 /nfs/dbraw/zinc/85/37/04/569853704.db2.gz NZUUMSPNDGSIAF-SCYDXJQRSA-N 1 1 456.329 3.733 50 0 JHAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cccc(CN3c4ccccc4C(=O)N4CCC[C@H]4C3=O)c2)C1 ZINC000106378379 569854139 /nfs/dbraw/zinc/85/41/39/569854139.db2.gz UZUOPSCSEHJPNP-RLWLMLJZSA-N 1 1 488.632 3.690 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000169681963 569870964 /nfs/dbraw/zinc/87/09/64/569870964.db2.gz IDJVGAWZGBXTDF-NFBKMPQASA-N 1 1 478.630 3.890 50 0 JHAAMO COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@H]1[C@@H](C(=O)NCC[NH+]1CCCCC1)C2 ZINC000230138073 570045945 /nfs/dbraw/zinc/04/59/45/570045945.db2.gz BXPSRSXZHBZHGX-BDYUSTAISA-N 1 1 497.083 3.814 50 0 JHAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000230201150 570046148 /nfs/dbraw/zinc/04/61/48/570046148.db2.gz PTYYGYVGYINSFO-FAODYONGSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000230201150 570046149 /nfs/dbraw/zinc/04/61/49/570046149.db2.gz PTYYGYVGYINSFO-FAODYONGSA-N 1 1 456.329 3.733 50 0 JHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000245238744 570057586 /nfs/dbraw/zinc/05/75/86/570057586.db2.gz ALYIXBQRRAZMKM-SFTDATJTSA-N 1 1 455.603 3.732 50 0 JHAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000245329619 570066329 /nfs/dbraw/zinc/06/63/29/570066329.db2.gz UFPWEYKBJUVCDC-FQRUVTKNSA-N 1 1 495.670 3.617 50 0 JHAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000245329619 570066330 /nfs/dbraw/zinc/06/63/30/570066330.db2.gz UFPWEYKBJUVCDC-FQRUVTKNSA-N 1 1 495.670 3.617 50 0 JHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(c2nc3ccccc3n(Cc3ccc(C)cc3)c2=O)C1 ZINC000245343215 570067249 /nfs/dbraw/zinc/06/72/49/570067249.db2.gz IGSFJMXUABLDNA-BJKOFHAPSA-N 1 1 487.648 3.570 50 0 JHAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000253412202 570097856 /nfs/dbraw/zinc/09/78/56/570097856.db2.gz QERPGEQSBGGWBZ-CNPGNWEMSA-N 1 1 472.589 3.524 50 0 biogenic JHAAMO O=C(c1c(F)cccc1F)N1CCC2(C[C@H]2C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000299762279 570174649 /nfs/dbraw/zinc/17/46/49/570174649.db2.gz SXWUHSWSBBFHFQ-FQEVSTJZSA-N 1 1 453.533 3.552 50 0 JHAAMO Cc1ccc(C(=O)NC[C@H](C)Oc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)s1 ZINC000299778773 570176320 /nfs/dbraw/zinc/17/63/20/570176320.db2.gz NMXAEBAZJXXARX-FQEVSTJZSA-N 1 1 464.635 3.967 50 0 JHAAMO C[NH+](C)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000003062401 194222439 /nfs/dbraw/zinc/22/24/39/194222439.db2.gz RJXQKCLZHNDZIE-UHFFFAOYSA-N 1 1 498.004 3.625 50 0 JHAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000012677142 195082955 /nfs/dbraw/zinc/08/29/55/195082955.db2.gz PBVDURVVPOEZKA-HSZRJFAPSA-N 1 1 465.575 3.598 50 0 JHAAMO Cc1cc(=O)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)nn1-c1cccc(C(F)(F)F)c1 ZINC000012677930 195083096 /nfs/dbraw/zinc/08/30/96/195083096.db2.gz LMTCGNKOUCFVMH-SFHVURJKSA-N 1 1 460.456 3.720 50 0 JHAAMO CCN1CCN(C(=O)c2ccc(N3CCC([N@@H+](C)CCOc4ccc(C)cc4)CC3)cc2)CC1 ZINC000012726947 195097714 /nfs/dbraw/zinc/09/77/14/195097714.db2.gz VTAFPYBIBUONAK-UHFFFAOYSA-N 1 1 464.654 3.752 50 0 JHAAMO C[C@@H](CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000012729686 195098411 /nfs/dbraw/zinc/09/84/11/195098411.db2.gz PYGUYWZTXBWZKW-NRFANRHFSA-N 1 1 484.666 3.745 50 0 JHAAMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)CC2)c(C)c1 ZINC000012757438 195109186 /nfs/dbraw/zinc/10/91/86/195109186.db2.gz GISFRQOYTDNVAO-QFIPXVFZSA-N 1 1 478.058 3.777 50 0 JHAAMO CN(CC(=O)Nc1c(Cl)cccc1C(F)(F)F)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012795470 195135462 /nfs/dbraw/zinc/13/54/62/195135462.db2.gz CAITXSNVWMRNEY-UHFFFAOYSA-N 1 1 482.934 3.574 50 0 JHAAMO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)c2cccs2)cc1 ZINC000012813111 195145626 /nfs/dbraw/zinc/14/56/26/195145626.db2.gz JRFUIVYUQQMTEH-RUZDIDTESA-N 1 1 499.658 3.704 50 0 JHAAMO Cc1ccc([C@H]([NH2+]CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)c2cccs2)cc1 ZINC000012813117 195145630 /nfs/dbraw/zinc/14/56/30/195145630.db2.gz JRFUIVYUQQMTEH-VWLOTQADSA-N 1 1 499.658 3.704 50 0 JHAAMO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CC[NH+](CCO)CC1)occ3-c1ccc(F)cc1 ZINC000020622258 195190207 /nfs/dbraw/zinc/19/02/07/195190207.db2.gz UDXIRSAIIDKPKT-UHFFFAOYSA-N 1 1 478.520 3.723 50 0 JHAAMO COc1cccc(-n2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3c2=O)c1 ZINC000020904513 195244885 /nfs/dbraw/zinc/24/48/85/195244885.db2.gz NBLSSGSAJDIVBX-UHFFFAOYSA-N 1 1 453.542 3.957 50 0 JHAAMO COC(=O)c1c(OCCCc2ccccc2)cc(=O)n2c1CC[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000020905874 195245012 /nfs/dbraw/zinc/24/50/12/195245012.db2.gz MIEMTUKBCOLQPQ-UHFFFAOYSA-N 1 1 476.573 3.713 50 0 JHAAMO COC(=O)c1c(OCCCc2ccccc2)cc(=O)n2c1CC[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000020905874 195245016 /nfs/dbraw/zinc/24/50/16/195245016.db2.gz MIEMTUKBCOLQPQ-UHFFFAOYSA-N 1 1 476.573 3.713 50 0 JHAAMO Cc1ccc(Nc2cc(N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)nc(C)[nH+]2)cc1 ZINC000021794711 195321955 /nfs/dbraw/zinc/32/19/55/195321955.db2.gz LMUIYNZQCQNUHA-UHFFFAOYSA-N 1 1 451.596 3.965 50 0 JHAAMO CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCC[N@@H+](C)C4CCCCC4)C3)ccc21 ZINC000021938119 195337850 /nfs/dbraw/zinc/33/78/50/195337850.db2.gz DOVYWMXOUPYJAY-JOCHJYFZSA-N 1 1 488.698 3.833 50 0 JHAAMO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000057739163 195359215 /nfs/dbraw/zinc/35/92/15/195359215.db2.gz HFNUNYCQWYGKEF-UHFFFAOYSA-N 1 1 455.502 3.560 50 0 JHAAMO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000057739163 195359217 /nfs/dbraw/zinc/35/92/17/195359217.db2.gz HFNUNYCQWYGKEF-UHFFFAOYSA-N 1 1 455.502 3.560 50 0 JHAAMO CCOC(=O)c1c(NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)sc2c1CCCC2 ZINC000058021525 195362736 /nfs/dbraw/zinc/36/27/36/195362736.db2.gz ZQFIVKMQIBOXCE-UHFFFAOYSA-N 1 1 456.612 3.747 50 0 JHAAMO C[C@@H]([NH2+][C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1Br ZINC000058135587 195365633 /nfs/dbraw/zinc/36/56/33/195365633.db2.gz KEPLPZHCFYZPAW-MNOVXSKESA-N 1 1 458.278 3.660 50 0 JHAAMO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(C)c(Cl)cc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000102884932 130366108 /nfs/dbraw/zinc/36/61/08/130366108.db2.gz LVJWWMCVUALAEJ-CXLKWVGHSA-N 1 1 479.964 3.651 50 0 JHAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCOCC2)[C@H]1c1cccs1 ZINC000020508313 519719784 /nfs/dbraw/zinc/71/97/84/519719784.db2.gz UBUBZWKRJXFDIX-XZOQPEGZSA-N 1 1 455.624 3.523 50 0 JHAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](CCc1nc(-c2ccc(Br)cc2)no1)CC(C)C ZINC000036147337 519881011 /nfs/dbraw/zinc/88/10/11/519881011.db2.gz ZIGMDQCPUNKISC-SFHVURJKSA-N 1 1 468.392 3.704 50 0 JHAAMO CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCC[NH+]4CCOCC4)c3)C2)cc1 ZINC000033035130 521084048 /nfs/dbraw/zinc/08/40/48/521084048.db2.gz VGTMHHLDEOULLT-XMMPIXPASA-N 1 1 494.636 3.949 50 0 JHAAMO CCOc1ccc(Oc2ccc(S(=O)(=O)NCc3ccc(N4CCC[N@@H+](C)CC4)nc3)cc2)cc1 ZINC000048367791 521183205 /nfs/dbraw/zinc/18/32/05/521183205.db2.gz QIRSYLCSWDIIME-UHFFFAOYSA-N 1 1 496.633 3.893 50 0 JHAAMO CC[NH+]1CCN(C(=O)[C@H](C)C2CCN(C(=O)c3sc(-c4ccc(F)cc4)nc3C)CC2)CC1 ZINC000065007028 521667368 /nfs/dbraw/zinc/66/73/68/521667368.db2.gz RVDKDBPAQLLDOM-QGZVFWFLSA-N 1 1 472.630 3.910 50 0 JHAAMO CN(C)S(=O)(=O)c1cc(NCc2ccsc2)cc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000014543475 521970484 /nfs/dbraw/zinc/97/04/84/521970484.db2.gz MEIZCTOAWNSVKR-WMZHIEFXSA-N 1 1 490.695 3.605 50 0 JHAAMO COCCn1c(C)cc(O)c([C@@H](c2cccc(OC)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697605 522065323 /nfs/dbraw/zinc/06/53/23/522065323.db2.gz VAXQAOLNKRIVPC-AREMUKBSSA-N 1 1 481.568 3.568 50 0 JHAAMO COCCn1c(C)cc(O)c([C@@H](c2ccccc2OC)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697624 522065422 /nfs/dbraw/zinc/06/54/22/522065422.db2.gz DHMOWMPFSBGNOH-AREMUKBSSA-N 1 1 481.568 3.568 50 0 JHAAMO COC(=O)c1ccc2c(c1)nc(N1CC[NH+](Cc3ccccc3)CC1)n(Cc1ccc(F)cc1)c2=O ZINC000049006469 522183517 /nfs/dbraw/zinc/18/35/17/522183517.db2.gz BUUMTAAMIPCYCK-UHFFFAOYSA-N 1 1 486.547 3.693 50 0 JHAAMO COc1cc(C)c(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1C ZINC000014993808 522194603 /nfs/dbraw/zinc/19/46/03/522194603.db2.gz NVAWACSKFIXXLM-OAQYLSRUSA-N 1 1 461.610 3.772 50 0 JHAAMO COC(=O)c1sc2nc(C[N@H+](Cc3c(C)nn(C)c3C)C3CC3)ccc2c1NC(=O)[C@H]1CCCO1 ZINC000014981072 522434152 /nfs/dbraw/zinc/43/41/52/522434152.db2.gz KCKHCNMQFXGRMC-HXUWFJFHSA-N 1 1 497.621 3.715 50 0 JHAAMO COC(=O)c1sc2nc(C[N@@H+](Cc3c(C)nn(C)c3C)C3CC3)ccc2c1NC(=O)[C@H]1CCCO1 ZINC000014981072 522434159 /nfs/dbraw/zinc/43/41/59/522434159.db2.gz KCKHCNMQFXGRMC-HXUWFJFHSA-N 1 1 497.621 3.715 50 0 JHAAMO CCc1nn(CC(=O)NCCC[N@@H+](Cc2ccccc2)C(C)C)c(=O)c2cc3sccc3n21 ZINC000004101513 522701899 /nfs/dbraw/zinc/70/18/99/522701899.db2.gz NSRTZHOKHTYSLJ-UHFFFAOYSA-N 1 1 465.623 3.690 50 0 JHAAMO CC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)CC1CC1 ZINC000036309315 522808662 /nfs/dbraw/zinc/80/86/62/522808662.db2.gz HVTACURRZDTDQP-CVDCTZTESA-N 1 1 458.624 3.744 50 0 JHAAMO COCCC[N@@H+](Cc1nc(=O)c2c(-c3ccccc3C)csc2[nH]1)C[C@H](O)COC(C)C ZINC000036205808 523269770 /nfs/dbraw/zinc/26/97/70/523269770.db2.gz APCKPIKIQABTSP-SFHVURJKSA-N 1 1 459.612 3.584 50 0 JHAAMO COCCC[N@H+](Cc1nc(=O)c2c(-c3ccccc3C)csc2[nH]1)C[C@H](O)COC(C)C ZINC000036205808 523269775 /nfs/dbraw/zinc/26/97/75/523269775.db2.gz APCKPIKIQABTSP-SFHVURJKSA-N 1 1 459.612 3.584 50 0 JHAAMO COc1ccc(CC[N@@H+](C)Cc2cc(I)c(O)c(OC)c2)cc1OC ZINC000016663068 523941257 /nfs/dbraw/zinc/94/12/57/523941257.db2.gz HPCNNQHJCOHWCT-UHFFFAOYSA-N 1 1 457.308 3.697 50 0 JHAAMO COc1ccc(C[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)Cc2ccccc2)cc1 ZINC000048299530 524011346 /nfs/dbraw/zinc/01/13/46/524011346.db2.gz MXGJJDXAHPWNDQ-UHFFFAOYSA-N 1 1 463.603 3.744 50 0 JHAAMO COc1ccc(C[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)Cc2ccccc2)cc1 ZINC000048299530 524011349 /nfs/dbraw/zinc/01/13/49/524011349.db2.gz MXGJJDXAHPWNDQ-UHFFFAOYSA-N 1 1 463.603 3.744 50 0 JHAAMO COc1ccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4cccc(F)c4)[nH]c(=O)c3C2)cc1 ZINC000020467750 524039744 /nfs/dbraw/zinc/03/97/44/524039744.db2.gz WWILMTPKMRUFNJ-UHFFFAOYSA-N 1 1 454.527 3.619 50 0 JHAAMO COc1ccc(C[N@H+]2CCc3nc(SCC(=O)Nc4cccc(F)c4)[nH]c(=O)c3C2)cc1 ZINC000020467750 524039746 /nfs/dbraw/zinc/03/97/46/524039746.db2.gz WWILMTPKMRUFNJ-UHFFFAOYSA-N 1 1 454.527 3.619 50 0 JHAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000033062183 524088154 /nfs/dbraw/zinc/08/81/54/524088154.db2.gz AHPKWUYPELCWKX-HNNXBMFYSA-N 1 1 450.008 3.615 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008610984 524099625 /nfs/dbraw/zinc/09/96/25/524099625.db2.gz JAXNZKQCFJRUDU-OAQYLSRUSA-N 1 1 471.605 3.780 50 0 JHAAMO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)COC(C)C)C2CC2)c1 ZINC000036309474 524764855 /nfs/dbraw/zinc/76/48/55/524764855.db2.gz ATNLTCLREMWZCW-URXFXBBRSA-N 1 1 472.651 3.812 50 0 JHAAMO COc1ccc(S(=O)(=O)N2CCN(c3nc(Nc4ccc(C)cc4)cc(C)[nH+]3)CC2)cc1C ZINC000024023255 525039257 /nfs/dbraw/zinc/03/92/57/525039257.db2.gz RJXBQJGFZHEGQB-UHFFFAOYSA-N 1 1 467.595 3.665 50 0 JHAAMO Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCC[N@H+](C)C3CCCCC3)c3ccccc32)cc1 ZINC000064971493 525117035 /nfs/dbraw/zinc/11/70/35/525117035.db2.gz SYQSHDRUPWHFRX-UHFFFAOYSA-N 1 1 477.609 3.761 50 0 JHAAMO C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@H+](Cc1cc3ccccc3s1)CC2 ZINC000014957209 525120032 /nfs/dbraw/zinc/12/00/32/525120032.db2.gz URZXAHOUMQALDF-GOSISDBHSA-N 1 1 461.591 3.807 50 0 JHAAMO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CC[NH+](C/C=C/c3ccccc3)CC2)C1=O ZINC000022792046 525322058 /nfs/dbraw/zinc/32/20/58/525322058.db2.gz NSBFOPKKFTVWHT-NRTJEHLZSA-N 1 1 454.574 3.895 50 0 JHAAMO Cc1cc(O)c([C@@H](c2ccncc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1cccnc1 ZINC000022698135 525324940 /nfs/dbraw/zinc/32/49/40/525324940.db2.gz OKRUBNGCDHIDPR-HHHXNRCGSA-N 1 1 485.563 3.751 50 0 JHAAMO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3ccccc3)C[N@@H+](Cc3ccc(O)cc3)C2)cn1 ZINC000014741898 525439613 /nfs/dbraw/zinc/43/96/13/525439613.db2.gz HYTOTCKLBHNWJK-LOSJGSFVSA-N 1 1 459.590 3.972 50 0 JHAAMO Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccn3)c2=O)[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000022698021 525785553 /nfs/dbraw/zinc/78/55/53/525785553.db2.gz HHAOGMKKBNRPLT-NDEPHWFRSA-N 1 1 481.600 3.921 50 0 JHAAMO C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1CCC[NH+]1CCOCC1 ZINC000021869348 525794085 /nfs/dbraw/zinc/79/40/85/525794085.db2.gz SOVKCLNINFNXSV-LJAQVGFWSA-N 1 1 492.664 3.931 50 0 JHAAMO COc1cccc(Cn2nc(C(=O)NC3CC3)c3c2CC[N@H+](Cc2cc4c(cc2Cl)OCO4)C3)c1 ZINC000014749678 526112704 /nfs/dbraw/zinc/11/27/04/526112704.db2.gz IYKYMZGIFVNXSB-UHFFFAOYSA-N 1 1 494.979 3.773 50 0 JHAAMO COc1cccc(Cn2nc(C(=O)NC3CC3)c3c2CC[N@@H+](Cc2cc4c(cc2Cl)OCO4)C3)c1 ZINC000014749678 526112715 /nfs/dbraw/zinc/11/27/15/526112715.db2.gz IYKYMZGIFVNXSB-UHFFFAOYSA-N 1 1 494.979 3.773 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccccc3)s2)c1 ZINC000033027261 526250592 /nfs/dbraw/zinc/25/05/92/526250592.db2.gz CRJPDWLWSVAUPY-SFHVURJKSA-N 1 1 479.606 3.974 50 0 JHAAMO Cc1ccc2nc(N3CCC[C@H](C(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)C3)[nH]c2c1 ZINC000033072145 526251923 /nfs/dbraw/zinc/25/19/23/526251923.db2.gz DEPDPSDPFDQPPW-NRFANRHFSA-N 1 1 478.616 3.555 50 0 JHAAMO O=C([C@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035513120 526539324 /nfs/dbraw/zinc/53/93/24/526539324.db2.gz UBPZDQCIBVBPBT-QHCPKHFHSA-N 1 1 459.569 3.844 50 0 JHAAMO O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000010974709 526776560 /nfs/dbraw/zinc/77/65/60/526776560.db2.gz CAMIBRAPQBXVBO-UHFFFAOYSA-N 1 1 493.604 3.925 50 0 JHAAMO O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000010974709 526776565 /nfs/dbraw/zinc/77/65/65/526776565.db2.gz CAMIBRAPQBXVBO-UHFFFAOYSA-N 1 1 493.604 3.925 50 0 JHAAMO O=C1c2cccc(N3CC[NH+](Cc4ccc5nccnc5c4)CC3)c2C(=O)N1Cc1ccccc1F ZINC000014977079 527126227 /nfs/dbraw/zinc/12/62/27/527126227.db2.gz GTVUWMHSLHKTGJ-UHFFFAOYSA-N 1 1 481.531 3.887 50 0 JHAAMO O=c1[nH]c(C[N@H+](C[C@@H](O)COCc2ccco2)C2CCCCC2)nc2sc3c(c21)CCC3 ZINC000036159826 527436309 /nfs/dbraw/zinc/43/63/09/527436309.db2.gz POEPDXNZZLOQLO-QGZVFWFLSA-N 1 1 457.596 3.779 50 0 JHAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1cccs1 ZINC000002300958 554139373 /nfs/dbraw/zinc/13/93/73/554139373.db2.gz RYZGKALNZZKHDS-IBGZPJMESA-N 1 1 455.561 3.879 50 0 JHAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1cccs1 ZINC000002300958 554139377 /nfs/dbraw/zinc/13/93/77/554139377.db2.gz RYZGKALNZZKHDS-IBGZPJMESA-N 1 1 455.561 3.879 50 0 JHAAMO O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000002409557 554190896 /nfs/dbraw/zinc/19/08/96/554190896.db2.gz SQXMXBQFMSZHIC-SUWCGCSTSA-N 1 1 475.854 3.790 50 0 JHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000008765341 554665805 /nfs/dbraw/zinc/66/58/05/554665805.db2.gz TZVMAFBBUDTGTC-QGZVFWFLSA-N 1 1 456.583 3.747 50 0 biogenic JHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1ncc2c3ccccc3n(Cc3c(C)cc(C)cc3C)c2c1=O ZINC000008933292 554827097 /nfs/dbraw/zinc/82/70/97/554827097.db2.gz WZBJOTRFBLKGCG-QFIPXVFZSA-N 1 1 485.632 3.925 50 0 JHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncc2c(C)n(Cc3ccccc3)c(C)c2c1=O ZINC000008965387 554839911 /nfs/dbraw/zinc/83/99/11/554839911.db2.gz MYSBWSLDZYCFMV-QHCPKHFHSA-N 1 1 463.626 3.634 50 0 JHAAMO CCCC[N@@H+](CCCNC(=O)[C@@H]1CCCN(c2ncnc3onc(C)c32)C1)Cc1ccccc1 ZINC000009267785 555043123 /nfs/dbraw/zinc/04/31/23/555043123.db2.gz SZQAZAPYGGTPKX-JOCHJYFZSA-N 1 1 464.614 3.951 50 0 JHAAMO COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000009268888 555044301 /nfs/dbraw/zinc/04/43/01/555044301.db2.gz HXAGVQSQYIVASC-FQEVSTJZSA-N 1 1 455.580 3.767 50 0 JHAAMO CC[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCc2nnc3ccc(N4CCCCC4)nn32)o1 ZINC000009431123 555199771 /nfs/dbraw/zinc/19/97/71/555199771.db2.gz NQXMTZYNQOOUOR-FQEVSTJZSA-N 1 1 479.629 3.721 50 0 JHAAMO CCC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2ccc(C)cc2C)cn3C)CC1 ZINC000009435400 555206344 /nfs/dbraw/zinc/20/63/44/555206344.db2.gz HDQFPPVSXCZLJK-UHFFFAOYSA-N 1 1 471.598 3.659 50 0 JHAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000009530592 555325317 /nfs/dbraw/zinc/32/53/17/555325317.db2.gz SFDSLEVSJDMCCQ-HSZRJFAPSA-N 1 1 488.009 3.978 50 0 JHAAMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000009593763 555409256 /nfs/dbraw/zinc/40/92/56/555409256.db2.gz KQZKVJSWZONYFR-JOCHJYFZSA-N 1 1 471.623 3.818 50 0 JHAAMO COC(=O)c1ccc(CN2CC[C@@H]([NH+]3CCN([C@@H]4CCc5ccccc5C4)CC3)CCC2=O)cc1 ZINC000019938882 555557255 /nfs/dbraw/zinc/55/72/55/555557255.db2.gz TVZFFLROFCOLCE-RRPNLBNLSA-N 1 1 475.633 3.529 50 0 JHAAMO CC[NH+]1CCN(C(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000019943098 555561493 /nfs/dbraw/zinc/56/14/93/555561493.db2.gz RFTFBICWXKWSFQ-UHFFFAOYSA-N 1 1 470.422 3.661 50 0 JHAAMO Cc1ccccc1N1C(=O)[C@H]2[C@H](C(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000013689435 555582822 /nfs/dbraw/zinc/58/28/22/555582822.db2.gz ZYDJWCHSNJXKHT-ZRIOWSNCSA-N 1 1 490.563 3.685 50 0 JHAAMO COc1cc(-c2nc(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)cs2)cc(OC)c1OC ZINC000013723660 555599398 /nfs/dbraw/zinc/59/93/98/555599398.db2.gz YBYIASMTXFWQIL-UHFFFAOYSA-N 1 1 467.591 3.723 50 0 JHAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3ccc4c(c3)nc3n(c4=O)CCCCC3)C[C@H]2C)c1 ZINC000020105299 555638679 /nfs/dbraw/zinc/63/86/79/555638679.db2.gz PTFUOMLHRCIIIB-JOCHJYFZSA-N 1 1 487.648 3.762 50 0 JHAAMO Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc12 ZINC000020153790 555673397 /nfs/dbraw/zinc/67/33/97/555673397.db2.gz KZQKJXVUTGQWIZ-WOJBJXKFSA-N 1 1 468.715 3.949 50 0 JHAAMO Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)NCCC[NH+]3CCCCCC3)cc12 ZINC000020153777 555673448 /nfs/dbraw/zinc/67/34/48/555673448.db2.gz SQUJMALQZKIRLM-UHFFFAOYSA-N 1 1 454.688 3.848 50 0 JHAAMO Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc12 ZINC000020153794 555673455 /nfs/dbraw/zinc/67/34/55/555673455.db2.gz KZQKJXVUTGQWIZ-BGYRXZFFSA-N 1 1 468.715 3.949 50 0 JHAAMO Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc12 ZINC000020153794 555673456 /nfs/dbraw/zinc/67/34/56/555673456.db2.gz KZQKJXVUTGQWIZ-BGYRXZFFSA-N 1 1 468.715 3.949 50 0 JHAAMO Cc1cccc(C[NH+]2CCN(C(=O)CN(C)C(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)CC2)c1 ZINC000014168434 555720955 /nfs/dbraw/zinc/72/09/55/555720955.db2.gz HDXDQSXOGCSXKC-UHFFFAOYSA-N 1 1 488.588 3.565 50 0 JHAAMO O=C(c1coc(=O)c(Br)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020264050 555746461 /nfs/dbraw/zinc/74/64/61/555746461.db2.gz ILEHVVZENNGOGD-UHFFFAOYSA-N 1 1 453.336 3.950 50 0 JHAAMO C[C@@H]1C[N@H+](CCCNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@H](C)O1 ZINC000014244746 555746877 /nfs/dbraw/zinc/74/68/77/555746877.db2.gz XDKHONBHZVDYDK-GASCZTMLSA-N 1 1 462.944 3.586 50 0 JHAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)N3CCCC3)C[C@H](COc3ccc(C)nc3)C2)cc1OC ZINC000014531290 555818742 /nfs/dbraw/zinc/81/87/42/555818742.db2.gz BIHXSVRAICUOMJ-FCHUYYIVSA-N 1 1 453.583 3.547 50 0 JHAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2ccc(F)cc2)C[N@H+](Cc2ccncc2)C1 ZINC000014532728 555820539 /nfs/dbraw/zinc/82/05/39/555820539.db2.gz VCQRUOHPJDEEHY-LEWJYISDSA-N 1 1 464.516 3.753 50 0 JHAAMO CC(C)Oc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1 ZINC000011813887 555829134 /nfs/dbraw/zinc/82/91/34/555829134.db2.gz MVCXSUQYTAQZDZ-NRFANRHFSA-N 1 1 461.610 3.934 50 0 JHAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4cccnc4Cl)CC3)n2)cc1OC ZINC000020574549 555829116 /nfs/dbraw/zinc/82/91/16/555829116.db2.gz WBCKFRXZLWOSFW-UHFFFAOYSA-N 1 1 457.918 3.653 50 0 JHAAMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(NC[C@H]3CC=CCC3)cc(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000014539574 555829290 /nfs/dbraw/zinc/82/92/90/555829290.db2.gz FKMZUGRADZPTIS-PMACEKPBSA-N 1 1 476.687 3.603 50 0 JHAAMO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([N@@H+](C)Cc1nc3ccccc3s1)C2 ZINC000014539586 555829669 /nfs/dbraw/zinc/82/96/69/555829669.db2.gz YOUVRGDWRXRIJQ-GOSISDBHSA-N 1 1 467.639 3.611 50 0 JHAAMO COc1cccc(Cn2nc(C(=O)N3CCC[C@@H](O)C3)c3c2CC[N@H+](Cc2ccc(C)c(C)c2)C3)c1 ZINC000014750348 555839365 /nfs/dbraw/zinc/83/93/65/555839365.db2.gz OLNVSYZSZXRLCF-XMMPIXPASA-N 1 1 488.632 3.712 50 0 JHAAMO COc1cccc(Cn2nc(C(=O)N3CCC[C@@H](O)C3)c3c2CC[N@@H+](Cc2ccc(C)c(C)c2)C3)c1 ZINC000014750348 555839370 /nfs/dbraw/zinc/83/93/70/555839370.db2.gz OLNVSYZSZXRLCF-XMMPIXPASA-N 1 1 488.632 3.712 50 0 JHAAMO Cc1oc(-c2cccc(NC(=O)[C@H]3CCC[N@H+](C)C3)c2)nc1CNC(=O)Cc1ccc2c(c1)OCO2 ZINC000011881013 555849333 /nfs/dbraw/zinc/84/93/33/555849333.db2.gz AXDIEZGHEJSARW-FQEVSTJZSA-N 1 1 490.560 3.518 50 0 JHAAMO Cc1cc(=O)c(C(=O)NCC[C@H]2CCC[N@@H+]2C)c(CCc2ccccc2)n1Cc1ccncc1 ZINC000012097358 555904864 /nfs/dbraw/zinc/90/48/64/555904864.db2.gz LUTZIFNFNPRNEH-XMMPIXPASA-N 1 1 458.606 3.599 50 0 JHAAMO COc1cc(=O)n2c(c1C(=O)NCc1cccc(F)c1)CC[N@@H+](C/C(C)=C/c1ccccc1)CC2 ZINC000012099553 555907135 /nfs/dbraw/zinc/90/71/35/555907135.db2.gz WQPACDMRSNUUQZ-HMMYKYKNSA-N 1 1 475.564 3.888 50 0 JHAAMO COc1cc(=O)n2c(c1C(=O)NCc1cccc(F)c1)CC[N@H+](C/C(C)=C/c1ccccc1)CC2 ZINC000012099553 555907138 /nfs/dbraw/zinc/90/71/38/555907138.db2.gz WQPACDMRSNUUQZ-HMMYKYKNSA-N 1 1 475.564 3.888 50 0 JHAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1nccs1)CC[N@@H+](C/C(C)=C/c1ccccc1)CC2 ZINC000012135518 555913319 /nfs/dbraw/zinc/91/33/19/555913319.db2.gz ZBKIRLSTFLDJDI-XDJHFCHBSA-N 1 1 478.618 3.547 50 0 JHAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1nccs1)CC[N@H+](C/C(C)=C/c1ccccc1)CC2 ZINC000012135518 555913321 /nfs/dbraw/zinc/91/33/21/555913321.db2.gz ZBKIRLSTFLDJDI-XDJHFCHBSA-N 1 1 478.618 3.547 50 0 JHAAMO COc1ccccc1C(=O)NC[C@@H](C)Oc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000022910017 555967652 /nfs/dbraw/zinc/96/76/52/555967652.db2.gz GTEMYUZCQZXZJX-JOCHJYFZSA-N 1 1 474.605 3.605 50 0 JHAAMO CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)ccc21 ZINC000022922066 555975856 /nfs/dbraw/zinc/97/58/56/555975856.db2.gz BDTBYDSKGKTRQV-NRFANRHFSA-N 1 1 475.637 3.772 50 0 JHAAMO CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)ccc21 ZINC000022922066 555975858 /nfs/dbraw/zinc/97/58/58/555975858.db2.gz BDTBYDSKGKTRQV-NRFANRHFSA-N 1 1 475.637 3.772 50 0 JHAAMO Cc1cccc(NC(=O)CN2CC[NH+](CCC(=O)Nc3ccc(Br)cc3F)CC2)c1C ZINC000022930832 555983819 /nfs/dbraw/zinc/98/38/19/555983819.db2.gz GJLHFZJIXSYQFB-UHFFFAOYSA-N 1 1 491.405 3.790 50 0 JHAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cnn(-c2cccc(F)c2)c1-n1cccc1 ZINC000022937303 555990287 /nfs/dbraw/zinc/99/02/87/555990287.db2.gz VWDIFXYYSDMFQR-UHFFFAOYSA-N 1 1 486.595 3.740 50 0 JHAAMO COc1ccc(OC)c(Nc2ncc3c(n2)CC[N@@H+](Cc2cc(OC)c(OC)cc2OC)C3)c1 ZINC000015779093 555997766 /nfs/dbraw/zinc/99/77/66/555997766.db2.gz JRUSNXUETSAQSV-UHFFFAOYSA-N 1 1 466.538 3.822 50 0 JHAAMO COc1ccc(OC)c(Nc2ncc3c(n2)CC[N@H+](Cc2cc(OC)c(OC)cc2OC)C3)c1 ZINC000015779093 555997768 /nfs/dbraw/zinc/99/77/68/555997768.db2.gz JRUSNXUETSAQSV-UHFFFAOYSA-N 1 1 466.538 3.822 50 0 JHAAMO CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)C[NH2+]Cc2ccccn2)ccc1Cl ZINC000012529978 555999612 /nfs/dbraw/zinc/99/96/12/555999612.db2.gz IBLDIAWIRQPULG-UHFFFAOYSA-N 1 1 458.971 3.679 50 0 JHAAMO CCOc1ccccc1-c1nc(CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cs1 ZINC000012545211 556021127 /nfs/dbraw/zinc/02/11/27/556021127.db2.gz IZRHZYTXCJMQOQ-UHFFFAOYSA-N 1 1 450.608 3.690 50 0 JHAAMO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)c2)cc1 ZINC000023156035 556025265 /nfs/dbraw/zinc/02/52/65/556025265.db2.gz OZARNRJFKDOVJC-UHFFFAOYSA-N 1 1 471.623 3.561 50 0 JHAAMO COC(=O)CC[C@H]1C[N@H+](Cc2cccc(F)c2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000023338547 556047733 /nfs/dbraw/zinc/04/77/33/556047733.db2.gz JDUPVUDBTHFAIH-LADGPHEKSA-N 1 1 469.601 3.800 50 0 JHAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cccc(F)c2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000023338547 556047734 /nfs/dbraw/zinc/04/77/34/556047734.db2.gz JDUPVUDBTHFAIH-LADGPHEKSA-N 1 1 469.601 3.800 50 0 JHAAMO COc1cc(C)c(C[NH+]2CCN(Cn3ncn(-c4ccccc4C)c3=S)CC2)cc1OC ZINC000023475611 556074582 /nfs/dbraw/zinc/07/45/82/556074582.db2.gz BLSRJBPJEFLHJD-UHFFFAOYSA-N 1 1 453.612 3.813 50 0 JHAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015987382 556101430 /nfs/dbraw/zinc/10/14/30/556101430.db2.gz ASURZQRPSMSXKP-KEZOAJOQSA-N 1 1 453.473 3.980 50 0 JHAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015987382 556101435 /nfs/dbraw/zinc/10/14/35/556101435.db2.gz ASURZQRPSMSXKP-KEZOAJOQSA-N 1 1 453.473 3.980 50 0 JHAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016010268 556109813 /nfs/dbraw/zinc/10/98/13/556109813.db2.gz VJQHKCKUOBNWGP-CMCWBKRRSA-N 1 1 469.463 3.699 50 0 JHAAMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](C[C@@H]1C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@H](O)[C@@H]31)CC2 ZINC000016036950 556119582 /nfs/dbraw/zinc/11/95/82/556119582.db2.gz KVFNXTACKHFLKO-CXVDLYJHSA-N 1 1 455.595 3.908 50 0 biogenic JHAAMO O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016042940 556122572 /nfs/dbraw/zinc/12/25/72/556122572.db2.gz AHPHQJCTZGBEMP-QUMGSSFMSA-N 1 1 478.504 3.809 50 0 biogenic JHAAMO O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016042940 556122574 /nfs/dbraw/zinc/12/25/74/556122574.db2.gz AHPHQJCTZGBEMP-QUMGSSFMSA-N 1 1 478.504 3.809 50 0 biogenic JHAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000012983826 556177254 /nfs/dbraw/zinc/17/72/54/556177254.db2.gz CDFFERSYWKOHRI-HNNXBMFYSA-N 1 1 452.536 3.595 50 0 JHAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000012983826 556177256 /nfs/dbraw/zinc/17/72/56/556177256.db2.gz CDFFERSYWKOHRI-HNNXBMFYSA-N 1 1 452.536 3.595 50 0 JHAAMO CCc1ccc([C@H]([NH2+]CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c2cccs2)cc1 ZINC000012995196 556187400 /nfs/dbraw/zinc/18/74/00/556187400.db2.gz JCLQITIEAWJKMR-DLQTWLKSSA-N 1 1 454.596 3.521 50 0 JHAAMO Cc1nc2ccc(S(=O)(=O)N3CCN(c4nc(Nc5ccccc5)cc(C)[nH+]4)CC3)cc2s1 ZINC000017012838 556203183 /nfs/dbraw/zinc/20/31/83/556203183.db2.gz QZCFMTNCYIISGV-UHFFFAOYSA-N 1 1 480.619 3.958 50 0 JHAAMO COc1ccc(C[NH+]2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c2ccccc12 ZINC000019723113 556361857 /nfs/dbraw/zinc/36/18/57/556361857.db2.gz YJTFYLPEERMZQI-UHFFFAOYSA-N 1 1 450.535 3.832 50 0 JHAAMO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)c2)C1 ZINC000032863815 556515462 /nfs/dbraw/zinc/51/54/62/556515462.db2.gz JSBOLWPPWVECFT-NHCUHLMSSA-N 1 1 487.641 3.840 50 0 JHAAMO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)c2)C1 ZINC000032863815 556515467 /nfs/dbraw/zinc/51/54/67/556515467.db2.gz JSBOLWPPWVECFT-NHCUHLMSSA-N 1 1 487.641 3.840 50 0 JHAAMO Cc1ccc(-c2noc(CN3CC[NH+](C[C@@H](O)CO[C@@H](C)c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000032894943 556525101 /nfs/dbraw/zinc/52/51/01/556525101.db2.gz VRIFGXNCMPEJCT-WMZHIEFXSA-N 1 1 471.001 3.955 50 0 JHAAMO COc1ccccc1[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)[NH+](C)C ZINC000032983084 563110098 /nfs/dbraw/zinc/11/00/98/563110098.db2.gz MWVPFJYFJVCZGV-VWLOTQADSA-N 1 1 493.629 3.869 50 0 JHAAMO COc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(F)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000057110953 569594454 /nfs/dbraw/zinc/59/44/54/569594454.db2.gz PUZMHCGACRSNRI-MHPNLKRKSA-N 1 1 497.526 3.849 50 0 JHAAMO COc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(F)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000057110953 569594455 /nfs/dbraw/zinc/59/44/55/569594455.db2.gz PUZMHCGACRSNRI-MHPNLKRKSA-N 1 1 497.526 3.849 50 0 JHAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000057415602 569601080 /nfs/dbraw/zinc/60/10/80/569601080.db2.gz UUYMLEXBMUWXCA-XMMPIXPASA-N 1 1 451.542 3.952 50 0 JHAAMO CC(=O)O[C@H]1[C@@H]([NH+]2CCCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCOCC5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000059769910 569607692 /nfs/dbraw/zinc/60/76/92/569607692.db2.gz YBZSVMDKHBRYNB-RIQJFVKASA-N 1 1 488.713 3.707 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCCn1c(=O)c2cccn2c2ccc(Br)cc21 ZINC000033332054 569624659 /nfs/dbraw/zinc/62/46/59/569624659.db2.gz OOLTYKUJRVGFDP-QGZVFWFLSA-N 1 1 473.415 3.788 50 0 JHAAMO CCc1ccccc1NC(=O)c1cnn2c1n(CC)c1c(c2=O)C[N@H+](Cc2ccccc2)CC1 ZINC000064835913 569636613 /nfs/dbraw/zinc/63/66/13/569636613.db2.gz ZFPGRCWZTSXBGP-UHFFFAOYSA-N 1 1 455.562 3.889 50 0 JHAAMO O=C(/C=C/c1ccccc1)Nc1ccc(N2CCC[N@H+](C[C@@H](O)Cc3ccccc3)CC2)nc1 ZINC000034682262 569643700 /nfs/dbraw/zinc/64/37/00/569643700.db2.gz GOZVXQGZBNKJBZ-UMEWRJQLSA-N 1 1 456.590 3.849 50 0 JHAAMO COc1ccccc1N1CC[NH+](C[C@@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)CCO2)CC1 ZINC000034685911 569645079 /nfs/dbraw/zinc/64/50/79/569645079.db2.gz OBRYZYDPXQBMEU-GOSISDBHSA-N 1 1 464.393 3.665 50 0 JHAAMO Cc1noc2nc(CCC(=O)NCCC[N@H+]3CCc4ccccc4C3)nc(N3CCCCCC3)c12 ZINC000065056608 569654096 /nfs/dbraw/zinc/65/40/96/569654096.db2.gz QRCKISOYUXPMON-UHFFFAOYSA-N 1 1 476.625 3.804 50 0 JHAAMO Cc1noc2nc(CCC(=O)NCCC[N@H+]3CCc4ccccc4C3)nc(N3C[C@@H](C)C[C@H](C)C3)c12 ZINC000065056763 569654213 /nfs/dbraw/zinc/65/42/13/569654213.db2.gz GWHRLDRXURZVQH-PMACEKPBSA-N 1 1 490.652 3.906 50 0 JHAAMO COc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2cccc(C)c2)CC3)c1 ZINC000034758634 569657354 /nfs/dbraw/zinc/65/73/54/569657354.db2.gz AEDVAHFQALWAGY-UHFFFAOYSA-N 1 1 473.577 3.536 50 0 JHAAMO C[NH+]1CCN(c2nc3c(c(Oc4cccc(F)c4)n2)CN(C(=O)c2ccc(F)cc2F)CC3)CC1 ZINC000034759802 569657522 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COc1ccc(C[N@H+]2CCc3c(c(=O)n4ncc(C(=O)Nc5ccc(C(C)C)cc5)c4n3C)C2)cc1 ZINC000064967752 524038973 /nfs/dbraw/zinc/03/89/73/524038973.db2.gz DPCQUQRHOJTOEV-UHFFFAOYSA-N 1 1 485.588 3.976 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O ZINC000008610789 524099691 /nfs/dbraw/zinc/09/96/91/524099691.db2.gz GIVZVNHUFAVLJK-HXUWFJFHSA-N 1 1 489.595 3.919 50 0 aggregator JHAAMO COc1ccc(N2C[C@@H](NC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)CC2=O)cc1 ZINC000016047638 524444304 /nfs/dbraw/zinc/44/43/04/524444304.db2.gz ZWTAOZKPDIHBPJ-DEOSSOPVSA-N 1 1 484.600 3.917 50 0 JHAAMO Cc1ccc(CNc2cc(C(=O)NC[C@H]3CCC[N@H+](C)C3)cc(S(=O)(=O)NC(C)(C)C)c2)s1 ZINC000014752957 524612885 /nfs/dbraw/zinc/61/28/85/524612885.db2.gz FXJXHDDKYOYZMH-GOSISDBHSA-N 1 1 492.711 3.817 50 0 JHAAMO Cc1cccc(NC(=O)N2CC[NH+](CCn3c(-c4ccncc4)nc4cccnc43)CC2)c1C ZINC000033139770 524622128 /nfs/dbraw/zinc/62/21/28/524622128.db2.gz JWXDQBRETYVFMJ-UHFFFAOYSA-N 1 1 455.566 3.960 50 0 JHAAMO Cc1ccccc1C(=O)N1CCc2nc(N3CC[NH+](C)CC3)nc(Oc3cccc(F)c3)c2C1 ZINC000034758118 525050648 /nfs/dbraw/zinc/05/06/48/525050648.db2.gz QFZIXLUZWRXUKW-UHFFFAOYSA-N 1 1 461.541 3.667 50 0 JHAAMO C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@H+](Cc1cccc(OCc3ccccc3)c1)CC2 ZINC000012201491 525355493 /nfs/dbraw/zinc/35/54/93/525355493.db2.gz CEVYFWSDPVYEGY-OAQYLSRUSA-N 1 1 482.588 3.801 50 0 JHAAMO COc1ccc([C@H](CNS(=O)(=O)c2ccc(C)cc2Br)[NH+]2CCCC2)cc1 ZINC000048339798 525362416 /nfs/dbraw/zinc/36/24/16/525362416.db2.gz PSCFGDBOVXXBDS-IBGZPJMESA-N 1 1 453.402 3.882 50 0 JHAAMO Cc1c2c(nn1-c1ccccc1)c(C)nn([C@H](C)C(=O)NCCC[N@@H+](C)C1CCCCC1)c2=O ZINC000064971280 525938715 /nfs/dbraw/zinc/93/87/15/525938715.db2.gz NGIDDCXBMOVELS-HXUWFJFHSA-N 1 1 464.614 3.531 50 0 JHAAMO Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccccn3)c2=O)[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000022698019 525980800 /nfs/dbraw/zinc/98/08/00/525980800.db2.gz HHAOGMKKBNRPLT-MUUNZHRXSA-N 1 1 481.600 3.921 50 0 JHAAMO COc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000035485299 526199972 /nfs/dbraw/zinc/19/99/72/526199972.db2.gz BIUZXRRWYROHHD-UIOOFZCWSA-N 1 1 468.557 3.557 50 0 biogenic JHAAMO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000033060278 526300868 /nfs/dbraw/zinc/30/08/68/526300868.db2.gz HUVBGOXZGGMWDP-UHFFFAOYSA-N 1 1 467.570 3.614 50 0 JHAAMO O=C(C1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033266492 526307846 /nfs/dbraw/zinc/30/78/46/526307846.db2.gz PMZYUGZKLMXMPV-UHFFFAOYSA-N 1 1 480.616 3.957 50 0 JHAAMO O=C(C[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)N1CCN(c2ncnc3ccccc32)CC1 ZINC000014965089 526823710 /nfs/dbraw/zinc/82/37/10/526823710.db2.gz HIWOPBZNQDJPLN-MHZLTWQESA-N 1 1 479.584 3.914 50 0 JHAAMO O=C(C[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)N1CCN(c2ncnc3ccccc32)CC1 ZINC000014965089 526823715 /nfs/dbraw/zinc/82/37/15/526823715.db2.gz HIWOPBZNQDJPLN-MHZLTWQESA-N 1 1 479.584 3.914 50 0 JHAAMO O=C(c1nn(CCCc2ccccc2)c2c1C[N@H+](Cc1c(F)cccc1F)CC2)N1CCC(O)CC1 ZINC000014755752 526926804 /nfs/dbraw/zinc/92/68/04/526926804.db2.gz BCVQPKUJWYSJLX-UHFFFAOYSA-N 1 1 494.586 3.949 50 0 JHAAMO O=C(c1nn(CCCc2ccccc2)c2c1C[N@@H+](Cc1c(F)cccc1F)CC2)N1CCC(O)CC1 ZINC000014755752 526926809 /nfs/dbraw/zinc/92/68/09/526926809.db2.gz BCVQPKUJWYSJLX-UHFFFAOYSA-N 1 1 494.586 3.949 50 0 JHAAMO O=C(CSc1ccccc1)N1CCC2(C[C@H]2C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000014996094 527040695 /nfs/dbraw/zinc/04/06/95/527040695.db2.gz LDLPQCOWMMVLGT-DEOSSOPVSA-N 1 1 463.647 3.752 50 0 JHAAMO O=C1c2cccc(N3CC[NH+](Cc4ccc(OC(F)(F)F)cc4)CC3)c2C(=O)N1C[C@H]1CCCO1 ZINC000014994539 527126182 /nfs/dbraw/zinc/12/61/82/527126182.db2.gz OYORFUNJZGADMR-LJQANCHMSA-N 1 1 489.494 3.682 50 0 JHAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C[N@@H+](Cc2ccccc2)C1 ZINC000014748742 527203765 /nfs/dbraw/zinc/20/37/65/527203765.db2.gz PGKGQFPBTSTDRO-FCHUYYIVSA-N 1 1 489.547 3.948 50 0 JHAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)CN1CCOCC1)CC1CC1 ZINC000036308699 527549977 /nfs/dbraw/zinc/54/99/77/527549977.db2.gz FLNVKROERNDROG-VWLOTQADSA-N 1 1 476.621 3.878 50 0 JHAAMO Cc1nn(C)c(C)c1C[N@@H+](C1CC1)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000014990171 527628358 /nfs/dbraw/zinc/62/83/58/527628358.db2.gz SMOVUYCJDORDBN-LJQANCHMSA-N 1 1 458.990 3.965 50 0 JHAAMO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(C)c(Cl)cc3OC)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002219859 554100317 /nfs/dbraw/zinc/10/03/17/554100317.db2.gz LVJWWMCVUALAEJ-LIYOMKHYSA-N 1 1 479.964 3.651 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002327753 554150137 /nfs/dbraw/zinc/15/01/37/554150137.db2.gz ROCOQYPETNYMGR-FXKZBUDASA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002327753 554150139 /nfs/dbraw/zinc/15/01/39/554150139.db2.gz ROCOQYPETNYMGR-FXKZBUDASA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)s1 ZINC000008912653 554803247 /nfs/dbraw/zinc/80/32/47/554803247.db2.gz DLKNKAXHOMCMJH-HDICACEKSA-N 1 1 458.676 3.646 50 0 JHAAMO CC[N@@H+](CCCNC(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)Cc1ccccc1 ZINC000009153012 554941757 /nfs/dbraw/zinc/94/17/57/554941757.db2.gz YFHWQEMEQTYTTC-QHCPKHFHSA-N 1 1 489.668 3.798 50 0 JHAAMO Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)c1c(ncn(CCC[NH+]3CCOCC3)c1=N)O2 ZINC000009159481 554949044 /nfs/dbraw/zinc/94/90/44/554949044.db2.gz OFNCJQCXRCEADP-DEOSSOPVSA-N 1 1 482.588 3.865 50 0 JHAAMO CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000009229001 555003129 /nfs/dbraw/zinc/00/31/29/555003129.db2.gz KKZDXMFXPBATFQ-UHFFFAOYSA-N 1 1 468.623 3.703 50 0 JHAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000013304715 555374278 /nfs/dbraw/zinc/37/42/78/555374278.db2.gz LGFPJEZXHKNMDN-GMAHTHKFSA-N 1 1 472.566 3.820 50 0 JHAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000013304715 555374283 /nfs/dbraw/zinc/37/42/83/555374283.db2.gz LGFPJEZXHKNMDN-GMAHTHKFSA-N 1 1 472.566 3.820 50 0 JHAAMO COC(=O)c1c(OCc2cccnc2)cc(=O)n2c1CC[N@@H+](Cc1cc3ccccc3s1)CC2 ZINC000019839836 555508046 /nfs/dbraw/zinc/50/80/46/555508046.db2.gz FGMZBBZLLCEYMJ-UHFFFAOYSA-N 1 1 475.570 3.882 50 0 JHAAMO Cc1cc(=O)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)nn1-c1ccccc1C(F)(F)F ZINC000009818821 555522673 /nfs/dbraw/zinc/52/26/73/555522673.db2.gz KKBBCYVNPFSIDQ-SFHVURJKSA-N 1 1 460.456 3.720 50 0 JHAAMO Cc1ccccc1CN(c1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)S(C)(=O)=O ZINC000019897193 555532881 /nfs/dbraw/zinc/53/28/81/555532881.db2.gz VPSAYOJRKWGYAJ-UHFFFAOYSA-N 1 1 477.630 3.919 50 0 JHAAMO O=C(CSc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1)NCCC[NH+]1CCOCC1 ZINC000019944033 555562212 /nfs/dbraw/zinc/56/22/12/555562212.db2.gz BYPMNFDRJNMHTA-UHFFFAOYSA-N 1 1 472.010 3.779 50 0 JHAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000010030507 555601053 /nfs/dbraw/zinc/60/10/53/555601053.db2.gz HTBMWRQCTGZLQU-RUZDIDTESA-N 1 1 477.630 3.631 50 0 JHAAMO CC(C)c1nnc(NC(=O)CCC(=O)N2CC[NH+](CCOc3cccc4ccccc43)CC2)s1 ZINC000013776325 555616435 /nfs/dbraw/zinc/61/64/35/555616435.db2.gz XABBWYVQOCTNOZ-UHFFFAOYSA-N 1 1 481.622 3.757 50 0 JHAAMO COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CC[NH+]2CCOCC2)cc1 ZINC000020082941 555630853 /nfs/dbraw/zinc/63/08/53/555630853.db2.gz CHCAJKOXBYXIGJ-QFIPXVFZSA-N 1 1 472.383 3.858 50 0 JHAAMO Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc2ccc(NC(=O)CCC(=O)NCCC[NH+]3CCOCC3)cc12 ZINC000020138603 555662190 /nfs/dbraw/zinc/66/21/90/555662190.db2.gz KWANIVQBIARZKT-NHCUHLMSSA-N 1 1 495.668 3.583 50 0 JHAAMO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC000014019654 555672346 /nfs/dbraw/zinc/67/23/46/555672346.db2.gz WMSNVAZYBCDOPT-UHFFFAOYSA-N 1 1 461.312 3.757 50 0 JHAAMO CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000020155260 555675360 /nfs/dbraw/zinc/67/53/60/555675360.db2.gz PYQQGGUINJTKHI-UHFFFAOYSA-N 1 1 475.589 3.679 50 0 JHAAMO O=C(Nc1cccc(-c2nc3ccccc3s2)c1)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000014115405 555691875 /nfs/dbraw/zinc/69/18/75/555691875.db2.gz RDVPQMYHYZXGCG-IBGZPJMESA-N 1 1 455.605 3.801 50 0 JHAAMO CCOc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000020233979 555725231 /nfs/dbraw/zinc/72/52/31/555725231.db2.gz KGEDCCCMVYEFIZ-UHFFFAOYSA-N 1 1 493.629 3.625 50 0 JHAAMO O=C(CSc1nc(C=Cc2ccc(F)cc2)n[nH]1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000010574669 555727656 /nfs/dbraw/zinc/72/76/56/555727656.db2.gz DCJLMBUSHRHUSA-DHZHZOJOSA-N 1 1 451.571 3.987 50 0 JHAAMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+](Cc1ccccc1)C(C)C ZINC000010929402 555747753 /nfs/dbraw/zinc/74/77/53/555747753.db2.gz XATVLSMYESBHFS-UHFFFAOYSA-N 1 1 459.612 3.719 50 0 JHAAMO CCc1c(C(=O)NCC2([NH+]3CCOCC3)CCCCCC2)c(=O)cc(C)n1Cc1cccs1 ZINC000020351924 555780325 /nfs/dbraw/zinc/78/03/25/555780325.db2.gz YDLPSPPAKBZUIW-UHFFFAOYSA-N 1 1 471.667 3.984 50 0 JHAAMO CC(C)Cc1nc2oc3c(ncnc3NCCC[NH+]3CCOCC3)c2c2c1COC(C)(C)C2 ZINC000020533525 555804993 /nfs/dbraw/zinc/80/49/93/555804993.db2.gz QOMRTNVITRSSFG-UHFFFAOYSA-N 1 1 453.587 3.955 50 0 JHAAMO CSc1nc2nc(C)c(CCC(=O)Nc3nc(C[N@H+]4C[C@H](C)C[C@H](C)C4)cs3)c(C)n2n1 ZINC000014529401 555816641 /nfs/dbraw/zinc/81/66/41/555816641.db2.gz KOSUZZMMLKKSAO-OKILXGFUSA-N 1 1 473.672 3.969 50 0 JHAAMO CSc1nc2nc(C)c(CCC(=O)Nc3nc(C[N@@H+]4C[C@H](C)C[C@H](C)C4)cs3)c(C)n2n1 ZINC000014529401 555816646 /nfs/dbraw/zinc/81/66/46/555816646.db2.gz KOSUZZMMLKKSAO-OKILXGFUSA-N 1 1 473.672 3.969 50 0 JHAAMO O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccncc2)C1 ZINC000014530377 555816969 /nfs/dbraw/zinc/81/69/69/555816969.db2.gz KLOPGLZOKNTEMW-VQTJNVASSA-N 1 1 487.526 3.700 50 0 JHAAMO O=C(NCCc1cnc[nH]1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccncc2)C1 ZINC000014530377 555816972 /nfs/dbraw/zinc/81/69/72/555816972.db2.gz KLOPGLZOKNTEMW-VQTJNVASSA-N 1 1 487.526 3.700 50 0 JHAAMO O=C(NCCc1cnc[nH]1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccncc2)C1 ZINC000014530377 555816975 /nfs/dbraw/zinc/81/69/75/555816975.db2.gz KLOPGLZOKNTEMW-VQTJNVASSA-N 1 1 487.526 3.700 50 0 JHAAMO CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1nc3ccccc3n1C)CC2 ZINC000014535351 555824311 /nfs/dbraw/zinc/82/43/11/555824311.db2.gz RHBDDQIETUSEQK-UHFFFAOYSA-N 1 1 485.632 3.996 50 0 JHAAMO CC[NH+](CC)CCNC(=O)c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1 ZINC000020644156 555845989 /nfs/dbraw/zinc/84/59/89/555845989.db2.gz GYSYGHXWWWRYEB-UHFFFAOYSA-N 1 1 489.439 3.568 50 0 JHAAMO Cc1oc(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+](C)C3)c2)nc1CNC(=O)c1cc(C(C)C)on1 ZINC000011872393 555847608 /nfs/dbraw/zinc/84/76/08/555847608.db2.gz CNJXOPCYOPCQJT-GOSISDBHSA-N 1 1 465.554 3.972 50 0 JHAAMO Cc1ccc(Nc2cc(N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)nc(C)[nH+]2)cc1 ZINC000021794707 555856350 /nfs/dbraw/zinc/85/63/50/555856350.db2.gz UZDYISNCCYWQMK-UHFFFAOYSA-N 1 1 451.596 3.965 50 0 JHAAMO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000015067886 555867926 /nfs/dbraw/zinc/86/79/26/555867926.db2.gz WEYJBHBQEDCOFZ-UHFFFAOYSA-N 1 1 450.938 3.907 50 0 JHAAMO COc1ccc(NC(=O)c2ccc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1 ZINC000022089733 555872873 /nfs/dbraw/zinc/87/28/73/555872873.db2.gz JTVJQZFSPZLLAJ-UHFFFAOYSA-N 1 1 459.546 3.994 50 0 JHAAMO C[NH+]1CCN(C(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000015225690 555886675 /nfs/dbraw/zinc/88/66/75/555886675.db2.gz SGXLJXNOAHXUQE-UHFFFAOYSA-N 1 1 490.840 3.612 50 0 JHAAMO Cc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2cc(N3CCCCC3)nc(C)[nH+]2)CC1 ZINC000015671286 555928343 /nfs/dbraw/zinc/92/83/43/555928343.db2.gz WEABUZKBNZXHPY-UHFFFAOYSA-N 1 1 457.644 3.718 50 0 JHAAMO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)nc1C[S@](=O)c1ccc(C)cc1 ZINC000015682283 555951726 /nfs/dbraw/zinc/95/17/26/555951726.db2.gz LOINFSPSQZDWPL-UUWRZZSWSA-N 1 1 481.618 3.718 50 0 JHAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)NCc4cccc(Cl)c4)C3)n2)cc1OC ZINC000015726162 555963538 /nfs/dbraw/zinc/96/35/38/555963538.db2.gz OHPGWTAWUXTLLP-SFHVURJKSA-N 1 1 470.957 3.936 50 0 JHAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)NCc4cccc(Cl)c4)C3)n2)cc1OC ZINC000015726162 555963542 /nfs/dbraw/zinc/96/35/42/555963542.db2.gz OHPGWTAWUXTLLP-SFHVURJKSA-N 1 1 470.957 3.936 50 0 JHAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N[C@@H](C)CCc4ccco4)CC3)n2)cc1OC ZINC000015726447 555965223 /nfs/dbraw/zinc/96/52/23/555965223.db2.gz XAMCMRWDBPCEAA-KRWDZBQOSA-N 1 1 468.554 3.696 50 0 JHAAMO CCCCc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCC3)cc1 ZINC000022909034 555966396 /nfs/dbraw/zinc/96/63/96/555966396.db2.gz JIIYNAATOPHIPM-UHFFFAOYSA-N 1 1 484.666 3.528 50 0 JHAAMO CCCCc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCCC3)cc1 ZINC000022909274 555967112 /nfs/dbraw/zinc/96/71/12/555967112.db2.gz MRKNQMMZRRDBEZ-UHFFFAOYSA-N 1 1 498.693 3.918 50 0 JHAAMO Cc1c(C)n(C[C@H](O)C[NH+]2CCN(C[C@H](O)Cn3c(C)c(C)c4ccccc43)CC2)c2ccccc12 ZINC000022916693 555970560 /nfs/dbraw/zinc/97/05/60/555970560.db2.gz KQBYZIKLDOLXQZ-WMPKNSHKSA-N 1 1 488.676 3.869 50 0 JHAAMO O=C1CCSc2ccc(S(=O)(=O)N3CCC[C@H](C[N@H+]4CCc5ccccc5C4)C3)cc2N1 ZINC000015731069 555973575 /nfs/dbraw/zinc/97/35/75/555973575.db2.gz HBETUHONAURCMO-GOSISDBHSA-N 1 1 471.648 3.580 50 0 JHAAMO COc1ccc(COC[C@@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000022923928 555976551 /nfs/dbraw/zinc/97/65/51/555976551.db2.gz XNGCNPVJTCOMKG-SANMLTNESA-N 1 1 476.617 3.989 50 0 JHAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)cc1Cl ZINC000022925546 555977847 /nfs/dbraw/zinc/97/78/47/555977847.db2.gz JFJVAUDLRBKGEM-XMMPIXPASA-N 1 1 487.044 3.951 50 0 JHAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)cc1Cl ZINC000022925546 555977850 /nfs/dbraw/zinc/97/78/50/555977850.db2.gz JFJVAUDLRBKGEM-XMMPIXPASA-N 1 1 487.044 3.951 50 0 JHAAMO C[NH+]1CCN([C@@H](CNC(=O)COc2ccc(OCc3ccccc3)cc2)c2cccs2)CC1 ZINC000022931539 555984479 /nfs/dbraw/zinc/98/44/79/555984479.db2.gz ZGQPRIKOBQKCEZ-DEOSSOPVSA-N 1 1 465.619 3.811 50 0 JHAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3ccccc3NC(=O)C3=CSCCO3)C[C@@H]2C)c1 ZINC000015774218 555992761 /nfs/dbraw/zinc/99/27/61/555992761.db2.gz RVHXWJQVIHVMSG-NRFANRHFSA-N 1 1 494.661 3.869 50 0 JHAAMO O=C(CCc1nnc2ccc(NCc3ccccc3Cl)nn21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015776243 555995969 /nfs/dbraw/zinc/99/59/69/555995969.db2.gz NDNKEJZYFOFMCM-UHFFFAOYSA-N 1 1 490.011 3.667 50 0 JHAAMO COc1ccc(C(=O)NC[C@@H](C(C)C)[NH+](C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000023055094 556003286 /nfs/dbraw/zinc/00/32/86/556003286.db2.gz PVUITNZOFUWPAM-SFHVURJKSA-N 1 1 498.443 3.575 50 0 JHAAMO O=C(Nc1ccc(F)c(F)c1)[C@H]1CC12CCN(C(=O)C1([NH+]3CCOCC3)CCCCC1)CC2 ZINC000023128749 556018166 /nfs/dbraw/zinc/01/81/66/556018166.db2.gz QMFOEOBDFZWOCL-LJQANCHMSA-N 1 1 461.553 3.567 50 0 JHAAMO O[C@@H](COC[C@@H]1COc2ccccc2O1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023473270 556074327 /nfs/dbraw/zinc/07/43/27/556074327.db2.gz KJMNBTFDTVAIRH-CLJLJLNGSA-N 1 1 474.601 3.611 50 0 JHAAMO CCCC[N@@H+](CC)CCCNC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2(=O)=O ZINC000015944137 556080124 /nfs/dbraw/zinc/08/01/24/556080124.db2.gz WCQBAPWZEBBZKD-UHFFFAOYSA-N 1 1 471.623 3.741 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016001498 556106440 /nfs/dbraw/zinc/10/64/40/556106440.db2.gz LVJRPHZSTWKCLS-DDOIHHOZSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001498 556106442 /nfs/dbraw/zinc/10/64/42/556106442.db2.gz LVJRPHZSTWKCLS-DDOIHHOZSA-N 1 1 456.329 3.733 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000016011683 556110570 /nfs/dbraw/zinc/11/05/70/556110570.db2.gz DUZBSLXGTCZLDT-PBWVOLNLSA-N 1 1 493.844 3.929 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016011683 556110571 /nfs/dbraw/zinc/11/05/71/556110571.db2.gz DUZBSLXGTCZLDT-PBWVOLNLSA-N 1 1 493.844 3.929 50 0 JHAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016012372 556111328 /nfs/dbraw/zinc/11/13/28/556111328.db2.gz BXGDDWKZSYHEGU-CMCWBKRRSA-N 1 1 470.356 3.987 50 0 JHAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)[nH+]1 ZINC000024023238 556116981 /nfs/dbraw/zinc/11/69/81/556116981.db2.gz ITMXONPTVRYZOS-UHFFFAOYSA-N 1 1 488.411 3.802 50 0 JHAAMO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016033892 556118010 /nfs/dbraw/zinc/11/80/10/556118010.db2.gz YTORPUMGLRVFHN-UAKAABGRSA-N 1 1 469.463 3.699 50 0 JHAAMO CC(C)C[N@@H+]1CCO[C@H](CSc2nnc(-c3nn(Cc4ccccc4)c(=O)c4ccccc43)o2)C1 ZINC000012930854 556147860 /nfs/dbraw/zinc/14/78/60/556147860.db2.gz KDFMBSCCHRQMJS-FQEVSTJZSA-N 1 1 491.617 3.944 50 0 JHAAMO CC(C)C[N@H+]1CCO[C@H](CSc2nnc(-c3nn(Cc4ccccc4)c(=O)c4ccccc43)o2)C1 ZINC000012930854 556147862 /nfs/dbraw/zinc/14/78/62/556147862.db2.gz KDFMBSCCHRQMJS-FQEVSTJZSA-N 1 1 491.617 3.944 50 0 JHAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000024829642 556157463 /nfs/dbraw/zinc/15/74/63/556157463.db2.gz WKHGLTSPKQWNHB-QGZVFWFLSA-N 1 1 463.409 3.769 50 0 JHAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012987494 556181772 /nfs/dbraw/zinc/18/17/72/556181772.db2.gz OWMPTFPXLXCQKZ-QHCPKHFHSA-N 1 1 455.605 3.850 50 0 JHAAMO COc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](C)[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000025636748 556228054 /nfs/dbraw/zinc/22/80/54/556228054.db2.gz SUAXHUMEZZKYEU-IBGZPJMESA-N 1 1 479.602 3.673 50 0 JHAAMO C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025719147 556231429 /nfs/dbraw/zinc/23/14/29/556231429.db2.gz TUIFSVQKXUOFKL-JOCHJYFZSA-N 1 1 481.600 3.872 50 0 JHAAMO COC(=O)CC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N1CCc2cc(OC)c(OC)cc2C1 ZINC000017680822 556263914 /nfs/dbraw/zinc/26/39/14/556263914.db2.gz STCFINHHCXKXIR-VWNXMTODSA-N 1 1 452.595 3.906 50 0 JHAAMO COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000017680822 556263916 /nfs/dbraw/zinc/26/39/16/556263916.db2.gz STCFINHHCXKXIR-VWNXMTODSA-N 1 1 452.595 3.906 50 0 JHAAMO COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000017680822 556263919 /nfs/dbraw/zinc/26/39/19/556263919.db2.gz STCFINHHCXKXIR-VWNXMTODSA-N 1 1 452.595 3.906 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000027075923 556273449 /nfs/dbraw/zinc/27/34/49/556273449.db2.gz LKZBLJXQHFYYFM-LIONHTAISA-N 1 1 465.509 3.849 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000027075923 556273455 /nfs/dbraw/zinc/27/34/55/556273455.db2.gz LKZBLJXQHFYYFM-LIONHTAISA-N 1 1 465.509 3.849 50 0 JHAAMO O=C(c1cnc2n(c1=O)CCS2)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000029255616 556349481 /nfs/dbraw/zinc/34/94/81/556349481.db2.gz GWBIFGQFIVTATJ-UHFFFAOYSA-N 1 1 473.023 3.689 50 0 JHAAMO C[C@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1C(=O)c2ccccc2C1=O ZINC000019607446 556357294 /nfs/dbraw/zinc/35/72/94/556357294.db2.gz HCJDLFQGNUNVOS-HXUWFJFHSA-N 1 1 453.542 3.605 50 0 JHAAMO COc1cc(=O)n2c(c1C(=O)N(C)[C@@H](C)c1ccco1)CC[N@H+](Cc1ccc(C)c(C)c1)CC2 ZINC000019740370 556364064 /nfs/dbraw/zinc/36/40/64/556364064.db2.gz AAAZJUSBAJVANU-FQEVSTJZSA-N 1 1 463.578 3.958 50 0 JHAAMO O=C(COc1ccccc1)NCc1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000019745538 556365964 /nfs/dbraw/zinc/36/59/64/556365964.db2.gz STPHREFLCWPYOT-UHFFFAOYSA-N 1 1 467.573 3.699 50 0 JHAAMO O=C(CC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000030914317 556388134 /nfs/dbraw/zinc/38/81/34/556388134.db2.gz KJWXETTZGNBWOU-UHFFFAOYSA-N 1 1 497.949 3.741 50 0 JHAAMO Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@H]([NH2+]CC2(N4CCCCC4)CCCCC2)CC3)o1 ZINC000032578217 556445479 /nfs/dbraw/zinc/44/54/79/556445479.db2.gz HNTSFVSHRYMDRH-OAQYLSRUSA-N 1 1 467.658 3.887 50 0 JHAAMO Cc1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c2cnn(Cc3cccs3)c2n1 ZINC000032906180 556531143 /nfs/dbraw/zinc/53/11/43/556531143.db2.gz UETNFMORSRJEFY-UHFFFAOYSA-N 1 1 453.612 3.614 50 0 JHAAMO CC(C)c1ccc(C[NH+]2CCN(C(=O)C3CCN(C(=O)NCc4ccco4)CC3)CC2)cc1 ZINC000032913628 556538399 /nfs/dbraw/zinc/53/83/99/556538399.db2.gz DVJUISDEXXRWJP-UHFFFAOYSA-N 1 1 452.599 3.669 50 0 JHAAMO CCc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CC[NH+](C)CC2)sc1C ZINC000032999697 563110223 /nfs/dbraw/zinc/11/02/23/563110223.db2.gz UJRZKOADBXQFIP-UHFFFAOYSA-N 1 1 490.695 3.798 50 0 JHAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2nc(-c4ccccc4)cs2)CCO3)C1 ZINC000055053254 569590645 /nfs/dbraw/zinc/59/06/45/569590645.db2.gz IAUXCVAXXVSNTE-NRFANRHFSA-N 1 1 462.619 3.902 50 0 JHAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@@H+](C)CC3)N(Cc3c(F)cccc3F)C2)cc1 ZINC000055132007 569590929 /nfs/dbraw/zinc/59/09/29/569590929.db2.gz KCFPOPIGNUVDDA-YKSBVNFPSA-N 1 1 475.605 3.873 50 0 JHAAMO CCOc1ccccc1[C@@H]1NC(=O)NC(C[NH+]2CCC(Cc3ccccc3)CC2)=C1C(=O)OC ZINC000057415683 569601020 /nfs/dbraw/zinc/60/10/20/569601020.db2.gz ZBOUDLMUXVXHJD-VWLOTQADSA-N 1 1 463.578 3.821 50 0 JHAAMO CCOc1ccccc1[C@@H]1NC(=O)N=C(C[NH+]2CCC(Cc3ccccc3)CC2)C1C(=O)OC ZINC000057415683 569601022 /nfs/dbraw/zinc/60/10/22/569601022.db2.gz ZBOUDLMUXVXHJD-VWLOTQADSA-N 1 1 463.578 3.821 50 0 JHAAMO CCOC(=O)c1sc(NC(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C(=O)OCC)c1C ZINC000062613781 569613105 /nfs/dbraw/zinc/61/31/05/569613105.db2.gz XBFZVKAPOKCLJP-IYBDPMFKSA-N 1 1 495.642 3.763 50 0 JHAAMO COc1ccc(C(=O)N[C@@H](c2nnc3n2CC[N@@H+](C/C(C)=C/c2ccco2)CC3)C(C)C)cc1 ZINC000064053752 569616223 /nfs/dbraw/zinc/61/62/23/569616223.db2.gz JLMGAJOSUUMFDV-KRNATXNASA-N 1 1 463.582 3.968 50 0 JHAAMO COc1ccc(C(=O)N[C@@H](c2nnc3n2CC[N@H+](C/C(C)=C/c2ccco2)CC3)C(C)C)cc1 ZINC000064053752 569616225 /nfs/dbraw/zinc/61/62/25/569616225.db2.gz JLMGAJOSUUMFDV-KRNATXNASA-N 1 1 463.582 3.968 50 0 JHAAMO Cn1c2c(C(=O)Nc3cccc(Br)c3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064836035 569636698 /nfs/dbraw/zinc/63/66/98/569636698.db2.gz LDXIHEGZEUGCHW-UHFFFAOYSA-N 1 1 492.377 3.606 50 0 JHAAMO Cn1c2c(C(=O)Nc3ccc(F)cc3Cl)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064836139 569636775 /nfs/dbraw/zinc/63/67/75/569636775.db2.gz ASNHRCROXHKTRJ-UHFFFAOYSA-N 1 1 465.916 3.636 50 0 JHAAMO Cc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccccc2C)CC3)cc1 ZINC000034676641 569641373 /nfs/dbraw/zinc/64/13/73/569641373.db2.gz VVFKFVLXXLSVSU-UHFFFAOYSA-N 1 1 457.578 3.836 50 0 JHAAMO Cc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccc(F)cc2F)CC3)cc1 ZINC000034676646 569641454 /nfs/dbraw/zinc/64/14/54/569641454.db2.gz FLICYSCIISTLSP-UHFFFAOYSA-N 1 1 479.531 3.806 50 0 JHAAMO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](C[C@@H](O)c4ccccc4)CC3)n2)cc1Cl ZINC000034677553 569641897 /nfs/dbraw/zinc/64/18/97/569641897.db2.gz MHLRYMFQJWTWSB-JOCHJYFZSA-N 1 1 454.958 3.740 50 0 JHAAMO O=C(NCC[N@@H+](CCc1ccccc1)Cc1ccco1)c1cccc(-n2nnc3cccnc32)c1 ZINC000064925472 569646512 /nfs/dbraw/zinc/64/65/12/569646512.db2.gz LCTCZYSYNXQTJO-UHFFFAOYSA-N 1 1 466.545 3.883 50 0 JHAAMO Cc1cccc([C@H]2C[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CN(C(=O)NC(C)C)C2)c1 ZINC000034710957 569650748 /nfs/dbraw/zinc/65/07/48/569650748.db2.gz ABJUUFKESXROPK-UIOOFZCWSA-N 1 1 462.638 3.863 50 0 JHAAMO COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1CN(C(=O)c1ccccc1C)CC2 ZINC000034757807 569657109 /nfs/dbraw/zinc/65/71/09/569657109.db2.gz IEJLKEDKQVYFHX-UHFFFAOYSA-N 1 1 473.577 3.536 50 0 JHAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000034787729 569659827 /nfs/dbraw/zinc/65/98/27/569659827.db2.gz KLYUDJRVUHFXFM-NDEPHWFRSA-N 1 1 489.641 3.754 50 0 JHAAMO 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COCCCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169678936 569869409 /nfs/dbraw/zinc/86/94/09/569869409.db2.gz ZVOBCXGXGRHSIF-GMAHTHKFSA-N 1 1 461.528 3.721 50 0 JHAAMO O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229894546 570041756 /nfs/dbraw/zinc/04/17/56/570041756.db2.gz RWSWEWMKANHCQA-BOCITWAFSA-N 1 1 457.917 3.924 50 0 JHAAMO O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229894546 570041757 /nfs/dbraw/zinc/04/17/57/570041757.db2.gz RWSWEWMKANHCQA-BOCITWAFSA-N 1 1 457.917 3.924 50 0 JHAAMO COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@H]1[C@H](C(=O)NCC[NH+]1CCCCC1)C2 ZINC000230138076 570045960 /nfs/dbraw/zinc/04/59/60/570045960.db2.gz BXPSRSXZHBZHGX-VPUSJEBWSA-N 1 1 497.083 3.814 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000245228609 570055728 /nfs/dbraw/zinc/05/57/28/570055728.db2.gz XGYLPXHEVUQKNI-LEWJYISDSA-N 1 1 467.662 3.540 50 0 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ASSOXEGVBQNBGJ-ZJSXRUAMSA-N 1 1 474.667 3.917 50 0 JHAAMO O=C1[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1ccccc1 ZINC000247803818 570069489 /nfs/dbraw/zinc/06/94/89/570069489.db2.gz HJRPWMQCDYZUOL-GYKHTSFTSA-N 1 1 463.537 3.713 50 0 JHAAMO CC(C)[N@@H+](CCCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)C1CCCCC1 ZINC000247998968 570072452 /nfs/dbraw/zinc/07/24/52/570072452.db2.gz NDOBEIZYIGFNAP-FGZHOGPDSA-N 1 1 492.711 3.530 50 0 JHAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)C(C)(C)C)c(OC)c1 ZINC000248231950 570076436 /nfs/dbraw/zinc/07/64/36/570076436.db2.gz ATOYITPMNRJLAL-BJESRGMDSA-N 1 1 460.530 3.834 50 0 JHAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)C(C)(C)C)c(OC)c1 ZINC000248231950 570076437 /nfs/dbraw/zinc/07/64/37/570076437.db2.gz ATOYITPMNRJLAL-BJESRGMDSA-N 1 1 460.530 3.834 50 0 JHAAMO Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000248340554 570078096 /nfs/dbraw/zinc/07/80/96/570078096.db2.gz UWFRZUWQZYUDEX-ORQYLMBXSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000248343147 570078247 /nfs/dbraw/zinc/07/82/47/570078247.db2.gz ZVENPOCPTBEMON-GSRZOBFVSA-N 1 1 469.463 3.753 50 0 JHAAMO COc1ccc2c3c1O[C@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)c1c(O)c3ccccc3c(O)c12 ZINC000252494995 570082138 /nfs/dbraw/zinc/08/21/38/570082138.db2.gz OKEAVKXCBCXNTC-VLWYHKLTSA-N 1 1 469.537 3.882 50 0 JHAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000252517926 570083008 /nfs/dbraw/zinc/08/30/08/570083008.db2.gz VGEHIZAWOWIWDW-GKAYAJSDSA-N 1 1 456.329 3.733 50 0 JHAAMO COc1ccc([C@@H]2[C@@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c3ccccc3C(=O)N2C)cc1 ZINC000253411210 570097698 /nfs/dbraw/zinc/09/76/98/570097698.db2.gz OILQJUJLILEBSB-KBCQWCIPSA-N 1 1 461.606 3.986 50 0 biogenic JHAAMO CC(C)C[N@H+]1CC[C@H](CN(C)C(=O)C[C@@]2(c3ccccc3)CC(=O)N(Cc3cccs3)C2=O)C1 ZINC000299762156 570174661 /nfs/dbraw/zinc/17/46/61/570174661.db2.gz RQARSKOANCXBOJ-ZBLYBZFDSA-N 1 1 481.662 3.771 50 0 JHAAMO COC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C(=O)c2cc(-c4ccc(C)o4)n[nH]2)CCO3)C1 ZINC000299798474 570177297 /nfs/dbraw/zinc/17/72/97/570177297.db2.gz SLQNOHUVWTYCHT-FQEVSTJZSA-N 1 1 464.566 3.871 50 0 JHAAMO COc1cc2c(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cn(CC(C)C)c(=O)c2cc1OC ZINC000004078227 194375376 /nfs/dbraw/zinc/37/53/76/194375376.db2.gz NKJGZGXUVHMUIL-KDURUIRLSA-N 1 1 457.615 3.773 50 0 JHAAMO COc1ccc(CCN(C)C(=O)[C@@H]2CCC[N@@H+](Cc3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000009933448 195025338 /nfs/dbraw/zinc/02/53/38/195025338.db2.gz ZSVFHKDJJXZKOL-OAQYLSRUSA-N 1 1 486.609 3.643 50 0 JHAAMO CCN(CC)c1ccc(-c2nnc(SCC(=O)NCC3([NH+]4CCOCC4)CCCCC3)o2)cc1 ZINC000012636573 195068095 /nfs/dbraw/zinc/06/80/95/195068095.db2.gz MDQVDJOTKDAHBL-UHFFFAOYSA-N 1 1 487.670 3.826 50 0 JHAAMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](C[C@@H]1C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]31)CC2 ZINC000012659817 195079670 /nfs/dbraw/zinc/07/96/70/195079670.db2.gz KVFNXTACKHFLKO-RQMZEXTKSA-N 1 1 455.595 3.908 50 0 biogenic JHAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000012691267 195088346 /nfs/dbraw/zinc/08/83/46/195088346.db2.gz KKWNSGFNYKNAPH-UHFFFAOYSA-N 1 1 484.600 3.948 50 0 JHAAMO COc1ccc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000012731256 195098662 /nfs/dbraw/zinc/09/86/62/195098662.db2.gz QZPSGVWRCWFSKX-QHCPKHFHSA-N 1 1 481.618 3.707 50 0 JHAAMO COc1ccc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000012731253 195098704 /nfs/dbraw/zinc/09/87/04/195098704.db2.gz QZPSGVWRCWFSKX-HSZRJFAPSA-N 1 1 481.618 3.707 50 0 JHAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1I ZINC000012753176 195106987 /nfs/dbraw/zinc/10/69/87/195106987.db2.gz QCTZBSVHLZWXAG-UHFFFAOYSA-N 1 1 483.394 3.653 50 0 JHAAMO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCC[NH+]1CCOCC1)occ3C(C)(C)C ZINC000020624134 195191141 /nfs/dbraw/zinc/19/11/41/195191141.db2.gz ZLGIVMLXAKNVIJ-UHFFFAOYSA-N 1 1 454.567 3.916 50 0 JHAAMO O=C(CNC(=O)c1ccc(Br)o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020639110 195192577 /nfs/dbraw/zinc/19/25/77/195192577.db2.gz XHSZXTFTFPCDNG-UHFFFAOYSA-N 1 1 482.378 3.706 50 0 JHAAMO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000020760194 195217494 /nfs/dbraw/zinc/21/74/94/195217494.db2.gz XDVGEPILKNMMNB-NIVHOULJSA-N 1 1 490.563 3.766 50 0 biogenic JHAAMO CCn1c2ccccc2c2cc(C[N@@H+]3CCc4nnc([C@H](C)NC(=O)CCOC)n4CC3)ccc21 ZINC000020776982 195224231 /nfs/dbraw/zinc/22/42/31/195224231.db2.gz WSNFWFLPPMJHOB-IBGZPJMESA-N 1 1 474.609 3.678 50 0 JHAAMO C[C@@H](NC(=O)c1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)[nH]c1=O)c1cccs1 ZINC000020783409 195224836 /nfs/dbraw/zinc/22/48/36/195224836.db2.gz CXCBTGBUHZODFU-MVHVFESUSA-N 1 1 462.619 3.758 50 0 JHAAMO CCc1nn(CC(=O)NCCC[N@@H+](Cc2ccccc2)C(C)C)c(=O)c2cc3sc(C)cc3n21 ZINC000020862590 195233914 /nfs/dbraw/zinc/23/39/14/195233914.db2.gz CRGBAHWHGNBJLD-UHFFFAOYSA-N 1 1 479.650 3.998 50 0 JHAAMO C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1cccc3cccnc31)CC2 ZINC000020991897 195262472 /nfs/dbraw/zinc/26/24/72/195262472.db2.gz FVVZVPGSHRQMHL-HXUWFJFHSA-N 1 1 454.578 3.695 50 0 JHAAMO O=C(COc1ccc(-c2ncccn2)cc1C[N@H+]1CCc2ccccc2C1)NCCc1ccccn1 ZINC000020995881 195264597 /nfs/dbraw/zinc/26/45/97/195264597.db2.gz FVBMPPBRQDZKNI-UHFFFAOYSA-N 1 1 479.584 3.835 50 0 JHAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1 ZINC000021040153 195270747 /nfs/dbraw/zinc/27/07/47/195270747.db2.gz UAHFFTYFDVZGFK-UHFFFAOYSA-N 1 1 493.583 3.526 50 0 JHAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1 ZINC000021040153 195270749 /nfs/dbraw/zinc/27/07/49/195270749.db2.gz UAHFFTYFDVZGFK-UHFFFAOYSA-N 1 1 493.583 3.526 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C[S@](=O)Cc1nc(-c2ccc(OC)c(OC)c2)oc1C ZINC000102801049 130310243 /nfs/dbraw/zinc/31/02/43/130310243.db2.gz VBJFEHIABHLBAK-JJVXONKQSA-N 1 1 491.654 3.687 50 0 JHAAMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2C1 ZINC000022699033 519691152 /nfs/dbraw/zinc/69/11/52/519691152.db2.gz FHWPMIDWFWJYMD-UHFFFAOYSA-N 1 1 462.641 3.583 50 0 JHAAMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2C1 ZINC000022699033 519691153 /nfs/dbraw/zinc/69/11/53/519691153.db2.gz FHWPMIDWFWJYMD-UHFFFAOYSA-N 1 1 462.641 3.583 50 0 JHAAMO CCOC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036304376 520091448 /nfs/dbraw/zinc/09/14/48/520091448.db2.gz LZZBEROIRKAIOK-QFIPXVFZSA-N 1 1 469.582 3.827 50 0 JHAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036304376 520091454 /nfs/dbraw/zinc/09/14/54/520091454.db2.gz LZZBEROIRKAIOK-QFIPXVFZSA-N 1 1 469.582 3.827 50 0 JHAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@@H](O)COCC(C)C ZINC000036309952 520318291 /nfs/dbraw/zinc/31/82/91/520318291.db2.gz ARFKNZJTKKSPEL-GGAORHGYSA-N 1 1 474.667 3.917 50 0 JHAAMO CCC[C@@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036310160 520797795 /nfs/dbraw/zinc/79/77/95/520797795.db2.gz FZCWRTHGQAJSSU-OFNKIYASSA-N 1 1 478.630 3.892 50 0 JHAAMO CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CC[NH+](Cc2ccc(OC)c(OC)c2Cl)CC3)CC1 ZINC000014991930 520930072 /nfs/dbraw/zinc/93/00/72/520930072.db2.gz UYQKCYOMQKMUHI-LJQANCHMSA-N 1 1 494.032 3.696 50 0 JHAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](CCN1CCOCC1)C[C@H](O)Cc1ccccc1 ZINC000036208271 520936150 /nfs/dbraw/zinc/93/61/50/520936150.db2.gz JBTOIIJXCDPDHD-AREMUKBSSA-N 1 1 492.664 3.926 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@@H](O)COCC ZINC000036309230 521537673 /nfs/dbraw/zinc/53/76/73/521537673.db2.gz DXUYJOQAAKCDIC-IRLDBZIGSA-N 1 1 460.640 3.671 50 0 JHAAMO CCOC(=O)c1cnn(-c2ccc(C)cc2)c1CN1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000012245359 521578338 /nfs/dbraw/zinc/57/83/38/521578338.db2.gz QCOCNDIJMYZSOO-NRFANRHFSA-N 1 1 482.625 3.597 50 0 JHAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@H](O)COCc1ccccc1 ZINC000036151009 521679675 /nfs/dbraw/zinc/67/96/75/521679675.db2.gz XSIKBNCWALNVTE-DEOSSOPVSA-N 1 1 465.594 3.968 50 0 JHAAMO CC[C@@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000004762788 522305895 /nfs/dbraw/zinc/30/58/95/522305895.db2.gz INDJOAMIQUHIKA-WTHKRRKVSA-N 1 1 474.665 3.811 50 0 JHAAMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1OC(F)F ZINC000016050437 522353508 /nfs/dbraw/zinc/35/35/08/522353508.db2.gz BBRPODFVGRPIHE-MRXNPFEDSA-N 1 1 497.564 3.540 50 0 JHAAMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1OC(F)F ZINC000016050437 522353522 /nfs/dbraw/zinc/35/35/22/522353522.db2.gz BBRPODFVGRPIHE-MRXNPFEDSA-N 1 1 497.564 3.540 50 0 JHAAMO COc1cc(C[C@@]2(CCC(=O)N3CCC[N@H+](Cc4cccc(F)c4)CC3)CCC(=O)N2)ccc1F ZINC000014883938 522504197 /nfs/dbraw/zinc/50/41/97/522504197.db2.gz ZRTUSTSFZFFKIF-MHZLTWQESA-N 1 1 485.575 3.679 50 0 JHAAMO COc1cc(C[C@@]2(CCC(=O)N3CCC[N@@H+](Cc4cccc(F)c4)CC3)CCC(=O)N2)ccc1F ZINC000014883938 522504207 /nfs/dbraw/zinc/50/42/07/522504207.db2.gz ZRTUSTSFZFFKIF-MHZLTWQESA-N 1 1 485.575 3.679 50 0 JHAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](CCOC)C[C@@H](O)COC ZINC000036303090 522638576 /nfs/dbraw/zinc/63/85/76/522638576.db2.gz WZKYKHCTBFJUKF-JOCHJYFZSA-N 1 1 453.583 3.991 50 0 JHAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](CCOC)C[C@@H](O)COC ZINC000036303090 522638583 /nfs/dbraw/zinc/63/85/83/522638583.db2.gz WZKYKHCTBFJUKF-JOCHJYFZSA-N 1 1 453.583 3.991 50 0 JHAAMO C[N@@H+](CCNC(=O)C1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1)Cc1ccccc1 ZINC000021714276 522844149 /nfs/dbraw/zinc/84/41/49/522844149.db2.gz PLNIYFGBMTXDOL-UHFFFAOYSA-N 1 1 453.974 3.855 50 0 JHAAMO C[N@@H+](CCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)C1CCCCC1 ZINC000033131378 522860602 /nfs/dbraw/zinc/86/06/02/522860602.db2.gz YDGGDVQCBHIZIT-UHFFFAOYSA-N 1 1 456.052 3.899 50 0 JHAAMO CCn1c(C)cc(O)c([C@@H](c2cccc(OC)c2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022696897 523138912 /nfs/dbraw/zinc/13/89/12/523138912.db2.gz JSFDBKQWARFDDV-RUZDIDTESA-N 1 1 451.542 3.942 50 0 JHAAMO CCn1c(C)cc(O)c([C@H](c2ccccc2OC)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022696942 523140842 /nfs/dbraw/zinc/14/08/42/523140842.db2.gz ANPYHIDZXYBDGP-VWLOTQADSA-N 1 1 451.542 3.942 50 0 JHAAMO C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)C1CCN(c2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000014889621 523507689 /nfs/dbraw/zinc/50/76/89/523507689.db2.gz BPLFPJHHCQNUKM-UHFFFAOYSA-N 1 1 477.584 3.585 50 0 JHAAMO CN(c1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(C)(=O)=O ZINC000016188834 523655086 /nfs/dbraw/zinc/65/50/86/523655086.db2.gz VLROADGVSSFKKO-UHFFFAOYSA-N 1 1 463.603 3.630 50 0 JHAAMO 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CCN(CC)C(=O)[C@H]1CCC[N@H+]([C@H]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)C1 ZINC000012134264 555912804 /nfs/dbraw/zinc/91/28/04/555912804.db2.gz VQGJWSVKQKWFJU-HKUYNNGSSA-N 1 1 464.006 3.530 50 0 JHAAMO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000015548208 555914814 /nfs/dbraw/zinc/91/48/14/555914814.db2.gz PNSRDTAROAOJGO-QHCPKHFHSA-N 1 1 457.596 3.645 50 0 JHAAMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000015548208 555914816 /nfs/dbraw/zinc/91/48/16/555914816.db2.gz PNSRDTAROAOJGO-QHCPKHFHSA-N 1 1 457.596 3.645 50 0 JHAAMO CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2cc(OC)ccc2s1 ZINC000012140892 555920159 /nfs/dbraw/zinc/92/01/59/555920159.db2.gz UTOCJIMKMUHMCH-UHFFFAOYSA-N 1 1 475.636 3.844 50 0 JHAAMO CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccc3ncccc3c1)CC2 ZINC000012247869 555947018 /nfs/dbraw/zinc/94/70/18/555947018.db2.gz FXDKJOPHHCKALJ-QFIPXVFZSA-N 1 1 458.566 3.995 50 0 JHAAMO C[C@H](CNC(=O)c1ccc(F)cc1)Oc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000022853542 555960284 /nfs/dbraw/zinc/96/02/84/555960284.db2.gz UWCKYWIZDKVBEM-OAQYLSRUSA-N 1 1 462.569 3.736 50 0 JHAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N[C@H](C)CCc4ccco4)CC3)n2)cc1OC ZINC000015726449 555965125 /nfs/dbraw/zinc/96/51/25/555965125.db2.gz XAMCMRWDBPCEAA-QGZVFWFLSA-N 1 1 468.554 3.696 50 0 JHAAMO O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908020 555965238 /nfs/dbraw/zinc/96/52/38/555965238.db2.gz KFXDNOZGJZGRFE-OAQYLSRUSA-N 1 1 453.995 3.934 50 0 JHAAMO O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908020 555965239 /nfs/dbraw/zinc/96/52/39/555965239.db2.gz KFXDNOZGJZGRFE-OAQYLSRUSA-N 1 1 453.995 3.934 50 0 JHAAMO O=C(CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCCC2)Nc1cccc2ccccc21 ZINC000022909269 555967174 /nfs/dbraw/zinc/96/71/74/555967174.db2.gz RCDWHGPEPYAJSR-UHFFFAOYSA-N 1 1 492.645 3.728 50 0 JHAAMO Cc1cc(C)c(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCCC3)c(C)c1 ZINC000022909300 555967226 /nfs/dbraw/zinc/96/72/26/555967226.db2.gz QZLYGHRYSCRBNS-UHFFFAOYSA-N 1 1 484.666 3.500 50 0 JHAAMO COc1ccc(CN2CC[NH+](CCOc3ccc(Br)cc3C)CC2)c(OC)c1OC ZINC000022942856 555993063 /nfs/dbraw/zinc/99/30/63/555993063.db2.gz PLIUFHBUVCRHOQ-UHFFFAOYSA-N 1 1 479.415 3.980 50 0 JHAAMO CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)Cc1ccc(OC)c(OC)c1 ZINC000022972300 555994430 /nfs/dbraw/zinc/99/44/30/555994430.db2.gz CHOJDYQUMUTJMC-HXUWFJFHSA-N 1 1 465.472 3.832 50 0 JHAAMO CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)Cc1ccc(OC)c(OC)c1 ZINC000022972300 555994434 /nfs/dbraw/zinc/99/44/34/555994434.db2.gz CHOJDYQUMUTJMC-HXUWFJFHSA-N 1 1 465.472 3.832 50 0 JHAAMO CCn1c2c(nc(CCC(=O)NCCC[N@@H+](C)C3CCCCC3)c1=O)c(C)nn2-c1ccccc1 ZINC000015780040 555998750 /nfs/dbraw/zinc/99/87/50/555998750.db2.gz GAWCRQSRRSFKLE-UHFFFAOYSA-N 1 1 478.641 3.614 50 0 JHAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000015782692 556000992 /nfs/dbraw/zinc/00/09/92/556000992.db2.gz LKYJCEXTWBFNRF-NRFANRHFSA-N 1 1 475.420 3.593 50 0 JHAAMO CC(C)(C)c1ccc(C(=O)N(CC(=O)N2CCNCC2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000015864142 556038923 /nfs/dbraw/zinc/03/89/23/556038923.db2.gz WSEGSMDQFNJHMN-UHFFFAOYSA-N 1 1 476.665 3.523 50 0 JHAAMO COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000015881265 556053085 /nfs/dbraw/zinc/05/30/85/556053085.db2.gz CNBBIVONFSUQGJ-UHFFFAOYSA-N 1 1 480.568 3.789 50 0 JHAAMO COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)ccc1C ZINC000015918958 556066422 /nfs/dbraw/zinc/06/64/22/556066422.db2.gz VFTKFPCIPGMPKX-QFIPXVFZSA-N 1 1 467.591 3.837 50 0 JHAAMO O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21)NCCC[NH+]1CCOCC1 ZINC000015935292 556073172 /nfs/dbraw/zinc/07/31/72/556073172.db2.gz ZFHCUGHHYRUNLH-CJLVFECKSA-N 1 1 472.010 3.658 50 0 JHAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SC[C@@H]1C[N@@H+](CC(C)C)CCO1)n2CC ZINC000023866365 556094906 /nfs/dbraw/zinc/09/49/06/556094906.db2.gz OVTNGSWOTAHZTP-SFHVURJKSA-N 1 1 468.689 3.536 50 0 JHAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015990379 556102540 /nfs/dbraw/zinc/10/25/40/556102540.db2.gz FHIXKGYRGKAFAC-VKDGWMQASA-N 1 1 469.463 3.551 50 0 JHAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016010293 556109856 /nfs/dbraw/zinc/10/98/56/556109856.db2.gz VJYHLEUEKVPNLU-CMCWBKRRSA-N 1 1 470.356 3.987 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016012034 556110944 /nfs/dbraw/zinc/11/09/44/556110944.db2.gz ROCOQYPETNYMGR-DDOIHHOZSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016012034 556110948 /nfs/dbraw/zinc/11/09/48/556110948.db2.gz ROCOQYPETNYMGR-DDOIHHOZSA-N 1 1 456.329 3.733 50 0 JHAAMO CN(CC(=O)N1CC[NH+](C)CC1)c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC000023989406 556113194 /nfs/dbraw/zinc/11/31/94/556113194.db2.gz DBHDUBCJVJDBNX-UHFFFAOYSA-N 1 1 458.591 3.631 50 0 JHAAMO CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC000025862145 556237577 /nfs/dbraw/zinc/23/75/77/556237577.db2.gz HNYQQIVFOLJSQV-OAHLLOKOSA-N 1 1 482.002 3.558 50 0 JHAAMO CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC000025862145 556237581 /nfs/dbraw/zinc/23/75/81/556237581.db2.gz HNYQQIVFOLJSQV-OAHLLOKOSA-N 1 1 482.002 3.558 50 0 JHAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)C1 ZINC000027146736 556274736 /nfs/dbraw/zinc/27/47/36/556274736.db2.gz JJNUAKCOHHUXKY-ULCRDSCMSA-N 1 1 453.627 3.928 50 0 JHAAMO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccc(F)cc3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000028631961 556338288 /nfs/dbraw/zinc/33/82/88/556338288.db2.gz AZLVOQPLQTYSJF-VWLOTQADSA-N 1 1 480.584 3.547 50 0 JHAAMO Cc1nn(Cc2ccccc2Cl)c(C)c1[C@H]1NC(=[NH2+])Nc2nc3cc4c(cc3n21)OCCCO4 ZINC000019354100 556344038 /nfs/dbraw/zinc/34/40/38/556344038.db2.gz IEMCVJRLKHTGEZ-QFIPXVFZSA-N 1 1 477.956 3.809 50 0 JHAAMO O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013127897 556344825 /nfs/dbraw/zinc/34/48/25/556344825.db2.gz ZXUDCPCPUCPLEV-UHFFFAOYSA-N 1 1 480.612 3.916 50 0 JHAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc2F)cc1 ZINC000019794907 556373908 /nfs/dbraw/zinc/37/39/08/556373908.db2.gz DLDRGZMJEPRBQE-UHFFFAOYSA-N 1 1 481.593 3.674 50 0 JHAAMO CCOc1cc(CNC[C@H](Cc2ccccc2)[NH+](CC)CC)ccc1O[C@H](C)C(=O)N(C)C ZINC000030902912 556387666 /nfs/dbraw/zinc/38/76/66/556387666.db2.gz YAXBBGQWVRKGLH-QPPBQGQZSA-N 1 1 455.643 3.984 50 0 JHAAMO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000032819199 556503794 /nfs/dbraw/zinc/50/37/94/556503794.db2.gz KZWUHSHPBDAPCJ-JOCHJYFZSA-N 1 1 478.420 3.896 50 0 JHAAMO CCC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2ccc(Cl)cc2)cn3C)CC1 ZINC000008596818 562944638 /nfs/dbraw/zinc/94/46/38/562944638.db2.gz ZDALKIXGZBKWCE-UHFFFAOYSA-N 1 1 477.989 3.696 50 0 JHAAMO COCCn1c(C)cc(O)c([C@@H](c2ccccc2F)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000008611788 562947786 /nfs/dbraw/zinc/94/77/86/562947786.db2.gz ABRJCFLYQFDVGE-RUZDIDTESA-N 1 1 451.542 3.559 50 0 aggregator JHAAMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc2)cc1 ZINC000062716132 569614486 /nfs/dbraw/zinc/61/44/86/569614486.db2.gz XWGVOLSJJYQQDV-SANMLTNESA-N 1 1 479.602 3.797 50 0 JHAAMO CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)cc1 ZINC000064801934 569631503 /nfs/dbraw/zinc/63/15/03/569631503.db2.gz QQWYACDHZLUWDW-UHFFFAOYSA-N 1 1 469.567 3.565 50 0 JHAAMO COc1ccc(CC(=O)N2C[C@@H](C[NH+]3CCOCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000034697946 569647700 /nfs/dbraw/zinc/64/77/00/569647700.db2.gz NNRBZFQAOWCSQL-NFBKMPQASA-N 1 1 462.512 3.831 50 0 JHAAMO Cc1cccc([C@@H]2C[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CN(C(=O)NC(C)C)C2)c1 ZINC000034710958 569650775 /nfs/dbraw/zinc/65/07/75/569650775.db2.gz ABJUUFKESXROPK-CLJLJLNGSA-N 1 1 462.638 3.863 50 0 JHAAMO Nc1c(NC(=O)NCCC[NH+]2CCOCC2)c(-c2ccc(Cl)cc2)nn1Cc1ccccc1 ZINC000034785466 569659296 /nfs/dbraw/zinc/65/92/96/569659296.db2.gz NJGHUIDGINQLLU-UHFFFAOYSA-N 1 1 468.989 3.678 50 0 JHAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000034787725 569659779 /nfs/dbraw/zinc/65/97/79/569659779.db2.gz KLYUDJRVUHFXFM-MUUNZHRXSA-N 1 1 489.641 3.754 50 0 JHAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000034787725 569659780 /nfs/dbraw/zinc/65/97/80/569659780.db2.gz KLYUDJRVUHFXFM-MUUNZHRXSA-N 1 1 489.641 3.754 50 0 JHAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccco2)[C@H](C)C1 ZINC000034829813 569663363 /nfs/dbraw/zinc/66/33/63/569663363.db2.gz JKLTZGFDYXEDGE-CLOONOSVSA-N 1 1 463.603 3.970 50 0 JHAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccco2)[C@H](C)C1 ZINC000034829813 569663364 /nfs/dbraw/zinc/66/33/64/569663364.db2.gz JKLTZGFDYXEDGE-CLOONOSVSA-N 1 1 463.603 3.970 50 0 JHAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000034829982 569663537 /nfs/dbraw/zinc/66/35/37/569663537.db2.gz UFPWEYKBJUVCDC-IBVKSMDESA-N 1 1 495.670 3.617 50 0 JHAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000034829982 569663539 /nfs/dbraw/zinc/66/35/39/569663539.db2.gz UFPWEYKBJUVCDC-IBVKSMDESA-N 1 1 495.670 3.617 50 0 JHAAMO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)cc1 ZINC000035362710 569682383 /nfs/dbraw/zinc/68/23/83/569682383.db2.gz FXIQCOHRDJGWKT-DFBJGRDBSA-N 1 1 483.586 3.939 50 0 JHAAMO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)cc1 ZINC000035362710 569682384 /nfs/dbraw/zinc/68/23/84/569682384.db2.gz FXIQCOHRDJGWKT-DFBJGRDBSA-N 1 1 483.586 3.939 50 0 JHAAMO CCc1ccc(CNC(=O)C[NH+]2CCC3(CC2)NC(c2ccc(OC(F)(F)F)cc2)=NO3)cc1 ZINC000067317648 569686868 /nfs/dbraw/zinc/68/68/68/569686868.db2.gz ATUDNUSQZOUJNC-UHFFFAOYSA-N 1 1 476.499 3.538 50 0 JHAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)ccn1 ZINC000071813613 569698596 /nfs/dbraw/zinc/69/85/96/569698596.db2.gz JLUNSOJKQHBXFW-JOCHJYFZSA-N 1 1 453.546 3.898 50 0 JHAAMO CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NC[C@H]3CC[N@@H+](Cc4ccc(C)cc4)C3)n2C)c1 ZINC000035561113 569704302 /nfs/dbraw/zinc/70/43/02/569704302.db2.gz TZHCKHJOLOUNDE-JOCHJYFZSA-N 1 1 496.677 3.769 50 0 JHAAMO COc1ccc2cc(C(=O)N3CCC(CC(=O)NCCC[N@H+]4CCc5ccccc5C4)CC3)[nH]c2c1 ZINC000035562000 569704590 /nfs/dbraw/zinc/70/45/90/569704590.db2.gz ZRVYXQBINZQXRY-UHFFFAOYSA-N 1 1 488.632 3.983 50 0 JHAAMO CC(=O)N1c2ccc(S(=O)(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2C[C@H]1C ZINC000084718080 569709497 /nfs/dbraw/zinc/70/94/97/569709497.db2.gz BYGVSVASKWGEMI-MRXNPFEDSA-N 1 1 462.015 3.580 50 0 JHAAMO COC[C@@H](C)n1c(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nnc1-c1cccc(OC)c1 ZINC000085410486 569710528 /nfs/dbraw/zinc/71/05/28/569710528.db2.gz LQYCWUDGSUVLCJ-LJQANCHMSA-N 1 1 495.649 3.841 50 0 JHAAMO COCCC[N@H+](Cc1cccn1Cc1cccc(F)c1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000035840834 569713972 /nfs/dbraw/zinc/71/39/72/569713972.db2.gz BIGPQOOPSPICRG-XMMPIXPASA-N 1 1 456.558 3.963 50 0 JHAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@H]1c1cc(OC)cc(OC)c1 ZINC000035991016 569744204 /nfs/dbraw/zinc/74/42/04/569744204.db2.gz XHVHCQMJAMZYAI-DEOSSOPVSA-N 1 1 467.566 3.739 50 0 JHAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@H]1c1cc(OC)cc(OC)c1 ZINC000035991016 569744205 /nfs/dbraw/zinc/74/42/05/569744205.db2.gz XHVHCQMJAMZYAI-DEOSSOPVSA-N 1 1 467.566 3.739 50 0 JHAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1 ZINC000036249683 569757995 /nfs/dbraw/zinc/75/79/95/569757995.db2.gz QNUQYWWMGQMPPK-NRFANRHFSA-N 1 1 473.545 3.698 50 0 JHAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1 ZINC000036249683 569757996 /nfs/dbraw/zinc/75/79/96/569757996.db2.gz QNUQYWWMGQMPPK-NRFANRHFSA-N 1 1 473.545 3.698 50 0 JHAAMO COc1cccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036342276 569765648 /nfs/dbraw/zinc/76/56/48/569765648.db2.gz AGXIRJILKNRUJN-QHCPKHFHSA-N 1 1 469.969 3.865 50 0 JHAAMO Cc1ccc(C)c([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000036342661 569766101 /nfs/dbraw/zinc/76/61/01/569766101.db2.gz XYQHVRMLVAYESH-XMMPIXPASA-N 1 1 451.542 3.959 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343390 569766397 /nfs/dbraw/zinc/76/63/97/569766397.db2.gz LIJNMDQLLDMOCL-BWKNWUBXSA-N 1 1 493.604 3.965 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343390 569766398 /nfs/dbraw/zinc/76/63/98/569766398.db2.gz LIJNMDQLLDMOCL-BWKNWUBXSA-N 1 1 493.604 3.965 50 0 JHAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000036345902 569768380 /nfs/dbraw/zinc/76/83/80/569768380.db2.gz NTLJCHXWMDBBKM-VWLOTQADSA-N 1 1 476.621 3.939 50 0 JHAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000036345902 569768381 /nfs/dbraw/zinc/76/83/81/569768381.db2.gz NTLJCHXWMDBBKM-VWLOTQADSA-N 1 1 476.621 3.939 50 0 JHAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC ZINC000036346690 569770641 /nfs/dbraw/zinc/77/06/41/569770641.db2.gz UMSMTZOJEFNCHY-OAQYLSRUSA-N 1 1 461.509 3.707 50 0 JHAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC ZINC000036346690 569770642 /nfs/dbraw/zinc/77/06/42/569770642.db2.gz UMSMTZOJEFNCHY-OAQYLSRUSA-N 1 1 461.509 3.707 50 0 JHAAMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)NCCc4ccc(F)cc4)CC3)n2)cc1 ZINC000036394912 569774884 /nfs/dbraw/zinc/77/48/84/569774884.db2.gz FKQVPKVNWWPWNY-UHFFFAOYSA-N 1 1 451.546 3.687 50 0 JHAAMO CC(C)CC(=O)N(CCC[NH+]1CCOCC1)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000037380972 569784954 /nfs/dbraw/zinc/78/49/54/569784954.db2.gz ZXKBRGSIQKEQDQ-UHFFFAOYSA-N 1 1 468.520 3.895 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(C)n3-c3ccc(OC)cc3)cc2)CC1 ZINC000037398826 569787360 /nfs/dbraw/zinc/78/73/60/569787360.db2.gz QZKWOMLFIOYDAT-UHFFFAOYSA-N 1 1 451.596 3.654 50 0 JHAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344822 569793904 /nfs/dbraw/zinc/79/39/04/569793904.db2.gz WTKCPNVPSAMAJS-CROMWVBPSA-N 1 1 456.329 3.733 50 0 JHAAMO O=C(c1cccs1)N1CCO[C@@H](C[N@@H+]2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000037611630 569799275 /nfs/dbraw/zinc/79/92/75/569799275.db2.gz DTEPKPVKWXTIDZ-QHCPKHFHSA-N 1 1 463.603 3.590 50 0 JHAAMO O=C(c1cccs1)N1CCO[C@@H](C[N@H+]2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000037611630 569799276 /nfs/dbraw/zinc/79/92/76/569799276.db2.gz DTEPKPVKWXTIDZ-QHCPKHFHSA-N 1 1 463.603 3.590 50 0 JHAAMO O=C(Nc1ccccc1)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)CC1 ZINC000101490910 569799875 /nfs/dbraw/zinc/79/98/75/569799875.db2.gz OWAJWXGMESTMHF-LJQANCHMSA-N 1 1 461.440 3.568 50 0 JHAAMO COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCCC[NH+]4CCC(C)CC4)c3=O)c2c1 ZINC000101497512 569800780 /nfs/dbraw/zinc/80/07/80/569800780.db2.gz MRPZCBWOTJRNOG-UHFFFAOYSA-N 1 1 485.654 3.957 50 0 JHAAMO COc1ccccc1[C@@H]1C[N@H+](CCNC(=O)[C@@H](c2cccnc2)N2CCCC2)Cc2ccccc2O1 ZINC000039413207 569809718 /nfs/dbraw/zinc/80/97/18/569809718.db2.gz SLJCRELKIUPRBY-WUFINQPMSA-N 1 1 486.616 3.979 50 0 JHAAMO COc1ccccc1[C@@H]1C[N@@H+](CCNC(=O)[C@@H](c2cccnc2)N2CCCC2)Cc2ccccc2O1 ZINC000039413207 569809719 /nfs/dbraw/zinc/80/97/19/569809719.db2.gz SLJCRELKIUPRBY-WUFINQPMSA-N 1 1 486.616 3.979 50 0 JHAAMO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CC[N@H+]1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000102738677 569818980 /nfs/dbraw/zinc/81/89/80/569818980.db2.gz AVHQSUKHXDQQSC-GOSISDBHSA-N 1 1 464.566 3.811 50 0 JHAAMO CCC1=C(C(=O)OC)[C@H](c2ccccc2)N2C(CC(=O)NCC[C@H]3CCC[N@H+]3C)=CSC2=N1 ZINC000102940744 569829468 /nfs/dbraw/zinc/82/94/68/569829468.db2.gz LUAGUDCSDBTRAV-JPYJTQIMSA-N 1 1 468.623 3.815 50 0 JHAAMO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](CC)CC3)N2[C@@H]1c1ccc(C)cc1C ZINC000103297372 569834439 /nfs/dbraw/zinc/83/44/39/569834439.db2.gz OMFNKUDMBPYZGT-XMMPIXPASA-N 1 1 482.650 3.996 50 0 JHAAMO Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)CC[N@@H+]2Cc3ccccc3O[C@@H](c3ccccc3)C2)C1 ZINC000104360976 569845265 /nfs/dbraw/zinc/84/52/65/569845265.db2.gz TZDWTPRZPSGLDV-UKILVPOCSA-N 1 1 472.589 3.867 50 0 JHAAMO COC[C@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1 ZINC000105004036 569849722 /nfs/dbraw/zinc/84/97/22/569849722.db2.gz ASSOXEGVBQNBGJ-QPPBQGQZSA-N 1 1 474.667 3.917 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)COCC ZINC000105004994 569849861 /nfs/dbraw/zinc/84/98/61/569849861.db2.gz GKVVRBBSLNSRGE-SIKLNZKXSA-N 1 1 464.603 3.501 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105009543 569850464 /nfs/dbraw/zinc/85/04/64/569850464.db2.gz BPMLXUXMNBTWDY-YADARESESA-N 1 1 497.567 3.796 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105009543 569850465 /nfs/dbraw/zinc/85/04/65/569850465.db2.gz BPMLXUXMNBTWDY-YADARESESA-N 1 1 497.567 3.796 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000105010255 569850541 /nfs/dbraw/zinc/85/05/41/569850541.db2.gz VWVRUHJISYNBPY-FYYLOGMGSA-N 1 1 477.561 3.677 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000105010255 569850542 /nfs/dbraw/zinc/85/05/42/569850542.db2.gz VWVRUHJISYNBPY-FYYLOGMGSA-N 1 1 477.561 3.677 50 0 JHAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000106806111 569855813 /nfs/dbraw/zinc/85/58/13/569855813.db2.gz YWNYZYIBJDIZLN-AMZZYFJHSA-N 1 1 451.526 3.888 50 0 JHAAMO CC(C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677260 569868568 /nfs/dbraw/zinc/86/85/68/569868568.db2.gz NAYZNTXGXVJWJY-GMAHTHKFSA-N 1 1 461.528 3.972 50 0 JHAAMO Cc1cccc(O[C@H](C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)C(=O)NCC2CC2)c1 ZINC000245279119 570061238 /nfs/dbraw/zinc/06/12/38/570061238.db2.gz DDDBOCODFKCZRH-ZEQKJWHPSA-N 1 1 466.578 3.679 50 0 JHAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000245309073 570062867 /nfs/dbraw/zinc/06/28/67/570062867.db2.gz AODNNWZIFYOPJN-LUKWVAJMSA-N 1 1 458.514 3.542 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000245310411 570063230 /nfs/dbraw/zinc/06/32/30/570063230.db2.gz JCIZSPTVSDDPDB-POTDNYQPSA-N 1 1 479.536 3.845 50 0 JHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000245310411 570063231 /nfs/dbraw/zinc/06/32/31/570063231.db2.gz JCIZSPTVSDDPDB-POTDNYQPSA-N 1 1 479.536 3.845 50 0 JHAAMO CC(C)OC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC1CC1 ZINC000245330316 570066587 /nfs/dbraw/zinc/06/65/87/570066587.db2.gz XPQDTYLTAXJNPG-XUZZJYLKSA-N 1 1 490.641 3.890 50 0 JHAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O ZINC000248342853 570078228 /nfs/dbraw/zinc/07/82/28/570078228.db2.gz YWKFYZTUKJPRKV-FVUXPIOYSA-N 1 1 479.964 3.705 50 0 JHAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000249694569 570078665 /nfs/dbraw/zinc/07/86/65/570078665.db2.gz PEGRHPCEDBXBQM-DELVEFKNSA-N 1 1 451.526 3.685 50 0 JHAAMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](C[C@@H]1C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@@H](O)[C@@H]31)CC2 ZINC000252694453 570094793 /nfs/dbraw/zinc/09/47/93/570094793.db2.gz KVFNXTACKHFLKO-BYDZIQJJSA-N 1 1 455.595 3.908 50 0 biogenic JHAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000253403438 570096901 /nfs/dbraw/zinc/09/69/01/570096901.db2.gz HEAQAKCUWTVONM-NFCJYOSASA-N 1 1 486.616 3.914 50 0 biogenic JHAAMO CC(C)c1c(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cnn1-c1nccc(-c2ccco2)n1 ZINC000299789433 570177077 /nfs/dbraw/zinc/17/70/77/570177077.db2.gz WXQKXQXMJANYFK-UHFFFAOYSA-N 1 1 478.597 3.811 50 0 JHAAMO CCc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000003670364 194358044 /nfs/dbraw/zinc/35/80/44/194358044.db2.gz XRCZQIGMPRVZSP-HHHXNRCGSA-N 1 1 458.562 3.694 50 0 JHAAMO COc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@@H+](C)C3CCCCCC3)C2=O)cc1OC ZINC000009912143 195021941 /nfs/dbraw/zinc/02/19/41/195021941.db2.gz PRWKPVNYKXIYQX-QNGOZBTKSA-N 1 1 475.611 3.511 50 0 JHAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009961033 195039374 /nfs/dbraw/zinc/03/93/74/195039374.db2.gz STDCQTGISWTTRR-QFIPXVFZSA-N 1 1 459.612 3.801 50 0 JHAAMO C[C@H](CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000012729691 195098363 /nfs/dbraw/zinc/09/83/63/195098363.db2.gz PYGUYWZTXBWZKW-OAQYLSRUSA-N 1 1 484.666 3.745 50 0 JHAAMO CC(C)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000012780226 195123986 /nfs/dbraw/zinc/12/39/86/195123986.db2.gz RNUIUUBQWNJVBB-PPXNOBOXSA-N 1 1 464.031 3.674 50 0 JHAAMO COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000020736188 195213013 /nfs/dbraw/zinc/21/30/13/195213013.db2.gz UELJKDREXHGFLB-DIBXZPPDSA-N 1 1 483.568 3.806 50 0 JHAAMO CCN1CC[NH+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2)S3)CC1 ZINC000020737253 195213677 /nfs/dbraw/zinc/21/36/77/195213677.db2.gz ZTLHMWDMNVYRNZ-QJOMJCCJSA-N 1 1 450.608 3.529 50 0 JHAAMO Brc1ccc(-c2ccc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)nn2)cc1 ZINC000020738117 195214008 /nfs/dbraw/zinc/21/40/08/195214008.db2.gz HVNAXUIROLIPPY-UHFFFAOYSA-N 1 1 453.340 3.957 50 0 JHAAMO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000020760198 195217606 /nfs/dbraw/zinc/21/76/06/195217606.db2.gz XDVGEPILKNMMNB-CCPXWOOUSA-N 1 1 490.563 3.766 50 0 biogenic JHAAMO O=C(CCc1nnc2ccc(NCc3ccc(Cl)cc3)nn21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021024130 195268711 /nfs/dbraw/zinc/26/87/11/195268711.db2.gz JTGUTDWGCSBVTP-UHFFFAOYSA-N 1 1 490.011 3.667 50 0 JHAAMO COc1cc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccc(OC)c(OC)c2OC)C3)cc(OC)c1 ZINC000021038793 195270288 /nfs/dbraw/zinc/27/02/88/195270288.db2.gz OGKUZHHSEFJRBW-UHFFFAOYSA-N 1 1 466.538 3.822 50 0 JHAAMO COc1cc(Nc2ncc3c(n2)CC[N@H+](Cc2ccc(OC)c(OC)c2OC)C3)cc(OC)c1 ZINC000021038793 195270290 /nfs/dbraw/zinc/27/02/90/195270290.db2.gz OGKUZHHSEFJRBW-UHFFFAOYSA-N 1 1 466.538 3.822 50 0 JHAAMO COc1ccccc1[C@H](CNC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)[NH+](C)C ZINC000021333687 195294733 /nfs/dbraw/zinc/29/47/33/195294733.db2.gz ZMPWEXARECRAKV-DTKKNGCVSA-N 1 1 485.650 3.692 50 0 JHAAMO C[N@@H+](CCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1)Cc1ccccc1 ZINC000021527868 195306271 /nfs/dbraw/zinc/30/62/71/195306271.db2.gz LFSSXRYXGCKLOZ-UHFFFAOYSA-N 1 1 465.557 3.559 50 0 JHAAMO COc1ccc(-c2noc(N3CCC(C(=O)NC[C@@H]4CC[N@@H+](Cc5ccc(C)cc5)C4)CC3)n2)cc1 ZINC000021945034 195340279 /nfs/dbraw/zinc/34/02/79/195340279.db2.gz BDDJQYFTPZAJCN-QFIPXVFZSA-N 1 1 489.620 3.908 50 0 JHAAMO CC1=C(C(=O)NCC[NH+]2CCN(c3cc(Cl)ccc3C)CC2)C2(CCCCCC2)OC1=O ZINC000057996144 195361553 /nfs/dbraw/zinc/36/15/53/195361553.db2.gz BOKQKBWJSFAMMW-UHFFFAOYSA-N 1 1 460.018 3.853 50 0 biogenic JHAAMO C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000058135598 195365840 /nfs/dbraw/zinc/36/58/40/195365840.db2.gz KEPLPZHCFYZPAW-WDEREUQCSA-N 1 1 458.278 3.660 50 0 JHAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)C12CCCC2 ZINC000096343862 130074070 /nfs/dbraw/zinc/07/40/70/130074070.db2.gz ODHLAEZTVHTILR-AGILITTLSA-N 1 1 453.627 3.566 50 0 JHAAMO Cc1ccc(N2C(=O)C[C@@H](N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)C2=O)cc1Cl ZINC000102835436 130319843 /nfs/dbraw/zinc/31/98/43/130319843.db2.gz NAPXVNPZSRLNAS-OAQYLSRUSA-N 1 1 462.377 3.630 50 0 JHAAMO CC(C)Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1 ZINC000014879849 519438648 /nfs/dbraw/zinc/43/86/48/519438648.db2.gz AQVVUFJIQHWQHO-OAQYLSRUSA-N 1 1 461.610 3.791 50 0 JHAAMO CC(=O)N1CCCSc2ccc(S(=O)(=O)NC[C@H]3CC[N@@H+](Cc4ccc(C)cc4)C3)cc21 ZINC000064952290 519531648 /nfs/dbraw/zinc/53/16/48/519531648.db2.gz VPSVSRNOZYMTLJ-OAQYLSRUSA-N 1 1 473.664 3.644 50 0 JHAAMO CC(=O)Nc1ccc(-c2cc(C(=O)NCCC[NH+]3CCN(C)CC3)c3cc(C)ccc3n2)cc1 ZINC000033106393 519708044 /nfs/dbraw/zinc/70/80/44/519708044.db2.gz JTSYNDFRFDZPQM-UHFFFAOYSA-N 1 1 459.594 3.536 50 0 JHAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000004760313 520476460 /nfs/dbraw/zinc/47/64/60/520476460.db2.gz QBKDHDIUCUFQQE-DHIUTWEWSA-N 1 1 473.639 3.914 50 0 JHAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1c2oc(C(=O)N3CCCCC3)c(C)c2cc(C)c1C ZINC000065010677 521641189 /nfs/dbraw/zinc/64/11/89/521641189.db2.gz GEQAQTZFGJXICR-LJQANCHMSA-N 1 1 461.628 3.747 50 0 JHAAMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](CC)CC3)cc1 ZINC000022698985 521650278 /nfs/dbraw/zinc/65/02/78/521650278.db2.gz DBHFPUYIMSHTAD-UHFFFAOYSA-N 1 1 450.630 3.584 50 0 JHAAMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](CC)CC3)cc1 ZINC000022698985 521650280 /nfs/dbraw/zinc/65/02/80/521650280.db2.gz DBHFPUYIMSHTAD-UHFFFAOYSA-N 1 1 450.630 3.584 50 0 JHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CCC(C)CC2)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC000033053314 521656864 /nfs/dbraw/zinc/65/68/64/521656864.db2.gz PRJLOSOMRYVXTO-QHCPKHFHSA-N 1 1 490.714 3.558 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3nnc(COc4ccc(Cl)cc4)s3)cc2)CC1 ZINC000033027923 521670059 /nfs/dbraw/zinc/67/00/59/521670059.db2.gz XQRHOAFJQVHWJH-UHFFFAOYSA-N 1 1 485.997 3.801 50 0 JHAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCCN(c4nc5cccnc5s4)C3)cc2)CC1 ZINC000033045232 521688238 /nfs/dbraw/zinc/68/82/38/521688238.db2.gz RLKJQASXGISNSP-FQEVSTJZSA-N 1 1 464.639 3.684 50 0 JHAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000022457533 521695963 /nfs/dbraw/zinc/69/59/63/521695963.db2.gz NTRYPVBJLOOOHU-BEFAXECRSA-N 1 1 472.474 3.556 50 0 JHAAMO CC[NH+]1CCN(c2cc3c(cc2S(=O)(=O)N2CCC(C)CC2)C(=O)Nc2cc(C)ccc2O3)CC1 ZINC000064986774 521697636 /nfs/dbraw/zinc/69/76/36/521697636.db2.gz ZQXGUDRYAVDFSN-UHFFFAOYSA-N 1 1 498.649 3.916 50 0 JHAAMO CC[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971040 521839653 /nfs/dbraw/zinc/83/96/53/521839653.db2.gz DACFMWITCGCKSO-DEOSSOPVSA-N 1 1 486.620 3.788 50 0 JHAAMO COCCn1c(C)cc(O)c([C@@H](c2ccccc2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000008611709 522064087 /nfs/dbraw/zinc/06/40/87/522064087.db2.gz UVIBXARDBGFWSF-RUZDIDTESA-N 1 1 451.542 3.559 50 0 JHAAMO CC[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCCS2 ZINC000064952313 522528763 /nfs/dbraw/zinc/52/87/63/522528763.db2.gz HDQOBGDJVNSSSM-FQEVSTJZSA-N 1 1 461.653 3.724 50 0 JHAAMO C[N@@H+](CCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)Cc1ccccc1 ZINC000033131368 522860140 /nfs/dbraw/zinc/86/01/40/522860140.db2.gz WVQVHGDWBZIECX-UHFFFAOYSA-N 1 1 464.031 3.767 50 0 JHAAMO COc1cc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)cc(OC)c1OC ZINC000009291071 522932683 /nfs/dbraw/zinc/93/26/83/522932683.db2.gz HYFJQHJCUXPUEQ-RPWUZVMVSA-N 1 1 469.501 3.912 50 0 JHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000035459815 523021141 /nfs/dbraw/zinc/02/11/41/523021141.db2.gz LRGIGBSTTYMQCT-SFHVURJKSA-N 1 1 476.108 3.963 50 0 JHAAMO COC(=O)CC[C@H]1C[N@@H+](C2CCN(C)CC2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012242779 523121601 /nfs/dbraw/zinc/12/16/01/523121601.db2.gz BPVYYWZGXDENQT-GBXCKJPGSA-N 1 1 496.618 3.565 50 0 JHAAMO COC(=O)CC[C@H]1C[N@H+](C2CCN(C)CC2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012242779 523121607 /nfs/dbraw/zinc/12/16/07/523121607.db2.gz BPVYYWZGXDENQT-GBXCKJPGSA-N 1 1 496.618 3.565 50 0 JHAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@H]1N1CCOCC1 ZINC000014995296 523122097 /nfs/dbraw/zinc/12/20/97/523122097.db2.gz NWJCMBAZIWWDAF-AZGAKELHSA-N 1 1 452.595 3.742 50 0 JHAAMO COc1ccc(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@@H](O)COC(C)C)nc(=O)c23)cc1OC ZINC000036205889 523173697 /nfs/dbraw/zinc/17/36/97/523173697.db2.gz LGBCZZSDZYOVTP-GOSISDBHSA-N 1 1 489.638 3.913 50 0 JHAAMO COc1ccc(-c2csc3[nH]c(C[N@@H+](CC(C)C)C[C@@H](O)COC(C)C)nc(=O)c23)cc1OC ZINC000036205889 523173707 /nfs/dbraw/zinc/17/37/07/523173707.db2.gz LGBCZZSDZYOVTP-GOSISDBHSA-N 1 1 489.638 3.913 50 0 JHAAMO COc1ccc(C)cc1C[NH+]1CCN(CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)CC1 ZINC000022783817 523810489 /nfs/dbraw/zinc/81/04/89/523810489.db2.gz DFIZBHLOLGTFKO-PMERELPUSA-N 1 1 498.627 3.769 50 0 JHAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cn(C)nc3-c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000048236905 524026572 /nfs/dbraw/zinc/02/65/72/524026572.db2.gz CCHPNQBPIHYLNW-UHFFFAOYSA-N 1 1 476.577 3.605 50 0 JHAAMO CN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)Nc1ccc(Br)cc1F)C[C@H]1CCC[N@H+]12 ZINC000036146269 524036156 /nfs/dbraw/zinc/03/61/56/524036156.db2.gz PLFGFYKBRYRNEN-YGHRGLEHSA-N 1 1 458.331 3.883 50 0 biogenic JHAAMO Cc1cc(C)c(S(=O)(=O)N2CCN(c3nc(Nc4ccccc4)cc(C)[nH+]3)CC2)c(C)c1 ZINC000016994188 524317616 /nfs/dbraw/zinc/31/76/16/524317616.db2.gz AANPURGUMOQGNC-UHFFFAOYSA-N 1 1 451.596 3.965 50 0 JHAAMO Cc1cc(C)cc(NC(=O)N2CC[NH+](CCn3c(-c4ccncc4)nc4cccnc43)CC2)c1 ZINC000033139774 524425326 /nfs/dbraw/zinc/42/53/26/524425326.db2.gz RZOMKCTUUPNVIK-UHFFFAOYSA-N 1 1 455.566 3.960 50 0 JHAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000033045213 524736199 /nfs/dbraw/zinc/73/61/99/524736199.db2.gz VUHACOBAHNXQLY-LJQANCHMSA-N 1 1 499.084 3.808 50 0 JHAAMO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc2ccccc21 ZINC000065314987 525209646 /nfs/dbraw/zinc/20/96/46/525209646.db2.gz IRMNTTCFBGYFHQ-DEOSSOPVSA-N 1 1 479.646 3.513 50 0 JHAAMO C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1 ZINC000035485287 525288147 /nfs/dbraw/zinc/28/81/47/525288147.db2.gz KQYNNEFXSOOTEY-VHEIIQRDSA-N 1 1 466.585 3.787 50 0 biogenic JHAAMO COc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c(OC)c1 ZINC000036342487 525404379 /nfs/dbraw/zinc/40/43/79/525404379.db2.gz CYRQDWYIFLNAKZ-XMMPIXPASA-N 1 1 479.577 3.529 50 0 JHAAMO Cc1c2ccccc2oc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[NH+](C)CC1 ZINC000014868665 525980583 /nfs/dbraw/zinc/98/05/83/525980583.db2.gz ZIFVDAARKPARHU-UHFFFAOYSA-N 1 1 496.633 3.920 50 0 JHAAMO Cc1c2cnn(CC(=O)NCCC[N@H+](C)C3CCCCC3)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417591 525994175 /nfs/dbraw/zinc/99/41/75/525994175.db2.gz ZKHNGBACCYAMSG-UHFFFAOYSA-N 1 1 481.616 3.773 50 0 JHAAMO COc1cccc(C[C@]2(C3CC[NH+](Cc4nccs4)CC3)NC(=O)N(C3CCCC3)C2=O)c1 ZINC000014882059 526080198 /nfs/dbraw/zinc/08/01/98/526080198.db2.gz UEFDECJQVVRVLZ-RUZDIDTESA-N 1 1 468.623 3.840 50 0 JHAAMO Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCOCC2)n3C)c1 ZINC000020518639 526248038 /nfs/dbraw/zinc/24/80/38/526248038.db2.gz FQOAITCRXVVOSR-UHFFFAOYSA-N 1 1 450.583 3.897 50 0 JHAAMO O=C(CCCc1cccs1)N1CCOc2ccc(C[NH+]3CCN(c4ncccn4)CC3)cc2C1 ZINC000014977053 526462299 /nfs/dbraw/zinc/46/22/99/526462299.db2.gz FKNYKUNFFWBJKZ-UHFFFAOYSA-N 1 1 477.634 3.604 50 0 JHAAMO O=C([C@@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035513116 526470444 /nfs/dbraw/zinc/47/04/44/526470444.db2.gz UBPZDQCIBVBPBT-HSZRJFAPSA-N 1 1 459.569 3.844 50 0 JHAAMO c1ccc(N2CC[NH+](Cc3ccc4c(c3)CN(Cc3cccc5c3OCO5)CCO4)CC2)nc1 ZINC000020472636 526481535 /nfs/dbraw/zinc/48/15/35/526481535.db2.gz WWYFQWNKARKEOH-UHFFFAOYSA-N 1 1 458.562 3.527 50 0 JHAAMO O=C([C@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035483045 526539429 /nfs/dbraw/zinc/53/94/29/526539429.db2.gz ACEARZTYPJCQNL-QHCPKHFHSA-N 1 1 459.569 3.844 50 0 JHAAMO O=C1C[C@H](N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000022807749 527028126 /nfs/dbraw/zinc/02/81/26/527028126.db2.gz AYOIPZYPPGWZFV-FQEVSTJZSA-N 1 1 497.901 3.567 50 0 JHAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@@H+](Cc1ccccc1)CC2)NC1CCCC1 ZINC000035456545 527349784 /nfs/dbraw/zinc/34/97/84/527349784.db2.gz USUXQGXWQZOMCC-UHFFFAOYSA-N 1 1 460.553 3.667 50 0 JHAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2)NC1CCCC1 ZINC000035456545 527349790 /nfs/dbraw/zinc/34/97/90/527349790.db2.gz USUXQGXWQZOMCC-UHFFFAOYSA-N 1 1 460.553 3.667 50 0 JHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1ncc2c3ccccc3n(Cc3cc(C)ccc3C)c2c1=O ZINC000008933203 554826870 /nfs/dbraw/zinc/82/68/70/554826870.db2.gz CFNSMQQACIGBDB-QFIPXVFZSA-N 1 1 471.605 3.617 50 0 JHAAMO CCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)c(N3CC[NH+](CCC)CC3)cc21 ZINC000009118983 554909320 /nfs/dbraw/zinc/90/93/20/554909320.db2.gz SCXJGAWVOICLSV-UHFFFAOYSA-N 1 1 471.598 3.915 50 0 JHAAMO CCCn1c2ccccc2c2cnn(CC(=O)NC[C@@H]3CC[N@@H+](Cc4ccc(C)cc4)C3)c(=O)c21 ZINC000009153456 554943156 /nfs/dbraw/zinc/94/31/56/554943156.db2.gz QFQZOFFSFLDVSW-QFIPXVFZSA-N 1 1 471.605 3.708 50 0 JHAAMO CCCC[N@@H+](CCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1)Cc1ccco1 ZINC000009211281 554981262 /nfs/dbraw/zinc/98/12/62/554981262.db2.gz SAXMBVWILZTEFT-UHFFFAOYSA-N 1 1 493.656 3.781 50 0 JHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000009276503 555048609 /nfs/dbraw/zinc/04/86/09/555048609.db2.gz CSCQKDNTODUPSN-QHCPKHFHSA-N 1 1 488.698 3.977 50 0 JHAAMO O=C(C1CCN(c2nccnc2Oc2ccccc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013359547 555385561 /nfs/dbraw/zinc/38/55/61/555385561.db2.gz DWJVQCVGTRODOR-UHFFFAOYSA-N 1 1 457.578 3.830 50 0 JHAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009583363 555391013 /nfs/dbraw/zinc/39/10/13/555391013.db2.gz BFSJIIWANGMALR-AUSIDOKSSA-N 1 1 499.633 3.797 50 0 JHAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009583363 555391016 /nfs/dbraw/zinc/39/10/16/555391016.db2.gz BFSJIIWANGMALR-AUSIDOKSSA-N 1 1 499.633 3.797 50 0 JHAAMO CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2ccc(OC)cc2s1 ZINC000009604229 555431081 /nfs/dbraw/zinc/43/10/81/555431081.db2.gz JXKBKWJHVSMUDX-UHFFFAOYSA-N 1 1 475.636 3.844 50 0 JHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)C[C@]2(c3ccccc3F)CC(=O)N(C3CCCC3)C2=O)CC1 ZINC000019838534 555507758 /nfs/dbraw/zinc/50/77/58/555507758.db2.gz VQNVFBGKGVQKHK-GDLZYMKVSA-N 1 1 491.607 3.808 50 0 JHAAMO COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CC[NH+]2CCN(C)CC2)cc1 ZINC000020057726 555620660 /nfs/dbraw/zinc/62/06/60/555620660.db2.gz MRRNOWBMZDVAJA-HSZRJFAPSA-N 1 1 485.426 3.773 50 0 JHAAMO O=C([C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020138904 555662017 /nfs/dbraw/zinc/66/20/17/555662017.db2.gz DDKQLHHRZLNOCH-KAYWLYCHSA-N 1 1 451.570 3.868 50 0 JHAAMO C[N@@H+](CCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Oc2ccccc21)Cc1ccccc1 ZINC000020180738 555687020 /nfs/dbraw/zinc/68/70/20/555687020.db2.gz NAFCNMUCFYCWEZ-UQQQWYQISA-N 1 1 459.521 3.840 50 0 JHAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)c2c1C ZINC000014123920 555695678 /nfs/dbraw/zinc/69/56/78/555695678.db2.gz JOSRWJFUKNGORS-UHFFFAOYSA-N 1 1 489.642 3.554 50 0 JHAAMO Cc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2cccs2)cc1 ZINC000020215943 555711787 /nfs/dbraw/zinc/71/17/87/555711787.db2.gz CPFPCHROGLICAA-UHFFFAOYSA-N 1 1 469.632 3.596 50 0 JHAAMO Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)cc1 ZINC000014246457 555749373 /nfs/dbraw/zinc/74/93/73/555749373.db2.gz IJNFFXGYQISPGV-QHCPKHFHSA-N 1 1 493.629 3.590 50 0 JHAAMO C[C@@H](NC(=O)C(=O)NCc1ccc(F)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288243 555757036 /nfs/dbraw/zinc/75/70/36/555757036.db2.gz RFMXXIXQSQWYGV-DVECYGJZSA-N 1 1 480.609 3.572 50 0 JHAAMO C[C@@H](NC(=O)C(=O)NCc1ccc(F)cc1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020288556 555758100 /nfs/dbraw/zinc/75/81/00/555758100.db2.gz AIALLAMHVBMJIY-CJFMBICVSA-N 1 1 494.636 3.567 50 0 JHAAMO COc1ccc2[nH]c3c([nH]c(=S)n(CCC(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3=O)c2c1 ZINC000020330366 555775550 /nfs/dbraw/zinc/77/55/50/555775550.db2.gz REVUSKKRCIRAJB-UHFFFAOYSA-N 1 1 491.617 3.720 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1Cc1nc2cc(OC)c(OC)cc2c(N2CCC(C(=O)OC)CC2)n1 ZINC000011784020 555815105 /nfs/dbraw/zinc/81/51/05/555815105.db2.gz DUOPHYOVOCVOKA-GOSISDBHSA-N 1 1 456.587 3.801 50 0 JHAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NC[C@H]2CCCO2)C[N@H+](Cc2ccccc2)C1 ZINC000014541970 555832664 /nfs/dbraw/zinc/83/26/64/555832664.db2.gz PJYIWMFKQUYDJY-BFLUCZKCSA-N 1 1 461.606 3.547 50 0 JHAAMO COC(=O)c1c(OCc2ccc(F)cc2)cc(=O)n2c1CC[N@@H+](Cc1cccc3cccnc31)CC2 ZINC000020600364 555841857 /nfs/dbraw/zinc/84/18/57/555841857.db2.gz MZYALBBVIOQBSC-UHFFFAOYSA-N 1 1 487.531 3.960 50 0 JHAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3cccc(Cl)c3)[N@H+](Cc3ccc(C)cc3C)C2)nn1 ZINC000015002063 555847271 /nfs/dbraw/zinc/84/72/71/555847271.db2.gz KSJMBKJULIBOLJ-UPVQGACJSA-N 1 1 496.011 3.509 50 0 JHAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3cccc(Cl)c3)[N@@H+](Cc3ccc(C)cc3C)C2)nn1 ZINC000015002063 555847274 /nfs/dbraw/zinc/84/72/74/555847274.db2.gz KSJMBKJULIBOLJ-UPVQGACJSA-N 1 1 496.011 3.509 50 0 JHAAMO Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)cc1C ZINC000021794891 555856399 /nfs/dbraw/zinc/85/63/99/555856399.db2.gz IDXKSXDYWCYZTP-UHFFFAOYSA-N 1 1 453.568 3.783 50 0 JHAAMO Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)c(C)c1 ZINC000021794887 555856412 /nfs/dbraw/zinc/85/64/12/555856412.db2.gz XXZJMJPPVATWKR-UHFFFAOYSA-N 1 1 453.568 3.783 50 0 JHAAMO O[C@@H](COc1c(Cl)cc(Cl)cc1Cl)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022037842 555865280 /nfs/dbraw/zinc/86/52/80/555865280.db2.gz AYDDCEMKIPKLBQ-MRXNPFEDSA-N 1 1 473.784 3.933 50 0 JHAAMO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000012041171 555893802 /nfs/dbraw/zinc/89/38/02/555893802.db2.gz YIZLCNJVNYWYNT-RUZDIDTESA-N 1 1 473.621 3.757 50 0 JHAAMO Cc1noc(C)c1CC(=O)N1CCC(Oc2cccc(C[NH+]3CCN(c4ccccn4)CC3)c2)CC1 ZINC000012100132 555907717 /nfs/dbraw/zinc/90/77/17/555907717.db2.gz YRLJNPHRNUWADI-UHFFFAOYSA-N 1 1 489.620 3.621 50 0 JHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000015722593 555957739 /nfs/dbraw/zinc/95/77/39/555957739.db2.gz YGAVGOFIEMRCEZ-QHCPKHFHSA-N 1 1 488.698 3.977 50 0 JHAAMO CCOc1ccc(CCNC(=O)C2CC[NH+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)cc1 ZINC000015726442 555964869 /nfs/dbraw/zinc/96/48/69/555964869.db2.gz WLMLLUBVEHYDII-UHFFFAOYSA-N 1 1 494.592 3.723 50 0 JHAAMO COc1ccc(COC[C@@H](O)CN2CC[NH+](Cc3csc4ccccc34)CC2)cc1OC ZINC000022912347 555968097 /nfs/dbraw/zinc/96/80/97/555968097.db2.gz JDVYCUAGGKDMPJ-NRFANRHFSA-N 1 1 456.608 3.614 50 0 JHAAMO CC(C)c1ccc(OC[C@H](O)CN2CC[NH+](C[C@@H](O)COc3ccc(C(C)C)cc3)CC2)cc1 ZINC000022916946 555970637 /nfs/dbraw/zinc/97/06/37/555970637.db2.gz NVIRMVZXDGZJGX-CLJLJLNGSA-N 1 1 470.654 3.731 50 0 JHAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)Nc1ccccc1Cl ZINC000022917149 555970714 /nfs/dbraw/zinc/97/07/14/555970714.db2.gz NTNKBXHDGSPAJV-UHFFFAOYSA-N 1 1 468.907 3.944 50 0 JHAAMO O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CC[NH+](Cc2cccs2)CC1 ZINC000022919214 555973305 /nfs/dbraw/zinc/97/33/05/555973305.db2.gz HTARVDVLRAYMNC-AREMUKBSSA-N 1 1 460.603 3.513 50 0 JHAAMO C[C@@H]1CSc2ccc(S(=O)(=O)N3CCC([N@@H+](C)C4CCCCC4)CC3)cc2NC1=O ZINC000015731174 555973932 /nfs/dbraw/zinc/97/39/32/555973932.db2.gz FVZUWAVJOJKEDS-MRXNPFEDSA-N 1 1 451.658 3.785 50 0 JHAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1)Nc1c(Cl)cccc1Cl ZINC000022930464 555983822 /nfs/dbraw/zinc/98/38/22/555983822.db2.gz LJXYWCWWJHKJAT-UHFFFAOYSA-N 1 1 453.345 3.717 50 0 JHAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)sc2C1 ZINC000015880179 556052142 /nfs/dbraw/zinc/05/21/42/556052142.db2.gz PVTRQYZEWZCJCX-UHFFFAOYSA-N 1 1 462.641 3.727 50 0 JHAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)sc2C1 ZINC000015880179 556052146 /nfs/dbraw/zinc/05/21/46/556052146.db2.gz PVTRQYZEWZCJCX-UHFFFAOYSA-N 1 1 462.641 3.727 50 0 JHAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(C)c(Cl)cc3OC)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015998937 556103793 /nfs/dbraw/zinc/10/37/93/556103793.db2.gz CTJUCMWBVGATGH-MPWBWRNSSA-N 1 1 479.964 3.503 50 0 JHAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1cc(C)cc2C ZINC000016000733 556105280 /nfs/dbraw/zinc/10/52/80/556105280.db2.gz UJPDBNVSNRGNTJ-LIYOMKHYSA-N 1 1 479.964 3.705 50 0 JHAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016001292 556106476 /nfs/dbraw/zinc/10/64/76/556106476.db2.gz AODNNWZIFYOPJN-AFXVXQJMSA-N 1 1 458.514 3.542 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000016001578 556106855 /nfs/dbraw/zinc/10/68/55/556106855.db2.gz GULCWEGUJSEAEC-SUWCGCSTSA-N 1 1 460.292 3.564 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016001578 556106859 /nfs/dbraw/zinc/10/68/59/556106859.db2.gz GULCWEGUJSEAEC-SUWCGCSTSA-N 1 1 460.292 3.564 50 0 JHAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001909 556107204 /nfs/dbraw/zinc/10/72/04/556107204.db2.gz KEQYJSODVIVFTK-UAKAABGRSA-N 1 1 469.463 3.753 50 0 JHAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016012817 556111649 /nfs/dbraw/zinc/11/16/49/556111649.db2.gz UBLNJTOVDQEMLN-CMCWBKRRSA-N 1 1 469.463 3.699 50 0 JHAAMO COc1ccc(-c2noc(CCC(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)n2)cc1OC ZINC000024989002 556170386 /nfs/dbraw/zinc/17/03/86/556170386.db2.gz HURYODVXXIMVFO-SFHVURJKSA-N 1 1 458.946 3.759 50 0 JHAAMO C[N@@H+]1CCN(C(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000013006142 556198107 /nfs/dbraw/zinc/19/81/07/556198107.db2.gz CJLRTGZBSCLYRL-XOJXFWDVSA-N 1 1 467.635 3.780 50 0 JHAAMO C[N@H+]1CCN(C(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000013006142 556198110 /nfs/dbraw/zinc/19/81/10/556198110.db2.gz CJLRTGZBSCLYRL-XOJXFWDVSA-N 1 1 467.635 3.780 50 0 JHAAMO Cc1cc(O)c([C@H](c2cccnc2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccco1 ZINC000016993938 556198390 /nfs/dbraw/zinc/19/83/90/556198390.db2.gz VBJKPTZWNGNOOF-SANMLTNESA-N 1 1 456.546 3.810 50 0 JHAAMO Cc1c(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cnn1-c1ccc(Br)cc1 ZINC000025264550 556206845 /nfs/dbraw/zinc/20/68/45/556206845.db2.gz LSYLHJZYAKFPPO-UHFFFAOYSA-N 1 1 461.404 3.708 50 0 JHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccccc1I ZINC000017306251 556253742 /nfs/dbraw/zinc/25/37/42/556253742.db2.gz VJRFGMZECQZCCX-AWEZNQCLSA-N 1 1 461.307 3.503 50 0 JHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccccc1I ZINC000017306251 556253745 /nfs/dbraw/zinc/25/37/45/556253745.db2.gz VJRFGMZECQZCCX-AWEZNQCLSA-N 1 1 461.307 3.503 50 0 JHAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)ccc1O ZINC000019228665 556335806 /nfs/dbraw/zinc/33/58/06/556335806.db2.gz TVDCOWKPGPZJHR-IBGZPJMESA-N 1 1 467.570 3.551 50 0 JHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000029717108 556356085 /nfs/dbraw/zinc/35/60/85/556356085.db2.gz MNUJKDJXLZWKON-UHFFFAOYSA-N 1 1 455.356 3.601 50 0 JHAAMO O=C(Cc1ccccc1)NCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000032809443 556499386 /nfs/dbraw/zinc/49/93/86/556499386.db2.gz CNGXUQOJRDWXMB-UHFFFAOYSA-N 1 1 451.567 3.557 50 0 JHAAMO Cc1ccc(-c2nnc(CCC(=O)N3CC[NH+](CCCc4nc(-c5cccs5)no4)CC3)o2)cc1 ZINC000032837356 556507533 /nfs/dbraw/zinc/50/75/33/556507533.db2.gz YNYMDPIJFJZBBK-UHFFFAOYSA-N 1 1 492.605 3.866 50 0 JHAAMO Cc1ccc(-c2noc(CN3CC[NH+](C[C@H](O)CO[C@H](C)c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000032894940 556525111 /nfs/dbraw/zinc/52/51/11/556525111.db2.gz VRIFGXNCMPEJCT-XXBNENTESA-N 1 1 471.001 3.955 50 0 JHAAMO O=C(c1ccccc1)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(F)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000057105531 569594414 /nfs/dbraw/zinc/59/44/14/569594414.db2.gz DDDYGRLTHABPSW-WLGONLEPSA-N 1 1 467.500 3.840 50 0 JHAAMO O=C(c1ccccc1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(F)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000057105531 569594415 /nfs/dbraw/zinc/59/44/15/569594415.db2.gz DDDYGRLTHABPSW-WLGONLEPSA-N 1 1 467.500 3.840 50 0 JHAAMO CC(=O)N(c1nc(CN(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cs1)c1ccccc1 ZINC000008723693 569599362 /nfs/dbraw/zinc/59/93/62/569599362.db2.gz IPKRVMWWVQJRLY-UHFFFAOYSA-N 1 1 477.634 3.604 50 0 JHAAMO CC1=C(C(=O)NCC[NH+]2CCN(c3cc(Cl)ccc3C)CC2)C2(CCC(C)CC2)OC1=O ZINC000058056179 569601939 /nfs/dbraw/zinc/60/19/39/569601939.db2.gz PVCMQQXFAGEAPG-UHFFFAOYSA-N 1 1 460.018 3.709 50 0 JHAAMO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000032987891 569609708 /nfs/dbraw/zinc/60/97/08/569609708.db2.gz XHCIKQKORDFTFQ-IBDYFIJFSA-N 1 1 463.409 3.883 50 0 JHAAMO 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C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)cc4F)n2)CN(C(=O)NCc2ccccc2)CC3)CC1 ZINC000034757306 569656842 /nfs/dbraw/zinc/65/68/42/569656842.db2.gz CPZQCZXPJYCEPO-UHFFFAOYSA-N 1 1 494.546 3.567 50 0 JHAAMO CCCCNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(S(=O)(=O)N[C@H](C)c2ccccc2)c1 ZINC000034919949 569672081 /nfs/dbraw/zinc/67/20/81/569672081.db2.gz OWIAGUVIWBZRFG-HXUWFJFHSA-N 1 1 487.670 3.790 50 0 JHAAMO CC[NH+](CC)[C@H](CNC(=O)CS(=O)(=O)Cc1cccc(Br)c1)c1ccccc1 ZINC000065564981 569675951 /nfs/dbraw/zinc/67/59/51/569675951.db2.gz JMDRJBUHOFURMG-HXUWFJFHSA-N 1 1 467.429 3.563 50 0 JHAAMO CN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000065614793 569676354 /nfs/dbraw/zinc/67/63/54/569676354.db2.gz YESOVLCCPUXNQC-HSZRJFAPSA-N 1 1 489.447 3.662 50 0 JHAAMO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CC[N@H+]1CCN(c2cccc(OC)c2)[C@H](C)C1 ZINC000035366125 569682665 /nfs/dbraw/zinc/68/26/65/569682665.db2.gz HSOCWKNBCAPUHR-GOSISDBHSA-N 1 1 464.566 3.811 50 0 JHAAMO 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CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(COC)n2-c2ccc(C)cc2)CC1 ZINC000095925484 569730093 /nfs/dbraw/zinc/73/00/93/569730093.db2.gz ZMNFUSPTGOKHBM-UHFFFAOYSA-N 1 1 465.623 3.792 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(C)n2-c2ccc(OC)cc2)CC1 ZINC000095925487 569730141 /nfs/dbraw/zinc/73/01/41/569730141.db2.gz JENIVJGUSZVLMI-UHFFFAOYSA-N 1 1 451.596 3.654 50 0 JHAAMO Cc1ccccc1CS(=O)(=O)c1ncc(CN(CC[NH+](C)C)C(=O)C(C)C)n1Cc1ccccc1 ZINC000036040328 569753044 /nfs/dbraw/zinc/75/30/44/569753044.db2.gz WVDPVIDFAYAUSM-UHFFFAOYSA-N 1 1 496.677 3.760 50 0 JHAAMO COC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCc4cc(F)cc(F)c4)CC3)C2=O)cc1 ZINC000100218721 569755725 /nfs/dbraw/zinc/75/57/25/569755725.db2.gz KLMJYEGMLWLSND-JOCHJYFZSA-N 1 1 456.489 3.728 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccccc2)C1 ZINC000036341648 569764655 /nfs/dbraw/zinc/76/46/55/569764655.db2.gz RDQZLPZGHHHRHD-RDPSFJRHSA-N 1 1 479.577 3.657 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccccc2)C1 ZINC000036341648 569764656 /nfs/dbraw/zinc/76/46/56/569764656.db2.gz RDQZLPZGHHHRHD-RDPSFJRHSA-N 1 1 479.577 3.657 50 0 JHAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000036342272 569765646 /nfs/dbraw/zinc/76/56/46/569765646.db2.gz XRXZEPSOOXMANF-QHCPKHFHSA-N 1 1 469.969 3.865 50 0 JHAAMO CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000036342547 569765863 /nfs/dbraw/zinc/76/58/63/569765863.db2.gz VPRCVVMTLJBGEW-XMMPIXPASA-N 1 1 467.541 3.741 50 0 JHAAMO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036342879 569766169 /nfs/dbraw/zinc/76/61/69/569766169.db2.gz NZQVVYFMYROZCP-HSZRJFAPSA-N 1 1 452.986 3.832 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343392 569766302 /nfs/dbraw/zinc/76/63/02/569766302.db2.gz LIJNMDQLLDMOCL-OFVILXPXSA-N 1 1 493.604 3.965 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343392 569766303 /nfs/dbraw/zinc/76/63/03/569766303.db2.gz LIJNMDQLLDMOCL-OFVILXPXSA-N 1 1 493.604 3.965 50 0 JHAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](O)COC ZINC000036346629 569770369 /nfs/dbraw/zinc/77/03/69/569770369.db2.gz FRMKYXKPQVGWCA-NRFANRHFSA-N 1 1 461.509 3.707 50 0 JHAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](O)COC ZINC000036346629 569770371 /nfs/dbraw/zinc/77/03/71/569770371.db2.gz FRMKYXKPQVGWCA-NRFANRHFSA-N 1 1 461.509 3.707 50 0 JHAAMO COc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000036548360 569776384 /nfs/dbraw/zinc/77/63/84/569776384.db2.gz BIUZXRRWYROHHD-FTJBHMTQSA-N 1 1 468.557 3.557 50 0 JHAAMO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3sccc3S(=O)(=O)N3CCCCC3)CC2)cc1 ZINC000036800911 569780723 /nfs/dbraw/zinc/78/07/23/569780723.db2.gz VZTGJFCUCREAOX-UHFFFAOYSA-N 1 1 461.653 3.579 50 0 JHAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3sccc3S(=O)(=O)N3CCCCC3)CC2)cc1 ZINC000036800911 569780724 /nfs/dbraw/zinc/78/07/24/569780724.db2.gz VZTGJFCUCREAOX-UHFFFAOYSA-N 1 1 461.653 3.579 50 0 JHAAMO CC[C@H](C(=O)NC1CCN(c2ccccc2C(=O)N2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000037276976 569782278 /nfs/dbraw/zinc/78/22/78/569782278.db2.gz BYZUXZFFMWIZOR-DEOSSOPVSA-N 1 1 462.638 3.743 50 0 JHAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101411229 569797247 /nfs/dbraw/zinc/79/72/47/569797247.db2.gz VJYHLEUEKVPNLU-MTXNFPGFSA-N 1 1 470.356 3.987 50 0 JHAAMO CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000040157551 569821638 /nfs/dbraw/zinc/82/16/38/569821638.db2.gz RTSBMPDHKIOYTH-QHCPKHFHSA-N 1 1 481.728 3.510 50 0 JHAAMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccccc2OCCOc2ccccc2)c1 ZINC000040157934 569821854 /nfs/dbraw/zinc/82/18/54/569821854.db2.gz VAHKTSANIOKUSU-XMMPIXPASA-N 1 1 459.546 3.846 50 0 JHAAMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccccc2OCCOc2ccccc2)c1 ZINC000040157934 569821857 /nfs/dbraw/zinc/82/18/57/569821857.db2.gz VAHKTSANIOKUSU-XMMPIXPASA-N 1 1 459.546 3.846 50 0 JHAAMO COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000103513443 569835612 /nfs/dbraw/zinc/83/56/12/569835612.db2.gz KRFDNMSIZGUOFU-DXBBTUNJSA-N 1 1 458.514 3.604 50 0 JHAAMO COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000103513443 569835613 /nfs/dbraw/zinc/83/56/13/569835613.db2.gz KRFDNMSIZGUOFU-DXBBTUNJSA-N 1 1 458.514 3.604 50 0 JHAAMO CCc1nn2c(nc(C[N@H+](Cc3ccccc3)Cc3ccc(OC)c(OC)c3)cc2=O)s1 ZINC000046032388 569842911 /nfs/dbraw/zinc/84/29/11/569842911.db2.gz UPTPLCSFXRRYFJ-UHFFFAOYSA-N 1 1 450.564 3.933 50 0 JHAAMO CCc1nn2c(nc(C[N@@H+](Cc3ccccc3)Cc3ccc(OC)c(OC)c3)cc2=O)s1 ZINC000046032388 569842912 /nfs/dbraw/zinc/84/29/12/569842912.db2.gz UPTPLCSFXRRYFJ-UHFFFAOYSA-N 1 1 450.564 3.933 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3F)C[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000105008901 569850344 /nfs/dbraw/zinc/85/03/44/569850344.db2.gz PZWCFFWQOUZAAI-PGRDOPGGSA-N 1 1 481.524 3.507 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3F)C[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000105008901 569850345 /nfs/dbraw/zinc/85/03/45/569850345.db2.gz PZWCFFWQOUZAAI-PGRDOPGGSA-N 1 1 481.524 3.507 50 0 JHAAMO COc1cc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc(OC)c1OC ZINC000051317136 569851324 /nfs/dbraw/zinc/85/13/24/569851324.db2.gz SSLWGHDMDBXDDQ-UHFFFAOYSA-N 1 1 452.511 3.613 50 0 JHAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccco2)[C@@H](C)C1 ZINC000105060983 569852656 /nfs/dbraw/zinc/85/26/56/569852656.db2.gz JKLTZGFDYXEDGE-DFBJGRDBSA-N 1 1 463.603 3.970 50 0 JHAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccco2)[C@@H](C)C1 ZINC000105060983 569852657 /nfs/dbraw/zinc/85/26/57/569852657.db2.gz JKLTZGFDYXEDGE-DFBJGRDBSA-N 1 1 463.603 3.970 50 0 JHAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@@H](O)COCC(C)C ZINC000169680383 569870446 /nfs/dbraw/zinc/87/04/46/569870446.db2.gz ARFKNZJTKKSPEL-FYYLOGMGSA-N 1 1 474.667 3.917 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@@H](O)COC(C)C ZINC000169680343 569870544 /nfs/dbraw/zinc/87/05/44/569870544.db2.gz OEXLLJMPYCQSRZ-HYBUGGRVSA-N 1 1 490.666 3.759 50 0 JHAAMO O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229897275 570041997 /nfs/dbraw/zinc/04/19/97/570041997.db2.gz SQXMXBQFMSZHIC-KCXPTXFHSA-N 1 1 475.854 3.790 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229901754 570042250 /nfs/dbraw/zinc/04/22/50/570042250.db2.gz DUZBSLXGTCZLDT-BREDGVMVSA-N 1 1 493.844 3.929 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229901754 570042251 /nfs/dbraw/zinc/04/22/51/570042251.db2.gz DUZBSLXGTCZLDT-BREDGVMVSA-N 1 1 493.844 3.929 50 0 JHAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000239619605 570052595 /nfs/dbraw/zinc/05/25/95/570052595.db2.gz BFSJIIWANGMALR-CVDCTZTESA-N 1 1 499.633 3.797 50 0 JHAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000239619605 570052596 /nfs/dbraw/zinc/05/25/96/570052596.db2.gz BFSJIIWANGMALR-CVDCTZTESA-N 1 1 499.633 3.797 50 0 JHAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000245310100 570063253 /nfs/dbraw/zinc/06/32/53/570063253.db2.gz HSCWGSTVJAMWGR-LUKWVAJMSA-N 1 1 458.514 3.588 50 0 JHAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000245310100 570063254 /nfs/dbraw/zinc/06/32/54/570063254.db2.gz HSCWGSTVJAMWGR-LUKWVAJMSA-N 1 1 458.514 3.588 50 0 JHAAMO COC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)CC(C)C ZINC000245327495 570065349 /nfs/dbraw/zinc/06/53/49/570065349.db2.gz JQXKBJAXEKUDGA-SIKLNZKXSA-N 1 1 481.058 3.872 50 0 JHAAMO O=C([C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12)N1CCOCC1 ZINC000245328390 570065798 /nfs/dbraw/zinc/06/57/98/570065798.db2.gz ODVJQTXJJXDETI-JTHBVZDNSA-N 1 1 477.502 3.566 50 0 JHAAMO COCC(=O)N(C[C@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)C[C@H]1c1cccc(F)c1)C(C)C ZINC000245329644 570066273 /nfs/dbraw/zinc/06/62/73/570066273.db2.gz UQUTVXUXMKAFKL-BWKNWUBXSA-N 1 1 458.574 3.942 50 0 JHAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000249694572 570078705 /nfs/dbraw/zinc/07/87/05/570078705.db2.gz PEGRHPCEDBXBQM-TVQWTUMOSA-N 1 1 451.526 3.685 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000253389832 570095741 /nfs/dbraw/zinc/09/57/41/570095741.db2.gz OIRQYYWGWGDPGU-YDSTWLSQSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000253389832 570095742 /nfs/dbraw/zinc/09/57/42/570095742.db2.gz OIRQYYWGWGDPGU-YDSTWLSQSA-N 1 1 456.329 3.733 50 0 JHAAMO CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)cc2O1 ZINC000257198767 570107401 /nfs/dbraw/zinc/10/74/01/570107401.db2.gz IBBOWHCQFLNGOV-CIVIXNTOSA-N 1 1 480.605 3.936 50 0 biogenic JHAAMO O=C(c1ccc(F)cc1F)N1CCC2(C[C@@H]2C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000299762262 570174659 /nfs/dbraw/zinc/17/46/59/570174659.db2.gz SPFHQVYYLZQFGC-JOCHJYFZSA-N 1 1 453.533 3.552 50 0 JHAAMO COc1ccc(-c2noc(N3CCC(C(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)CC3)n2)cc1 ZINC000009405543 194744717 /nfs/dbraw/zinc/74/47/17/194744717.db2.gz NNNMIEKGZAKHDE-KDURUIRLSA-N 1 1 455.603 3.731 50 0 JHAAMO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000012794501 195134572 /nfs/dbraw/zinc/13/45/72/195134572.db2.gz FNOQHORDZXILNT-UHFFFAOYSA-N 1 1 476.621 3.588 50 0 JHAAMO CCS(=O)(=O)Nc1cccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000012800614 195139124 /nfs/dbraw/zinc/13/91/24/195139124.db2.gz OXKPSBKCBFHBDD-UHFFFAOYSA-N 1 1 463.603 3.996 50 0 JHAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NCc2ccccc2)cc(OC)c1OC ZINC000012862305 195159812 /nfs/dbraw/zinc/15/98/12/195159812.db2.gz SGGYYSCWAPCMGF-NOOLENRPSA-N 1 1 468.594 3.697 50 0 biogenic JHAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NCc2ccccc2)cc(OC)c1OC ZINC000012862305 195159815 /nfs/dbraw/zinc/15/98/15/195159815.db2.gz SGGYYSCWAPCMGF-NOOLENRPSA-N 1 1 468.594 3.697 50 0 biogenic JHAAMO Cc1oc2cc3oc(=O)c(CC(=O)N4CC[NH+](CCO)CC4)c(C)c3cc2c1-c1ccccc1 ZINC000020760207 195217469 /nfs/dbraw/zinc/21/74/69/195217469.db2.gz IXRSLPZUEDMAMI-UHFFFAOYSA-N 1 1 460.530 3.502 50 0 biogenic JHAAMO CCc1nn(CCCC(=O)NCCC[N@@H+](C)Cc2ccccc2)c(=O)c2cc3oc(C)cc3n21 ZINC000020862483 195233676 /nfs/dbraw/zinc/23/36/76/195233676.db2.gz WPXIVUIQSQOIRJ-UHFFFAOYSA-N 1 1 463.582 3.532 50 0 JHAAMO Cc1cccc(O[C@H](C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)C(=O)NCC2CC2)c1 ZINC000096281484 130027667 /nfs/dbraw/zinc/02/76/67/130027667.db2.gz DDDBOCODFKCZRH-JYFHCDHNSA-N 1 1 466.578 3.679 50 0 JHAAMO CC(C)[NH+]1CCC(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)CC1 ZINC000012434571 519669534 /nfs/dbraw/zinc/66/95/34/519669534.db2.gz LDDYQFBZOPJHRR-UHFFFAOYSA-N 1 1 450.627 3.975 50 0 JHAAMO CC[N@@H+](CCNC(=O)c1cc2c(n(-c3ccc(F)cc3)c1=O)CCCC2=O)Cc1ccccc1 ZINC000033126749 521072073 /nfs/dbraw/zinc/07/20/73/521072073.db2.gz FTCDJADYWUEJEN-UHFFFAOYSA-N 1 1 461.537 3.748 50 0 JHAAMO CCOC(=O)c1c(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)sc2c1CC[C@@H](C)C2 ZINC000019792851 521408391 /nfs/dbraw/zinc/40/83/91/521408391.db2.gz JAYBRSSNANUUNH-GOSISDBHSA-N 1 1 455.624 3.806 50 0 JHAAMO CC[NH+]1CCN(C(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)CC1 ZINC000016346318 521662986 /nfs/dbraw/zinc/66/29/86/521662986.db2.gz ZSTJGEMCZBJACE-UHFFFAOYSA-N 1 1 489.947 3.718 50 0 JHAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)CN1CCOCC1 ZINC000036307747 521678508 /nfs/dbraw/zinc/67/85/08/521678508.db2.gz QKRVXCSHXLSTRO-HSZRJFAPSA-N 1 1 482.600 3.924 50 0 JHAAMO CC[NH+]1CCN(c2nc(Nc3ccc(OC)cc3OC)nc(Nc3ccc(OC)cc3OC)n2)CC1 ZINC000009291121 521701072 /nfs/dbraw/zinc/70/10/72/521701072.db2.gz SXJCUJKNVRUHOQ-UHFFFAOYSA-N 1 1 495.584 3.535 50 0 JHAAMO COCCn1c(C)cc(O)c([C@@H](c2ccc(C)cc2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022697758 522061293 /nfs/dbraw/zinc/06/12/93/522061293.db2.gz BCUUXMJWOJYJQF-AREMUKBSSA-N 1 1 465.569 3.868 50 0 JHAAMO COCCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000022697785 522062409 /nfs/dbraw/zinc/06/24/09/522062409.db2.gz KMRFHQDDCALYBL-RUZDIDTESA-N 1 1 480.634 3.537 50 0 JHAAMO COC[C@H](O)C[N@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036207744 522787108 /nfs/dbraw/zinc/78/71/08/522787108.db2.gz HFWJUKWABVIKMW-QGZVFWFLSA-N 1 1 475.611 3.524 50 0 JHAAMO COC[C@H](O)C[N@@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036207744 522787121 /nfs/dbraw/zinc/78/71/21/522787121.db2.gz HFWJUKWABVIKMW-QGZVFWFLSA-N 1 1 475.611 3.524 50 0 JHAAMO C[N@@H+](CCNC(=O)c1ccc(CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)cc1)C1CCCCC1 ZINC000035459268 522860361 /nfs/dbraw/zinc/86/03/61/522860361.db2.gz OXIQYWGVPXUCDD-SANMLTNESA-N 1 1 488.632 3.832 50 0 JHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000033131288 523020305 /nfs/dbraw/zinc/02/03/05/523020305.db2.gz CASCXLRMHMMJAT-SFHVURJKSA-N 1 1 456.052 3.899 50 0 JHAAMO CCn1c2c(C(=O)Nc3ccc(F)cc3C)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000064967796 523254235 /nfs/dbraw/zinc/25/42/35/523254235.db2.gz KKSVOOPHFAEPLY-UHFFFAOYSA-N 1 1 489.551 3.783 50 0 JHAAMO CCn1c2c(C(=O)Nc3ccc(F)cc3C)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000064967796 523254245 /nfs/dbraw/zinc/25/42/45/523254245.db2.gz KKSVOOPHFAEPLY-UHFFFAOYSA-N 1 1 489.551 3.783 50 0 JHAAMO COc1ccc(-c2noc3ncnc(N4CCC(C(=O)NCC[N@H+]5CCCC[C@@H]5C)CC4)c32)cc1 ZINC000033084948 523305188 /nfs/dbraw/zinc/30/51/88/523305188.db2.gz IEPBFPDRPDWUMW-SFHVURJKSA-N 1 1 478.597 3.500 50 0 JHAAMO COc1ccc(-n2c(NCCC[NH+]3CCOCC3)nc3sc4c(c3c2=O)CCCCC4)cc1 ZINC000020503995 523319155 /nfs/dbraw/zinc/31/91/55/523319155.db2.gz RIGCIMHKCIOERG-UHFFFAOYSA-N 1 1 468.623 3.859 50 0 JHAAMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000016631353 523360037 /nfs/dbraw/zinc/36/00/37/523360037.db2.gz GBOAVMVSANTGAV-QFIPXVFZSA-N 1 1 463.530 3.961 50 0 JHAAMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000016631353 523360045 /nfs/dbraw/zinc/36/00/45/523360045.db2.gz GBOAVMVSANTGAV-QFIPXVFZSA-N 1 1 463.530 3.961 50 0 JHAAMO COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3nc4ccccc4s3)CC2)C1=O ZINC000014748342 523803880 /nfs/dbraw/zinc/80/38/80/523803880.db2.gz FNFCHUBOBDNVEQ-UHFFFAOYSA-N 1 1 464.591 3.742 50 0 JHAAMO CN1CCCN(C(=O)c2nc3sccn3c2C[N@@H+](Cc2ccccc2)CC2CCC2)CC1 ZINC000012442959 523807881 /nfs/dbraw/zinc/80/78/81/523807881.db2.gz DLDZONVZKIIOJD-UHFFFAOYSA-N 1 1 451.640 3.976 50 0 JHAAMO CN1CCCN(C(=O)c2nc3sccn3c2C[N@H+](Cc2ccccc2)CC2CCC2)CC1 ZINC000012442959 523807886 /nfs/dbraw/zinc/80/78/86/523807886.db2.gz DLDZONVZKIIOJD-UHFFFAOYSA-N 1 1 451.640 3.976 50 0 JHAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@H+]2CCCC[C@@H]2C)[C@@H]1c1cccs1 ZINC000020508217 523810939 /nfs/dbraw/zinc/81/09/39/523810939.db2.gz ZRINCYBFTGQYEB-TZYHBYERSA-N 1 1 455.624 3.666 50 0 JHAAMO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022804450 523837166 /nfs/dbraw/zinc/83/71/66/523837166.db2.gz NPCXORDIEYVTLB-RUZDIDTESA-N 1 1 466.626 3.606 50 0 JHAAMO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022804450 523837173 /nfs/dbraw/zinc/83/71/73/523837173.db2.gz NPCXORDIEYVTLB-RUZDIDTESA-N 1 1 466.626 3.606 50 0 JHAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(C(=O)Cc2ccc(F)cc2)CC3)CC1 ZINC000034758402 523929138 /nfs/dbraw/zinc/92/91/38/523929138.db2.gz PREQJAUHDYFMIB-UHFFFAOYSA-N 1 1 497.521 3.565 50 0 JHAAMO COc1ccc(CCN(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccc(OC)c(OC)c3)C2)cc1OC ZINC000004102035 523938795 /nfs/dbraw/zinc/93/87/95/523938795.db2.gz XJJDWEDQSMGTCV-NRFANRHFSA-N 1 1 456.583 3.634 50 0 JHAAMO CCc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(Cl)c2)c(-n2cnnc2)c1 ZINC000033087391 524005518 /nfs/dbraw/zinc/00/55/18/524005518.db2.gz QWJCIOKQUFNDJN-UHFFFAOYSA-N 1 1 468.989 3.643 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccccc3)s2)cc1 ZINC000033027996 524110097 /nfs/dbraw/zinc/11/00/97/524110097.db2.gz HOEYGRIILFBKDS-GOSISDBHSA-N 1 1 479.606 3.974 50 0 JHAAMO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000022801805 524155658 /nfs/dbraw/zinc/15/56/58/524155658.db2.gz STPMJODYVSYLJI-VWLOTQADSA-N 1 1 450.627 3.906 50 0 JHAAMO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000022801805 524155661 /nfs/dbraw/zinc/15/56/61/524155661.db2.gz STPMJODYVSYLJI-VWLOTQADSA-N 1 1 450.627 3.906 50 0 JHAAMO C[C@H](CNC(=O)c1cn(C)c2ccccc2c1=O)Oc1cccc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000012330968 524471798 /nfs/dbraw/zinc/47/17/98/524471798.db2.gz YHZWJXJZYYLRGC-LJQANCHMSA-N 1 1 459.546 3.961 50 0 JHAAMO COc1ccccc1NC(=O)Nc1nc(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000016047505 524616801 /nfs/dbraw/zinc/61/68/01/524616801.db2.gz IQMNBYIVAJZHEZ-UHFFFAOYSA-N 1 1 465.579 3.683 50 0 JHAAMO COc1ccc(OC)c(CC(=O)N2CCOc3ccc(C[N@@H+](C)CCc4ccccn4)cc3C2)c1 ZINC000012217848 524813401 /nfs/dbraw/zinc/81/34/01/524813401.db2.gz BXCKWVCYJHMONX-UHFFFAOYSA-N 1 1 475.589 3.737 50 0 JHAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCOCC3)[N@H+](C3C4CC5CC(C4)CC3C5)C2)cc1 ZINC000012332505 525109635 /nfs/dbraw/zinc/10/96/35/525109635.db2.gz QQXKRPWLLKOEJE-WTEZHLRRSA-N 1 1 456.652 3.914 50 0 JHAAMO Cc1ccc(NC(=O)c2nnc(SCC(=O)NCCC[N@H+]3CCc4ccccc4C3)s2)cc1 ZINC000033261370 525260766 /nfs/dbraw/zinc/26/07/66/525260766.db2.gz HNCNPAGDJPWDMB-UHFFFAOYSA-N 1 1 481.647 3.756 50 0 JHAAMO COc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000022698146 525380576 /nfs/dbraw/zinc/38/05/76/525380576.db2.gz KSBYTUCBLJSHFR-HHHXNRCGSA-N 1 1 486.572 3.819 50 0 JHAAMO Cc1c(C(=O)NCCC[N@H+](Cc2ccco2)C2CCCC2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033266109 525610360 /nfs/dbraw/zinc/61/03/60/525610360.db2.gz VCPXEBJFIWIGPA-UHFFFAOYSA-N 1 1 496.681 3.909 50 0 JHAAMO Cc1c(C(=O)NCCC[N@@H+](Cc2ccco2)C2CCCC2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033266109 525610373 /nfs/dbraw/zinc/61/03/73/525610373.db2.gz VCPXEBJFIWIGPA-UHFFFAOYSA-N 1 1 496.681 3.909 50 0 JHAAMO CSc1nc2nc(C)c(CCC(=O)Nc3nc(C[NH+]4C[C@H](C)C[C@@H](C)C4)cs3)c(C)n2n1 ZINC000014529399 526218596 /nfs/dbraw/zinc/21/85/96/526218596.db2.gz KOSUZZMMLKKSAO-ZIAGYGMSSA-N 1 1 473.672 3.969 50 0 JHAAMO COc1cccc(Oc2c(C[N@H+](C[C@@H](O)CN3CCOCC3)C3CC3)c(C)nn2-c2ccccc2)c1 ZINC000036303893 526241885 /nfs/dbraw/zinc/24/18/85/526241885.db2.gz GJGOMUICWYLPQQ-DEOSSOPVSA-N 1 1 492.620 3.639 50 0 JHAAMO COc1cccc(Oc2c(C[N@@H+](C[C@@H](O)CN3CCOCC3)C3CC3)c(C)nn2-c2ccccc2)c1 ZINC000036303893 526241891 /nfs/dbraw/zinc/24/18/91/526241891.db2.gz GJGOMUICWYLPQQ-DEOSSOPVSA-N 1 1 492.620 3.639 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033062164 526248231 /nfs/dbraw/zinc/24/82/31/526248231.db2.gz IGGCFTJVJSXEES-HNNXBMFYSA-N 1 1 450.008 3.757 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021864185 526249511 /nfs/dbraw/zinc/24/95/11/526249511.db2.gz WAHZMLAZTCIQKN-SIBVEZHUSA-N 1 1 452.599 3.896 50 0 JHAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2cccs2)C[N@@H+](Cc2ccncc2)C1 ZINC000014743578 527204065 /nfs/dbraw/zinc/20/40/65/527204065.db2.gz XISCTMKRVMOPLP-RBUKOAKNSA-N 1 1 452.555 3.675 50 0 JHAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCCc2ccccc2)C[N@@H+](Cc2ccncc2)C1 ZINC000014749809 527204183 /nfs/dbraw/zinc/20/41/83/527204183.db2.gz IAYNOFKDQSLDCD-XZOQPEGZSA-N 1 1 460.553 3.656 50 0 JHAAMO Cc1nn(-c2ccc(-c3ccccc3)nn2)c(C)c1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000033307987 527518660 /nfs/dbraw/zinc/51/86/60/527518660.db2.gz WLTGYFNRGIGIQC-UHFFFAOYSA-N 1 1 480.638 3.585 50 0 JHAAMO CCN1CCN(C(=O)Nc2ccc(Cc3ccc(NC(=O)N4CC[NH+](CC)CC4)cc3)cc2)CC1 ZINC000000908330 553840585 /nfs/dbraw/zinc/84/05/85/553840585.db2.gz IIIUUNWSGPXZME-UHFFFAOYSA-N 1 1 478.641 3.616 50 0 JHAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1cccs1 ZINC000002300956 554139356 /nfs/dbraw/zinc/13/93/56/554139356.db2.gz RYZGKALNZZKHDS-LJQANCHMSA-N 1 1 455.561 3.879 50 0 JHAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1cccs1 ZINC000002300956 554139361 /nfs/dbraw/zinc/13/93/61/554139361.db2.gz RYZGKALNZZKHDS-LJQANCHMSA-N 1 1 455.561 3.879 50 0 JHAAMO CCCC[N@@H+](C)CCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O ZINC000008933404 554827500 /nfs/dbraw/zinc/82/75/00/554827500.db2.gz ODJALVBQOHBDNI-UHFFFAOYSA-N 1 1 477.584 3.777 50 0 JHAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CN2c3cc(Cl)ccc3Oc3ncccc3C2=O)C1 ZINC000009151501 554938961 /nfs/dbraw/zinc/93/89/61/554938961.db2.gz LWZLKMKMIQPJML-CALCHBBNSA-N 1 1 456.974 3.972 50 0 JHAAMO CCCn1c2ccccc2c2cnn(CC(=O)NC[C@H]3CC[N@@H+](Cc4ccc(C)cc4)C3)c(=O)c21 ZINC000009153457 554943178 /nfs/dbraw/zinc/94/31/78/554943178.db2.gz QFQZOFFSFLDVSW-JOCHJYFZSA-N 1 1 471.605 3.708 50 0 JHAAMO CC[C@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)c(Cl)c1 ZINC000009243692 555018828 /nfs/dbraw/zinc/01/88/28/555018828.db2.gz AJYNWRCRXKVNOE-HNNXBMFYSA-N 1 1 464.397 3.553 50 0 JHAAMO CC[C@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)c(Cl)c1 ZINC000009243692 555018831 /nfs/dbraw/zinc/01/88/31/555018831.db2.gz AJYNWRCRXKVNOE-HNNXBMFYSA-N 1 1 464.397 3.553 50 0 JHAAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009647880 555361929 /nfs/dbraw/zinc/36/19/29/555361929.db2.gz RCVWEKKRPKIUMH-IBGZPJMESA-N 1 1 456.612 3.901 50 0 JHAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1cc2c(s1)c1ccccc1[nH]c2=O ZINC000009681686 555409439 /nfs/dbraw/zinc/40/94/39/555409439.db2.gz NRZWAOZXZZGREY-UHFFFAOYSA-N 1 1 464.566 3.824 50 0 JHAAMO CC[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000009742393 555474262 /nfs/dbraw/zinc/47/42/62/555474262.db2.gz TYRCSSFHEPOZGV-QHCPKHFHSA-N 1 1 484.666 3.745 50 0 JHAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2c1C ZINC000009789672 555508342 /nfs/dbraw/zinc/50/83/42/555508342.db2.gz IVVGSRGOPFOSFQ-UHFFFAOYSA-N 1 1 485.679 3.556 50 0 JHAAMO CCCCCCOc1ccc(N2C(=O)C[C@H](N3CC[NH+](CCc4ccccn4)CC3)C2=O)cc1 ZINC000019890296 555529810 /nfs/dbraw/zinc/52/98/10/555529810.db2.gz VCDLMSXSJOXOJX-VWLOTQADSA-N 1 1 464.610 3.533 50 0 JHAAMO O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013690558 555584433 /nfs/dbraw/zinc/58/44/33/555584433.db2.gz IYVRHIOOEIOMDV-UHFFFAOYSA-N 1 1 494.595 3.655 50 0 JHAAMO O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000013692854 555587683 /nfs/dbraw/zinc/58/76/83/555587683.db2.gz CDRMLMSKJSHXSK-UHFFFAOYSA-N 1 1 469.541 3.621 50 0 biogenic JHAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000013726197 555600604 /nfs/dbraw/zinc/60/06/04/555600604.db2.gz NCPKRPQZGUGTBT-ZASNTINBSA-N 1 1 490.563 3.685 50 0 JHAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020064397 555624474 /nfs/dbraw/zinc/62/44/74/555624474.db2.gz GGLGGDYUZMVJOR-INIZCTEOSA-N 1 1 454.958 3.753 50 0 JHAAMO COc1ccccc1[C@H](CNC(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1)[NH+](C)C ZINC000010136951 555636121 /nfs/dbraw/zinc/63/61/21/555636121.db2.gz CZFIVPHNCHPGQT-FQEVSTJZSA-N 1 1 467.639 3.952 50 0 JHAAMO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000020108963 555644314 /nfs/dbraw/zinc/64/43/14/555644314.db2.gz WFWGWLDBQDVJGS-RRPNLBNLSA-N 1 1 469.585 3.950 50 0 JHAAMO COc1ccc([C@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000020108965 555644358 /nfs/dbraw/zinc/64/43/58/555644358.db2.gz WFWGWLDBQDVJGS-SVBPBHIXSA-N 1 1 469.585 3.950 50 0 JHAAMO Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc12 ZINC000020153798 555673440 /nfs/dbraw/zinc/67/34/40/555673440.db2.gz KZQKJXVUTGQWIZ-PMACEKPBSA-N 1 1 468.715 3.949 50 0 JHAAMO Cc1ccccc1-c1cccc(C[N@@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c1 ZINC000020168577 555679178 /nfs/dbraw/zinc/67/91/78/555679178.db2.gz IPFMQGHJRJCZLR-DEOSSOPVSA-N 1 1 467.639 3.558 50 0 JHAAMO Cc1ccsc1C[N@@H+](C)[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000014093096 555685524 /nfs/dbraw/zinc/68/55/24/555685524.db2.gz YUUBWFDJHXOFDI-XMMPIXPASA-N 1 1 499.658 3.889 50 0 JHAAMO Cc1ccsc1C[N@H+](C)[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000014093096 555685529 /nfs/dbraw/zinc/68/55/29/555685529.db2.gz YUUBWFDJHXOFDI-XMMPIXPASA-N 1 1 499.658 3.889 50 0 JHAAMO CCn1nc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccccc2c1=O ZINC000014171470 555722461 /nfs/dbraw/zinc/72/24/61/555722461.db2.gz DWGWLGFFIKDHPF-UHFFFAOYSA-N 1 1 452.558 3.964 50 0 JHAAMO O=C(CCn1nc(-c2cccs2)oc1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014181132 555723756 /nfs/dbraw/zinc/72/37/56/555723756.db2.gz CFAQMWMRVZQIJD-UHFFFAOYSA-N 1 1 474.586 3.889 50 0 JHAAMO Cc1ccc(C)c(CN2c3cc(C(=O)NCC[NH+](C)C)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000020243226 555740116 /nfs/dbraw/zinc/74/01/16/555740116.db2.gz HYABHEIHTOHSTL-UHFFFAOYSA-N 1 1 491.613 3.588 50 0 JHAAMO O=C(CSc1ncccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2 ZINC000014241735 555743173 /nfs/dbraw/zinc/74/31/73/555743173.db2.gz QYIITOPZTNEDHC-HXUWFJFHSA-N 1 1 490.585 3.545 50 0 JHAAMO COc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1S(=O)(=O)N1CCCC1 ZINC000014245940 555748460 /nfs/dbraw/zinc/74/84/60/555748460.db2.gz TXELBBRHZZMFPU-OAQYLSRUSA-N 1 1 492.041 3.700 50 0 JHAAMO Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)N1CC[NH+](Cc3ccccc3)CC1)nc2C ZINC000020563892 555816348 /nfs/dbraw/zinc/81/63/48/555816348.db2.gz IFGHDCHMEANYDW-UHFFFAOYSA-N 1 1 498.631 3.632 50 0 JHAAMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc(-c2ccccc2)cc(S(=O)(=O)N2CCSCC2)c1 ZINC000014537449 555827105 /nfs/dbraw/zinc/82/71/05/555827105.db2.gz QITKRXJIXAIRNL-HXUWFJFHSA-N 1 1 487.691 3.505 50 0 JHAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCO2)C[N@H+](Cc2ccccc2)C1 ZINC000014541969 555832708 /nfs/dbraw/zinc/83/27/08/555832708.db2.gz PJYIWMFKQUYDJY-GSLIJJQTSA-N 1 1 461.606 3.547 50 0 JHAAMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(NCc3ccccc3F)cc(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000014542519 555833388 /nfs/dbraw/zinc/83/33/88/555833388.db2.gz WPIJLGVCANDXNH-SFHVURJKSA-N 1 1 490.645 3.586 50 0 JHAAMO Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CC[NH+](CCc2ccncc2)CC1)OC(C)(C)CC3 ZINC000020592057 555838620 /nfs/dbraw/zinc/83/86/20/555838620.db2.gz IPXIXJAQCKLULT-UHFFFAOYSA-N 1 1 475.589 3.529 50 0 JHAAMO O=C(NCCCOc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1)c1cccc(Cl)c1 ZINC000020599484 555840866 /nfs/dbraw/zinc/84/08/66/555840866.db2.gz JEVANRYRXYVVOE-UHFFFAOYSA-N 1 1 465.985 3.651 50 0 JHAAMO CCOc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(CCn3nc(C)cc3C)C4=O)CC2)cc1 ZINC000015068055 555868472 /nfs/dbraw/zinc/86/84/72/555868472.db2.gz UBBAJGKAPDOGKY-UHFFFAOYSA-N 1 1 487.604 3.517 50 0 JHAAMO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000011965293 555871560 /nfs/dbraw/zinc/87/15/60/555871560.db2.gz WSMDUXRQRLJYDJ-GOSISDBHSA-N 1 1 453.546 3.992 50 0 JHAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](CC(c2ccccc2)c2ccccc2)CC3)cc1 ZINC000012055174 555898142 /nfs/dbraw/zinc/89/81/42/555898142.db2.gz KOMHNLWPERBZNH-UHFFFAOYSA-N 1 1 495.627 3.949 50 0 JHAAMO O=C(NCc1ccccc1Cl)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908133 555965063 /nfs/dbraw/zinc/96/50/63/555965063.db2.gz VPKOPSGLUMRPMT-NRFANRHFSA-N 1 1 453.995 3.934 50 0 JHAAMO O=C(NCc1ccccc1Cl)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908133 555965066 /nfs/dbraw/zinc/96/50/66/555965066.db2.gz VPKOPSGLUMRPMT-NRFANRHFSA-N 1 1 453.995 3.934 50 0 JHAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000022912782 555968093 /nfs/dbraw/zinc/96/80/93/555968093.db2.gz RZLILCOQNNRQSO-UHFFFAOYSA-N 1 1 453.345 3.717 50 0 JHAAMO O=C(CN1CC[NH+](CCOc2ccccc2)CC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000022920344 555974200 /nfs/dbraw/zinc/97/42/00/555974200.db2.gz REVINGPYWIKZSM-UHFFFAOYSA-N 1 1 476.552 3.713 50 0 JHAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)C3CCN(c4nc5cccnc5s4)CC3)C[C@@H]2C)c1 ZINC000015770305 555988684 /nfs/dbraw/zinc/98/86/84/555988684.db2.gz JQEHARRYNQKTFZ-NRFANRHFSA-N 1 1 492.693 3.933 50 0 JHAAMO CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CN2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000023078112 556005837 /nfs/dbraw/zinc/00/58/37/556005837.db2.gz ONPSJAXYYLZKAQ-UHFFFAOYSA-N 1 1 498.693 3.786 50 0 JHAAMO CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)c2)cc1 ZINC000012535960 556008533 /nfs/dbraw/zinc/00/85/33/556008533.db2.gz IONAHLJQDQAYFI-NRFANRHFSA-N 1 1 457.552 3.512 50 0 JHAAMO CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)c2)cc1 ZINC000012535959 556008592 /nfs/dbraw/zinc/00/85/92/556008592.db2.gz IONAHLJQDQAYFI-OAQYLSRUSA-N 1 1 457.552 3.512 50 0 JHAAMO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(-n3c4ccccc4nc3NCCO)c2c1C ZINC000012547571 556024403 /nfs/dbraw/zinc/02/44/03/556024403.db2.gz GBADEPNKNXBZOB-UHFFFAOYSA-N 1 1 494.621 3.905 50 0 JHAAMO O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000015996123 556102901 /nfs/dbraw/zinc/10/29/01/556102901.db2.gz RWSWEWMKANHCQA-MSZDEVHKSA-N 1 1 457.917 3.924 50 0 JHAAMO O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015996123 556102905 /nfs/dbraw/zinc/10/29/05/556102905.db2.gz RWSWEWMKANHCQA-MSZDEVHKSA-N 1 1 457.917 3.924 50 0 JHAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016009834 556108542 /nfs/dbraw/zinc/10/85/42/556108542.db2.gz WGHMGPQAYAMOOB-QLBZUPSYSA-N 1 1 470.356 3.987 50 0 JHAAMO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016009827 556108599 /nfs/dbraw/zinc/10/85/99/556108599.db2.gz CXVXKPKTULILJJ-WYNJNVBPSA-N 1 1 451.526 3.833 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016013124 556112002 /nfs/dbraw/zinc/11/20/02/556112002.db2.gz GEEXJIYBFWBDSH-DDOIHHOZSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016013124 556112004 /nfs/dbraw/zinc/11/20/04/556112004.db2.gz GEEXJIYBFWBDSH-DDOIHHOZSA-N 1 1 456.329 3.733 50 0 JHAAMO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016013055 556112048 /nfs/dbraw/zinc/11/20/48/556112048.db2.gz OELBYWDBWPHILU-NARGUJOISA-N 1 1 470.356 3.987 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000016033710 556118124 /nfs/dbraw/zinc/11/81/24/556118124.db2.gz KZUDYHWLXJBKJQ-SUWCGCSTSA-N 1 1 460.292 3.564 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016033710 556118128 /nfs/dbraw/zinc/11/81/28/556118128.db2.gz KZUDYHWLXJBKJQ-SUWCGCSTSA-N 1 1 460.292 3.564 50 0 JHAAMO CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc2)cc1 ZINC000024755642 556150274 /nfs/dbraw/zinc/15/02/74/556150274.db2.gz KHSAEUDGQUPNFN-NRFANRHFSA-N 1 1 457.552 3.512 50 0 JHAAMO O=C(C1CCN(c2ncnc3c4cccnc4sc32)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016842231 556164147 /nfs/dbraw/zinc/16/41/47/556164147.db2.gz KFBIVINNHAPDTC-UHFFFAOYSA-N 1 1 472.618 3.800 50 0 JHAAMO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccc(I)cc1 ZINC000012975590 556167889 /nfs/dbraw/zinc/16/78/89/556167889.db2.gz VNRVNNVVLJYSQC-OAHLLOKOSA-N 1 1 463.319 3.580 50 0 JHAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccc(I)cc1 ZINC000012975590 556167891 /nfs/dbraw/zinc/16/78/91/556167891.db2.gz VNRVNNVVLJYSQC-OAHLLOKOSA-N 1 1 463.319 3.580 50 0 JHAAMO O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000025052502 556175191 /nfs/dbraw/zinc/17/51/91/556175191.db2.gz JNJDQGFTIYNYPM-IZZNHLLZSA-N 1 1 457.574 3.915 50 0 JHAAMO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)ccc1C ZINC000012991989 556184533 /nfs/dbraw/zinc/18/45/33/556184533.db2.gz DHASESVIYQUTAL-JKSUJKDBSA-N 1 1 453.555 3.982 50 0 JHAAMO COc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](C)[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000025636743 556228031 /nfs/dbraw/zinc/22/80/31/556228031.db2.gz SUAXHUMEZZKYEU-LJQANCHMSA-N 1 1 479.602 3.673 50 0 JHAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000026851001 556264814 /nfs/dbraw/zinc/26/48/14/556264814.db2.gz YWZHPRQSLIDCNG-LIONHTAISA-N 1 1 479.492 3.569 50 0 JHAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000026851001 556264817 /nfs/dbraw/zinc/26/48/17/556264817.db2.gz YWZHPRQSLIDCNG-LIONHTAISA-N 1 1 479.492 3.569 50 0 JHAAMO CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3OC)[NH+](C)C)cc2)cc1 ZINC000018011490 556276166 /nfs/dbraw/zinc/27/61/66/556276166.db2.gz HRMMDWQQTMQDJT-DEOSSOPVSA-N 1 1 497.617 3.927 50 0 JHAAMO C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000027904217 556309550 /nfs/dbraw/zinc/30/95/50/556309550.db2.gz IKCAENKIPCPJRQ-HNNXBMFYSA-N 1 1 458.035 3.781 50 0 JHAAMO O=c1c(CN2CCN(c3ccccn3)CC2)cc2cc3c(cc2n1CC[NH+]1CCCCC1)CCC3 ZINC000019113861 556330973 /nfs/dbraw/zinc/33/09/73/556330973.db2.gz AOYXMCTYGSLCFJ-UHFFFAOYSA-N 1 1 471.649 3.693 50 0 JHAAMO O=C(COc1ccc2c(c1)CCC(=O)N2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000029251674 556349462 /nfs/dbraw/zinc/34/94/62/556349462.db2.gz SUDBUNZMCLMERQ-UHFFFAOYSA-N 1 1 455.558 3.884 50 0 JHAAMO O=C(CC[NH+]1CCOCC1)Nc1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1 ZINC000019789145 556370071 /nfs/dbraw/zinc/37/00/71/556370071.db2.gz YTHFFUVZEDOCFC-UHFFFAOYSA-N 1 1 456.340 3.618 50 0 JHAAMO O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019800315 556377136 /nfs/dbraw/zinc/37/71/36/556377136.db2.gz DEHWDKBELNKJKP-UHFFFAOYSA-N 1 1 484.021 3.880 50 0 JHAAMO Cc1ccc(C(=O)N2CCC(CC(=O)NCC[NH+]3CCN(c4cccc(C)c4C)CC3)CC2)cc1 ZINC000032974226 569605369 /nfs/dbraw/zinc/60/53/69/569605369.db2.gz UDLJHOXVNCVKIH-UHFFFAOYSA-N 1 1 476.665 3.793 50 0 JHAAMO O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000062333888 569610707 /nfs/dbraw/zinc/61/07/07/569610707.db2.gz BWVWBFSGEJJRKC-UHFFFAOYSA-N 1 1 490.069 3.905 50 0 JHAAMO COc1ccc([C@H]([NH2+]CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc2)cc1 ZINC000062716131 569614540 /nfs/dbraw/zinc/61/45/40/569614540.db2.gz XWGVOLSJJYQQDV-AREMUKBSSA-N 1 1 479.602 3.797 50 0 JHAAMO Cc1cc2nc(C)c(=O)n(CCC(=O)NCC[NH+]3CCN(c4cc(Cl)ccc4C)CC3)c2cc1C ZINC000033005729 569614531 /nfs/dbraw/zinc/61/45/31/569614531.db2.gz BLBDKPNOKJCALV-UHFFFAOYSA-N 1 1 496.055 3.612 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3ccc(OC)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000063584617 569615557 /nfs/dbraw/zinc/61/55/57/569615557.db2.gz HYMGIUPVXZPXIU-UHFFFAOYSA-N 1 1 497.640 3.773 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(Cn2c(=O)c3cccn3c3cccnc32)c1 ZINC000033018543 569618370 /nfs/dbraw/zinc/61/83/70/569618370.db2.gz GAWDTUZMRBCPRU-FQEVSTJZSA-N 1 1 457.578 3.692 50 0 JHAAMO CC[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H](CC)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839512 569637255 /nfs/dbraw/zinc/63/72/55/569637255.db2.gz AAADDBJELVCHDF-NFBKMPQASA-N 1 1 459.594 3.866 50 0 JHAAMO COc1ccc(CC(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000034697943 569647687 /nfs/dbraw/zinc/64/76/87/569647687.db2.gz NNRBZFQAOWCSQL-OFNKIYASSA-N 1 1 462.512 3.831 50 0 JHAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(C(=O)c2cccc(F)c2)CC3)CC1 ZINC000034758422 569657327 /nfs/dbraw/zinc/65/73/27/569657327.db2.gz OXIGZIHWZPOBAZ-UHFFFAOYSA-N 1 1 483.494 3.637 50 0 JHAAMO COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1CN(C(=O)c1cccc(C)c1)CC2 ZINC000034758947 569657483 /nfs/dbraw/zinc/65/74/83/569657483.db2.gz YYKPKUMQIMBTPP-UHFFFAOYSA-N 1 1 473.577 3.536 50 0 JHAAMO O=C(COCc1ccccc1)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787132 569659585 /nfs/dbraw/zinc/65/95/85/569659585.db2.gz XPBDNPYSRFVPJU-NDEPHWFRSA-N 1 1 489.641 3.583 50 0 JHAAMO O=C(COCc1ccccc1)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787132 569659587 /nfs/dbraw/zinc/65/95/87/569659587.db2.gz XPBDNPYSRFVPJU-NDEPHWFRSA-N 1 1 489.641 3.583 50 0 JHAAMO COc1ccc(-c2noc(-c3ccc(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)nc3)n2)cc1 ZINC000065097854 569661721 /nfs/dbraw/zinc/66/17/21/569661721.db2.gz XIPJGRWZFUXEKW-UHFFFAOYSA-N 1 1 471.517 3.858 50 0 JHAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000034859827 569667807 /nfs/dbraw/zinc/66/78/07/569667807.db2.gz BFCUQLFYZKBJHE-CEYNDMKZSA-N 1 1 463.578 3.882 50 0 JHAAMO C[C@@H]1Cc2cc(C(=O)Nc3nc(C[N@H+]4C[C@H](C)C[C@H](C)C4)cs3)ccc2N1S(C)(=O)=O ZINC000034873394 569668594 /nfs/dbraw/zinc/66/85/94/569668594.db2.gz REPVYWFLCNTWKW-OWCLPIDISA-N 1 1 462.641 3.584 50 0 JHAAMO C[C@@H]1Cc2cc(C(=O)Nc3nc(C[N@@H+]4C[C@H](C)C[C@H](C)C4)cs3)ccc2N1S(C)(=O)=O ZINC000034873394 569668595 /nfs/dbraw/zinc/66/85/95/569668595.db2.gz REPVYWFLCNTWKW-OWCLPIDISA-N 1 1 462.641 3.584 50 0 JHAAMO C[C@H](c1nccs1)N1C(=O)c2cccc(N3CC[NH+](Cc4ccccc4F)CC3)c2C1=O ZINC000067490412 569688526 /nfs/dbraw/zinc/68/85/26/569688526.db2.gz QIESPNRSTDRKDG-MRXNPFEDSA-N 1 1 450.539 3.962 50 0 JHAAMO COc1ccc(OC)c([C@@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)[NH+]2CCCCC2)c1 ZINC000035671870 569706350 /nfs/dbraw/zinc/70/63/50/569706350.db2.gz KPILIFNXHHDUIK-MRXNPFEDSA-N 1 1 486.619 3.747 50 0 JHAAMO COc1cc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)cc2c1OCCO2 ZINC000085876110 569715875 /nfs/dbraw/zinc/71/58/75/569715875.db2.gz UQGIVVHSPQUXLE-SIKLNZKXSA-N 1 1 479.577 3.713 50 0 biogenic JHAAMO CCn1cc([C@H](CC(=O)NCCC[NH+]2CCOCC2)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000035872272 569719203 /nfs/dbraw/zinc/71/92/03/569719203.db2.gz WGJGMNGHNQGYKJ-JOCHJYFZSA-N 1 1 463.578 3.750 50 0 JHAAMO O=C(NC[C@@H]1CCCO1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035908084 569723937 /nfs/dbraw/zinc/72/39/37/569723937.db2.gz RELDWTWMSMMLHR-TUNNFDKTSA-N 1 1 451.533 3.606 50 0 JHAAMO CCc1ccc(S(=O)(=O)N2CCN(c3cc(Nc4ccc(C)cc4)[nH+]c(C)n3)CC2)cc1 ZINC000096646351 569742731 /nfs/dbraw/zinc/74/27/31/569742731.db2.gz VJNNIXSHBHICNN-UHFFFAOYSA-N 1 1 451.596 3.910 50 0 JHAAMO CC[NH+]1CCN(C(=O)CCN(CC(C)C)C(=O)c2cc(-c3c(C)cc(C)cc3C)on2)CC1 ZINC000036015881 569749203 /nfs/dbraw/zinc/74/92/03/569749203.db2.gz ASLGVGPTZZPKIN-UHFFFAOYSA-N 1 1 454.615 3.919 50 0 JHAAMO COCCN(Cc1c(-c2ccccc2)noc1N1CC[NH+](C)CC1)C(=O)c1cccc(F)c1 ZINC000036313465 569760805 /nfs/dbraw/zinc/76/08/05/569760805.db2.gz IDYOKUAPPRVIKC-UHFFFAOYSA-N 1 1 452.530 3.521 50 0 JHAAMO COc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c(OC)c1 ZINC000036342486 569765741 /nfs/dbraw/zinc/76/57/41/569765741.db2.gz CYRQDWYIFLNAKZ-DEOSSOPVSA-N 1 1 479.577 3.529 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343430 569766368 /nfs/dbraw/zinc/76/63/68/569766368.db2.gz FKTXJVZBLFFLPO-OFVILXPXSA-N 1 1 493.604 3.965 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343430 569766369 /nfs/dbraw/zinc/76/63/69/569766369.db2.gz FKTXJVZBLFFLPO-OFVILXPXSA-N 1 1 493.604 3.965 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343357 569766387 /nfs/dbraw/zinc/76/63/87/569766387.db2.gz BKXWTMALVGKYPV-RDPSFJRHSA-N 1 1 479.577 3.657 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343357 569766388 /nfs/dbraw/zinc/76/63/88/569766388.db2.gz BKXWTMALVGKYPV-RDPSFJRHSA-N 1 1 479.577 3.657 50 0 JHAAMO COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCC[NH+]4CCC(C)CC4)c3=O)c2c1 ZINC000101497516 569800761 /nfs/dbraw/zinc/80/07/61/569800761.db2.gz XAKDJONMYNIALV-UHFFFAOYSA-N 1 1 471.627 3.567 50 0 JHAAMO Cc1cc(N2C[C@@H](C(=O)N3CCC(C[N@H+](C)C(C)C)CC3)CC2=O)ccc1Br ZINC000039563768 569810866 /nfs/dbraw/zinc/81/08/66/569810866.db2.gz CNJLZGHOOUMURJ-SFHVURJKSA-N 1 1 450.421 3.689 50 0 JHAAMO CCC1=C(C(=O)OC)[C@@H](c2ccccc2)N2C(CC(=O)NCC[C@@H]3CCC[N@H+]3C)=CSC2=N1 ZINC000102940741 569829507 /nfs/dbraw/zinc/82/95/07/569829507.db2.gz LUAGUDCSDBTRAV-FDDCHVKYSA-N 1 1 468.623 3.815 50 0 JHAAMO CC(=O)c1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc(-c5ccccc5)no4)CC3)CC2)cc1 ZINC000040926773 569834721 /nfs/dbraw/zinc/83/47/21/569834721.db2.gz PKWBWUSFLOFXQJ-UHFFFAOYSA-N 1 1 473.577 3.500 50 0 JHAAMO COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCCC[N@H+]4CCC[C@H](C)C4)CC3)[nH]c2c1 ZINC000103903334 569838936 /nfs/dbraw/zinc/83/89/36/569838936.db2.gz LOJMUAFEQYXWTO-VQTJNVASSA-N 1 1 468.642 3.903 50 0 JHAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104983797 569848165 /nfs/dbraw/zinc/84/81/65/569848165.db2.gz VNUJBUXDHUWIGF-FGZHOGPDSA-N 1 1 458.530 3.583 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000105000126 569848858 /nfs/dbraw/zinc/84/88/58/569848858.db2.gz QBDMXLHSCBAFKB-OFVILXPXSA-N 1 1 472.649 3.523 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000105011350 569850990 /nfs/dbraw/zinc/85/09/90/569850990.db2.gz PCPXWTVASYEVPH-DENIHFKCSA-N 1 1 481.524 3.507 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000105011350 569850992 /nfs/dbraw/zinc/85/09/92/569850992.db2.gz PCPXWTVASYEVPH-DENIHFKCSA-N 1 1 481.524 3.507 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000138085761 569865684 /nfs/dbraw/zinc/86/56/84/569865684.db2.gz OIRQYYWGWGDPGU-FXKZBUDASA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000138085761 569865685 /nfs/dbraw/zinc/86/56/85/569865685.db2.gz OIRQYYWGWGDPGU-FXKZBUDASA-N 1 1 456.329 3.733 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](O)COCC ZINC000169679477 569869730 /nfs/dbraw/zinc/86/97/30/569869730.db2.gz GGJRHBRRDUBYHT-NFBKMPQASA-N 1 1 460.640 3.671 50 0 JHAAMO C[C@H](C(=O)NCC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1)c1n[nH]c(=O)c2ccccc21 ZINC000216137252 569877814 /nfs/dbraw/zinc/87/78/14/569877814.db2.gz IEQAWYCHGBSWSI-AVRWGWEMSA-N 1 1 486.547 3.918 50 0 JHAAMO C[C@H](C(=O)NCC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1)c1n[nH]c(=O)c2ccccc21 ZINC000216137252 569877815 /nfs/dbraw/zinc/87/78/15/569877815.db2.gz IEQAWYCHGBSWSI-AVRWGWEMSA-N 1 1 486.547 3.918 50 0 JHAAMO C[N@@H+]1CCN(C(=O)/C=C\c2ccc(S(=O)(=O)N3CCCCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000229621964 570040825 /nfs/dbraw/zinc/04/08/25/570040825.db2.gz CJLRTGZBSCLYRL-NDRLBKOSSA-N 1 1 467.635 3.780 50 0 JHAAMO C[N@H+]1CCN(C(=O)/C=C\c2ccc(S(=O)(=O)N3CCCCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000229621964 570040827 /nfs/dbraw/zinc/04/08/27/570040827.db2.gz CJLRTGZBSCLYRL-NDRLBKOSSA-N 1 1 467.635 3.780 50 0 JHAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](C(=O)OCC)C2)N(CC)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000230025447 570043728 /nfs/dbraw/zinc/04/37/28/570043728.db2.gz MVKSTUUOBBQJRN-QPPBQGQZSA-N 1 1 485.625 3.989 50 0 JHAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)N(CC)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000230025447 570043729 /nfs/dbraw/zinc/04/37/29/570043729.db2.gz MVKSTUUOBBQJRN-QPPBQGQZSA-N 1 1 485.625 3.989 50 0 JHAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248333472 570077658 /nfs/dbraw/zinc/07/76/58/570077658.db2.gz KEQYJSODVIVFTK-RAZUEPIFSA-N 1 1 469.463 3.753 50 0 JHAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000248336140 570077938 /nfs/dbraw/zinc/07/79/38/570077938.db2.gz NZYCMCCCVXKSJG-KKQCDPINSA-N 1 1 451.526 3.888 50 0 JHAAMO FC(F)(F)c1cccc(N2CCN(C3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)CC2)n1 ZINC000252507501 570082601 /nfs/dbraw/zinc/08/26/01/570082601.db2.gz WNICWYUEYMGGNN-IBGZPJMESA-N 1 1 462.516 3.527 50 0 JHAAMO O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253399560 570096445 /nfs/dbraw/zinc/09/64/45/570096445.db2.gz DBJKSNRMMNNQOH-CNPGNWEMSA-N 1 1 472.589 3.572 50 0 biogenic JHAAMO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[N@@H+](CC)C3)cc1 ZINC000003007004 194202051 /nfs/dbraw/zinc/20/20/51/194202051.db2.gz MTWYQSFAZNAGLB-UHFFFAOYSA-N 1 1 493.651 3.586 50 0 JHAAMO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[N@H+](CC)C3)cc1 ZINC000003007004 194202052 /nfs/dbraw/zinc/20/20/52/194202052.db2.gz MTWYQSFAZNAGLB-UHFFFAOYSA-N 1 1 493.651 3.586 50 0 JHAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)C1 ZINC000004110480 194379027 /nfs/dbraw/zinc/37/90/27/194379027.db2.gz BPJDWULDKILAJI-HDICACEKSA-N 1 1 450.576 3.632 50 0 JHAAMO C[NH+](C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1)c1ccco1 ZINC000012605300 195050488 /nfs/dbraw/zinc/05/04/88/195050488.db2.gz XSPGBFQGQAPVEU-IBGZPJMESA-N 1 1 492.395 3.876 50 0 JHAAMO COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000012898493 195176462 /nfs/dbraw/zinc/17/64/62/195176462.db2.gz FDVNKSXTSOOWJL-UHFFFAOYSA-N 1 1 466.003 3.752 50 0 JHAAMO Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020865966 195234491 /nfs/dbraw/zinc/23/44/91/195234491.db2.gz CGZZVFNIOMPUIG-UHFFFAOYSA-N 1 1 482.632 3.909 50 0 JHAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)C[C@@H](C)O1 ZINC000021526646 195305096 /nfs/dbraw/zinc/30/50/96/195305096.db2.gz SASNXVVVXGGVPU-KCZVDYSFSA-N 1 1 451.611 3.696 50 0 JHAAMO CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@H+]4[C@H](c4ccc(Br)cc4)[C@H]3C2=O)cc1 ZINC000043732507 518345026 /nfs/dbraw/zinc/34/50/26/518345026.db2.gz MSJUEEZMEODLOC-XSDIEEQYSA-N 1 1 453.336 3.977 50 0 JHAAMO CCCCCC(=O)N(CCC[NH+]1CCOCC1)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000016652306 519922263 /nfs/dbraw/zinc/92/22/63/519922263.db2.gz AGSIGUZDDYDOGN-UHFFFAOYSA-N 1 1 469.626 3.940 50 0 JHAAMO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000014971630 521353468 /nfs/dbraw/zinc/35/34/68/521353468.db2.gz YWUSKYWREOOGCT-SANMLTNESA-N 1 1 451.567 3.831 50 0 JHAAMO CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([N@H+](C)Cc1csc(-c3cccs3)n1)C2 ZINC000014748851 521664696 /nfs/dbraw/zinc/66/46/96/521664696.db2.gz BSRARCDIQBLFHW-SFHVURJKSA-N 1 1 485.679 3.940 50 0 JHAAMO CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([N@@H+](C)Cc1csc(-c3cccs3)n1)C2 ZINC000014748851 521664698 /nfs/dbraw/zinc/66/46/98/521664698.db2.gz BSRARCDIQBLFHW-SFHVURJKSA-N 1 1 485.679 3.940 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccc(Nc3c(Oc4cccc(C)c4C)cnn(C)c3=O)cc2)CC1 ZINC000036073284 521670471 /nfs/dbraw/zinc/67/04/71/521670471.db2.gz GVAWWEKUSOLRTI-UHFFFAOYSA-N 1 1 461.566 3.711 50 0 JHAAMO CCN1CC[NH+](CCCNC(=O)c2cccc([C@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)CC1 ZINC000033035795 521681035 /nfs/dbraw/zinc/68/10/35/521681035.db2.gz JGVCXCVOVWMRIF-VWLOTQADSA-N 1 1 477.653 3.856 50 0 JHAAMO CCc1ccccc1O[C@H]1C(=O)N(CCCC[NH+]2CCOCC2)[C@@H]1c1cc(OC)ccc1OC ZINC000048237316 521924875 /nfs/dbraw/zinc/92/48/75/521924875.db2.gz ICJLJAQZPGMOQV-CLJLJLNGSA-N 1 1 468.594 3.710 50 0 JHAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1nccs1)CC[N@H+](CC[C@H](C)c1ccc(C)o1)CC2 ZINC000014879429 522016713 /nfs/dbraw/zinc/01/67/13/522016713.db2.gz DSIPZCFDIZBJOL-KRWDZBQOSA-N 1 1 484.622 3.539 50 0 JHAAMO CC[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCCS2 ZINC000064952315 522169049 /nfs/dbraw/zinc/16/90/49/522169049.db2.gz HDQOBGDJVNSSSM-HXUWFJFHSA-N 1 1 461.653 3.724 50 0 JHAAMO COc1cc(C)c(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1C ZINC000014993811 522195360 /nfs/dbraw/zinc/19/53/60/522195360.db2.gz NVAWACSKFIXXLM-NRFANRHFSA-N 1 1 461.610 3.772 50 0 JHAAMO COC(=O)c1sc2nc(C[N@H+](C[C@@H](O)COc3ccccc3)C3CCCCC3)[nH]c(=O)c2c1C ZINC000036207552 522435249 /nfs/dbraw/zinc/43/52/49/522435249.db2.gz YFAACUCSMHSRCS-GOSISDBHSA-N 1 1 485.606 3.654 50 0 JHAAMO COC(=O)c1sc2nc(C[N@@H+](C[C@@H](O)COc3ccccc3)C3CCCCC3)[nH]c(=O)c2c1C ZINC000036207552 522435262 /nfs/dbraw/zinc/43/52/62/522435262.db2.gz YFAACUCSMHSRCS-GOSISDBHSA-N 1 1 485.606 3.654 50 0 JHAAMO CCc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000033139829 522505988 /nfs/dbraw/zinc/50/59/88/522505988.db2.gz KCEIKLLYDKMZMJ-UHFFFAOYSA-N 1 1 471.403 3.914 50 0 JHAAMO Cn1cc(CC[N@@H+](C)[C@H]2CCc3c(sc4ncn(CCc5cccc(F)c5)c(=O)c34)C2)cn1 ZINC000014966848 522985313 /nfs/dbraw/zinc/98/53/13/522985313.db2.gz GJUUPPSGCFZJOX-FQEVSTJZSA-N 1 1 465.598 3.605 50 0 JHAAMO COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](C/C(Cl)=C/c3ccccc3)CC2)C1=O ZINC000014749266 523168951 /nfs/dbraw/zinc/16/89/51/523168951.db2.gz NCSKYOWNMKLBOH-NKFKGCMQSA-N 1 1 496.007 3.781 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)o1 ZINC000033077331 523177499 /nfs/dbraw/zinc/17/74/99/523177499.db2.gz UGEANAKYQPURKA-HXUWFJFHSA-N 1 1 459.612 3.822 50 0 JHAAMO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)N3CCCCC3)C2)cc1OC ZINC000014745139 524042075 /nfs/dbraw/zinc/04/20/75/524042075.db2.gz PSKVWEUHJZZXNN-RTWAWAEBSA-N 1 1 483.584 3.932 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1c(=O)n(-c2ccc(F)cc2)cc2c1CC(C)(C)CC2=O ZINC000065000225 524110707 /nfs/dbraw/zinc/11/07/07/524110707.db2.gz JVWHPESECZHFIS-QGZVFWFLSA-N 1 1 453.558 3.736 50 0 JHAAMO COc1cccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000022698154 524167991 /nfs/dbraw/zinc/16/79/91/524167991.db2.gz MVHICYBZVIDJMX-HHHXNRCGSA-N 1 1 486.572 3.819 50 0 JHAAMO Cc1cccc(N2CC[NH+](CCNC(=O)[C@H]3CCCN(c4nc5cc(Cl)ccc5[nH]4)C3)CC2)c1C ZINC000033071602 524556417 /nfs/dbraw/zinc/55/64/17/524556417.db2.gz MTEKRPVYHIMKQV-NRFANRHFSA-N 1 1 495.071 3.988 50 0 JHAAMO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000016293293 525302292 /nfs/dbraw/zinc/30/22/92/525302292.db2.gz ZNBFPZLQAKANFF-UHFFFAOYSA-N 1 1 479.602 3.519 50 0 JHAAMO COc1cccc(C[N@@H+](C[C@H](O)COCc2ccco2)C[C@H]2CC(c3ccc4c(c3)OCO4)=NO2)c1 ZINC000036147011 525925059 /nfs/dbraw/zinc/92/50/59/525925059.db2.gz RQCSERMGGZPLTK-XUZZJYLKSA-N 1 1 494.544 3.590 50 0 JHAAMO Cc1ccc2c(c1)N(C(=O)Cn1c(=O)c3c(nc1C(C)C)C[N@@H+](Cc1ccccc1)CC3)CCO2 ZINC000035457257 526166940 /nfs/dbraw/zinc/16/69/40/526166940.db2.gz UHBHHTPLVNYRHH-UHFFFAOYSA-N 1 1 472.589 3.659 50 0 JHAAMO Cc1ccc2c(c1)N(C(=O)Cn1c(=O)c3c(nc1C(C)C)C[N@H+](Cc1ccccc1)CC3)CCO2 ZINC000035457257 526166946 /nfs/dbraw/zinc/16/69/46/526166946.db2.gz UHBHHTPLVNYRHH-UHFFFAOYSA-N 1 1 472.589 3.659 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1c(=O)n(-c2ccc(F)cc2)cc2c1CC(C)(C)CC2=O ZINC000065000228 526250470 /nfs/dbraw/zinc/25/04/70/526250470.db2.gz JVWHPESECZHFIS-KRWDZBQOSA-N 1 1 453.558 3.736 50 0 JHAAMO Cc1ccc2nc(N3CCC(C(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)CC3)[nH]c2c1 ZINC000033070835 526251717 /nfs/dbraw/zinc/25/17/17/526251717.db2.gz MATNGLSMIBCBAS-UHFFFAOYSA-N 1 1 478.616 3.555 50 0 JHAAMO O=C(NCCc1nnc2n1CC[N@H+](CC(c1ccccc1)c1ccccc1)CC2)c1ccoc1 ZINC000014978698 526464403 /nfs/dbraw/zinc/46/44/03/526464403.db2.gz DGSMXNOPCITKQJ-UHFFFAOYSA-N 1 1 455.562 3.534 50 0 JHAAMO O=C([C@@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035513187 526470543 /nfs/dbraw/zinc/47/05/43/526470543.db2.gz RXAOGRCFCGJCMF-HSZRJFAPSA-N 1 1 459.569 3.844 50 0 JHAAMO O=C(CN1CC[NH+](CCOc2ccccc2)CC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000022797376 526770621 /nfs/dbraw/zinc/77/06/21/526770621.db2.gz WMRMFBQKCVZING-UHFFFAOYSA-N 1 1 464.635 3.699 50 0 JHAAMO O=C(c1ccco1)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000020388107 526826415 /nfs/dbraw/zinc/82/64/15/526826415.db2.gz SOBUOSUDMMUKLR-UHFFFAOYSA-N 1 1 460.578 3.676 50 0 JHAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O ZINC000012327663 526923550 /nfs/dbraw/zinc/92/35/50/526923550.db2.gz MYNGOHSPFLAYLV-JOCHJYFZSA-N 1 1 476.621 3.594 50 0 JHAAMO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1CC1(N2CCOCC2)CCCCCC1 ZINC000012281476 526990338 /nfs/dbraw/zinc/99/03/38/526990338.db2.gz QAGKRIMOOYBZJC-NRFANRHFSA-N 1 1 492.060 3.965 50 0 JHAAMO Cc1nc2c(c(=O)n1CC(=O)Nc1ccc(C(F)(F)F)cc1)CC[N@H+](Cc1ccccc1)C2 ZINC000035456222 527094857 /nfs/dbraw/zinc/09/48/57/527094857.db2.gz JHCCDDLMZGOKCY-UHFFFAOYSA-N 1 1 456.468 3.768 50 0 JHAAMO Cc1nc2c(c(=O)n1CC(=O)Nc1ccc(C(F)(F)F)cc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000035456222 527094860 /nfs/dbraw/zinc/09/48/60/527094860.db2.gz JHCCDDLMZGOKCY-UHFFFAOYSA-N 1 1 456.468 3.768 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@]12[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000002443785 554211367 /nfs/dbraw/zinc/21/13/67/554211367.db2.gz WHNFAJLKJUWXOF-GEYWLOKFSA-N 1 1 486.753 3.534 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@]12[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000002443785 554211371 /nfs/dbraw/zinc/21/13/71/554211371.db2.gz WHNFAJLKJUWXOF-GEYWLOKFSA-N 1 1 486.753 3.534 50 0 JHAAMO CCOC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4ccc(Cl)cc4)oc3C)C2)CC1 ZINC000006577588 554553224 /nfs/dbraw/zinc/55/32/24/554553224.db2.gz WUABRUKHYQRENK-IBGZPJMESA-N 1 1 474.989 3.816 50 0 JHAAMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000008749942 554652027 /nfs/dbraw/zinc/65/20/27/554652027.db2.gz YONZIEXTSOTSGP-MHZLTWQESA-N 1 1 494.636 3.966 50 0 JHAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc(I)c1O ZINC000008837925 554739131 /nfs/dbraw/zinc/73/91/31/554739131.db2.gz IQHOMKCWHTWDFO-INIZCTEOSA-N 1 1 485.347 3.874 50 0 JHAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc(I)c1O ZINC000008837925 554739132 /nfs/dbraw/zinc/73/91/32/554739132.db2.gz IQHOMKCWHTWDFO-INIZCTEOSA-N 1 1 485.347 3.874 50 0 JHAAMO CC(C)[N@@H+](CCCNC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1)Cc1ccccc1 ZINC000008912616 554802924 /nfs/dbraw/zinc/80/29/24/554802924.db2.gz MDUGGTLBIIXPCW-UHFFFAOYSA-N 1 1 466.655 3.962 50 0 JHAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(O)c(I)c2)N3)C1 ZINC000008927633 554825010 /nfs/dbraw/zinc/82/50/10/554825010.db2.gz RESSDAKJRJIRIP-HNNXBMFYSA-N 1 1 455.321 3.865 50 0 JHAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1I ZINC000009065415 554885280 /nfs/dbraw/zinc/88/52/80/554885280.db2.gz RIQSXBYCXPACGX-OAHLLOKOSA-N 1 1 455.321 3.778 50 0 JHAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1I ZINC000009065415 554885282 /nfs/dbraw/zinc/88/52/82/554885282.db2.gz RIQSXBYCXPACGX-OAHLLOKOSA-N 1 1 455.321 3.778 50 0 JHAAMO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)Cc1ccccc1 ZINC000009153011 554941761 /nfs/dbraw/zinc/94/17/61/554941761.db2.gz YFHWQEMEQTYTTC-HSZRJFAPSA-N 1 1 489.668 3.798 50 0 JHAAMO CC[C@@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)c(Cl)c1 ZINC000009243691 555018754 /nfs/dbraw/zinc/01/87/54/555018754.db2.gz AJYNWRCRXKVNOE-OAHLLOKOSA-N 1 1 464.397 3.553 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)c(Cl)c1 ZINC000009243691 555018755 /nfs/dbraw/zinc/01/87/55/555018755.db2.gz AJYNWRCRXKVNOE-OAHLLOKOSA-N 1 1 464.397 3.553 50 0 JHAAMO COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)NCC[N@@H+](C)Cc3ccccc3)c3ccccc3C(=O)N1CC2 ZINC000009559278 555353833 /nfs/dbraw/zinc/35/38/33/555353833.db2.gz FTIDJGQAIDBFHZ-VSGBNLITSA-N 1 1 499.611 3.789 50 0 JHAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000009590854 555404088 /nfs/dbraw/zinc/40/40/88/555404088.db2.gz LLVXCUCUSSUXJG-SFHVURJKSA-N 1 1 473.455 3.833 50 0 JHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000009590854 555404090 /nfs/dbraw/zinc/40/40/90/555404090.db2.gz LLVXCUCUSSUXJG-SFHVURJKSA-N 1 1 473.455 3.833 50 0 JHAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)CCc3nnc4ccc(NCc5ccccc5)nn43)C2)cc1 ZINC000009743350 555474809 /nfs/dbraw/zinc/47/48/09/555474809.db2.gz ZAMNNRLUCMMDNM-DEOSSOPVSA-N 1 1 483.620 3.616 50 0 JHAAMO Cc1cc(=O)c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)nn1-c1ccccc1C(F)(F)F ZINC000009818825 555522650 /nfs/dbraw/zinc/52/26/50/555522650.db2.gz KKBBCYVNPFSIDQ-GOSISDBHSA-N 1 1 460.456 3.720 50 0 JHAAMO Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000019938162 555555836 /nfs/dbraw/zinc/55/58/36/555555836.db2.gz KQDOMPFXEKRHNU-UHFFFAOYSA-N 1 1 493.629 3.827 50 0 JHAAMO COc1cccc(NC(=O)COc2ccc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)cc2)c1 ZINC000009982538 555582183 /nfs/dbraw/zinc/58/21/83/555582183.db2.gz GVHGCQNILHIYNU-UHFFFAOYSA-N 1 1 461.562 3.965 50 0 JHAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN3CCc4cc(OC)c(OC)cc4CC3=O)C2)cc1OC ZINC000013829377 555630025 /nfs/dbraw/zinc/63/00/25/555630025.db2.gz OBUFMJDDZTXJPY-NRFANRHFSA-N 1 1 482.621 3.603 50 0 in-vitro JHAAMO CC(C)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000020116127 555653628 /nfs/dbraw/zinc/65/36/28/555653628.db2.gz ZULRTHAIHZDBNG-BSPLKQFDSA-N 1 1 481.681 3.747 50 0 JHAAMO Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)NCCC[NH+]3CCC(C)CC3)cc12 ZINC000020153780 555673406 /nfs/dbraw/zinc/67/34/06/555673406.db2.gz WRMNFXXRDYWUQN-UHFFFAOYSA-N 1 1 454.688 3.703 50 0 JHAAMO CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000014095887 555688589 /nfs/dbraw/zinc/68/85/89/555688589.db2.gz BOCNGYJWEADISX-OAQYLSRUSA-N 1 1 476.668 3.764 50 0 JHAAMO CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000014095887 555688593 /nfs/dbraw/zinc/68/85/93/555688593.db2.gz BOCNGYJWEADISX-OAQYLSRUSA-N 1 1 476.668 3.764 50 0 JHAAMO Cc1cc(N2CCOCC2)nc2ccc(NC(=S)NCC[N@H+]3CCc4ccccc4C3)cc12 ZINC000020183227 555690200 /nfs/dbraw/zinc/69/02/00/555690200.db2.gz ODLBTMVNHQOFKJ-UHFFFAOYSA-N 1 1 461.635 3.725 50 0 JHAAMO O=C(CSc1ncccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc2c(c1)OCO2 ZINC000014238096 555740123 /nfs/dbraw/zinc/74/01/23/555740123.db2.gz UULPYUCOGNUHFM-IBGZPJMESA-N 1 1 494.573 3.701 50 0 JHAAMO Cn1c(=O)cc(SCC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)c2cc(Cl)ccc21 ZINC000020280298 555751202 /nfs/dbraw/zinc/75/12/02/555751202.db2.gz HYJNLUDMWCEPFL-UHFFFAOYSA-N 1 1 499.080 3.608 50 0 JHAAMO Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)NCCC[N@@H+](Cc1ccccc1)C(C)C)nc2C ZINC000020563128 555814873 /nfs/dbraw/zinc/81/48/73/555814873.db2.gz CQOBXQKOKFDKQG-UHFFFAOYSA-N 1 1 486.620 3.616 50 0 JHAAMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(NCc3ccc(F)cc3)cc(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000014541253 555831750 /nfs/dbraw/zinc/83/17/50/555831750.db2.gz LTVVHDIYUZRSON-IBGZPJMESA-N 1 1 490.645 3.586 50 0 JHAAMO Cc1cc2oc(=O)c(CC(=O)NCCC[NH+]3CCOCC3)c(C)c2c2occ(C(C)(C)C)c21 ZINC000020591767 555838323 /nfs/dbraw/zinc/83/83/23/555838323.db2.gz ZUFAOSXRFLNINM-UHFFFAOYSA-N 1 1 454.567 3.835 50 0 JHAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N1CCOCC1)NCc1ccccc1Cl ZINC000020598933 555840502 /nfs/dbraw/zinc/84/05/02/555840502.db2.gz UPZUMPYQGKCBKX-UKILVPOCSA-N 1 1 456.030 3.959 50 0 JHAAMO COc1ccccc1C[NH+]1CCN(c2cccc3c2C(=O)N(CCc2ccccc2F)C3=O)CC1 ZINC000014992605 555842307 /nfs/dbraw/zinc/84/23/07/555842307.db2.gz FHAVGSZRZGCWOP-UHFFFAOYSA-N 1 1 473.548 3.995 50 0 JHAAMO O=C(Cc1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020644765 555846487 /nfs/dbraw/zinc/84/64/87/555846487.db2.gz BPXXTRLDIWAPAV-UHFFFAOYSA-N 1 1 470.598 3.935 50 0 JHAAMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000011910583 555858108 /nfs/dbraw/zinc/85/81/08/555858108.db2.gz PAOSTQDMHXZCEN-HXUWFJFHSA-N 1 1 456.525 3.781 50 0 JHAAMO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000011965296 555871630 /nfs/dbraw/zinc/87/16/30/555871630.db2.gz WSMDUXRQRLJYDJ-SFHVURJKSA-N 1 1 453.546 3.992 50 0 JHAAMO C[C@H](NC(=O)C1CC[NH+](C)CC1)c1nnc2n1CCN(Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000011974099 555875193 /nfs/dbraw/zinc/87/51/93/555875193.db2.gz YKHWLDHRIYPFQA-SFHVURJKSA-N 1 1 497.043 3.769 50 0 JHAAMO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000015306067 555895087 /nfs/dbraw/zinc/89/50/87/555895087.db2.gz XIOOLLXIVOOREA-FQEVSTJZSA-N 1 1 463.559 3.985 50 0 JHAAMO C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc3ncccc3c1)CC2 ZINC000012149060 555921092 /nfs/dbraw/zinc/92/10/92/555921092.db2.gz WSEHDGGDAIRQAN-HXUWFJFHSA-N 1 1 454.578 3.695 50 0 JHAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CCC5)n2)C1 ZINC000022325326 555921929 /nfs/dbraw/zinc/92/19/29/555921929.db2.gz IVPYLDMKTCBQGY-OKILXGFUSA-N 1 1 471.652 3.979 50 0 JHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CCC5)n2)C1 ZINC000022325326 555921932 /nfs/dbraw/zinc/92/19/32/555921932.db2.gz IVPYLDMKTCBQGY-OKILXGFUSA-N 1 1 471.652 3.979 50 0 JHAAMO COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](CC2CCCCC2)CC3)o1 ZINC000012150622 555922764 /nfs/dbraw/zinc/92/27/64/555922764.db2.gz FZCHSMGGGUDCMT-OAQYLSRUSA-N 1 1 457.619 3.973 50 0 JHAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4cc(F)ccc4F)CC3)n2)cc1OC ZINC000015726431 555964732 /nfs/dbraw/zinc/96/47/32/555964732.db2.gz SQVODRGZTLOENS-UHFFFAOYSA-N 1 1 458.465 3.883 50 0 JHAAMO CC[C@@H](C)[N@@H+](CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)Cc1cccs1 ZINC000015731056 555973510 /nfs/dbraw/zinc/97/35/10/555973510.db2.gz YYNHZKMBOYVZMM-OAHLLOKOSA-N 1 1 453.655 3.761 50 0 JHAAMO C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022920529 555974759 /nfs/dbraw/zinc/97/47/59/555974759.db2.gz LZRYDNGTJRIJTK-IBGZPJMESA-N 1 1 476.543 3.687 50 0 JHAAMO Cc1ccc(C)c(NC(=O)CN(C)C(=O)CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000022934216 555987100 /nfs/dbraw/zinc/98/71/00/555987100.db2.gz KISYVGZYWPYOQU-UHFFFAOYSA-N 1 1 476.543 3.537 50 0 JHAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000022936555 555989464 /nfs/dbraw/zinc/98/94/64/555989464.db2.gz LGILXQFMRDDXSV-UHFFFAOYSA-N 1 1 486.595 3.740 50 0 JHAAMO CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1ccc(OC)c(OC)c1 ZINC000022972304 555994457 /nfs/dbraw/zinc/99/44/57/555994457.db2.gz CHOJDYQUMUTJMC-FQEVSTJZSA-N 1 1 465.472 3.832 50 0 JHAAMO CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1ccc(OC)c(OC)c1 ZINC000022972304 555994459 /nfs/dbraw/zinc/99/44/59/555994459.db2.gz CHOJDYQUMUTJMC-FQEVSTJZSA-N 1 1 465.472 3.832 50 0 JHAAMO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000012551627 556033552 /nfs/dbraw/zinc/03/35/52/556033552.db2.gz YHYCPVZXWAHTKV-AREMUKBSSA-N 1 1 470.573 3.723 50 0 JHAAMO O[C@H](COC[C@@H]1COc2ccccc2O1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023473272 556074173 /nfs/dbraw/zinc/07/41/73/556074173.db2.gz KJMNBTFDTVAIRH-IZZNHLLZSA-N 1 1 474.601 3.611 50 0 JHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C[S@@](=O)Cc1nc(-c2ccc(OC)c(OC)c2)oc1C ZINC000015944317 556080595 /nfs/dbraw/zinc/08/05/95/556080595.db2.gz VBJFEHIABHLBAK-NMWVFERUSA-N 1 1 491.654 3.687 50 0 JHAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000012585990 556083282 /nfs/dbraw/zinc/08/32/82/556083282.db2.gz VMMINZFOCZKKRF-OAQYLSRUSA-N 1 1 488.009 3.978 50 0 JHAAMO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023804739 556089003 /nfs/dbraw/zinc/08/90/03/556089003.db2.gz WFBTZTBDADRPSD-KRWDZBQOSA-N 1 1 463.409 3.597 50 0 JHAAMO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1 ZINC000023956308 556104864 /nfs/dbraw/zinc/10/48/64/556104864.db2.gz ABROOOZQBGVEKG-CUNXSJBXSA-N 1 1 477.557 3.878 50 0 JHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016012002 556110905 /nfs/dbraw/zinc/11/09/05/556110905.db2.gz NZUUMSPNDGSIAF-DDOIHHOZSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016012002 556110909 /nfs/dbraw/zinc/11/09/09/556110909.db2.gz NZUUMSPNDGSIAF-DDOIHHOZSA-N 1 1 456.329 3.733 50 0 JHAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NC2CCCCC2)cc(OC)c1OC ZINC000016032813 556116959 /nfs/dbraw/zinc/11/69/59/556116959.db2.gz UCELZEBVLHNMIP-OCDQVXHZSA-N 1 1 460.615 3.829 50 0 biogenic JHAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NC2CCCCC2)cc(OC)c1OC ZINC000016032813 556116960 /nfs/dbraw/zinc/11/69/60/556116960.db2.gz UCELZEBVLHNMIP-OCDQVXHZSA-N 1 1 460.615 3.829 50 0 biogenic JHAAMO CC(C)C[N@H+]1CCO[C@@H](CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCC4)C1 ZINC000024294166 556128547 /nfs/dbraw/zinc/12/85/47/556128547.db2.gz KWUIHDJTUUPURB-DLBZAZTESA-N 1 1 463.669 3.575 50 0 JHAAMO CC[N@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)Cc1ccccc1 ZINC000012938234 556152381 /nfs/dbraw/zinc/15/23/81/556152381.db2.gz TYVASEVLZKCKIJ-UHFFFAOYSA-N 1 1 450.004 3.975 50 0 JHAAMO CC[N@@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)Cc1ccccc1 ZINC000012938234 556152385 /nfs/dbraw/zinc/15/23/85/556152385.db2.gz TYVASEVLZKCKIJ-UHFFFAOYSA-N 1 1 450.004 3.975 50 0 JHAAMO COC(=O)c1cc(NC(=O)C[N@@H+](Cc2ccc(OC)cc2)[C@@H](C)Cc2cccs2)cn1C ZINC000024992548 556171293 /nfs/dbraw/zinc/17/12/93/556171293.db2.gz NRLKVJGLDBXQRA-KRWDZBQOSA-N 1 1 455.580 3.954 50 0 JHAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 ZINC000024992975 556171521 /nfs/dbraw/zinc/17/15/21/556171521.db2.gz DHQHXZXGTWLYAN-UHFFFAOYSA-N 1 1 473.552 3.738 50 0 JHAAMO O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000025052495 556175121 /nfs/dbraw/zinc/17/51/21/556175121.db2.gz JNJDQGFTIYNYPM-UIOOFZCWSA-N 1 1 457.574 3.915 50 0 JHAAMO Cc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21c2ccccc2-n2c1nc1ccccc1c2=O ZINC000025107422 556179729 /nfs/dbraw/zinc/17/97/29/556179729.db2.gz DRWOXYHLJRPGPQ-YDXRHMNESA-N 1 1 488.547 3.535 50 0 JHAAMO Cc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21c2ccccc2-n2c1nc1ccccc1c2=O ZINC000025107422 556179731 /nfs/dbraw/zinc/17/97/31/556179731.db2.gz DRWOXYHLJRPGPQ-YDXRHMNESA-N 1 1 488.547 3.535 50 0 JHAAMO Cc1cc(O)c([C@@H](c2ccccc2)[NH+]2CCN(c3ccccn3)CC2)c(=O)n1Cc1ccco1 ZINC000016993929 556198361 /nfs/dbraw/zinc/19/83/61/556198361.db2.gz MLHHOGBPBVJLPN-AREMUKBSSA-N 1 1 456.546 3.810 50 0 JHAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)[nH+]1 ZINC000016994433 556198649 /nfs/dbraw/zinc/19/86/49/556198649.db2.gz BPDFSSREWAUSKN-UHFFFAOYSA-N 1 1 451.596 3.965 50 0 JHAAMO Cc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000017057474 556214434 /nfs/dbraw/zinc/21/44/34/556214434.db2.gz ZLSJYJQIKNDMBX-CLJLJLNGSA-N 1 1 452.558 3.857 50 0 JHAAMO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[NH2+][C@@H](C)c1ccccc1Cl ZINC000013040149 556242604 /nfs/dbraw/zinc/24/26/04/556242604.db2.gz SSCGTDYDTOGKDU-ZDUSSCGKSA-N 1 1 451.976 3.878 50 0 JHAAMO CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)C2=O)cc1 ZINC000018220202 556312917 /nfs/dbraw/zinc/31/29/17/556312917.db2.gz JYDWJAXWSGOTRZ-HSZRJFAPSA-N 1 1 492.963 3.519 50 0 JHAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)ccc1O ZINC000019228663 556335886 /nfs/dbraw/zinc/33/58/86/556335886.db2.gz TVDCOWKPGPZJHR-LJQANCHMSA-N 1 1 467.570 3.551 50 0 JHAAMO Cc1nn(Cc2ccccc2Cl)c(C)c1[C@@H]1NC(=[NH2+])Nc2nc3cc4c(cc3n21)OCCCO4 ZINC000019354099 556344080 /nfs/dbraw/zinc/34/40/80/556344080.db2.gz IEMCVJRLKHTGEZ-JOCHJYFZSA-N 1 1 477.956 3.809 50 0 JHAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3cccc(NC(=O)c4cccnc4)c3)cc2)C[C@H](C)O1 ZINC000029712438 556355553 /nfs/dbraw/zinc/35/55/53/556355553.db2.gz XZKXWALYHOVBBD-BGYRXZFFSA-N 1 1 458.562 3.873 50 0 JHAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3cccc(NC(=O)c4cccnc4)c3)cc2)C[C@H](C)O1 ZINC000029712438 556355556 /nfs/dbraw/zinc/35/55/56/556355556.db2.gz XZKXWALYHOVBBD-BGYRXZFFSA-N 1 1 458.562 3.873 50 0 JHAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000019773757 556369223 /nfs/dbraw/zinc/36/92/23/556369223.db2.gz JWQUZKLOUJQVPN-UHFFFAOYSA-N 1 1 467.879 3.521 50 0 JHAAMO CCN(CC)c1ccc2[nH]c(C)c(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2c1 ZINC000019793496 556373038 /nfs/dbraw/zinc/37/30/38/556373038.db2.gz OZEJOWKGAJTHMS-UHFFFAOYSA-N 1 1 462.594 3.729 50 0 JHAAMO O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019811949 556382559 /nfs/dbraw/zinc/38/25/59/556382559.db2.gz FDKZEBLUOQSOSB-UHFFFAOYSA-N 1 1 484.021 3.880 50 0 JHAAMO COc1cccc(C[NH+]2CCN(c3cccc4c3C(=O)N([C@H](C)c3nccs3)C4=O)CC2)c1 ZINC000055225549 569591179 /nfs/dbraw/zinc/59/11/79/569591179.db2.gz JWZOIWBEQKDDPD-QGZVFWFLSA-N 1 1 462.575 3.831 50 0 JHAAMO COc1ccccc1C[NH+]1CCN(c2cccc3c2C(=O)N([C@H](C)c2nccs2)C3=O)CC1 ZINC000055342786 569591665 /nfs/dbraw/zinc/59/16/65/569591665.db2.gz FVUXIRPLABNOHV-QGZVFWFLSA-N 1 1 462.575 3.831 50 0 JHAAMO O=S1(=O)N=C(Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)c2ccccc21 ZINC000057251161 569594886 /nfs/dbraw/zinc/59/48/86/569594886.db2.gz GHGNKNDHVQBJBF-UHFFFAOYSA-N 1 1 450.539 3.709 50 0 JHAAMO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@H+](CC)Cc1ccc(OCC)c(OC)c1 ZINC000008725580 569600320 /nfs/dbraw/zinc/60/03/20/569600320.db2.gz JGKPHJJKGDKJHZ-UHFFFAOYSA-N 1 1 474.627 3.913 50 0 JHAAMO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@@H+](CC)Cc1ccc(OCC)c(OC)c1 ZINC000008725580 569600321 /nfs/dbraw/zinc/60/03/21/569600321.db2.gz JGKPHJJKGDKJHZ-UHFFFAOYSA-N 1 1 474.627 3.913 50 0 JHAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCN(c2nc3ncccc3n3cccc23)C1 ZINC000033019104 569618494 /nfs/dbraw/zinc/61/84/94/569618494.db2.gz AYPAADDGJYDYMO-QHCPKHFHSA-N 1 1 468.605 3.664 50 0 JHAAMO CCn1c2c(C(=O)Nc3cc(F)ccc3F)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835868 569636469 /nfs/dbraw/zinc/63/64/69/569636469.db2.gz KOIAINMAZIGAJY-UHFFFAOYSA-N 1 1 463.488 3.605 50 0 JHAAMO CCn1c2c(C(=O)NCCC3=CCCCC3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835952 569636523 /nfs/dbraw/zinc/63/65/23/569636523.db2.gz ORSJDVKAEJUGPH-UHFFFAOYSA-N 1 1 459.594 3.695 50 0 JHAAMO CCn1c2c(C(=O)Nc3ccc(F)cc3F)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835904 569636559 /nfs/dbraw/zinc/63/65/59/569636559.db2.gz BQXRFYUTALGAOJ-UHFFFAOYSA-N 1 1 463.488 3.605 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1 ZINC000064873459 569640999 /nfs/dbraw/zinc/64/09/99/569640999.db2.gz AWWHYLPYLCFJHW-FQEVSTJZSA-N 1 1 478.568 3.945 50 0 JHAAMO COc1ccc(CC(=O)N2C[C@H](C[NH+]3CCOCC3)[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000034697942 569647671 /nfs/dbraw/zinc/64/76/71/569647671.db2.gz NNRBZFQAOWCSQL-REWPJTCUSA-N 1 1 462.512 3.831 50 0 JHAAMO Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000034736904 569654352 /nfs/dbraw/zinc/65/43/52/569654352.db2.gz UWFRZUWQZYUDEX-ZHSNQQFMSA-N 1 1 456.329 3.733 50 0 JHAAMO COc1cccc(C(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)c(C)c4)c3C2)c1 ZINC000034760427 569657671 /nfs/dbraw/zinc/65/76/71/569657671.db2.gz NPEQAPSNHWUZSX-UHFFFAOYSA-N 1 1 491.567 3.675 50 0 JHAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000034788776 569660106 /nfs/dbraw/zinc/66/01/06/569660106.db2.gz ZHRUBMDVDMQHTC-VWLOTQADSA-N 1 1 466.651 3.882 50 0 JHAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000034788776 569660107 /nfs/dbraw/zinc/66/01/07/569660107.db2.gz ZHRUBMDVDMQHTC-VWLOTQADSA-N 1 1 466.651 3.882 50 0 JHAAMO CC(C)(C)C(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000034830446 569663840 /nfs/dbraw/zinc/66/38/40/569663840.db2.gz PVMHVMUUFNLLIC-QHCPKHFHSA-N 1 1 457.615 3.942 50 0 JHAAMO CC[NH+](CC)[C@@H](CNC(=O)CS(=O)(=O)Cc1cccc(Br)c1)c1ccccc1 ZINC000065564980 569676015 /nfs/dbraw/zinc/67/60/15/569676015.db2.gz JMDRJBUHOFURMG-FQEVSTJZSA-N 1 1 467.429 3.563 50 0 JHAAMO O=C(C[N@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000035404593 569691525 /nfs/dbraw/zinc/69/15/25/569691525.db2.gz IWBXPWSORIKIEU-UHFFFAOYSA-N 1 1 463.532 3.588 50 0 JHAAMO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000035404593 569691526 /nfs/dbraw/zinc/69/15/26/569691526.db2.gz IWBXPWSORIKIEU-UHFFFAOYSA-N 1 1 463.532 3.588 50 0 JHAAMO COc1ccc(COC[C@@H](O)C[NH+]2CCN([C@H](C)c3nc4ccccc4s3)CC2)cc1OC ZINC000084667952 569709520 /nfs/dbraw/zinc/70/95/20/569709520.db2.gz VFVVBZGRMUSNBO-QUCCMNQESA-N 1 1 471.623 3.570 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(Cc3ccccc3)n2CCOC)CC1 ZINC000085409367 569710426 /nfs/dbraw/zinc/71/04/26/569710426.db2.gz IMPXXPWKODHSBM-UHFFFAOYSA-N 1 1 479.650 3.585 50 0 JHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035851978 569716733 /nfs/dbraw/zinc/71/67/33/569716733.db2.gz HCNPFFXLNXGECI-PRHHBONVSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035851978 569716734 /nfs/dbraw/zinc/71/67/34/569716734.db2.gz HCNPFFXLNXGECI-PRHHBONVSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035855603 569716893 /nfs/dbraw/zinc/71/68/93/569716893.db2.gz GEEXJIYBFWBDSH-ZHSNQQFMSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035855603 569716894 /nfs/dbraw/zinc/71/68/94/569716894.db2.gz GEEXJIYBFWBDSH-ZHSNQQFMSA-N 1 1 456.329 3.733 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(COC)n2-c2ccccc2F)CC1 ZINC000095544457 569726866 /nfs/dbraw/zinc/72/68/66/569726866.db2.gz BEVKAGGDWXVNMA-UHFFFAOYSA-N 1 1 469.586 3.623 50 0 JHAAMO COc1cc2c(cc1OC)C[N@@H+](CCC(=O)Nc1ccc3c(c1)nc1n3CCN(CC(C)C)C1)CC2 ZINC000096223142 569739783 /nfs/dbraw/zinc/73/97/83/569739783.db2.gz ROTBWARAONTISA-UHFFFAOYSA-N 1 1 491.636 3.912 50 0 JHAAMO CCCCOC[C@@H](O)C[NH+]1CCN(c2nc(C)nc(CC)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340773 569764030 /nfs/dbraw/zinc/76/40/30/569764030.db2.gz VKFCXVIBJRJLGC-QFIPXVFZSA-N 1 1 461.050 3.891 50 0 JHAAMO CCOc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000036342558 569765991 /nfs/dbraw/zinc/76/59/91/569765991.db2.gz SWJIGHOIZREQPN-QHCPKHFHSA-N 1 1 468.985 3.614 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccccc2C)C1 ZINC000036344936 569767449 /nfs/dbraw/zinc/76/74/49/569767449.db2.gz RGLLQHAESOKANV-CPJSRVTESA-N 1 1 493.604 3.965 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccccc2C)C1 ZINC000036344936 569767450 /nfs/dbraw/zinc/76/74/50/569767450.db2.gz RGLLQHAESOKANV-CPJSRVTESA-N 1 1 493.604 3.965 50 0 JHAAMO Cc1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc(S(=O)(=O)N(C)C)c1C ZINC000040089254 569815925 /nfs/dbraw/zinc/81/59/25/569815925.db2.gz BLVIHZXZCCITRC-NRFANRHFSA-N 1 1 464.031 3.774 50 0 JHAAMO Cn1nc(CCC[N@@H+](C)CC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1-c1ccc(F)cc1 ZINC000040155676 569820836 /nfs/dbraw/zinc/82/08/36/569820836.db2.gz VBJCHUFCOXQFBP-UHFFFAOYSA-N 1 1 463.557 3.622 50 0 JHAAMO CN(Cc1ccccc1OC(F)(F)F)CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000048313303 569845683 /nfs/dbraw/zinc/84/56/83/569845683.db2.gz JPQNSKYXVCVIKD-QHCPKHFHSA-N 1 1 476.499 3.561 50 0 JHAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104984572 569848380 /nfs/dbraw/zinc/84/83/80/569848380.db2.gz KEEMXKDPOHMTFI-VQTJNVASSA-N 1 1 460.958 3.850 50 0 JHAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104984572 569848382 /nfs/dbraw/zinc/84/83/82/569848382.db2.gz KEEMXKDPOHMTFI-VQTJNVASSA-N 1 1 460.958 3.850 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2cccn2C)C1 ZINC000105008539 569850265 /nfs/dbraw/zinc/85/02/65/569850265.db2.gz GDMVVNFTBZQECJ-HTAPYJJXSA-N 1 1 456.974 3.631 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2cccn2C)C1 ZINC000105008539 569850266 /nfs/dbraw/zinc/85/02/66/569850266.db2.gz GDMVVNFTBZQECJ-HTAPYJJXSA-N 1 1 456.974 3.631 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3F)C[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000105008898 569850339 /nfs/dbraw/zinc/85/03/39/569850339.db2.gz PZWCFFWQOUZAAI-XMSQKQJNSA-N 1 1 481.524 3.507 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3F)C[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000105008898 569850341 /nfs/dbraw/zinc/85/03/41/569850341.db2.gz PZWCFFWQOUZAAI-XMSQKQJNSA-N 1 1 481.524 3.507 50 0 JHAAMO CC(C)[C@H](C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000107349857 569856398 /nfs/dbraw/zinc/85/63/98/569856398.db2.gz WICHQHIYRQSFCR-DBXWQHBBSA-N 1 1 451.011 3.540 50 0 JHAAMO COc1cccc(C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@@H]2CC(c3ccc4c(c3)OCO4)=NO2)c1 ZINC000169677126 569868436 /nfs/dbraw/zinc/86/84/36/569868436.db2.gz RQCSERMGGZPLTK-QPPBQGQZSA-N 1 1 494.544 3.590 50 0 JHAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccco3)[C@@H](C)C2)cc1 ZINC000169680204 569870387 /nfs/dbraw/zinc/87/03/87/569870387.db2.gz UDPIMYXLRZYHFQ-UQBPGWFLSA-N 1 1 463.603 3.970 50 0 JHAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccco3)[C@@H](C)C2)cc1 ZINC000169680204 569870388 /nfs/dbraw/zinc/87/03/88/569870388.db2.gz UDPIMYXLRZYHFQ-UQBPGWFLSA-N 1 1 463.603 3.970 50 0 JHAAMO COc1ccccc1CCNC(=O)[C@@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169681634 569870825 /nfs/dbraw/zinc/87/08/25/569870825.db2.gz HAVGVGQSESOEKU-VPUSJEBWSA-N 1 1 455.602 3.917 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229893998 570041780 /nfs/dbraw/zinc/04/17/80/570041780.db2.gz KZUDYHWLXJBKJQ-KCXPTXFHSA-N 1 1 460.292 3.564 50 0 JHAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229893998 570041781 /nfs/dbraw/zinc/04/17/81/570041781.db2.gz KZUDYHWLXJBKJQ-KCXPTXFHSA-N 1 1 460.292 3.564 50 0 JHAAMO Cc1ccnc(C)c1C(=O)N1CCC([N@@H+]2CCN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C)CC1 ZINC000244975230 570054407 /nfs/dbraw/zinc/05/44/07/570054407.db2.gz IHIYSKBNAJPIQI-KRWDZBQOSA-N 1 1 461.532 3.928 50 0 JHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245246068 570059292 /nfs/dbraw/zinc/05/92/92/570059292.db2.gz HCNPFFXLNXGECI-DWKCODDLSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245246068 570059293 /nfs/dbraw/zinc/05/92/93/570059293.db2.gz HCNPFFXLNXGECI-DWKCODDLSA-N 1 1 456.329 3.733 50 0 JHAAMO O=C([C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12)N1CCOCC1 ZINC000245328387 570065669 /nfs/dbraw/zinc/06/56/69/570065669.db2.gz ODVJQTXJJXDETI-FYYLOGMGSA-N 1 1 477.502 3.566 50 0 JHAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)C1CCCC1 ZINC000245328818 570065877 /nfs/dbraw/zinc/06/58/77/570065877.db2.gz PXAQKJBWOMACTK-KBMIEXCESA-N 1 1 451.636 3.945 50 0 JHAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)C1CCCC1 ZINC000245328818 570065879 /nfs/dbraw/zinc/06/58/79/570065879.db2.gz PXAQKJBWOMACTK-KBMIEXCESA-N 1 1 451.636 3.945 50 0 JHAAMO CCC[C@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F ZINC000245330120 570066596 /nfs/dbraw/zinc/06/65/96/570066596.db2.gz XDZKSLVFGKUZPL-SIKLNZKXSA-N 1 1 478.630 3.892 50 0 JHAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000247778287 570069507 /nfs/dbraw/zinc/06/95/07/570069507.db2.gz YWZHPRQSLIDCNG-NGSHPTGOSA-N 1 1 479.492 3.569 50 0 JHAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000247778287 570069509 /nfs/dbraw/zinc/06/95/09/570069509.db2.gz YWZHPRQSLIDCNG-NGSHPTGOSA-N 1 1 479.492 3.569 50 0 JHAAMO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)cc1 ZINC000247815661 570069711 /nfs/dbraw/zinc/06/97/11/570069711.db2.gz FXIQCOHRDJGWKT-CLOONOSVSA-N 1 1 483.586 3.939 50 0 JHAAMO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)cc1 ZINC000247815661 570069713 /nfs/dbraw/zinc/06/97/13/570069713.db2.gz FXIQCOHRDJGWKT-CLOONOSVSA-N 1 1 483.586 3.939 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000247934201 570071405 /nfs/dbraw/zinc/07/14/05/570071405.db2.gz RQKPMLMXMQTLBT-YDSTWLSQSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000247934201 570071406 /nfs/dbraw/zinc/07/14/06/570071406.db2.gz RQKPMLMXMQTLBT-YDSTWLSQSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000252517994 570082984 /nfs/dbraw/zinc/08/29/84/570082984.db2.gz WTKCPNVPSAMAJS-KEXUJGGDSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@@H+]4[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000253388510 570095499 /nfs/dbraw/zinc/09/54/99/570095499.db2.gz PJGIDCLEWIMOQE-INVAMZEASA-N 1 1 488.547 3.535 50 0 JHAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@H+]4[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000253388510 570095500 /nfs/dbraw/zinc/09/55/00/570095500.db2.gz PJGIDCLEWIMOQE-INVAMZEASA-N 1 1 488.547 3.535 50 0 JHAAMO Cc1ccc(C(=O)NC[C@@H](C)Oc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)s1 ZINC000299778779 570176362 /nfs/dbraw/zinc/17/63/62/570176362.db2.gz NMXAEBAZJXXARX-HXUWFJFHSA-N 1 1 464.635 3.967 50 0 JHAAMO CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000004762585 194396284 /nfs/dbraw/zinc/39/62/84/194396284.db2.gz WLNCBVQNMILBKN-BBHUYCHWSA-N 1 1 492.705 3.518 50 0 JHAAMO COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000009268885 194650171 /nfs/dbraw/zinc/65/01/71/194650171.db2.gz HXAGVQSQYIVASC-HXUWFJFHSA-N 1 1 455.580 3.767 50 0 JHAAMO CC(=O)Nc1nnc(SCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000012630075 195062360 /nfs/dbraw/zinc/06/23/60/195062360.db2.gz VSADITMJGKPUCZ-UHFFFAOYSA-N 1 1 467.620 3.522 50 0 JHAAMO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000012691343 195088512 /nfs/dbraw/zinc/08/85/12/195088512.db2.gz 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JHAAMO COC(=O)c1c(OC[C@H]2CCCCO2)cc(=O)n2c1CC[N@@H+](Cc1ccccc1-c1ccco1)CC2 ZINC000020907344 195245381 /nfs/dbraw/zinc/24/53/81/195245381.db2.gz ROSDMVNBQYUMHR-OAQYLSRUSA-N 1 1 492.572 3.901 50 0 JHAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2C1 ZINC000021295382 195293269 /nfs/dbraw/zinc/29/32/69/195293269.db2.gz PHOQMDBHDMMILQ-UHFFFAOYSA-N 1 1 482.631 3.915 50 0 JHAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2C1 ZINC000021295382 195293271 /nfs/dbraw/zinc/29/32/71/195293271.db2.gz PHOQMDBHDMMILQ-UHFFFAOYSA-N 1 1 482.631 3.915 50 0 JHAAMO O=C1c2ccccc2C(=O)N1CC[N@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000021392869 195300785 /nfs/dbraw/zinc/30/07/85/195300785.db2.gz WQYQNXDDBXIJJK-UHFFFAOYSA-N 1 1 452.864 3.562 50 0 JHAAMO O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000021392869 195300787 /nfs/dbraw/zinc/30/07/87/195300787.db2.gz WQYQNXDDBXIJJK-UHFFFAOYSA-N 1 1 452.864 3.562 50 0 JHAAMO C[N@@H+](C[C@@H]1CCCO1)C1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1 ZINC000021887447 195325266 /nfs/dbraw/zinc/32/52/66/195325266.db2.gz PZVUECWUFOOQPC-AWEZNQCLSA-N 1 1 479.546 3.686 50 0 JHAAMO CN(C[C@H]1CCC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccccc1 ZINC000058151871 195367158 /nfs/dbraw/zinc/36/71/58/195367158.db2.gz UWGMUHJOKKMLKP-WIYYLYMNSA-N 1 1 460.500 3.894 50 0 JHAAMO CN(C[C@H]1CCC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccccc1 ZINC000058151871 195367159 /nfs/dbraw/zinc/36/71/59/195367159.db2.gz UWGMUHJOKKMLKP-WIYYLYMNSA-N 1 1 460.500 3.894 50 0 JHAAMO CCOc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCCC2)cc1S(=O)(=O)N(CC)CC ZINC000058330356 195377840 /nfs/dbraw/zinc/37/78/40/195377840.db2.gz QNHSRTOMEXAMJF-HSZRJFAPSA-N 1 1 459.612 3.891 50 0 JHAAMO COc1ccc(COC[C@@H](O)C[NH+]2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1OC ZINC000096444312 130080834 /nfs/dbraw/zinc/08/08/34/130080834.db2.gz VFVVBZGRMUSNBO-ICSRJNTNSA-N 1 1 471.623 3.570 50 0 JHAAMO CC(C)OC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036309073 519773705 /nfs/dbraw/zinc/77/37/05/519773705.db2.gz WXQYKJIDWNVQMJ-QPPBQGQZSA-N 1 1 472.651 3.751 50 0 JHAAMO CC(C)[C@@H](C)[N@H+](Cc1nc(C(=O)NCCN2CCOCC2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069121 519791348 /nfs/dbraw/zinc/79/13/48/519791348.db2.gz PVLAPNMQIZEOAE-GOSISDBHSA-N 1 1 482.547 3.802 50 0 JHAAMO CC(C)[C@@H](C)[N@@H+](Cc1nc(C(=O)NCCN2CCOCC2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069121 519791349 /nfs/dbraw/zinc/79/13/49/519791349.db2.gz PVLAPNMQIZEOAE-GOSISDBHSA-N 1 1 482.547 3.802 50 0 JHAAMO CCC[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)sc2C1 ZINC000016837668 519863902 /nfs/dbraw/zinc/86/39/02/519863902.db2.gz SBAHMWIUNFMFME-MRXNPFEDSA-N 1 1 462.641 3.584 50 0 JHAAMO CCC[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)sc2C1 ZINC000016837668 519863903 /nfs/dbraw/zinc/86/39/03/519863903.db2.gz SBAHMWIUNFMFME-MRXNPFEDSA-N 1 1 462.641 3.584 50 0 JHAAMO CCOC[C@H](O)C[N@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1 ZINC000036206598 520151515 /nfs/dbraw/zinc/15/15/15/520151515.db2.gz AXUPDXSQISDYCW-QGZVFWFLSA-N 1 1 459.612 3.906 50 0 JHAAMO CCOC[C@H](O)C[N@@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1 ZINC000036206598 520151520 /nfs/dbraw/zinc/15/15/20/520151520.db2.gz AXUPDXSQISDYCW-QGZVFWFLSA-N 1 1 459.612 3.906 50 0 JHAAMO CCCC[N@@H+](C)CCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O ZINC000008610829 520401058 /nfs/dbraw/zinc/40/10/58/520401058.db2.gz YJPJEUXNPDWBIR-UHFFFAOYSA-N 1 1 477.584 3.777 50 0 JHAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccc(C(=O)OC)cc2)CCO3)C1 ZINC000014992758 520540476 /nfs/dbraw/zinc/54/04/76/520540476.db2.gz VTQIDNVPEJRDGH-VWLOTQADSA-N 1 1 493.648 3.948 50 0 JHAAMO CCOc1ccccc1C[N@@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccc(COC)o3)n2CC1 ZINC000014966572 521487332 /nfs/dbraw/zinc/48/73/32/521487332.db2.gz VWOOMKOIUFUFAO-QFIPXVFZSA-N 1 1 495.624 3.992 50 0 JHAAMO CCN1C(=O)C[C@@](CC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)(c2cccc(C(F)(F)F)c2)C1=O ZINC000020362839 521522404 /nfs/dbraw/zinc/52/24/04/521522404.db2.gz SWJWVEUEKWIXDY-PXDATVDWSA-N 1 1 487.522 3.627 50 0 JHAAMO CCN1C(=O)C[C@@](CC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)(c2cccc(C(F)(F)F)c2)C1=O ZINC000020362839 521522410 /nfs/dbraw/zinc/52/24/10/521522410.db2.gz SWJWVEUEKWIXDY-PXDATVDWSA-N 1 1 487.522 3.627 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000036309613 521537521 /nfs/dbraw/zinc/53/75/21/521537521.db2.gz NXBWNZQLVIBNQH-OFNKIYASSA-N 1 1 478.630 3.890 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COCC ZINC000036309827 521537598 /nfs/dbraw/zinc/53/75/98/521537598.db2.gz GKVVRBBSLNSRGE-KNQAVFIVSA-N 1 1 464.603 3.501 50 0 JHAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C(C)=O)cc1)CC[N@H+](Cc1ccccc1)C2 ZINC000035457109 521538278 /nfs/dbraw/zinc/53/82/78/521538278.db2.gz MXBYXYAZTDQUTJ-UHFFFAOYSA-N 1 1 458.562 3.595 50 0 JHAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C(C)=O)cc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000035457109 521538287 /nfs/dbraw/zinc/53/82/87/521538287.db2.gz MXBYXYAZTDQUTJ-UHFFFAOYSA-N 1 1 458.562 3.595 50 0 JHAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)CN1CCOCC1 ZINC000036303961 521679437 /nfs/dbraw/zinc/67/94/37/521679437.db2.gz VSWGGGHJFCUNCH-DEOSSOPVSA-N 1 1 494.636 3.887 50 0 JHAAMO CC[NH+]1CCN(c2cc3c(cc2S(=O)(=O)N2CCCCCC2)C(=O)Nc2ccccc2O3)CC1 ZINC000064986677 521697373 /nfs/dbraw/zinc/69/73/73/521697373.db2.gz MAZQWRXZBPZXSN-UHFFFAOYSA-N 1 1 484.622 3.751 50 0 JHAAMO CC[NH+]1CCN(c2nnc(-n3cccc3CN3CCN(c4cc(Cl)ccc4C)CC3)s2)CC1 ZINC000021880867 521701413 /nfs/dbraw/zinc/70/14/13/521701413.db2.gz CISVQGRATBYTDO-UHFFFAOYSA-N 1 1 486.089 3.755 50 0 JHAAMO CC[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971078 521837440 /nfs/dbraw/zinc/83/74/40/521837440.db2.gz RRUWRLUTLMLVFA-QHCPKHFHSA-N 1 1 478.641 3.921 50 0 JHAAMO COc1cc(-c2noc(CC[N@H+](Cc3ccccc3)C[C@@H](O)COCC(C)C)n2)cc(OC)c1OC ZINC000036154785 521914053 /nfs/dbraw/zinc/91/40/53/521914053.db2.gz ROQSLYWCJMHOKK-JOCHJYFZSA-N 1 1 499.608 3.841 50 0 JHAAMO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2C[C@H](c2cccnc2)N2CCCCC2)cc1 ZINC000012452676 522031294 /nfs/dbraw/zinc/03/12/94/522031294.db2.gz UTYVVLLHSHTOPV-LOSJGSFVSA-N 1 1 464.610 3.566 50 0 JHAAMO COc1cc(C[N@@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)cc2c1OCO2 ZINC000012244307 522406809 /nfs/dbraw/zinc/40/68/09/522406809.db2.gz KLGMHYZEXAPWNO-APWZRJJASA-N 1 1 468.579 3.560 50 0 JHAAMO COc1cc(C[N@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)cc2c1OCO2 ZINC000012244307 522406817 /nfs/dbraw/zinc/40/68/17/522406817.db2.gz KLGMHYZEXAPWNO-APWZRJJASA-N 1 1 468.579 3.560 50 0 JHAAMO CCc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000033139823 522508031 /nfs/dbraw/zinc/50/80/31/522508031.db2.gz XZVDVGAOLAGSLG-UHFFFAOYSA-N 1 1 457.376 3.606 50 0 JHAAMO COc1cc(OC)cc([C@H]2[C@@H](Oc3cc(C)ccc3C)C(=O)N2CCCC[NH+]2CCOCC2)c1 ZINC000048237025 522887653 /nfs/dbraw/zinc/88/76/53/522887653.db2.gz OSAZOKCTJUPATA-IZZNHLLZSA-N 1 1 468.594 3.764 50 0 JHAAMO COCc1cc(N2CC[NH+](C)CC2)nc(SCc2cccc(C(=O)NCc3ccccc3)c2)n1 ZINC000036061653 522930845 /nfs/dbraw/zinc/93/08/45/522930845.db2.gz OTHPTIRRSFVHGR-UHFFFAOYSA-N 1 1 477.634 3.597 50 0 JHAAMO COCCC[N@@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C[C@H](O)COC(C)(C)C ZINC000036205530 523268492 /nfs/dbraw/zinc/26/84/92/523268492.db2.gz ZDQJYKUSOSTVDM-SFHVURJKSA-N 1 1 459.612 3.666 50 0 JHAAMO COCCC[N@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C[C@H](O)COC(C)(C)C ZINC000036205530 523268496 /nfs/dbraw/zinc/26/84/96/523268496.db2.gz ZDQJYKUSOSTVDM-SFHVURJKSA-N 1 1 459.612 3.666 50 0 JHAAMO COCCC[N@@H+](Cc1nc(=O)c2c(-c3ccc(C)cc3)csc2[nH]1)C[C@H](O)COCc1ccco1 ZINC000036207651 523268608 /nfs/dbraw/zinc/26/86/08/523268608.db2.gz NKMAJYLZGDLSEB-FQEVSTJZSA-N 1 1 497.617 3.969 50 0 JHAAMO COCCC[N@H+](Cc1nc(=O)c2c(-c3ccc(C)cc3)csc2[nH]1)C[C@H](O)COCc1ccco1 ZINC000036207651 523268617 /nfs/dbraw/zinc/26/86/17/523268617.db2.gz NKMAJYLZGDLSEB-FQEVSTJZSA-N 1 1 497.617 3.969 50 0 JHAAMO COc1ccc(-c2noc(N3CCC(C(=O)NCCC[N@@H+](C)Cc4ccccc4)CC3)n2)cc1 ZINC000020488470 523298844 /nfs/dbraw/zinc/29/88/44/523298844.db2.gz SGSVUQDTWRSPNU-UHFFFAOYSA-N 1 1 463.582 3.600 50 0 JHAAMO COCCC[N@H+]1CCc2nc(SCc3nc(-c4ccccc4OC)oc3C)[nH]c(=O)c2C1 ZINC000033287171 523303895 /nfs/dbraw/zinc/30/38/95/523303895.db2.gz XFMMNSNFPXLKIV-UHFFFAOYSA-N 1 1 456.568 3.841 50 0 JHAAMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000016379451 524271688 /nfs/dbraw/zinc/27/16/88/524271688.db2.gz OXISBDZCFRPHSS-KRWDZBQOSA-N 1 1 450.004 3.974 50 0 JHAAMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000016379451 524271701 /nfs/dbraw/zinc/27/17/01/524271701.db2.gz OXISBDZCFRPHSS-KRWDZBQOSA-N 1 1 450.004 3.974 50 0 JHAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3cc(F)ccc3F)[nH]c(=O)c2C1 ZINC000033331788 524454671 /nfs/dbraw/zinc/45/46/71/524454671.db2.gz RRQMEBCVYVSLHB-UHFFFAOYSA-N 1 1 472.517 3.758 50 0 JHAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3cc(F)ccc3F)[nH]c(=O)c2C1 ZINC000033331788 524454682 /nfs/dbraw/zinc/45/46/82/524454682.db2.gz RRQMEBCVYVSLHB-UHFFFAOYSA-N 1 1 472.517 3.758 50 0 JHAAMO COc1ccccc1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014751411 524478070 /nfs/dbraw/zinc/47/80/70/524478070.db2.gz MMJMYWNCBFYEKM-FCHUYYIVSA-N 1 1 491.563 3.933 50 0 JHAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000033045216 524735946 /nfs/dbraw/zinc/73/59/46/524735946.db2.gz VUHACOBAHNXQLY-IBGZPJMESA-N 1 1 499.084 3.808 50 0 JHAAMO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2cccc(OC)c2)cc1 ZINC000036098477 524967113 /nfs/dbraw/zinc/96/71/13/524967113.db2.gz RPFLGFFQCPZQDM-NRFANRHFSA-N 1 1 451.519 3.875 50 0 JHAAMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccccc3C[N@H+]3CCCC[C@H]3C)c2)C[C@H](C)O1 ZINC000046809681 525053013 /nfs/dbraw/zinc/05/30/13/525053013.db2.gz ODSQAJJGJCYUEA-VSKRKVRLSA-N 1 1 499.677 3.789 50 0 JHAAMO COc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c(OC)c1 ZINC000036342596 525238829 /nfs/dbraw/zinc/23/88/29/525238829.db2.gz RCZUZLZCEGQBSX-VWLOTQADSA-N 1 1 493.604 3.837 50 0 JHAAMO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccc(OCc3ccccc3)cc1)CC2 ZINC000012280511 525246645 /nfs/dbraw/zinc/24/66/45/525246645.db2.gz NAAGLDJZBSAGCQ-FQEVSTJZSA-N 1 1 471.561 3.999 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008610986 526247413 /nfs/dbraw/zinc/24/74/13/526247413.db2.gz JAXNZKQCFJRUDU-NRFANRHFSA-N 1 1 471.605 3.780 50 0 JHAAMO Cc1nc(-n2ccnc2)cc(N2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)[nH+]1 ZINC000067604769 526626674 /nfs/dbraw/zinc/62/66/74/526626674.db2.gz LRDPVDWPGYJZPS-UHFFFAOYSA-N 1 1 465.867 3.997 50 0 JHAAMO O=C(COCC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)Nc1nncs1 ZINC000048303160 526929528 /nfs/dbraw/zinc/92/95/28/526929528.db2.gz XSNRRXGTUCFNEV-QFIPXVFZSA-N 1 1 472.014 3.554 50 0 JHAAMO O=S(=O)(c1ccc2nc(NCCC[NH+]3CCN(c4ccccc4F)CC3)ccc2c1)N1CCCC1 ZINC000021881964 527281542 /nfs/dbraw/zinc/28/15/42/527281542.db2.gz ZSZWISAXQBHEJH-UHFFFAOYSA-N 1 1 497.640 3.783 50 0 JHAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@@H+](Cc1ccccc1)CC2)NCc1ccccc1 ZINC000035456527 527350872 /nfs/dbraw/zinc/35/08/72/527350872.db2.gz OGEZKXVHMAAROY-UHFFFAOYSA-N 1 1 482.559 3.924 50 0 JHAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2)NCc1ccccc1 ZINC000035456527 527350881 /nfs/dbraw/zinc/35/08/81/527350881.db2.gz OGEZKXVHMAAROY-UHFFFAOYSA-N 1 1 482.559 3.924 50 0 JHAAMO Cn1ccnc1C[N@H+]1C[C@H](C(=O)N2CCCC2)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014745926 527433850 /nfs/dbraw/zinc/43/38/50/527433850.db2.gz MXBQGLGHTKJYIG-ZWKOTPCHSA-N 1 1 450.505 3.578 50 0 JHAAMO Cn1ccnc1C[N@@H+]1C[C@H](C(=O)N2CCCC2)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014745926 527433855 /nfs/dbraw/zinc/43/38/55/527433855.db2.gz MXBQGLGHTKJYIG-ZWKOTPCHSA-N 1 1 450.505 3.578 50 0 JHAAMO Cc1nn(-c2ccc(-c3ccc(C)cc3)nn2)c(C)c1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000033308122 527519347 /nfs/dbraw/zinc/51/93/47/527519347.db2.gz UEHQADVOJRUXOI-UHFFFAOYSA-N 1 1 494.665 3.894 50 0 JHAAMO O=C(NCC[NH+]1CCCCCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000006578054 554553879 /nfs/dbraw/zinc/55/38/79/554553879.db2.gz CPZJKSKVAHHION-UHFFFAOYSA-N 1 1 469.401 3.622 50 0 aggregator JHAAMO CCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NC[C@@H]3CCC[N@H+]3CC)c2c1 ZINC000008814296 554696476 /nfs/dbraw/zinc/69/64/76/554696476.db2.gz RVZSHPIVXNSYSK-FQEVSTJZSA-N 1 1 495.649 3.589 50 0 JHAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc(I)c1O ZINC000008837926 554739125 /nfs/dbraw/zinc/73/91/25/554739125.db2.gz IQHOMKCWHTWDFO-MRXNPFEDSA-N 1 1 485.347 3.874 50 0 JHAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc(I)c1O ZINC000008837926 554739127 /nfs/dbraw/zinc/73/91/27/554739127.db2.gz IQHOMKCWHTWDFO-MRXNPFEDSA-N 1 1 485.347 3.874 50 0 JHAAMO C[N@@H+](CCNC(=O)CCCN1C(=O)[C@H](c2ccccc2)Oc2cccnc21)C1CCCCC1 ZINC000009114933 554901723 /nfs/dbraw/zinc/90/17/23/554901723.db2.gz CIRAEKFUNKPLSG-DEOSSOPVSA-N 1 1 450.583 3.709 50 0 JHAAMO CCC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2ccc(CC)cc2)cn3C)CC1 ZINC000009119198 554909748 /nfs/dbraw/zinc/90/97/48/554909748.db2.gz QFPNSNVZXQQSOF-UHFFFAOYSA-N 1 1 471.598 3.605 50 0 JHAAMO CCOC(=O)C1CC[NH+](C[C@H](O)COc2ccc3c(c2)oc(C)c(-c2ccc(OC)cc2)c3=O)CC1 ZINC000009136537 554932605 /nfs/dbraw/zinc/93/26/05/554932605.db2.gz JTPNPPALABQGPQ-NRFANRHFSA-N 1 1 495.572 3.792 50 0 JHAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000009211278 554981237 /nfs/dbraw/zinc/98/12/37/554981237.db2.gz DRQJOBTXKFBZIS-BGYRXZFFSA-N 1 1 467.662 3.538 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009220101 554989008 /nfs/dbraw/zinc/98/90/08/554989008.db2.gz ZMXNUFXPFYYHHJ-IBGZPJMESA-N 1 1 487.622 3.643 50 0 JHAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3nnc(Cc4ccccc4Cl)o3)C[C@@H]2C)c1 ZINC000009561249 555358813 /nfs/dbraw/zinc/35/88/13/555358813.db2.gz CZQOHAMZRVZCJJ-IBGZPJMESA-N 1 1 468.001 3.953 50 0 JHAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(CN2CCOCC2)cc1 ZINC000009712054 555435482 /nfs/dbraw/zinc/43/54/82/555435482.db2.gz QLGQGQBNGBAIRM-UHFFFAOYSA-N 1 1 450.608 3.947 50 0 JHAAMO O=C(CCN1C(=O)c2ccccc2C1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013511781 555483491 /nfs/dbraw/zinc/48/34/91/555483491.db2.gz GNRMFDIIKFCAEW-UHFFFAOYSA-N 1 1 453.542 3.607 50 0 JHAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1cccc(F)c1 ZINC000019877662 555524536 /nfs/dbraw/zinc/52/45/36/555524536.db2.gz OUTHHSOICKXXET-UHFFFAOYSA-N 1 1 481.593 3.526 50 0 JHAAMO COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]3CCC[N@@H+]3[C@]23C(=O)Nc2c3cc(Cl)cc2C)c1 ZINC000013592020 555526450 /nfs/dbraw/zinc/52/64/50/555526450.db2.gz SMOKTNLPARAYGW-MBSHLRGSSA-N 1 1 455.942 3.936 50 0 JHAAMO COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]3CCC[N@H+]3[C@]23C(=O)Nc2c3cc(Cl)cc2C)c1 ZINC000013592020 555526453 /nfs/dbraw/zinc/52/64/53/555526453.db2.gz SMOKTNLPARAYGW-MBSHLRGSSA-N 1 1 455.942 3.936 50 0 JHAAMO COc1ccc(-c2c[nH]nc2-c2ccc(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2O)cc1OC ZINC000013627585 555539888 /nfs/dbraw/zinc/53/98/88/555539888.db2.gz DLTWUGFCADKKFT-CALCHBBNSA-N 1 1 453.539 3.955 50 0 JHAAMO COc1ccc(-c2c[nH]nc2-c2ccc(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2O)cc1OC ZINC000013627585 555539894 /nfs/dbraw/zinc/53/98/94/555539894.db2.gz DLTWUGFCADKKFT-CALCHBBNSA-N 1 1 453.539 3.955 50 0 JHAAMO O=C1C[C@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CN1c1ccc(Br)cc1 ZINC000019939658 555557833 /nfs/dbraw/zinc/55/78/33/555557833.db2.gz VOORCADSKYLFHX-KRWDZBQOSA-N 1 1 469.383 3.652 50 0 JHAAMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000013727747 555601630 /nfs/dbraw/zinc/60/16/30/555601630.db2.gz PJGIDCLEWIMOQE-FJRSXGRASA-N 1 1 488.547 3.535 50 0 JHAAMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000013727747 555601633 /nfs/dbraw/zinc/60/16/33/555601633.db2.gz PJGIDCLEWIMOQE-FJRSXGRASA-N 1 1 488.547 3.535 50 0 JHAAMO COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000020152543 555670184 /nfs/dbraw/zinc/67/01/84/555670184.db2.gz RFSLFXTYEZZUIR-BVFVYWQFSA-N 1 1 479.621 3.885 50 0 JHAAMO CN1CC[NH+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Sc3ccccc32)CC1 ZINC000020181065 555687607 /nfs/dbraw/zinc/68/76/07/555687607.db2.gz BREFLIVLZLFJOI-HAVVHWLPSA-N 1 1 485.053 3.574 50 0 JHAAMO COc1ccc2cc3cc(C(=O)NCCC[NH+]4CCN(Cc5ccccc5)CC4)oc3nc2c1 ZINC000020210105 555702846 /nfs/dbraw/zinc/70/28/46/555702846.db2.gz PFWLIKXIKYJHSM-UHFFFAOYSA-N 1 1 458.562 3.927 50 0 JHAAMO C[C@H](NC(=O)C(=O)NCc1ccc(F)cc1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020288560 555758073 /nfs/dbraw/zinc/75/80/73/555758073.db2.gz AIALLAMHVBMJIY-NBGIEHNGSA-N 1 1 494.636 3.567 50 0 JHAAMO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000020347442 555779574 /nfs/dbraw/zinc/77/95/74/555779574.db2.gz QTUIADCHEJOOFJ-UHFFFAOYSA-N 1 1 463.603 3.778 50 0 JHAAMO CCN1CC[NH+](CCCNC(=O)Cc2ccc(-n3c(-c4ccccc4)nc4cccnc43)cc2)CC1 ZINC000020559733 555810612 /nfs/dbraw/zinc/81/06/12/555810612.db2.gz FQSNDOCIPMCIAQ-UHFFFAOYSA-N 1 1 482.632 3.774 50 0 JHAAMO Cc1c2c(nn1-c1ccccc1)c(N1CCC(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)CC1)nnc2C ZINC000020564186 555817052 /nfs/dbraw/zinc/81/70/52/555817052.db2.gz DSIGEFXRPINYSC-IBGZPJMESA-N 1 1 475.641 3.639 50 0 JHAAMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(NCc3cccc(F)c3)cc(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000014542210 555833058 /nfs/dbraw/zinc/83/30/58/555833058.db2.gz BLJKKJQTTQWLHK-IBGZPJMESA-N 1 1 490.645 3.586 50 0 JHAAMO CCOC(=O)N1CC[NH+]([C@@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c43)C2)CC1 ZINC000014987878 555841829 /nfs/dbraw/zinc/84/18/29/555841829.db2.gz HNCPKEZPYGWFEY-GOSISDBHSA-N 1 1 458.628 3.670 50 0 JHAAMO COc1cc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)ccc1O ZINC000011874503 555847971 /nfs/dbraw/zinc/84/79/71/555847971.db2.gz PTQDKTPHNVAYPX-HSZRJFAPSA-N 1 1 451.611 3.737 50 0 JHAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000011881787 555850315 /nfs/dbraw/zinc/85/03/15/555850315.db2.gz FTRFBTCMQZFSBW-BKMJKUGQSA-N 1 1 499.627 3.809 50 0 JHAAMO COC(=O)CC[C@H]1CN(Cc2cc(OC)cc(OC)c2)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1 ZINC000011881787 555850318 /nfs/dbraw/zinc/85/03/18/555850318.db2.gz FTRFBTCMQZFSBW-BKMJKUGQSA-N 1 1 499.627 3.809 50 0 JHAAMO CC(=O)Nc1cc(C(=O)NCC2([NH+]3CCOCC3)CCCC2)cc2ncn(Cc3ccc(F)cc3)c21 ZINC000015068027 555867919 /nfs/dbraw/zinc/86/79/19/555867919.db2.gz YMWYSRZOHHEDFR-UHFFFAOYSA-N 1 1 493.583 3.557 50 0 JHAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)CSc1nnc2c3ccccc3n(C)c2n1 ZINC000015080175 555872352 /nfs/dbraw/zinc/87/23/52/555872352.db2.gz DFYVCPBYRSUYRV-GHTZIAJQSA-N 1 1 458.591 3.752 50 0 JHAAMO COc1ccccc1[C@@H]1C[N@H+](CCNC(=O)c2ccc3c(c2)OCCO3)Cc2ccccc2O1 ZINC000011970179 555873651 /nfs/dbraw/zinc/87/36/51/555873651.db2.gz SIAYXPACFAWEFH-SANMLTNESA-N 1 1 460.530 3.832 50 0 JHAAMO COc1ccccc1[C@@H]1C[N@@H+](CCNC(=O)c2ccc3c(c2)OCCO3)Cc2ccccc2O1 ZINC000011970179 555873656 /nfs/dbraw/zinc/87/36/56/555873656.db2.gz SIAYXPACFAWEFH-SANMLTNESA-N 1 1 460.530 3.832 50 0 JHAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2nnc([C@H](C)NC(=O)c3cc(F)ccc3F)n2CC1 ZINC000011997576 555879361 /nfs/dbraw/zinc/87/93/61/555879361.db2.gz IYSFOFNUKKUJJH-UABRLCRWSA-N 1 1 467.520 3.627 50 0 JHAAMO COc1ccccc1[C@H]1C[N@H+](CCNC(=O)[C@H](c2cccnc2)N2CCCC2)Cc2ccccc2O1 ZINC000012134559 555912668 /nfs/dbraw/zinc/91/26/68/555912668.db2.gz SLJCRELKIUPRBY-IZLXSDGUSA-N 1 1 486.616 3.979 50 0 JHAAMO COc1ccccc1[C@H]1C[N@@H+](CCNC(=O)[C@H](c2cccnc2)N2CCCC2)Cc2ccccc2O1 ZINC000012134559 555912671 /nfs/dbraw/zinc/91/26/71/555912671.db2.gz SLJCRELKIUPRBY-IZLXSDGUSA-N 1 1 486.616 3.979 50 0 JHAAMO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2nc(-c4ccccc4)cs2)CC3)cc1 ZINC000012191116 555938469 /nfs/dbraw/zinc/93/84/69/555938469.db2.gz HMANLJPKXIQDNM-UHFFFAOYSA-N 1 1 472.618 3.741 50 0 JHAAMO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2nc(-c4ccccc4)cs2)CC3)cc1 ZINC000012191116 555938473 /nfs/dbraw/zinc/93/84/73/555938473.db2.gz HMANLJPKXIQDNM-UHFFFAOYSA-N 1 1 472.618 3.741 50 0 JHAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000015681527 555950625 /nfs/dbraw/zinc/95/06/25/555950625.db2.gz ZDPMTUDREPJDNY-UHFFFAOYSA-N 1 1 490.558 3.883 50 0 JHAAMO Cn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000015681702 555951282 /nfs/dbraw/zinc/95/12/82/555951282.db2.gz ORFOUMGKMISNRO-UHFFFAOYSA-N 1 1 495.574 3.525 50 0 JHAAMO CCOc1ccccc1CNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726115 555963514 /nfs/dbraw/zinc/96/35/14/555963514.db2.gz ALCHKEKCMREZEV-FQEVSTJZSA-N 1 1 480.565 3.681 50 0 JHAAMO CCOc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726115 555963517 /nfs/dbraw/zinc/96/35/17/555963517.db2.gz ALCHKEKCMREZEV-FQEVSTJZSA-N 1 1 480.565 3.681 50 0 JHAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)n2)cc1OC ZINC000015726179 555963982 /nfs/dbraw/zinc/96/39/82/555963982.db2.gz UEJCAUBUMGMJSS-GOSISDBHSA-N 1 1 470.957 3.936 50 0 JHAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)n2)cc1OC ZINC000015726179 555963983 /nfs/dbraw/zinc/96/39/83/555963983.db2.gz UEJCAUBUMGMJSS-GOSISDBHSA-N 1 1 470.957 3.936 50 0 JHAAMO CCc1ccc(CNC(=O)C2CC[NH+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)cc1 ZINC000015726391 555964649 /nfs/dbraw/zinc/96/46/49/555964649.db2.gz SGRQROUQFSDYOB-UHFFFAOYSA-N 1 1 464.566 3.845 50 0 JHAAMO O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908022 555965155 /nfs/dbraw/zinc/96/51/55/555965155.db2.gz KFXDNOZGJZGRFE-NRFANRHFSA-N 1 1 453.995 3.934 50 0 JHAAMO O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908022 555965157 /nfs/dbraw/zinc/96/51/57/555965157.db2.gz KFXDNOZGJZGRFE-NRFANRHFSA-N 1 1 453.995 3.934 50 0 JHAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1)Nc1ccccc1 ZINC000022912096 555967617 /nfs/dbraw/zinc/96/76/17/555967617.db2.gz VPOGURFRJXKURB-UHFFFAOYSA-N 1 1 468.907 3.944 50 0 JHAAMO CC(C)c1ccc(C[NH+]2CCN([C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000022919025 555972931 /nfs/dbraw/zinc/97/29/31/555972931.db2.gz BRYXYQKMJONHQS-JOCHJYFZSA-N 1 1 450.627 3.791 50 0 JHAAMO CC[C@H](C)[N@@H+](CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)Cc1cccs1 ZINC000015731057 555973533 /nfs/dbraw/zinc/97/35/33/555973533.db2.gz YYNHZKMBOYVZMM-HNNXBMFYSA-N 1 1 453.655 3.761 50 0 JHAAMO Cc1cc(C)n(Cc2c(C)onc2C(=O)NCC[N@@H+](CCc2ccccc2)Cc2ccco2)n1 ZINC000015736254 555982959 /nfs/dbraw/zinc/98/29/59/555982959.db2.gz ADTCJWXTOJRJNU-UHFFFAOYSA-N 1 1 461.566 3.912 50 0 JHAAMO CCN1CC[NH+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2cccc(C)c2)S3)CC1 ZINC000022938932 555992322 /nfs/dbraw/zinc/99/23/22/555992322.db2.gz JSXANYJOQKBRSZ-JJIBRWJFSA-N 1 1 464.635 3.838 50 0 JHAAMO COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000012521192 555992846 /nfs/dbraw/zinc/99/28/46/555992846.db2.gz RZPNFMVOHXKCMH-UHFFFAOYSA-N 1 1 479.602 3.890 50 0 JHAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000023055239 556003315 /nfs/dbraw/zinc/00/33/15/556003315.db2.gz QQQYENIRZKYDTA-QFIPXVFZSA-N 1 1 459.612 3.810 50 0 JHAAMO O=C(Nc1ccc(F)c(F)c1)[C@@H]1CC12CCN(C(=O)C1([NH+]3CCOCC3)CCCCC1)CC2 ZINC000023128748 556018187 /nfs/dbraw/zinc/01/81/87/556018187.db2.gz QMFOEOBDFZWOCL-IBGZPJMESA-N 1 1 461.553 3.567 50 0 JHAAMO COc1ccc(C)cc1C[NH+]1CCN(CN2C(=O)N[C@](CC(C)C)(c3ccccc3)C2=O)CC1 ZINC000023257623 556036342 /nfs/dbraw/zinc/03/63/42/556036342.db2.gz YSWCZJHIWWZULN-HHHXNRCGSA-N 1 1 464.610 3.572 50 0 JHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000015864569 556040274 /nfs/dbraw/zinc/04/02/74/556040274.db2.gz WYFOMVBIDRYCGG-INIZCTEOSA-N 1 1 478.460 3.785 50 0 JHAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000012567548 556066816 /nfs/dbraw/zinc/06/68/16/556066816.db2.gz HTOLVTROHCZJRU-UHFFFAOYSA-N 1 1 476.621 3.670 50 0 JHAAMO Cc1sc2nc(CSc3ccc(Br)cc3)nc(N3CC[NH2+][C@H](C(N)=O)C3)c2c1C ZINC000012568461 556069078 /nfs/dbraw/zinc/06/90/78/556069078.db2.gz FXRZYPRHWOGRHF-HNNXBMFYSA-N 1 1 492.468 3.626 50 0 JHAAMO O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023880883 556097371 /nfs/dbraw/zinc/09/73/71/556097371.db2.gz YTRRGURGGRZDDY-UHFFFAOYSA-N 1 1 460.530 3.784 50 0 JHAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015990032 556102376 /nfs/dbraw/zinc/10/23/76/556102376.db2.gz OOGVVLACMFNPTO-VKDGWMQASA-N 1 1 470.356 3.839 50 0 JHAAMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015990377 556102605 /nfs/dbraw/zinc/10/26/05/556102605.db2.gz FHIXKGYRGKAFAC-CMCWBKRRSA-N 1 1 469.463 3.551 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016000133 556104591 /nfs/dbraw/zinc/10/45/91/556104591.db2.gz CORTVJDNQYEVRF-DDOIHHOZSA-N 1 1 474.319 3.872 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000133 556104595 /nfs/dbraw/zinc/10/45/95/556104595.db2.gz CORTVJDNQYEVRF-DDOIHHOZSA-N 1 1 474.319 3.872 50 0 JHAAMO CCCCn1c2nc(C[N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)n(CC)c2c(=O)[nH]c1=O ZINC000023956659 556105539 /nfs/dbraw/zinc/10/55/39/556105539.db2.gz RWLGAMBNDOGPJH-INIZCTEOSA-N 1 1 466.611 3.696 50 0 JHAAMO CCCCn1c2nc(C[N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)n(CC)c2c(=O)[nH]c1=O ZINC000023956659 556105542 /nfs/dbraw/zinc/10/55/42/556105542.db2.gz RWLGAMBNDOGPJH-INIZCTEOSA-N 1 1 466.611 3.696 50 0 JHAAMO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016010348 556110143 /nfs/dbraw/zinc/11/01/43/556110143.db2.gz HDFCKWMEPBPNLL-UAKAABGRSA-N 1 1 469.463 3.699 50 0 JHAAMO CCOc1ccc(NC(=O)C[N@@H+](C)CC2CCCCC2)cc1S(=O)(=O)N1CCCCC1 ZINC000025047193 556173898 /nfs/dbraw/zinc/17/38/98/556173898.db2.gz XOJZSVGRSQUYRR-UHFFFAOYSA-N 1 1 451.633 3.711 50 0 JHAAMO Cc1cc(=O)c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)nn1-c1ccccc1C(F)(F)F ZINC000013015351 556206801 /nfs/dbraw/zinc/20/68/01/556206801.db2.gz PVCZZUZLMQGGSQ-LJQANCHMSA-N 1 1 462.447 3.732 50 0 JHAAMO C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000027904211 556309540 /nfs/dbraw/zinc/30/95/40/556309540.db2.gz IKCAENKIPCPJRQ-OAHLLOKOSA-N 1 1 458.035 3.781 50 0 JHAAMO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Nc4ccc(OC(F)(F)F)cc4)CC3)C2=O)cc1 ZINC000018220121 556312852 /nfs/dbraw/zinc/31/28/52/556312852.db2.gz QYDFYLLAVQIKAX-HXUWFJFHSA-N 1 1 463.456 3.802 50 0 JHAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCN(c4cc(C)nc5ncnn54)CC3)c2c1C ZINC000030587608 556367818 /nfs/dbraw/zinc/36/78/18/556367818.db2.gz AHNJORXDZDJWIW-UHFFFAOYSA-N 1 1 491.669 3.613 50 0 JHAAMO O=C(C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019823033 556392845 /nfs/dbraw/zinc/39/28/45/556392845.db2.gz FLJKVZAUPSPHRP-UHFFFAOYSA-N 1 1 496.460 3.739 50 0 JHAAMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)/C=C/c4ccc5c(c4)CCO5)CC3)n2)cc1 ZINC000032913251 556537788 /nfs/dbraw/zinc/53/77/88/556537788.db2.gz DYGMOQGHFKQEFZ-YRNVUSSQSA-N 1 1 458.562 3.770 50 0 JHAAMO CCCCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)C[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000008670648 562949174 /nfs/dbraw/zinc/94/91/74/562949174.db2.gz FCLYWPVTPIFLNH-LJQANCHMSA-N 1 1 484.593 3.916 50 0 JHAAMO CCCCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)C[N@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000008670648 562949175 /nfs/dbraw/zinc/94/91/75/562949175.db2.gz FCLYWPVTPIFLNH-LJQANCHMSA-N 1 1 484.593 3.916 50 0 JHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 ZINC000019791169 563015263 /nfs/dbraw/zinc/01/52/63/563015263.db2.gz NRKUSVIZUASEGY-UHFFFAOYSA-N 1 1 476.581 3.565 50 0 JHAAMO Cc1cc(C)n(CCN2C(=O)c3cccc(N4CC[NH+](Cc5ccccc5Cl)CC4)c3C2=O)n1 ZINC000055326644 569591557 /nfs/dbraw/zinc/59/15/57/569591557.db2.gz JSLXORWDTWYSEU-UHFFFAOYSA-N 1 1 477.996 3.772 50 0 JHAAMO CCC[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2C1 ZINC000056928519 569592515 /nfs/dbraw/zinc/59/25/15/569592515.db2.gz ZDPWWELTDQSMFC-UHFFFAOYSA-N 1 1 496.658 3.911 50 0 JHAAMO CCC[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2C1 ZINC000056928519 569592516 /nfs/dbraw/zinc/59/25/16/569592516.db2.gz ZDPWWELTDQSMFC-UHFFFAOYSA-N 1 1 496.658 3.911 50 0 JHAAMO CC(C)c1ccc([C@@H]([NH2+]CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c2cccs2)cc1 ZINC000057331828 569598898 /nfs/dbraw/zinc/59/88/98/569598898.db2.gz KBKGWCFWJOXCPE-OAQYLSRUSA-N 1 1 454.596 3.836 50 0 JHAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CSc2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 ZINC000033011557 569617102 /nfs/dbraw/zinc/61/71/02/569617102.db2.gz SIYSWFQFAPUCBF-AWEZNQCLSA-N 1 1 468.048 3.774 50 0 JHAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)cc1Cl ZINC000033326871 569624126 /nfs/dbraw/zinc/62/41/26/569624126.db2.gz AFXIVTARSFBIQT-UHFFFAOYSA-N 1 1 489.985 3.828 50 0 JHAAMO CC[NH+]1CCN(C(=O)CN(C)c2nn3c(nc(-c4ccc(C)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064704087 569624758 /nfs/dbraw/zinc/62/47/58/569624758.db2.gz BUDLBEFLRJPQAK-UHFFFAOYSA-N 1 1 469.659 3.577 50 0 JHAAMO COc1ccccc1C(=O)N1CCc2nc(N3CC[NH+](C)CC3)nc(Oc3ccc(C)cc3)c2C1 ZINC000034676644 569641465 /nfs/dbraw/zinc/64/14/65/569641465.db2.gz WDVFFGWDCXUULL-UHFFFAOYSA-N 1 1 473.577 3.536 50 0 JHAAMO C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062298 569655795 /nfs/dbraw/zinc/65/57/95/569655795.db2.gz PVNBZOMCZFGKPU-QGZVFWFLSA-N 1 1 484.087 3.687 50 0 JHAAMO COc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(Cc2ccsc2)CC3)c1 ZINC000034755849 569656238 /nfs/dbraw/zinc/65/62/38/569656238.db2.gz NJAVXIXPPNHDNN-UHFFFAOYSA-N 1 1 451.596 3.649 50 0 JHAAMO COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1CN(C(=O)c1ccccc1Cl)CC2 ZINC000034757791 569657092 /nfs/dbraw/zinc/65/70/92/569657092.db2.gz HCQMEHVABVDAOG-UHFFFAOYSA-N 1 1 493.995 3.881 50 0 JHAAMO CCOC(=O)c1ccc(NC(=O)[C@H](CC)[NH+]2CCC(C(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000035345657 569681406 /nfs/dbraw/zinc/68/14/06/569681406.db2.gz BIHPRYJTJDCLPS-YDHSSHFGSA-N 1 1 457.615 3.797 50 0 JHAAMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+](C)Cc2ccccc2N2CCCCC2)CC1 ZINC000035388167 569686945 /nfs/dbraw/zinc/68/69/45/569686945.db2.gz WRXRYYRENACDHY-UHFFFAOYSA-N 1 1 491.680 3.508 50 0 JHAAMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+](C)Cc2ccccc2N2CCCCC2)CC1 ZINC000035388167 569686946 /nfs/dbraw/zinc/68/69/46/569686946.db2.gz WRXRYYRENACDHY-UHFFFAOYSA-N 1 1 491.680 3.508 50 0 JHAAMO CC[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCCn1c2ccccc2c2cnn(C)c(=O)c21 ZINC000035397032 569687798 /nfs/dbraw/zinc/68/77/98/569687798.db2.gz RVXIOINWRYLWNL-NRFANRHFSA-N 1 1 459.594 3.695 50 0 JHAAMO Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc(C[N@H+]4CCC[C@H](C(N)=O)C4)cc3)CCCC2)c1 ZINC000068832115 569692416 /nfs/dbraw/zinc/69/24/16/569692416.db2.gz ODWMHEUFTIWJHD-QFIPXVFZSA-N 1 1 497.661 3.726 50 0 JHAAMO COCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cccc(C(=O)OC)c1 ZINC000035843599 569714561 /nfs/dbraw/zinc/71/45/61/569714561.db2.gz PVAUYZYTARMBTH-HSZRJFAPSA-N 1 1 460.571 3.725 50 0 JHAAMO COCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cccc(C(=O)OC)c1 ZINC000035843599 569714563 /nfs/dbraw/zinc/71/45/63/569714563.db2.gz PVAUYZYTARMBTH-HSZRJFAPSA-N 1 1 460.571 3.725 50 0 JHAAMO O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000089779527 569719892 /nfs/dbraw/zinc/71/98/92/569719892.db2.gz CUABVFSDMLRIRX-UHFFFAOYSA-N 1 1 481.607 3.735 50 0 JHAAMO COc1cc(C[NH+]2CCN(c3ccc(NC(=O)c4ccc(F)cc4F)cn3)CC2)ccc1O ZINC000095543358 569726677 /nfs/dbraw/zinc/72/66/77/569726677.db2.gz SNLADRXBXGZDOZ-UHFFFAOYSA-N 1 1 454.477 3.649 50 0 JHAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](C(=O)OCC)C2)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000035991273 569744392 /nfs/dbraw/zinc/74/43/92/569744392.db2.gz CKXKFIPZXXFANW-REWPJTCUSA-N 1 1 471.598 3.598 50 0 JHAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](C(=O)OCC)C2)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000035991273 569744393 /nfs/dbraw/zinc/74/43/93/569744393.db2.gz CKXKFIPZXXFANW-REWPJTCUSA-N 1 1 471.598 3.598 50 0 JHAAMO CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CC[NH+](CCc4ccccn4)CC3)C2=O)cc1 ZINC000100205915 569755357 /nfs/dbraw/zinc/75/53/57/569755357.db2.gz VCDLMSXSJOXOJX-RUZDIDTESA-N 1 1 464.610 3.533 50 0 JHAAMO Cc1ccc(Cc2c(C)nc(C)nc2N2CC[NH+](C[C@H](O)COc3ccccc3C)CC2)cc1 ZINC000036340486 569763999 /nfs/dbraw/zinc/76/39/99/569763999.db2.gz UNLTWTTYAHHYRP-VWLOTQADSA-N 1 1 460.622 3.863 50 0 JHAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000036342251 569765640 /nfs/dbraw/zinc/76/56/40/569765640.db2.gz AAKWFQIWGHGJQX-HSZRJFAPSA-N 1 1 469.969 3.865 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343355 569766357 /nfs/dbraw/zinc/76/63/57/569766357.db2.gz BKXWTMALVGKYPV-YKSBVNFPSA-N 1 1 479.577 3.657 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343355 569766359 /nfs/dbraw/zinc/76/63/59/569766359.db2.gz BKXWTMALVGKYPV-YKSBVNFPSA-N 1 1 479.577 3.657 50 0 JHAAMO O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000036594098 569777247 /nfs/dbraw/zinc/77/72/47/569777247.db2.gz WOWCXVOKYYMRMT-XMMPIXPASA-N 1 1 468.557 3.711 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(C)n3-c3ccccc3OC)cc2)CC1 ZINC000037398083 569787063 /nfs/dbraw/zinc/78/70/63/569787063.db2.gz AHNYABASUISTBA-UHFFFAOYSA-N 1 1 451.596 3.654 50 0 JHAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344713 569793794 /nfs/dbraw/zinc/79/37/94/569793794.db2.gz ZVENPOCPTBEMON-FLFXDLLNSA-N 1 1 469.463 3.753 50 0 JHAAMO C[NH+](C)CCNc1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000039404156 569809716 /nfs/dbraw/zinc/80/97/16/569809716.db2.gz QSQHVDHYRQUKKL-UHFFFAOYSA-N 1 1 463.943 3.573 50 0 JHAAMO O=C(CN1C[C@H](c2ccccc2)CC1=O)NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000039467252 569810018 /nfs/dbraw/zinc/81/00/18/569810018.db2.gz HNFCHLYAPHJZKG-KCWPFWIISA-N 1 1 487.575 3.894 50 0 JHAAMO O=C(CN1C[C@H](c2ccccc2)CC1=O)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000039467252 569810020 /nfs/dbraw/zinc/81/00/20/569810020.db2.gz HNFCHLYAPHJZKG-KCWPFWIISA-N 1 1 487.575 3.894 50 0 JHAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)CCC2CCCC2)CC1 ZINC000040160392 569822569 /nfs/dbraw/zinc/82/25/69/569822569.db2.gz PSRYOBDPPMDHEH-UHFFFAOYSA-N 1 1 462.660 3.522 50 0 JHAAMO CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1nc(=O)c2c3c(sc2[nH]1)CN(Cc1ccccc1)CC3 ZINC000040404265 569827788 /nfs/dbraw/zinc/82/77/88/569827788.db2.gz QSXJNMNCRGIDBW-NRFANRHFSA-N 1 1 498.693 3.788 50 0 JHAAMO CCOC[C@@H](O)C[N@@H+](CCC(C)C)Cc1nc(=O)c2c3c(sc2[nH]1)CN(Cc1ccccc1)CC3 ZINC000040404265 569827790 /nfs/dbraw/zinc/82/77/90/569827790.db2.gz QSXJNMNCRGIDBW-NRFANRHFSA-N 1 1 498.693 3.788 50 0 JHAAMO CN(Cc1ccccc1OC(F)(F)F)CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000048313306 569845700 /nfs/dbraw/zinc/84/57/00/569845700.db2.gz JPQNSKYXVCVIKD-HSZRJFAPSA-N 1 1 476.499 3.561 50 0 JHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1 ZINC000049581399 569849087 /nfs/dbraw/zinc/84/90/87/569849087.db2.gz DRAIAMACLQFFLK-FQEVSTJZSA-N 1 1 472.549 3.521 50 0 JHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1 ZINC000049581399 569849088 /nfs/dbraw/zinc/84/90/88/569849088.db2.gz DRAIAMACLQFFLK-FQEVSTJZSA-N 1 1 472.549 3.521 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@H](O)COCC ZINC000105002722 569849189 /nfs/dbraw/zinc/84/91/89/569849189.db2.gz DXUYJOQAAKCDIC-RBBKRZOGSA-N 1 1 460.640 3.671 50 0 JHAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@H](O)COCC(C)C ZINC000105004397 569849659 /nfs/dbraw/zinc/84/96/59/569849659.db2.gz ARFKNZJTKKSPEL-JTHBVZDNSA-N 1 1 474.667 3.917 50 0 JHAAMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000049713921 569850104 /nfs/dbraw/zinc/85/01/04/569850104.db2.gz JBBVYRMDYSDCJB-KANGHSEISA-N 1 1 475.854 3.790 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@@H]2c2ccc(OC)cc2)C1 ZINC000105011201 569850849 /nfs/dbraw/zinc/85/08/49/569850849.db2.gz PSRXGSFZWLGIRD-HYBUGGRVSA-N 1 1 467.541 3.787 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@@H]2c2ccc(OC)cc2)C1 ZINC000105011201 569850850 /nfs/dbraw/zinc/85/08/50/569850850.db2.gz PSRXGSFZWLGIRD-HYBUGGRVSA-N 1 1 467.541 3.787 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@]12[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000107175801 569856276 /nfs/dbraw/zinc/85/62/76/569856276.db2.gz HXWFCGOGBAZVCZ-BPUGDSSMSA-N 1 1 457.917 3.924 50 0 JHAAMO O=C1Nc2c(cccc2Cl)[C@]12[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000107175801 569856277 /nfs/dbraw/zinc/85/62/77/569856277.db2.gz HXWFCGOGBAZVCZ-BPUGDSSMSA-N 1 1 457.917 3.924 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](O)COC ZINC000169677953 569869049 /nfs/dbraw/zinc/86/90/49/569869049.db2.gz NURVWNZHPAZHMX-IFMALSPDSA-N 1 1 460.640 3.589 50 0 JHAAMO COc1cc2c(cc1OC)CN(Cc1coc(=O)c(C[N@H+]3CC[C@@H](c4ccccc4)C3)c1[O-])CC2 ZINC000226890381 570039334 /nfs/dbraw/zinc/03/93/34/570039334.db2.gz BDOYTXBPSGUHRT-OAQYLSRUSA-N 1 1 476.573 3.910 50 0 JHAAMO COc1cc2c(cc1OC)C[N@H+](Cc1coc(=O)c(C[NH+]3CC[C@@H](c4ccccc4)C3)c1[O-])CC2 ZINC000226890381 570039336 /nfs/dbraw/zinc/03/93/36/570039336.db2.gz BDOYTXBPSGUHRT-OAQYLSRUSA-N 1 1 476.573 3.910 50 0 JHAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1coc(=O)c(C[NH+]3CC[C@@H](c4ccccc4)C3)c1[O-])CC2 ZINC000226890381 570039338 /nfs/dbraw/zinc/03/93/38/570039338.db2.gz BDOYTXBPSGUHRT-OAQYLSRUSA-N 1 1 476.573 3.910 50 0 JHAAMO COc1cc2c(cc1OC)C[NH+](Cc1coc(=O)c(C[N@@H+]3CC[C@@H](c4ccccc4)C3)c1[O-])CC2 ZINC000226890381 570039340 /nfs/dbraw/zinc/03/93/40/570039340.db2.gz BDOYTXBPSGUHRT-OAQYLSRUSA-N 1 1 476.573 3.910 50 0 JHAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000229638381 570040795 /nfs/dbraw/zinc/04/07/95/570040795.db2.gz ASURZQRPSMSXKP-KIHHCIJBSA-N 1 1 453.473 3.980 50 0 JHAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000229638381 570040797 /nfs/dbraw/zinc/04/07/97/570040797.db2.gz ASURZQRPSMSXKP-KIHHCIJBSA-N 1 1 453.473 3.980 50 0 JHAAMO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1 ZINC000239352325 570051232 /nfs/dbraw/zinc/05/12/32/570051232.db2.gz ABROOOZQBGVEKG-AJTFRIOCSA-N 1 1 477.557 3.878 50 0 JHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000245329667 570066628 /nfs/dbraw/zinc/06/66/28/570066628.db2.gz VHQBMUYRVVWCNV-RDGATRHJSA-N 1 1 469.674 3.776 50 0 JHAAMO CC(C)OC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)CC1CC1 ZINC000245330432 570066772 /nfs/dbraw/zinc/06/67/72/570066772.db2.gz YNLHMMLJEMIRJG-NFBKMPQASA-N 1 1 490.641 3.890 50 0 JHAAMO C[C@H](CNC(=O)Cc1ccc(F)cc1)Oc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000299792736 570177210 /nfs/dbraw/zinc/17/72/10/570177210.db2.gz FUASKLDGEFWTFF-JOCHJYFZSA-N 1 1 476.596 3.665 50 0 JHAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(F)c3)Oc3ccccc32)C1 ZINC000003057122 194221437 /nfs/dbraw/zinc/22/14/37/194221437.db2.gz JYHWUXJCKNJIFU-GXDFBKAQSA-N 1 1 451.542 3.830 50 0 JHAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000004100629 194377584 /nfs/dbraw/zinc/37/75/84/194377584.db2.gz VWDIUYYTYKKCMI-CLJLJLNGSA-N 1 1 479.621 3.779 50 0 JHAAMO COc1ccc2[nH]cc(CCNC3=[NH+][C@H](c4ccc(Cl)cc4)n4c(=O)cc(C)nc4N3)c2c1 ZINC000009936888 195028095 /nfs/dbraw/zinc/02/80/95/195028095.db2.gz YEHMDKBGYDVXGS-QFIPXVFZSA-N 1 1 462.941 3.856 50 0 JHAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)CCC2CCCCC2)CC1 ZINC000012597998 195044161 /nfs/dbraw/zinc/04/41/61/195044161.db2.gz OBZZCRUHOXXTCW-UHFFFAOYSA-N 1 1 476.687 3.912 50 0 JHAAMO O=C(COc1ccc(Cl)cc1Br)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000012752046 195106276 /nfs/dbraw/zinc/10/62/76/195106276.db2.gz CWJIHROREMCHTJ-UHFFFAOYSA-N 1 1 453.764 3.630 50 0 JHAAMO Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)NCCC[NH+]3CCOCC3)cc12 ZINC000012754946 195108065 /nfs/dbraw/zinc/10/80/65/195108065.db2.gz WBXBFBYHZRHSMO-UHFFFAOYSA-N 1 1 452.502 3.866 50 0 JHAAMO Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N3CC[NH+](CCc4ccncc4)CC3)c(C)c21 ZINC000020759264 195217363 /nfs/dbraw/zinc/21/73/63/195217363.db2.gz GUNKDCKBZVCABR-UHFFFAOYSA-N 1 1 459.546 3.789 50 0 biogenic JHAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](Cc2ccc(-c4ccccc4C)cc2)CC3)o1 ZINC000020996131 195264556 /nfs/dbraw/zinc/26/45/56/195264556.db2.gz QGGIETQWXBIGIE-UHFFFAOYSA-N 1 1 485.588 3.981 50 0 JHAAMO CCOC(=O)C1CC[NH+]([C@@H](c2cccc(Cl)c2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000021097731 195275602 /nfs/dbraw/zinc/27/56/02/195275602.db2.gz YOWIICIJMHDWFM-QFIPXVFZSA-N 1 1 462.974 3.527 50 0 JHAAMO O=C1C[C@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CN1c1cccc(C(F)(F)F)c1 ZINC000021171549 195289468 /nfs/dbraw/zinc/28/94/68/195289468.db2.gz UXOOOPKTSNOKNF-KRWDZBQOSA-N 1 1 458.484 3.908 50 0 JHAAMO O=C1C[C@@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CN1c1ccccc1Br ZINC000021171604 195289589 /nfs/dbraw/zinc/28/95/89/195289589.db2.gz PCSPKGLXDBIGTK-QGZVFWFLSA-N 1 1 469.383 3.652 50 0 JHAAMO COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CC1=O ZINC000021523261 195303749 /nfs/dbraw/zinc/30/37/49/195303749.db2.gz RHEDIYNBHINHIE-KRWDZBQOSA-N 1 1 454.958 3.551 50 0 JHAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000096402882 130079255 /nfs/dbraw/zinc/07/92/55/130079255.db2.gz YLUQWJAHLLAJBJ-SQVYLTPJSA-N 1 1 451.526 3.888 50 0 JHAAMO CC(C)C[C@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)[NH+]1CCOCC1 ZINC000022611803 519351554 /nfs/dbraw/zinc/35/15/54/519351554.db2.gz RXLFLWKBZSBLFH-LJQANCHMSA-N 1 1 480.030 3.618 50 0 JHAAMO CC(C)OC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC1CC1 ZINC000036309651 519771657 /nfs/dbraw/zinc/77/16/57/519771657.db2.gz XPQDTYLTAXJNPG-URXFXBBRSA-N 1 1 490.641 3.890 50 0 JHAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](CCC(C)C)C[C@@H](O)CN1CCOCC1 ZINC000036248940 520936113 /nfs/dbraw/zinc/93/61/13/520936113.db2.gz BBCUTOFAZDPPSI-QHCPKHFHSA-N 1 1 458.647 3.729 50 0 JHAAMO CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCCC[NH+]4CCOCC4)c3)C2)cc1 ZINC000033035132 521086091 /nfs/dbraw/zinc/08/60/91/521086091.db2.gz VGTMHHLDEOULLT-DEOSSOPVSA-N 1 1 494.636 3.949 50 0 JHAAMO CCC[C@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036310158 521181698 /nfs/dbraw/zinc/18/16/98/521181698.db2.gz FZCWRTHGQAJSSU-REWPJTCUSA-N 1 1 478.630 3.892 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@@H](O)COC(C)C ZINC000036309300 521536867 /nfs/dbraw/zinc/53/68/67/521536867.db2.gz OEXLLJMPYCQSRZ-YKSBVNFPSA-N 1 1 490.666 3.759 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C[C@H](O)COC ZINC000036309287 521537841 /nfs/dbraw/zinc/53/78/41/521537841.db2.gz USIMAWVJMDFGEJ-RXVVDRJESA-N 1 1 467.031 3.626 50 0 JHAAMO CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([N@H+](C)Cc1csc(-c3cccs3)n1)C2 ZINC000014748852 521664397 /nfs/dbraw/zinc/66/43/97/521664397.db2.gz BSRARCDIQBLFHW-GOSISDBHSA-N 1 1 485.679 3.940 50 0 JHAAMO CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([N@@H+](C)Cc1csc(-c3cccs3)n1)C2 ZINC000014748852 521664401 /nfs/dbraw/zinc/66/44/01/521664401.db2.gz BSRARCDIQBLFHW-GOSISDBHSA-N 1 1 485.679 3.940 50 0 JHAAMO CCN1CC[NH+](CCc2nc3cc(NC(=O)c4cccc(Br)c4)ccc3n2C)CC1 ZINC000020503895 521684335 /nfs/dbraw/zinc/68/43/35/521684335.db2.gz GEQRVRTVRMRGPP-UHFFFAOYSA-N 1 1 470.415 3.768 50 0 JHAAMO CCC[N@@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@H](O)COCC(C)C ZINC000036206018 521694863 /nfs/dbraw/zinc/69/48/63/521694863.db2.gz ZDEDAGMSMCJLTC-SFHVURJKSA-N 1 1 489.638 3.914 50 0 JHAAMO CCC[N@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@H](O)COCC(C)C ZINC000036206018 521694869 /nfs/dbraw/zinc/69/48/69/521694869.db2.gz ZDEDAGMSMCJLTC-SFHVURJKSA-N 1 1 489.638 3.914 50 0 JHAAMO CCc1ccccc1O[C@@H]1C(=O)N(CCCC[NH+]2CCOCC2)[C@H]1c1cc(OC)ccc1OC ZINC000048237314 521924292 /nfs/dbraw/zinc/92/42/92/521924292.db2.gz ICJLJAQZPGMOQV-UIOOFZCWSA-N 1 1 468.594 3.710 50 0 JHAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1nccs1)CC[N@H+](CC[C@@H](C)c1ccc(C)o1)CC2 ZINC000014879428 522016093 /nfs/dbraw/zinc/01/60/93/522016093.db2.gz DSIPZCFDIZBJOL-QGZVFWFLSA-N 1 1 484.622 3.539 50 0 JHAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@H+](C3CCCCCC3)C2)nn1 ZINC000014960254 522328568 /nfs/dbraw/zinc/32/85/68/522328568.db2.gz RRALIOPLJVOTSK-CTNGQTDRSA-N 1 1 493.530 3.738 50 0 JHAAMO COc1cc(OC)cc([C@H]2[C@H](Oc3cc(C)ccc3C)C(=O)N2CCCC[NH+]2CCOCC2)c1 ZINC000048237027 522887204 /nfs/dbraw/zinc/88/72/04/522887204.db2.gz OSAZOKCTJUPATA-UIOOFZCWSA-N 1 1 468.594 3.764 50 0 JHAAMO COCc1c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cnn1-c1nccc(-c2cccs2)n1 ZINC000014984981 522899163 /nfs/dbraw/zinc/89/91/63/522899163.db2.gz BODLLJIMHFFOQW-FQEVSTJZSA-N 1 1 488.617 3.932 50 0 JHAAMO Cn1cc(CC[N@@H+](C)[C@@H]2CCc3c(sc4ncn(CCc5cccc(F)c5)c(=O)c34)C2)cn1 ZINC000014966844 522985120 /nfs/dbraw/zinc/98/51/20/522985120.db2.gz GJUUPPSGCFZJOX-HXUWFJFHSA-N 1 1 465.598 3.605 50 0 JHAAMO COC(=O)CC[C@H]1C[N@H+](Cc2cc(OC)ccc2OC)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000020362964 523120266 /nfs/dbraw/zinc/12/02/66/523120266.db2.gz DZZAHLIILBWCGT-SQJMNOBHSA-N 1 1 499.627 3.809 50 0 JHAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cc(OC)ccc2OC)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000020362964 523120280 /nfs/dbraw/zinc/12/02/80/523120280.db2.gz DZZAHLIILBWCGT-SQJMNOBHSA-N 1 1 499.627 3.809 50 0 JHAAMO CCn1c(C)cc(O)c([C@H](c2ccc(OC)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022696863 523141876 /nfs/dbraw/zinc/14/18/76/523141876.db2.gz YCDPSSQULKJQQA-VWLOTQADSA-N 1 1 451.542 3.942 50 0 JHAAMO COCCC[N@@H+](Cc1nc(=O)c2c(-c3ccc(C)cc3)csc2[nH]1)C[C@@H](O)COCC(C)C ZINC000036205660 523269715 /nfs/dbraw/zinc/26/97/15/523269715.db2.gz OWBOTXIJQUJBDO-HXUWFJFHSA-N 1 1 473.639 3.832 50 0 JHAAMO COCCC[N@H+](Cc1nc(=O)c2c(-c3ccc(C)cc3)csc2[nH]1)C[C@@H](O)COCC(C)C ZINC000036205660 523269724 /nfs/dbraw/zinc/26/97/24/523269724.db2.gz OWBOTXIJQUJBDO-HXUWFJFHSA-N 1 1 473.639 3.832 50 0 JHAAMO CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)ccc21 ZINC000014333969 523276332 /nfs/dbraw/zinc/27/63/32/523276332.db2.gz BVIWZKHWNYMUSK-VQTJNVASSA-N 1 1 462.594 3.712 50 0 JHAAMO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@@H]([NH+]1CCN(c3ccc(C(C)=O)cc3)CC1)C2 ZINC000014744193 523611096 /nfs/dbraw/zinc/61/10/96/523611096.db2.gz NFGVLDRVVDZOGN-XMMPIXPASA-N 1 1 489.620 3.650 50 0 JHAAMO CCc1c(C(=O)NCC2([NH+]3CCOCC3)CCCCCC2)c(=O)cc(C)n1Cc1ccccc1OC ZINC000014984835 523692516 /nfs/dbraw/zinc/69/25/16/523692516.db2.gz NOFVEXAKERQOTO-UHFFFAOYSA-N 1 1 495.664 3.931 50 0 JHAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)[C@@H]1c1cccs1 ZINC000020508226 523811028 /nfs/dbraw/zinc/81/10/28/523811028.db2.gz UMYKXZQDBKPUNF-YGOYIFOWSA-N 1 1 469.651 3.913 50 0 JHAAMO C[N@H+]1CCC[C@@H](C(=O)N2CCC([C@@H](Cc3ccccc3)N(C(=O)c3ccccn3)C3CC3)CC2)C1 ZINC000014986494 523813052 /nfs/dbraw/zinc/81/30/52/523813052.db2.gz MEQIRHFBNFIBOS-SHQCIBLASA-N 1 1 474.649 3.878 50 0 JHAAMO C[N@H+]1CCC[C@H](C(=O)N2CCC([C@@H](Cc3ccccc3)N(C(=O)c3ccccn3)C3CC3)CC2)C1 ZINC000014986495 523838347 /nfs/dbraw/zinc/83/83/47/523838347.db2.gz MEQIRHFBNFIBOS-RPLLCQBOSA-N 1 1 474.649 3.878 50 0 JHAAMO Cc1cccc(-c2nnc3ccc(N4CCC(C(=O)NCC[N@H+](C)C5CCCCC5)CC4)nn32)c1 ZINC000033260249 524128747 /nfs/dbraw/zinc/12/87/47/524128747.db2.gz WRRNEQZVDKJXPG-UHFFFAOYSA-N 1 1 475.641 3.697 50 0 JHAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)C2CCN(c3ccc4nnc(-c5ccc(Cl)cc5)n4n3)CC2)C1 ZINC000033260178 524223515 /nfs/dbraw/zinc/22/35/15/524223515.db2.gz SOIOSMCGULZIPJ-GOSISDBHSA-N 1 1 482.032 3.509 50 0 JHAAMO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022787485 524258806 /nfs/dbraw/zinc/25/88/06/524258806.db2.gz HJFVQGXFNHSVSF-FQEVSTJZSA-N 1 1 452.599 3.728 50 0 JHAAMO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022787485 524258812 /nfs/dbraw/zinc/25/88/12/524258812.db2.gz HJFVQGXFNHSVSF-FQEVSTJZSA-N 1 1 452.599 3.728 50 0 JHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)n2)cc1 ZINC000017053072 524712861 /nfs/dbraw/zinc/71/28/61/524712861.db2.gz CYTOWAQLUACDQG-UHFFFAOYSA-N 1 1 467.595 3.665 50 0 JHAAMO Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2C[C@H]3CCC[N@H+]3[C@@]23C(=O)Nc2ccccc23)CC1 ZINC000020512899 524732814 /nfs/dbraw/zinc/73/28/14/524732814.db2.gz QJWNJKHSANGATK-BNIKKZEQSA-N 1 1 464.997 3.629 50 0 biogenic JHAAMO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@@]23C(=O)Nc2c3cc(Cl)cc2C)c1 ZINC000015972443 524862042 /nfs/dbraw/zinc/86/20/42/524862042.db2.gz SMOKTNLPARAYGW-VRXSFPRUSA-N 1 1 455.942 3.936 50 0 JHAAMO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]3CCC[N@H+]3[C@@]23C(=O)Nc2c3cc(Cl)cc2C)c1 ZINC000015972443 524862052 /nfs/dbraw/zinc/86/20/52/524862052.db2.gz SMOKTNLPARAYGW-VRXSFPRUSA-N 1 1 455.942 3.936 50 0 JHAAMO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000016422531 524881150 /nfs/dbraw/zinc/88/11/50/524881150.db2.gz OFEVJMQQCKQXCL-MRXNPFEDSA-N 1 1 466.504 3.507 50 0 JHAAMO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000016422531 524881156 /nfs/dbraw/zinc/88/11/56/524881156.db2.gz OFEVJMQQCKQXCL-MRXNPFEDSA-N 1 1 466.504 3.507 50 0 JHAAMO COc1cccc(C(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(C)cc4)c3C2)c1 ZINC000034676643 525809062 /nfs/dbraw/zinc/80/90/62/525809062.db2.gz OCJWIKHTZMSBKF-UHFFFAOYSA-N 1 1 473.577 3.536 50 0 JHAAMO COc1cccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4cccc(F)c4)[nH]c(=O)c3C2)c1 ZINC000020467823 525954396 /nfs/dbraw/zinc/95/43/96/525954396.db2.gz IQQFAZKCBKCKQN-UHFFFAOYSA-N 1 1 454.527 3.619 50 0 JHAAMO COc1cccc(C[N@H+]2CCc3nc(SCC(=O)Nc4cccc(F)c4)[nH]c(=O)c3C2)c1 ZINC000020467823 525954401 /nfs/dbraw/zinc/95/44/01/525954401.db2.gz IQQFAZKCBKCKQN-UHFFFAOYSA-N 1 1 454.527 3.619 50 0 JHAAMO COc1cccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4cc(F)ccc4F)[nH]c(=O)c3C2)c1 ZINC000033331818 525955156 /nfs/dbraw/zinc/95/51/56/525955156.db2.gz BQEKUBJKOQBSHW-UHFFFAOYSA-N 1 1 472.517 3.758 50 0 JHAAMO COc1cccc(C[N@H+]2CCc3nc(SCC(=O)Nc4cc(F)ccc4F)[nH]c(=O)c3C2)c1 ZINC000033331818 525955164 /nfs/dbraw/zinc/95/51/64/525955164.db2.gz BQEKUBJKOQBSHW-UHFFFAOYSA-N 1 1 472.517 3.758 50 0 JHAAMO Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CC[NH+](Cc4cccs4)CC3)C2=O)cc1C ZINC000022792765 526053873 /nfs/dbraw/zinc/05/38/73/526053873.db2.gz CHHPESZNEZLRLX-MHZLTWQESA-N 1 1 474.630 3.936 50 0 JHAAMO Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000016050768 526156697 /nfs/dbraw/zinc/15/66/97/526156697.db2.gz JRUYNGDDVBGYTJ-UHFFFAOYSA-N 1 1 489.613 3.700 50 0 JHAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@@H+](Cc1ccccc1)CC2)NCc1ccco1 ZINC000035456542 527350939 /nfs/dbraw/zinc/35/09/39/527350939.db2.gz MQAUWSCWSGXFNC-UHFFFAOYSA-N 1 1 472.520 3.517 50 0 JHAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2)NCc1ccco1 ZINC000035456542 527350944 /nfs/dbraw/zinc/35/09/44/527350944.db2.gz MQAUWSCWSGXFNC-UHFFFAOYSA-N 1 1 472.520 3.517 50 0 JHAAMO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)Cn3cccc3C(=O)c3ccccc3)CC2)c1 ZINC000008912610 554802966 /nfs/dbraw/zinc/80/29/66/554802966.db2.gz SBWNJRKCQFOANF-UHFFFAOYSA-N 1 1 458.606 3.664 50 0 JHAAMO COc1ccccc1N1CCN(C2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)CC1 ZINC000009069001 554886012 /nfs/dbraw/zinc/88/60/12/554886012.db2.gz JSALYRNCFPKVML-UHFFFAOYSA-N 1 1 455.599 3.508 50 0 JHAAMO C[N@@H+](CCCNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21)Cc1ccccc1 ZINC000009276497 555048595 /nfs/dbraw/zinc/04/85/95/555048595.db2.gz GADPVRNFLAJRNI-UHFFFAOYSA-N 1 1 496.677 3.844 50 0 JHAAMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009491264 555268545 /nfs/dbraw/zinc/26/85/45/555268545.db2.gz VSEWDSQXTOVPMY-UHFFFAOYSA-N 1 1 485.650 3.763 50 0 JHAAMO CC(C)[N@@H+](CCCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)C1CCCCC1 ZINC000009530026 555324592 /nfs/dbraw/zinc/32/45/92/555324592.db2.gz NDOBEIZYIGFNAP-YADHBBJMSA-N 1 1 492.711 3.530 50 0 JHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000013163822 555362788 /nfs/dbraw/zinc/36/27/88/555362788.db2.gz SBYALTGRAYMMEY-UHFFFAOYSA-N 1 1 459.594 3.758 50 0 JHAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1ccc(F)cc1 ZINC000009835541 555540374 /nfs/dbraw/zinc/54/03/74/555540374.db2.gz PROMUXVWVGRHOH-JWQCQUIFSA-N 1 1 469.601 3.991 50 0 JHAAMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 ZINC000013683092 555576529 /nfs/dbraw/zinc/57/65/29/555576529.db2.gz RTDJLXKLTQREPW-UHFFFAOYSA-N 1 1 467.591 3.981 50 0 JHAAMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 ZINC000013683092 555576532 /nfs/dbraw/zinc/57/65/32/555576532.db2.gz RTDJLXKLTQREPW-UHFFFAOYSA-N 1 1 467.591 3.981 50 0 JHAAMO Cn1ccnc1SCCNC(=O)CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000020167022 555677691 /nfs/dbraw/zinc/67/76/91/555677691.db2.gz MUXVANUFWOTFCQ-JOCHJYFZSA-N 1 1 454.571 3.794 50 0 JHAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1nnc(Cc2ccc(Cl)cc2Cl)o1 ZINC000020177274 555682865 /nfs/dbraw/zinc/68/28/65/555682865.db2.gz BEYJZQHCYAWILG-UHFFFAOYSA-N 1 1 488.419 3.905 50 0 JHAAMO O=C(CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21)NCCC[NH+]1CCOCC1 ZINC000020181342 555688274 /nfs/dbraw/zinc/68/82/74/555688274.db2.gz RAWVNVNWMKWUDV-CJLVFECKSA-N 1 1 472.010 3.658 50 0 JHAAMO O=C(Nc1cccc(-c2nc3ccccc3s2)c1)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000014115402 555691827 /nfs/dbraw/zinc/69/18/27/555691827.db2.gz RDVPQMYHYZXGCG-LJQANCHMSA-N 1 1 455.605 3.801 50 0 JHAAMO C[C@@H](NC(=O)C(=O)NCc1ccc(F)cc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288237 555757070 /nfs/dbraw/zinc/75/70/70/555757070.db2.gz RFMXXIXQSQWYGV-NTKDMRAZSA-N 1 1 480.609 3.572 50 0 JHAAMO CN1CC[NH+](CCCNC(=O)CCCn2nc(-c3ccccc3)c3cc(Cl)ccc32)CC1 ZINC000020355670 555784491 /nfs/dbraw/zinc/78/44/91/555784491.db2.gz ULLBQWCFBIFOKO-UHFFFAOYSA-N 1 1 454.018 3.891 50 0 JHAAMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(NC[C@H]3CC=CCC3)cc(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000014539575 555829306 /nfs/dbraw/zinc/82/93/06/555829306.db2.gz FKMZUGRADZPTIS-VQTJNVASSA-N 1 1 476.687 3.603 50 0 JHAAMO COc1ccc(C[N@@H+]2CCc3c(c(C(=O)N(C)Cc4cscn4)nn3CC3CC3)C2)cc1 ZINC000014539746 555829702 /nfs/dbraw/zinc/82/97/02/555829702.db2.gz WXTNGAKZFLUALR-UHFFFAOYSA-N 1 1 451.596 3.589 50 0 JHAAMO COc1ccc(C[N@H+]2CCc3c(c(C(=O)N(C)Cc4cscn4)nn3CC3CC3)C2)cc1 ZINC000014539746 555829704 /nfs/dbraw/zinc/82/97/04/555829704.db2.gz WXTNGAKZFLUALR-UHFFFAOYSA-N 1 1 451.596 3.589 50 0 JHAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccc(OCCO)cc2)CCO3)C1 ZINC000011871377 555846635 /nfs/dbraw/zinc/84/66/35/555846635.db2.gz VNYNZYKOTWFTQL-VWLOTQADSA-N 1 1 495.664 3.533 50 0 JHAAMO CCc1c(C(=O)N2CCN(c3ccc(C)cc3C)CC2)c(=O)cc(C)n1C[C@@H]1CCC[N@@H+]1CC ZINC000015072836 555871575 /nfs/dbraw/zinc/87/15/75/555871575.db2.gz MBNBJCSDLUZFGU-QHCPKHFHSA-N 1 1 464.654 3.783 50 0 JHAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@@H+](CC3CCCCC3)C2)nn1 ZINC000015072608 555871623 /nfs/dbraw/zinc/87/16/23/555871623.db2.gz JROHFOLLKDUPAV-CTNGQTDRSA-N 1 1 493.530 3.596 50 0 JHAAMO CCOc1ccc2nc(N3CCC[N@@H+](Cc4cc5c(c(OC)c4)OCO5)CC3)nc(C)c2c1 ZINC000011998203 555880780 /nfs/dbraw/zinc/88/07/80/555880780.db2.gz NYNMYBSWKGDXSC-UHFFFAOYSA-N 1 1 450.539 3.787 50 0 JHAAMO CC[N@H+](Cc1ccc(Br)s1)Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000022241495 555895501 /nfs/dbraw/zinc/89/55/01/555895501.db2.gz ZQNMCIYNAOQCST-UHFFFAOYSA-N 1 1 459.431 3.554 50 0 JHAAMO CC[N@@H+](Cc1ccc(Br)s1)Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000022241495 555895504 /nfs/dbraw/zinc/89/55/04/555895504.db2.gz ZQNMCIYNAOQCST-UHFFFAOYSA-N 1 1 459.431 3.554 50 0 JHAAMO C[C@H]1Cc2cc(C(=O)Nc3nc(C[NH+]4C[C@H](C)C[C@@H](C)C4)cs3)ccc2N1S(C)(=O)=O ZINC000022294996 555918221 /nfs/dbraw/zinc/91/82/21/555918221.db2.gz REPVYWFLCNTWKW-OAGGEKHMSA-N 1 1 462.641 3.584 50 0 JHAAMO Cn1ccnc1C[N@H+](C)[C@H]1CCc2c(sc3ncn(Cc4ccccc4Cl)c(=O)c23)C1 ZINC000012241579 555945293 /nfs/dbraw/zinc/94/52/93/555945293.db2.gz JGSNTBLNUJMZLN-INIZCTEOSA-N 1 1 453.999 3.883 50 0 JHAAMO Cn1ccnc1C[N@@H+](C)[C@H]1CCc2c(sc3ncn(Cc4ccccc4Cl)c(=O)c23)C1 ZINC000012241579 555945295 /nfs/dbraw/zinc/94/52/95/555945295.db2.gz JGSNTBLNUJMZLN-INIZCTEOSA-N 1 1 453.999 3.883 50 0 JHAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1)Nc1ccc(Cl)cc1F ZINC000022934231 555986956 /nfs/dbraw/zinc/98/69/56/555986956.db2.gz WXZDBZIOQVWOBS-UHFFFAOYSA-N 1 1 453.345 3.717 50 0 JHAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)c2c1C ZINC000012533925 556006149 /nfs/dbraw/zinc/00/61/49/556006149.db2.gz UDRPZERUTZFTFS-UHFFFAOYSA-N 1 1 494.665 3.815 50 0 JHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cn(C(C)C)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 ZINC000023108696 556009484 /nfs/dbraw/zinc/00/94/84/556009484.db2.gz CTLSBRLJHJBWBR-UHFFFAOYSA-N 1 1 469.589 3.986 50 0 JHAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2cc(Br)ccc2OC(F)F)N1)OCCCO4 ZINC000012549556 556029554 /nfs/dbraw/zinc/02/95/54/556029554.db2.gz GQCWKJHHLAFNIY-INIZCTEOSA-N 1 1 480.269 3.658 50 0 JHAAMO CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)cc2)cc1 ZINC000015933597 556071464 /nfs/dbraw/zinc/07/14/64/556071464.db2.gz QHMFMPDGFFEMJS-OAQYLSRUSA-N 1 1 457.552 3.512 50 0 JHAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016039278 556121207 /nfs/dbraw/zinc/12/12/07/556121207.db2.gz DIOPPPGRVLPSFK-KEZOAJOQSA-N 1 1 453.473 3.980 50 0 JHAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016039278 556121208 /nfs/dbraw/zinc/12/12/08/556121208.db2.gz DIOPPPGRVLPSFK-KEZOAJOQSA-N 1 1 453.473 3.980 50 0 JHAAMO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccc(I)cc1 ZINC000012975592 556167884 /nfs/dbraw/zinc/16/78/84/556167884.db2.gz VNRVNNVVLJYSQC-HNNXBMFYSA-N 1 1 463.319 3.580 50 0 JHAAMO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccc(I)cc1 ZINC000012975592 556167886 /nfs/dbraw/zinc/16/78/86/556167886.db2.gz VNRVNNVVLJYSQC-HNNXBMFYSA-N 1 1 463.319 3.580 50 0 JHAAMO COc1ccc(-c2noc(CCC(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)n2)cc1OC ZINC000024988999 556170416 /nfs/dbraw/zinc/17/04/16/556170416.db2.gz HURYODVXXIMVFO-GOSISDBHSA-N 1 1 458.946 3.759 50 0 JHAAMO CC(C)(CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000025463641 556217380 /nfs/dbraw/zinc/21/73/80/556217380.db2.gz UFPRXEXAIWAYCA-XDJHFCHBSA-N 1 1 481.662 3.652 50 0 JHAAMO C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025719152 556231472 /nfs/dbraw/zinc/23/14/72/556231472.db2.gz TUIFSVQKXUOFKL-QFIPXVFZSA-N 1 1 481.600 3.872 50 0 JHAAMO C[N@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)Cc1ccccc1 ZINC000013038867 556238157 /nfs/dbraw/zinc/23/81/57/556238157.db2.gz IMLXZOQWWAWPMZ-UHFFFAOYSA-N 1 1 450.004 3.975 50 0 JHAAMO C[N@@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)Cc1ccccc1 ZINC000013038867 556238159 /nfs/dbraw/zinc/23/81/59/556238159.db2.gz IMLXZOQWWAWPMZ-UHFFFAOYSA-N 1 1 450.004 3.975 50 0 JHAAMO CCOC(=O)C1CC[NH+]([C@@H](c2ccncc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000017296984 556252484 /nfs/dbraw/zinc/25/24/84/556252484.db2.gz REMCVFDMBHKOHN-VWLOTQADSA-N 1 1 461.562 3.670 50 0 JHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000013101795 556302666 /nfs/dbraw/zinc/30/26/66/556302666.db2.gz LLVXCUCUSSUXJG-GOSISDBHSA-N 1 1 473.455 3.833 50 0 JHAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000013101795 556302671 /nfs/dbraw/zinc/30/26/71/556302671.db2.gz LLVXCUCUSSUXJG-GOSISDBHSA-N 1 1 473.455 3.833 50 0 JHAAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000013127330 556343166 /nfs/dbraw/zinc/34/31/66/556343166.db2.gz LOVROWIWEOQKTA-UHFFFAOYSA-N 1 1 485.650 3.667 50 0 JHAAMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2N2CCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000029154708 556348084 /nfs/dbraw/zinc/34/80/84/556348084.db2.gz XIPKVFUTCWZNCT-OAQYLSRUSA-N 1 1 461.610 3.934 50 0 JHAAMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2N2CCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000029154708 556348086 /nfs/dbraw/zinc/34/80/86/556348086.db2.gz XIPKVFUTCWZNCT-OAQYLSRUSA-N 1 1 461.610 3.934 50 0 JHAAMO C[N@H+](CC(=O)N1CCN(c2ccccn2)CC1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000013128609 556348297 /nfs/dbraw/zinc/34/82/97/556348297.db2.gz YEPZBFAZMDXKLD-UHFFFAOYSA-N 1 1 466.589 3.715 50 0 JHAAMO C[N@@H+](CC(=O)N1CCN(c2ccccn2)CC1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000013128609 556348300 /nfs/dbraw/zinc/34/83/00/556348300.db2.gz YEPZBFAZMDXKLD-UHFFFAOYSA-N 1 1 466.589 3.715 50 0 JHAAMO O=C([C@H]1CCCN(c2cnccn2)C1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030181043 556364071 /nfs/dbraw/zinc/36/40/71/556364071.db2.gz FCRXUUUAIXIYGP-FQEVSTJZSA-N 1 1 465.598 3.905 50 0 JHAAMO COCCn1c(C)cc(O)c([C@H](c2cccc(F)c2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000008611831 562947739 /nfs/dbraw/zinc/94/77/39/562947739.db2.gz UGYXDZBHDWRJGO-VWLOTQADSA-N 1 1 451.542 3.559 50 0 JHAAMO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000032987892 569609679 /nfs/dbraw/zinc/60/96/79/569609679.db2.gz XHCIKQKORDFTFQ-NDDJGDGRSA-N 1 1 463.409 3.883 50 0 JHAAMO O=C(c1cccs1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccccc32)[C@@]12C(=O)Nc1ccccc12 ZINC000061999366 569610061 /nfs/dbraw/zinc/61/00/61/569610061.db2.gz ZWUYRCJPMLQNLI-JDBHKMHASA-N 1 1 455.539 3.763 50 0 biogenic JHAAMO O=C(c1cccs1)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccccc32)[C@@]12C(=O)Nc1ccccc12 ZINC000061999366 569610062 /nfs/dbraw/zinc/61/00/62/569610062.db2.gz ZWUYRCJPMLQNLI-JDBHKMHASA-N 1 1 455.539 3.763 50 0 biogenic JHAAMO Cc1ccc(Cn2c3ccccc3nc(SCC(=O)NCC[N@@H+]3CCCC[C@@H]3C)c2=O)cc1 ZINC000033006837 569614924 /nfs/dbraw/zinc/61/49/24/569614924.db2.gz CUYYCXNCEHXSGS-FQEVSTJZSA-N 1 1 464.635 3.836 50 0 JHAAMO COc1ccc(CN2C(=O)c3cccc(N4CC[NH+](Cc5ccc(F)cc5)CC4)c3C2=O)cc1 ZINC000064120831 569616406 /nfs/dbraw/zinc/61/64/06/569616406.db2.gz YYUJJXUEUDZBFI-UHFFFAOYSA-N 1 1 459.521 3.953 50 0 JHAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]12 ZINC000033428992 569626235 /nfs/dbraw/zinc/62/62/35/569626235.db2.gz WCLPROWZLCLCAL-JTHBVZDNSA-N 1 1 453.384 3.843 50 0 JHAAMO CCOc1ccccc1NC(=O)c1cnn2c1n(CC)c1c(c2=O)C[N@H+](Cc2ccccc2)CC1 ZINC000064835950 569636452 /nfs/dbraw/zinc/63/64/52/569636452.db2.gz BOAIWHDSLYWIHF-UHFFFAOYSA-N 1 1 471.561 3.725 50 0 JHAAMO CCn1c2c(C(=O)NCc3ccc(Cl)cc3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835892 569636619 /nfs/dbraw/zinc/63/66/19/569636619.db2.gz LNEOTPGINYKMAM-UHFFFAOYSA-N 1 1 475.980 3.658 50 0 JHAAMO CCn1c2c(C(=O)NCc3cccc(Cl)c3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835989 569636803 /nfs/dbraw/zinc/63/68/03/569636803.db2.gz VEZSEAQJVVGIPC-UHFFFAOYSA-N 1 1 475.980 3.658 50 0 JHAAMO COc1ccc(N(C(C)=O)C2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)cc1OC ZINC000034683243 569644325 /nfs/dbraw/zinc/64/43/25/569644325.db2.gz DLCTUAHKZNXEJE-UHFFFAOYSA-N 1 1 458.555 3.747 50 0 JHAAMO Cc1ccccc1S(=O)(=O)N(c1ccc2c(c1)OCO2)C1CC[NH+](Cc2cccnc2)CC1 ZINC000034683988 569644802 /nfs/dbraw/zinc/64/48/02/569644802.db2.gz JZNPUDQQMPBMGI-UHFFFAOYSA-N 1 1 465.575 3.979 50 0 JHAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034685934 569645178 /nfs/dbraw/zinc/64/51/78/569645178.db2.gz MUJMBLUUEHMLOI-IBGZPJMESA-N 1 1 452.357 3.796 50 0 JHAAMO COCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](Oc1ccccc1)C(=O)NCc1ccccc1 ZINC000034708042 569650277 /nfs/dbraw/zinc/65/02/77/569650277.db2.gz JOEPIEHSHWGZIP-MHZLTWQESA-N 1 1 478.589 3.916 50 0 JHAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000034927803 569673185 /nfs/dbraw/zinc/67/31/85/569673185.db2.gz JRUBFUQPXWCDQC-WUFINQPMSA-N 1 1 483.612 3.958 50 0 JHAAMO CCn1c2ccccc2nc(SCC(=O)NCCC[N@H+]2CCN(c3cccc(C)c3)[C@H](C)C2)c1=O ZINC000035212219 569678254 /nfs/dbraw/zinc/67/82/54/569678254.db2.gz YMHXDSLIJXGCLH-OAQYLSRUSA-N 1 1 493.677 3.534 50 0 JHAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1Cc1ccccc1 ZINC000035561406 569704456 /nfs/dbraw/zinc/70/44/56/569704456.db2.gz NLJZXWGSDIUTGH-FQEVSTJZSA-N 1 1 482.650 3.544 50 0 JHAAMO COc1ccc(COC[C@H](O)C[NH+]2CCN([C@H](C)c3nc4ccccc4s3)CC2)cc1OC ZINC000084667954 569709599 /nfs/dbraw/zinc/70/95/99/569709599.db2.gz VFVVBZGRMUSNBO-UYAOXDASSA-N 1 1 471.623 3.570 50 0 JHAAMO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NCc2ccccc2)cc(OC)c1OC ZINC000035828023 569712615 /nfs/dbraw/zinc/71/26/15/569712615.db2.gz SGGYYSCWAPCMGF-RMXYQJDTSA-N 1 1 468.594 3.697 50 0 JHAAMO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NCc2ccccc2)cc(OC)c1OC ZINC000035828023 569712616 /nfs/dbraw/zinc/71/26/16/569712616.db2.gz SGGYYSCWAPCMGF-RMXYQJDTSA-N 1 1 468.594 3.697 50 0 JHAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C12CCCC2 ZINC000085879056 569716333 /nfs/dbraw/zinc/71/63/33/569716333.db2.gz ODHLAEZTVHTILR-ZTCOLXNVSA-N 1 1 453.627 3.566 50 0 biogenic JHAAMO COc1ccc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)cc1OC ZINC000085879924 569716495 /nfs/dbraw/zinc/71/64/95/569716495.db2.gz BBXMNBDITQLYIW-RBBKRZOGSA-N 1 1 451.567 3.950 50 0 biogenic JHAAMO COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N3CC[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000035870524 569718384 /nfs/dbraw/zinc/71/83/84/569718384.db2.gz KEERVWJSZWWNPK-XTEPFMGCSA-N 1 1 455.602 3.917 50 0 JHAAMO O=C([C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12)N1CCOCC1 ZINC000035871972 569719107 /nfs/dbraw/zinc/71/91/07/569719107.db2.gz ODVJQTXJJXDETI-GMAHTHKFSA-N 1 1 477.502 3.566 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(C)n2-c2ccccc2OC)CC1 ZINC000095925486 569730161 /nfs/dbraw/zinc/73/01/61/569730161.db2.gz RBVFBKQTTTVEJF-UHFFFAOYSA-N 1 1 451.596 3.654 50 0 JHAAMO CCCCCCOc1ccc(N2C(=O)C[C@H](N3CC[NH+](CCc4ccncc4)CC3)C2=O)cc1 ZINC000100204142 569755266 /nfs/dbraw/zinc/75/52/66/569755266.db2.gz ZCHLGGSUCJGSPV-VWLOTQADSA-N 1 1 464.610 3.533 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036341244 569764401 /nfs/dbraw/zinc/76/44/01/569764401.db2.gz UHUBPDDJXPSNHE-OFVILXPXSA-N 1 1 479.577 3.657 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036341244 569764402 /nfs/dbraw/zinc/76/44/02/569764402.db2.gz UHUBPDDJXPSNHE-OFVILXPXSA-N 1 1 479.577 3.657 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3F)C[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000036341833 569764928 /nfs/dbraw/zinc/76/49/28/569764928.db2.gz PZWCFFWQOUZAAI-GCJKJVERSA-N 1 1 481.524 3.507 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3F)C[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000036341833 569764929 /nfs/dbraw/zinc/76/49/29/569764929.db2.gz PZWCFFWQOUZAAI-GCJKJVERSA-N 1 1 481.524 3.507 50 0 JHAAMO COc1cccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000036343126 569766191 /nfs/dbraw/zinc/76/61/91/569766191.db2.gz GXXRNJIUHXWJRO-VWLOTQADSA-N 1 1 463.578 3.829 50 0 JHAAMO CCOC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346007 569768894 /nfs/dbraw/zinc/76/88/94/569768894.db2.gz RWLNYLMBCDLEGE-OAQYLSRUSA-N 1 1 457.546 3.958 50 0 JHAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346007 569768896 /nfs/dbraw/zinc/76/88/96/569768896.db2.gz RWLNYLMBCDLEGE-OAQYLSRUSA-N 1 1 457.546 3.958 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101344279 569793861 /nfs/dbraw/zinc/79/38/61/569793861.db2.gz LVJRPHZSTWKCLS-ZHSNQQFMSA-N 1 1 456.329 3.733 50 0 JHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344279 569793862 /nfs/dbraw/zinc/79/38/62/569793862.db2.gz LVJRPHZSTWKCLS-ZHSNQQFMSA-N 1 1 456.329 3.733 50 0 JHAAMO O=C(NCc1ccccc1)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(SC(F)F)cc3)C2=O)CC1 ZINC000101490787 569799660 /nfs/dbraw/zinc/79/96/60/569799660.db2.gz NNXASSFCEKIANI-FQEVSTJZSA-N 1 1 473.545 3.662 50 0 JHAAMO O=C(Nc1ccccc1)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(SC(F)F)cc3)C2=O)CC1 ZINC000101490907 569799838 /nfs/dbraw/zinc/79/98/38/569799838.db2.gz QUPXITLHPPNDFJ-LJQANCHMSA-N 1 1 459.518 3.984 50 0 JHAAMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000040025010 569814313 /nfs/dbraw/zinc/81/43/13/569814313.db2.gz RSASVGFURAZDDS-UHFFFAOYSA-N 1 1 487.398 3.549 50 0 JHAAMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000040025010 569814314 /nfs/dbraw/zinc/81/43/14/569814314.db2.gz RSASVGFURAZDDS-UHFFFAOYSA-N 1 1 487.398 3.549 50 0 JHAAMO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1S(=O)(=O)N(C)C ZINC000040135395 569817408 /nfs/dbraw/zinc/81/74/08/569817408.db2.gz RXZAXHCDYAUQDV-IBGZPJMESA-N 1 1 454.596 3.545 50 0 JHAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104983794 569848201 /nfs/dbraw/zinc/84/82/01/569848201.db2.gz VNUJBUXDHUWIGF-FCHUYYIVSA-N 1 1 458.530 3.583 50 0 JHAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104984568 569848562 /nfs/dbraw/zinc/84/85/62/569848562.db2.gz KEEMXKDPOHMTFI-WOJBJXKFSA-N 1 1 460.958 3.850 50 0 JHAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104984568 569848563 /nfs/dbraw/zinc/84/85/63/569848563.db2.gz KEEMXKDPOHMTFI-WOJBJXKFSA-N 1 1 460.958 3.850 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccccc2C)C1 ZINC000105010915 569850883 /nfs/dbraw/zinc/85/08/83/569850883.db2.gz RGLLQHAESOKANV-CJFMBICVSA-N 1 1 493.604 3.965 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccccc2C)C1 ZINC000105010915 569850884 /nfs/dbraw/zinc/85/08/84/569850884.db2.gz RGLLQHAESOKANV-CJFMBICVSA-N 1 1 493.604 3.965 50 0 JHAAMO COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CC[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000169677123 569868466 /nfs/dbraw/zinc/86/84/66/569868466.db2.gz KEERVWJSZWWNPK-IAPPQJPRSA-N 1 1 455.602 3.917 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C[C@@H](O)COC ZINC000169681680 569870790 /nfs/dbraw/zinc/87/07/90/569870790.db2.gz USIMAWVJMDFGEJ-WIYYLYMNSA-N 1 1 467.031 3.626 50 0 JHAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@H]3C2=O)c(Br)c1 ZINC000248333369 570077778 /nfs/dbraw/zinc/07/77/78/570077778.db2.gz JYFFTTFOFVNVQH-TXNPELCJSA-N 1 1 494.389 3.806 50 0 JHAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000249691155 570078593 /nfs/dbraw/zinc/07/85/93/570078593.db2.gz LFDIDPHFTVIRKW-CDSYHYPYSA-N 1 1 470.356 3.839 50 0 JHAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000249693986 570078662 /nfs/dbraw/zinc/07/86/62/570078662.db2.gz OOGVVLACMFNPTO-XHOYROJHSA-N 1 1 470.356 3.839 50 0 JHAAMO O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253399563 570096404 /nfs/dbraw/zinc/09/64/04/570096404.db2.gz DBJKSNRMMNNQOH-RQADYFSKSA-N 1 1 472.589 3.572 50 0 biogenic JHAAMO C[N@H+](CCNC(=O)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1)CCc1ccccc1 ZINC000003057315 194221486 /nfs/dbraw/zinc/22/14/86/194221486.db2.gz HWIXIZOUQKYQEJ-UHFFFAOYSA-N 1 1 475.010 3.952 50 0 JHAAMO C[N@@H+](CCNC(=O)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1)CCc1ccccc1 ZINC000003057315 194221489 /nfs/dbraw/zinc/22/14/89/194221489.db2.gz HWIXIZOUQKYQEJ-UHFFFAOYSA-N 1 1 475.010 3.952 50 0 JHAAMO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCc4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000009933899 195026085 /nfs/dbraw/zinc/02/60/85/195026085.db2.gz WBSPKXSSWKJGHI-XMMPIXPASA-N 1 1 464.562 3.849 50 0 JHAAMO Cc1cc(=O)c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)nn1-c1cccc(C(F)(F)F)c1 ZINC000012677925 195083226 /nfs/dbraw/zinc/08/32/26/195083226.db2.gz LMTCGNKOUCFVMH-GOSISDBHSA-N 1 1 460.456 3.720 50 0 JHAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)CC1 ZINC000012750581 195105536 /nfs/dbraw/zinc/10/55/36/195105536.db2.gz COPPMXIHTGQGGM-KRWDZBQOSA-N 1 1 482.675 3.871 50 0 JHAAMO CC1(C)CC(=O)N(CCCC[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C(=O)C1 ZINC000012856795 195157994 /nfs/dbraw/zinc/15/79/94/195157994.db2.gz XQJQQZOHWULRLW-UHFFFAOYSA-N 1 1 460.928 3.831 50 0 JHAAMO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000020760202 195217659 /nfs/dbraw/zinc/21/76/59/195217659.db2.gz XDVGEPILKNMMNB-RFFSZZMTSA-N 1 1 490.563 3.766 50 0 biogenic JHAAMO C[C@H](NC(=O)c1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)[nH]c1=O)c1cccs1 ZINC000020783412 195224977 /nfs/dbraw/zinc/22/49/77/195224977.db2.gz CXCBTGBUHZODFU-MRSBXDGLSA-N 1 1 462.619 3.758 50 0 JHAAMO CCc1ccc(C[N@H+]2CCc3c(C(=O)OC)c(OCCCc4ccccc4)cc(=O)n3CC2)o1 ZINC000020786091 195225525 /nfs/dbraw/zinc/22/55/25/195225525.db2.gz WTNBXJZUDAGFAH-UHFFFAOYSA-N 1 1 464.562 3.860 50 0 JHAAMO CCc1ccc(C[N@@H+]2CCc3c(C(=O)OC)c(OCCCc4ccccc4)cc(=O)n3CC2)o1 ZINC000020786091 195225527 /nfs/dbraw/zinc/22/55/27/195225527.db2.gz WTNBXJZUDAGFAH-UHFFFAOYSA-N 1 1 464.562 3.860 50 0 JHAAMO C[N@@H+](C[C@H]1CCCO1)C1CCN(C(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC000021917473 195332594 /nfs/dbraw/zinc/33/25/94/195332594.db2.gz GYRSVJPYERSILE-OAQYLSRUSA-N 1 1 469.655 3.523 50 0 JHAAMO CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCC[N@@H+](C)Cc4ccccc4)C3)ccc21 ZINC000021938089 195337659 /nfs/dbraw/zinc/33/76/59/195337659.db2.gz NBDFPIPAZZHZKS-DEOSSOPVSA-N 1 1 496.677 3.700 50 0 JHAAMO CCCCCCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC000058156947 195367408 /nfs/dbraw/zinc/36/74/08/195367408.db2.gz BAASROWWYGPPRP-FQEVSTJZSA-N 1 1 460.022 3.932 50 0 JHAAMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC000058156947 195367410 /nfs/dbraw/zinc/36/74/10/195367410.db2.gz BAASROWWYGPPRP-FQEVSTJZSA-N 1 1 460.022 3.932 50 0 JHAAMO CCn1c(C[N@@H+](C)[C@H]2CCCc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000058170551 195370961 /nfs/dbraw/zinc/37/09/61/195370961.db2.gz ZHDXFQOIIIIPLP-QHCPKHFHSA-N 1 1 468.623 3.587 50 0 JHAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000020463786 518593655 /nfs/dbraw/zinc/59/36/55/518593655.db2.gz HSCWGSTVJAMWGR-AFXVXQJMSA-N 1 1 458.514 3.588 50 0 JHAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000020463786 518593658 /nfs/dbraw/zinc/59/36/58/518593658.db2.gz HSCWGSTVJAMWGR-AFXVXQJMSA-N 1 1 458.514 3.588 50 0 JHAAMO CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCC[NH+]4CCOCC4)CC3)cc2)cc1 ZINC000033115438 519443383 /nfs/dbraw/zinc/44/33/83/519443383.db2.gz GBNSTFZLCDCIMP-UHFFFAOYSA-N 1 1 499.677 3.556 50 0 JHAAMO CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000021650478 519702097 /nfs/dbraw/zinc/70/20/97/519702097.db2.gz AWUSTGVAOHLDAT-HXUWFJFHSA-N 1 1 480.657 3.736 50 0 JHAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@H](O)COC(C)C ZINC000036309299 521536728 /nfs/dbraw/zinc/53/67/28/521536728.db2.gz OEXLLJMPYCQSRZ-RDPSFJRHSA-N 1 1 490.666 3.759 50 0 JHAAMO CCOc1cnn(-c2ccc(Cl)cc2)c(=O)c1Nc1cccc(C(=O)N2CC[NH+](CC)CC2)c1 ZINC000036063710 521599977 /nfs/dbraw/zinc/59/99/77/521599977.db2.gz HHRWZXYFQXJFCE-UHFFFAOYSA-N 1 1 481.984 3.806 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccc(OCc3nnc(C(=O)Nc4cccc(Cl)c4)s3)cc2)CC1 ZINC000033114256 521669994 /nfs/dbraw/zinc/66/99/94/521669994.db2.gz WTXOWOOAVIMPDX-UHFFFAOYSA-N 1 1 485.997 3.801 50 0 JHAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H](O)COCc1ccccc1 ZINC000036151014 521679381 /nfs/dbraw/zinc/67/93/81/521679381.db2.gz XSIKBNCWALNVTE-XMMPIXPASA-N 1 1 465.594 3.968 50 0 JHAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc4c(c3)nc3n(c4=O)CCCCC3)cc2)CC1 ZINC000020414543 521689287 /nfs/dbraw/zinc/68/92/87/521689287.db2.gz YRJMYEOAQLFZJA-UHFFFAOYSA-N 1 1 459.594 3.513 50 0 JHAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)sc2C1 ZINC000022699002 521725153 /nfs/dbraw/zinc/72/51/53/521725153.db2.gz VQVWXIJUUOPBTR-UHFFFAOYSA-N 1 1 470.620 3.594 50 0 JHAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)sc2C1 ZINC000022699002 521725154 /nfs/dbraw/zinc/72/51/54/521725154.db2.gz VQVWXIJUUOPBTR-UHFFFAOYSA-N 1 1 470.620 3.594 50 0 JHAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2C1 ZINC000021881895 521725285 /nfs/dbraw/zinc/72/52/85/521725285.db2.gz SYLKJLGJOSOMQX-UHFFFAOYSA-N 1 1 482.631 3.520 50 0 JHAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2C1 ZINC000021881895 521725286 /nfs/dbraw/zinc/72/52/86/521725286.db2.gz SYLKJLGJOSOMQX-UHFFFAOYSA-N 1 1 482.631 3.520 50 0 JHAAMO COC(=O)c1cc(S(=O)(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c(Br)s1 ZINC000048290355 521905718 /nfs/dbraw/zinc/90/57/18/521905718.db2.gz HEXOIVDCVZSYOS-UHFFFAOYSA-N 1 1 479.462 3.574 50 0 JHAAMO COc1cc(-c2noc(CC[N@H+](Cc3ccccc3)C[C@H](O)COC(C)C)n2)cc(OC)c1OC ZINC000036154783 521914838 /nfs/dbraw/zinc/91/48/38/521914838.db2.gz OHZIIYLPDOCOOH-NRFANRHFSA-N 1 1 485.581 3.593 50 0 JHAAMO COC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCc4cc(F)cc(F)c4)CC3)C2=O)cc1 ZINC000013838579 522078517 /nfs/dbraw/zinc/07/85/17/522078517.db2.gz KLMJYEGMLWLSND-QFIPXVFZSA-N 1 1 456.489 3.728 50 0 JHAAMO COC(=O)c1ccc2c(c1)nc(N1CC[NH+](Cc3ccccc3)CC1)n(-c1cccc(C)c1)c2=O ZINC000049006445 522184097 /nfs/dbraw/zinc/18/40/97/522184097.db2.gz QRLICELTNMLQQC-UHFFFAOYSA-N 1 1 468.557 3.803 50 0 JHAAMO COC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(C)C ZINC000036309278 522785315 /nfs/dbraw/zinc/78/53/15/522785315.db2.gz REJLJNWXAGPBGD-NQIIRXRSSA-N 1 1 467.031 3.624 50 0 JHAAMO COc1cc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)cc(OC)c1OC ZINC000009291074 522931726 /nfs/dbraw/zinc/93/17/26/522931726.db2.gz HYFJQHJCUXPUEQ-ZEQRLZLVSA-N 1 1 469.501 3.912 50 0 JHAAMO COc1ccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3c(n[nH]c3-c3ccccc3)n2)cc1 ZINC000033269497 523095693 /nfs/dbraw/zinc/09/56/93/523095693.db2.gz ZTEPRWNOXBMIRX-UHFFFAOYSA-N 1 1 471.561 3.753 50 0 JHAAMO CCn1c2ccccc2n(Cc2ccc(C(=O)NCCC[N@@H+](C)C3CCCCC3)cc2)c(=O)c1=O ZINC000033272623 523282464 /nfs/dbraw/zinc/28/24/64/523282464.db2.gz BIFIMHZDSBPWFL-UHFFFAOYSA-N 1 1 476.621 3.616 50 0 JHAAMO CCc1cc(N2CC[NH+](C)CC2)nc(SCc2cccc(C(=O)NCc3ccco3)c2)n1 ZINC000036038550 523796199 /nfs/dbraw/zinc/79/61/99/523796199.db2.gz KJCGLZVANOAQHP-UHFFFAOYSA-N 1 1 451.596 3.606 50 0 JHAAMO CCc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NCCC[NH+]4CCOCC4)c3)C2)cc1 ZINC000033034845 523885656 /nfs/dbraw/zinc/88/56/56/523885656.db2.gz WFRZWHMKNWEWHB-SANMLTNESA-N 1 1 463.622 3.721 50 0 JHAAMO CCc1ccc(S(=O)(=O)N2CCN(c3nc(Nc4ccc(C)cc4)cc(C)[nH+]3)CC2)cc1 ZINC000022698400 524012698 /nfs/dbraw/zinc/01/26/98/524012698.db2.gz SWRYETURCDTULJ-UHFFFAOYSA-N 1 1 451.596 3.910 50 0 JHAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)NCC(C)C)C[C@H](COc3ccc(C)nc3)C2)cc1OC ZINC000014742887 524041720 /nfs/dbraw/zinc/04/17/20/524041720.db2.gz LHAMLHQKONJTNK-FCHUYYIVSA-N 1 1 455.599 3.697 50 0 JHAAMO COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)cc1Cl ZINC000022789998 524610621 /nfs/dbraw/zinc/61/06/21/524610621.db2.gz JFJVAUDLRBKGEM-DEOSSOPVSA-N 1 1 487.044 3.951 50 0 JHAAMO COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)cc1Cl ZINC000022789998 524610626 /nfs/dbraw/zinc/61/06/26/524610626.db2.gz JFJVAUDLRBKGEM-DEOSSOPVSA-N 1 1 487.044 3.951 50 0 JHAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1)[NH+](C)C ZINC000012521301 524794454 /nfs/dbraw/zinc/79/44/54/524794454.db2.gz SBGRRXPKDNBZLN-QHCPKHFHSA-N 1 1 485.581 3.976 50 0 JHAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cc(Cl)c(Cl)cc1Cl ZINC000016425688 525148402 /nfs/dbraw/zinc/14/84/02/525148402.db2.gz OENBRFUGOSYECX-UHFFFAOYSA-N 1 1 490.840 3.757 50 0 JHAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1CCCCC1 ZINC000020351224 525149030 /nfs/dbraw/zinc/14/90/30/525149030.db2.gz GCHSMGRXPPYJBH-UHFFFAOYSA-N 1 1 469.651 3.515 50 0 JHAAMO Cc1c(C(=O)NCCC[NH+]2CCN(C)CC2)oc2c1-c1nn(Cc3cccc(Cl)c3)cc1CC2 ZINC000020490158 525610161 /nfs/dbraw/zinc/61/01/61/525610161.db2.gz YCALJNWWWVPFQJ-UHFFFAOYSA-N 1 1 482.028 3.619 50 0 JHAAMO COc1cccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccco2)c1OC ZINC000036103728 525923628 /nfs/dbraw/zinc/92/36/28/525923628.db2.gz NXIMVWCGDISZGK-HXUWFJFHSA-N 1 1 455.507 3.605 50 0 JHAAMO COc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccco2)c1OC ZINC000036103728 525923639 /nfs/dbraw/zinc/92/36/39/525923639.db2.gz NXIMVWCGDISZGK-HXUWFJFHSA-N 1 1 455.507 3.605 50 0 JHAAMO COc1cccc(COC[C@H](O)C[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1 ZINC000022546892 526055758 /nfs/dbraw/zinc/05/57/58/526055758.db2.gz ALMDSQFDWQFRDT-HSZRJFAPSA-N 1 1 453.608 3.514 50 0 JHAAMO Cc1ccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)cc3)n2)cc1 ZINC000033273550 526057312 /nfs/dbraw/zinc/05/73/12/526057312.db2.gz DLJQCISBHDHRKH-OAQYLSRUSA-N 1 1 489.620 3.964 50 0 JHAAMO COc1cccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000016319433 526133365 /nfs/dbraw/zinc/13/33/65/526133365.db2.gz MMLMDHJUTJMUFC-UHFFFAOYSA-N 1 1 493.629 3.543 50 0 JHAAMO Cc1noc(C)c1CC(=O)N1CCC[C@H](COc2cccc(C[N@@H+](C)Cc3cnn(C)c3)c2)C1 ZINC000014966392 526478690 /nfs/dbraw/zinc/47/86/90/526478690.db2.gz ACCCTRSSLYKKJJ-QFIPXVFZSA-N 1 1 465.598 3.517 50 0 JHAAMO Cc1noc(C)c1CC(=O)N1CCC[C@H](COc2cccc(C[N@H+](C)Cc3cnn(C)c3)c2)C1 ZINC000014966392 526478693 /nfs/dbraw/zinc/47/86/93/526478693.db2.gz ACCCTRSSLYKKJJ-QFIPXVFZSA-N 1 1 465.598 3.517 50 0 JHAAMO O=C([C@@H]1C[C@H]1c1ccccc1)N1CCOc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2C1 ZINC000014957959 526511674 /nfs/dbraw/zinc/51/16/74/526511674.db2.gz BZCRCELALMGJFT-IZZNHLLZSA-N 1 1 468.601 3.929 50 0 JHAAMO O=C(CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1)CC2)NCc1ccccc1Cl ZINC000021810314 527057469 /nfs/dbraw/zinc/05/74/69/527057469.db2.gz NYJOVXHNPSYYJJ-UHFFFAOYSA-N 1 1 454.983 3.802 50 0 JHAAMO O=C(CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1)CC2)NCc1ccccc1Cl ZINC000021810314 527057474 /nfs/dbraw/zinc/05/74/74/527057474.db2.gz NYJOVXHNPSYYJJ-UHFFFAOYSA-N 1 1 454.983 3.802 50 0 JHAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc(OCc3cn5ccccc5n3)cc2)N1)OCCCO4 ZINC000012506425 527137121 /nfs/dbraw/zinc/13/71/21/527137121.db2.gz YNNIPDFDZWDMRE-XMMPIXPASA-N 1 1 481.516 3.521 50 0 JHAAMO Cn1nc(C(=O)Nc2ccccc2)c2c1CC[N@H+](Cc1ccc(C(=O)N3CCCCC3)cc1)C2 ZINC000033280377 527547781 /nfs/dbraw/zinc/54/77/81/527547781.db2.gz BLNKAPXAPDCECG-UHFFFAOYSA-N 1 1 457.578 3.857 50 0 JHAAMO Cn1nc(C(=O)Nc2ccccc2)c2c1CC[N@@H+](Cc1ccc(C(=O)N3CCCCC3)cc1)C2 ZINC000033280377 527547791 /nfs/dbraw/zinc/54/77/91/527547791.db2.gz BLNKAPXAPDCECG-UHFFFAOYSA-N 1 1 457.578 3.857 50 0 JHAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000021634391 527667286 /nfs/dbraw/zinc/66/72/86/527667286.db2.gz GRWDEKIFWVGHAD-HHHXNRCGSA-N 1 1 486.591 3.726 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000096230655 535644011 /nfs/dbraw/zinc/64/40/11/535644011.db2.gz WVXJTHYARRZHLG-UHFFFAOYSA-N 1 1 455.002 3.517 50 0 JHAAMO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000002247470 554112208 /nfs/dbraw/zinc/11/22/08/554112208.db2.gz XODCMPHTNZXQIW-UHFFFAOYSA-N 1 1 451.523 3.749 50 0 JHAAMO O=S(=O)(c1ccccc1)N1CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)CC1 ZINC000002661798 554275018 /nfs/dbraw/zinc/27/50/18/554275018.db2.gz RLBRWSYDRVKLFI-UHFFFAOYSA-N 1 1 497.690 3.677 50 0 JHAAMO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000008983399 554847722 /nfs/dbraw/zinc/84/77/22/554847722.db2.gz BNAKFQUDEQETRU-OAHLLOKOSA-N 1 1 457.518 3.851 50 0 JHAAMO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000008983399 554847723 /nfs/dbraw/zinc/84/77/23/554847723.db2.gz BNAKFQUDEQETRU-OAHLLOKOSA-N 1 1 457.518 3.851 50 0 JHAAMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000009282059 555051672 /nfs/dbraw/zinc/05/16/72/555051672.db2.gz RWSWEWMKANHCQA-IMIIHFCZSA-N 1 1 457.917 3.924 50 0 JHAAMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000009282059 555051673 /nfs/dbraw/zinc/05/16/73/555051673.db2.gz RWSWEWMKANHCQA-IMIIHFCZSA-N 1 1 457.917 3.924 50 0 JHAAMO CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1)OCO3 ZINC000009428325 555193944 /nfs/dbraw/zinc/19/39/44/555193944.db2.gz ZUAXEBPTKIPNBL-UHFFFAOYSA-N 1 1 463.534 3.967 50 0 JHAAMO C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000009640858 555351499 /nfs/dbraw/zinc/35/14/99/555351499.db2.gz ZRWHBTONCAVWFY-DVECYGJZSA-N 1 1 479.602 3.986 50 0 JHAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009583358 555391087 /nfs/dbraw/zinc/39/10/87/555391087.db2.gz BFSJIIWANGMALR-WMZHIEFXSA-N 1 1 499.633 3.797 50 0 JHAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009583358 555391090 /nfs/dbraw/zinc/39/10/90/555391090.db2.gz BFSJIIWANGMALR-WMZHIEFXSA-N 1 1 499.633 3.797 50 0 JHAAMO Cc1ccc(CN2[NH+]=C(C)[C@H](C)n3c4c(nc32)n(C)c(=O)n(Cc2ccc(C)cc2)c4=O)cc1 ZINC000009707523 555430502 /nfs/dbraw/zinc/43/05/02/555430502.db2.gz JKWDIBPHWXYCBN-IBGZPJMESA-N 1 1 456.550 3.519 50 0 JHAAMO Cc1cccc(CN2[NH+]=C(C)[C@@H](C)n3c4c(nc32)n(C)c(=O)n(Cc2cccc(C)c2)c4=O)c1 ZINC000009707520 555430508 /nfs/dbraw/zinc/43/05/08/555430508.db2.gz SHRBAUOZZMENEJ-LJQANCHMSA-N 1 1 456.550 3.519 50 0 JHAAMO COc1cccc(N2C(=O)C[C@H]([NH+]3CCC(C4CCN(C(=O)c5ccccc5)CC4)CC3)C2=O)c1 ZINC000019890279 555529879 /nfs/dbraw/zinc/52/98/79/555529879.db2.gz UKWLGNGUUGRADO-VWLOTQADSA-N 1 1 475.589 3.592 50 0 JHAAMO CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000009835250 555539882 /nfs/dbraw/zinc/53/98/82/555539882.db2.gz DNRZKBWTOGWPSE-JOCHJYFZSA-N 1 1 453.564 3.672 50 0 JHAAMO C[NH+](C)CCNc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000013718461 555594799 /nfs/dbraw/zinc/59/47/99/555594799.db2.gz WLSUGVFISKBWIJ-UHFFFAOYSA-N 1 1 463.943 3.573 50 0 JHAAMO O=C(CCC(=O)N1CC[NH+](CCc2ccccc2)CC1)Nc1nnc(C2CCCCC2)s1 ZINC000013759411 555612253 /nfs/dbraw/zinc/61/22/53/555612253.db2.gz CRZPJTZAUIQVDA-UHFFFAOYSA-N 1 1 455.628 3.691 50 0 JHAAMO O=C(CN1C(=O)/C(=C/c2ccccc2F)Oc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020180757 555687370 /nfs/dbraw/zinc/68/73/70/555687370.db2.gz IURQEVZSGZEKJP-ITYLOYPMSA-N 1 1 471.532 3.937 50 0 JHAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000014244256 555745879 /nfs/dbraw/zinc/74/58/79/555745879.db2.gz KYDUSBNYMHZKCJ-IVZQSRNASA-N 1 1 475.661 3.624 50 0 JHAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000014244256 555745881 /nfs/dbraw/zinc/74/58/81/555745881.db2.gz KYDUSBNYMHZKCJ-IVZQSRNASA-N 1 1 475.661 3.624 50 0 JHAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000014244257 555745906 /nfs/dbraw/zinc/74/59/06/555745906.db2.gz KYDUSBNYMHZKCJ-OYHNWAKOSA-N 1 1 475.661 3.624 50 0 JHAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000014244257 555745908 /nfs/dbraw/zinc/74/59/08/555745908.db2.gz KYDUSBNYMHZKCJ-OYHNWAKOSA-N 1 1 475.661 3.624 50 0 JHAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000020283678 555753237 /nfs/dbraw/zinc/75/32/37/555753237.db2.gz SYYXPWKIZOAOOV-VWLOTQADSA-N 1 1 493.604 3.830 50 0 JHAAMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1Cl ZINC000014333586 555794940 /nfs/dbraw/zinc/79/49/40/555794940.db2.gz ZFHFXSKMMNJPBL-OFNKIYASSA-N 1 1 455.986 3.899 50 0 JHAAMO CCN1CCN(C(=O)c2ccc(N3CCC([N@H+]4CCOc5ccc(Cl)cc5C4)CC3)cc2)CC1 ZINC000011782788 555813776 /nfs/dbraw/zinc/81/37/76/555813776.db2.gz YGXZAEFGDBVTIK-UHFFFAOYSA-N 1 1 483.056 3.981 50 0 JHAAMO O=C(Cc1ccccc1)NCc1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000011783144 555814030 /nfs/dbraw/zinc/81/40/30/555814030.db2.gz QSBVARXUAXVPES-UHFFFAOYSA-N 1 1 451.574 3.862 50 0 JHAAMO CCCC[N@@H+](CC)CCNC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccccc4)nc32)CC1 ZINC000020564181 555817092 /nfs/dbraw/zinc/81/70/92/555817092.db2.gz QJTFDRVPMUIZSR-UHFFFAOYSA-N 1 1 477.657 3.887 50 0 JHAAMO CC[N@@H+](CCCNC(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O)Cc1ccccc1 ZINC000020574643 555829199 /nfs/dbraw/zinc/82/91/99/555829199.db2.gz UXEYIBZQPMJUIZ-UHFFFAOYSA-N 1 1 477.540 3.609 50 0 JHAAMO C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)N2CCOCC2)C1 ZINC000011841572 555834162 /nfs/dbraw/zinc/83/41/62/555834162.db2.gz SGOXLJSSMFTDHY-LJQANCHMSA-N 1 1 452.551 3.552 50 0 JHAAMO CCOc1ccccc1C[N@@H+]1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccco3)n2CC1 ZINC000020600200 555841812 /nfs/dbraw/zinc/84/18/12/555841812.db2.gz BUACNXXSSFPFFM-HXUWFJFHSA-N 1 1 451.571 3.845 50 0 JHAAMO CSc1ccc(CN2C[C@H](Sc3nc(C)cc(C)n3)C[C@H]2C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000014992604 555842288 /nfs/dbraw/zinc/84/22/88/555842288.db2.gz SHZBNSQYWUITJP-PKTZIBPZSA-N 1 1 485.723 3.715 50 0 JHAAMO Cc1ncsc1CCC(=O)NCc1nc(-c2cccc(NC(=O)[C@H]3CCC[N@H+](C)C3)c2)oc1C ZINC000015003093 555848300 /nfs/dbraw/zinc/84/83/00/555848300.db2.gz ONJWXVXBPXOGBJ-IBGZPJMESA-N 1 1 481.622 3.944 50 0 JHAAMO CC1=C(CC[N@@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)C(C)(C)CCC1 ZINC000011908904 555855542 /nfs/dbraw/zinc/85/55/42/555855542.db2.gz OBTNSVHWQRWDFI-UHFFFAOYSA-N 1 1 465.642 3.791 50 0 JHAAMO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)c1 ZINC000021794907 555856393 /nfs/dbraw/zinc/85/63/93/555856393.db2.gz HXEMJVJKYGZYQO-UHFFFAOYSA-N 1 1 453.568 3.783 50 0 JHAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)[N@H+](Cc3ccc(C(C)C)cc3)C2)nn1 ZINC000011970049 555873250 /nfs/dbraw/zinc/87/32/50/555873250.db2.gz ZXRPCWCIOSRWIC-NOZRDPDXSA-N 1 1 493.583 3.502 50 0 JHAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)[N@@H+](Cc3ccc(C(C)C)cc3)C2)nn1 ZINC000011970049 555873253 /nfs/dbraw/zinc/87/32/53/555873253.db2.gz ZXRPCWCIOSRWIC-NOZRDPDXSA-N 1 1 493.583 3.502 50 0 JHAAMO O=c1c(Cl)c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000015114748 555878629 /nfs/dbraw/zinc/87/86/29/555878629.db2.gz LBXZMCXVOZTZNK-QGZVFWFLSA-N 1 1 479.890 3.613 50 0 JHAAMO O=c1c(Cl)c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000015114748 555878632 /nfs/dbraw/zinc/87/86/32/555878632.db2.gz LBXZMCXVOZTZNK-QGZVFWFLSA-N 1 1 479.890 3.613 50 0 JHAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000015307356 555895686 /nfs/dbraw/zinc/89/56/86/555895686.db2.gz WTACKLVAAUGWTN-LJQANCHMSA-N 1 1 453.340 3.837 50 0 JHAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc3ccc(F)cc3n(Cc3ccccn3)c2=O)C1 ZINC000012209850 555942656 /nfs/dbraw/zinc/94/26/56/555942656.db2.gz KWCIGFNRAFNCHF-HXUWFJFHSA-N 1 1 450.558 3.664 50 0 JHAAMO O=C(Cc1ccccc1)NCc1nnc2n1CC[N@H+](CC(c1ccccc1)c1ccccc1)CC2 ZINC000012211571 555942940 /nfs/dbraw/zinc/94/29/40/555942940.db2.gz DCFZZQSMYYOBLX-UHFFFAOYSA-N 1 1 465.601 3.827 50 0 JHAAMO C[N@@H+](CCCNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21)C1CCCCC1 ZINC000015722296 555956778 /nfs/dbraw/zinc/95/67/78/555956778.db2.gz QOYXANRQFZYRSO-UHFFFAOYSA-N 1 1 488.698 3.977 50 0 JHAAMO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)c1 ZINC000015726379 555964879 /nfs/dbraw/zinc/96/48/79/555964879.db2.gz WMTRLOJEMVCRER-UHFFFAOYSA-N 1 1 494.548 3.781 50 0 JHAAMO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1)Cc1ccccc1 ZINC000015728125 555967933 /nfs/dbraw/zinc/96/79/33/555967933.db2.gz JQHQMYVIUNXSSO-OAQYLSRUSA-N 1 1 452.628 3.574 50 0 JHAAMO Cc1nn(-c2ccc(Cl)cc2)cc1-c1noc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000015729777 555970740 /nfs/dbraw/zinc/97/07/40/555970740.db2.gz YJDMOXBXQVLSPW-UHFFFAOYSA-N 1 1 462.941 3.672 50 0 JHAAMO Cc1nn(-c2ccc(Cl)cc2)cc1-c1noc(C(=O)NCC[N@H+]2CCc3ccccc3C2)n1 ZINC000015729777 555970745 /nfs/dbraw/zinc/97/07/45/555970745.db2.gz YJDMOXBXQVLSPW-UHFFFAOYSA-N 1 1 462.941 3.672 50 0 JHAAMO C[C@H]1CSc2ccc(S(=O)(=O)N3CCC(C[N@H+]4CCc5ccccc5C4)CC3)cc2NC1=O ZINC000015731205 555974400 /nfs/dbraw/zinc/97/44/00/555974400.db2.gz XYEFONSKVIIMJQ-SFHVURJKSA-N 1 1 485.675 3.826 50 0 JHAAMO COCc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1-c1ncc(C)c(-c2cccs2)n1 ZINC000012456039 555981664 /nfs/dbraw/zinc/98/16/64/555981664.db2.gz HIYFSVWDAGTTHS-HXUWFJFHSA-N 1 1 488.617 3.850 50 0 JHAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)C3CCN(c4nc5cccnc5s4)CC3)C[C@H]2C)c1 ZINC000015770303 555988713 /nfs/dbraw/zinc/98/87/13/555988713.db2.gz JQEHARRYNQKTFZ-OAQYLSRUSA-N 1 1 492.693 3.933 50 0 JHAAMO Cc1c(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000022990571 555995661 /nfs/dbraw/zinc/99/56/61/555995661.db2.gz SVGJRFZNZDBJDC-UHFFFAOYSA-N 1 1 450.505 3.964 50 0 JHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)n2)cc1 ZINC000015824956 556013336 /nfs/dbraw/zinc/01/33/36/556013336.db2.gz UHCRCYYLZKDLBY-UHFFFAOYSA-N 1 1 471.517 3.606 50 0 JHAAMO Cc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000023181090 556027721 /nfs/dbraw/zinc/02/77/21/556027721.db2.gz HGLRDTXLZTWWLJ-OFVILXPXSA-N 1 1 476.646 3.741 50 0 JHAAMO C[C@@H](c1cccs1)[N@H+](C)Cn1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1=S ZINC000012561915 556055430 /nfs/dbraw/zinc/05/54/30/556055430.db2.gz NHDOEULIBOSTOJ-AWEZNQCLSA-N 1 1 453.611 3.697 50 0 JHAAMO C[C@@H](c1cccs1)[N@@H+](C)Cn1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1=S ZINC000012561915 556055431 /nfs/dbraw/zinc/05/54/31/556055431.db2.gz NHDOEULIBOSTOJ-AWEZNQCLSA-N 1 1 453.611 3.697 50 0 JHAAMO CCCCn1c2nc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)n(CC)c2c(=O)[nH]c1=O ZINC000023956656 556105547 /nfs/dbraw/zinc/10/55/47/556105547.db2.gz RWLGAMBNDOGPJH-MRXNPFEDSA-N 1 1 466.611 3.696 50 0 JHAAMO CCCCn1c2nc(C[N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)n(CC)c2c(=O)[nH]c1=O ZINC000023956656 556105551 /nfs/dbraw/zinc/10/55/51/556105551.db2.gz RWLGAMBNDOGPJH-MRXNPFEDSA-N 1 1 466.611 3.696 50 0 JHAAMO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cc1 ZINC000023968054 556108018 /nfs/dbraw/zinc/10/80/18/556108018.db2.gz FXIQCOHRDJGWKT-UQBPGWFLSA-N 1 1 483.586 3.939 50 0 JHAAMO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cc1 ZINC000023968054 556108020 /nfs/dbraw/zinc/10/80/20/556108020.db2.gz FXIQCOHRDJGWKT-UQBPGWFLSA-N 1 1 483.586 3.939 50 0 JHAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3Br)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016013044 556112138 /nfs/dbraw/zinc/11/21/38/556112138.db2.gz HGAQSMIQMSBWGD-UGCAPWQASA-N 1 1 494.389 3.751 50 0 JHAAMO CC(C)C[N@H+]1CCO[C@H](CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCC4)C1 ZINC000024294175 556128519 /nfs/dbraw/zinc/12/85/19/556128519.db2.gz KWUIHDJTUUPURB-IRXDYDNUSA-N 1 1 463.669 3.575 50 0 JHAAMO CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000024528747 556134865 /nfs/dbraw/zinc/13/48/65/556134865.db2.gz NDOGKVJQVFREKT-OALUTQOASA-N 1 1 489.638 3.504 50 0 JHAAMO CN(Cc1ccc(Br)cc1)C(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000024746837 556147941 /nfs/dbraw/zinc/14/79/41/556147941.db2.gz GLKGNHSGPZWTCY-UHFFFAOYSA-N 1 1 487.394 3.774 50 0 JHAAMO CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)cc2)cc1 ZINC000024755637 556150351 /nfs/dbraw/zinc/15/03/51/556150351.db2.gz KHSAEUDGQUPNFN-OAQYLSRUSA-N 1 1 457.552 3.512 50 0 JHAAMO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)c2cccs2)CC1 ZINC000012936963 556151860 /nfs/dbraw/zinc/15/18/60/556151860.db2.gz QDAWAAJVZNHXMI-SFHVURJKSA-N 1 1 489.585 3.792 50 0 JHAAMO Cc1cc(O)c([C@@H](c2cccnc2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccco1 ZINC000016993941 556198375 /nfs/dbraw/zinc/19/83/75/556198375.db2.gz VBJKPTZWNGNOOF-AREMUKBSSA-N 1 1 456.546 3.810 50 0 JHAAMO COc1cc(C)c(S(=O)(=O)N2CCN(c3nc(Nc4ccc(C)cc4)cc(C)[nH+]3)CC2)cc1C ZINC000017042668 556208936 /nfs/dbraw/zinc/20/89/36/556208936.db2.gz WZOITKWYBXBNAW-UHFFFAOYSA-N 1 1 481.622 3.973 50 0 JHAAMO C[N@@H+](CCCNC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)Cc1ccccc1 ZINC000018091371 556286622 /nfs/dbraw/zinc/28/66/22/556286622.db2.gz BNQNXSQASWWNRI-UHFFFAOYSA-N 1 1 497.583 3.744 50 0 JHAAMO C[N@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1cccc(Cl)c1Cl ZINC000028659029 556339318 /nfs/dbraw/zinc/33/93/18/556339318.db2.gz HZMDPNFGQSNXRD-UHFFFAOYSA-N 1 1 459.395 3.525 50 0 JHAAMO C[N@@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1cccc(Cl)c1Cl ZINC000028659029 556339321 /nfs/dbraw/zinc/33/93/21/556339321.db2.gz HZMDPNFGQSNXRD-UHFFFAOYSA-N 1 1 459.395 3.525 50 0 JHAAMO CNC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccc(OC)cc2)CC1 ZINC000029161796 556348413 /nfs/dbraw/zinc/34/84/13/556348413.db2.gz GJPPLTMAUQILGY-MHZLTWQESA-N 1 1 484.600 3.984 50 0 JHAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)[NH+](C)C ZINC000029508300 556352603 /nfs/dbraw/zinc/35/26/03/556352603.db2.gz ONTGYBZXVWQDDO-QHCPKHFHSA-N 1 1 457.530 3.524 50 0 JHAAMO COC(=O)CN1C(CCN2CCOCC2)=[NH+]c2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000019707376 556361151 /nfs/dbraw/zinc/36/11/51/556361151.db2.gz DHAFBYZCCBTVEW-QHCPKHFHSA-N 1 1 472.383 3.779 50 0 JHAAMO CCOc1cc(CNC[C@@H](Cc2ccccc2)[NH+](CC)CC)ccc1O[C@H](C)C(=O)N(C)C ZINC000030902911 556387791 /nfs/dbraw/zinc/38/77/91/556387791.db2.gz YAXBBGQWVRKGLH-ZJSXRUAMSA-N 1 1 455.643 3.984 50 0 JHAAMO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)cc2)C1 ZINC000032863808 556515388 /nfs/dbraw/zinc/51/53/88/556515388.db2.gz HNZRGOSBYOXCNK-HXUWFJFHSA-N 1 1 473.614 3.594 50 0 JHAAMO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)cc2)C1 ZINC000032863808 556515390 /nfs/dbraw/zinc/51/53/90/556515390.db2.gz HNZRGOSBYOXCNK-HXUWFJFHSA-N 1 1 473.614 3.594 50 0 JHAAMO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000032916137 556540013 /nfs/dbraw/zinc/54/00/13/556540013.db2.gz VFXGDGLUTHSHLA-OAQYLSRUSA-N 1 1 487.670 3.830 50 0 JHAAMO COc1ccccc1-n1cc(CN2CCOc3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3C2)cn1 ZINC000012020414 562958437 /nfs/dbraw/zinc/95/84/37/562958437.db2.gz LUAHAOQZTKBCFM-OYRHEFFESA-N 1 1 462.594 3.885 50 0 JHAAMO COc1ccccc1-n1cc(CN2CCOc3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3C2)cn1 ZINC000012020414 562958438 /nfs/dbraw/zinc/95/84/38/562958438.db2.gz LUAHAOQZTKBCFM-OYRHEFFESA-N 1 1 462.594 3.885 50 0 JHAAMO CCOc1ccc2nc(N3CCC([NH+]4CCN(C(=O)c5ccc(OC)cc5)CC4)CC3)nc(C)c2c1 ZINC000055575962 569592307 /nfs/dbraw/zinc/59/23/07/569592307.db2.gz CLSLAXMNJCDOIA-UHFFFAOYSA-N 1 1 489.620 3.772 50 0 JHAAMO CC(C)c1ccc([C@H]([NH2+]CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c2cccs2)cc1 ZINC000057331824 569598851 /nfs/dbraw/zinc/59/88/51/569598851.db2.gz KBKGWCFWJOXCPE-NRFANRHFSA-N 1 1 454.596 3.836 50 0 JHAAMO CCOc1ccccc1[C@H]1NC(=O)NC(C[NH+]2CCC(Cc3ccccc3)CC2)=C1C(=O)OC ZINC000057415680 569600990 /nfs/dbraw/zinc/60/09/90/569600990.db2.gz ZBOUDLMUXVXHJD-RUZDIDTESA-N 1 1 463.578 3.821 50 0 JHAAMO CCOc1ccccc1[C@H]1NC(=O)N=C(C[NH+]2CCC(Cc3ccccc3)CC2)C1C(=O)OC ZINC000057415680 569600992 /nfs/dbraw/zinc/60/09/92/569600992.db2.gz ZBOUDLMUXVXHJD-RUZDIDTESA-N 1 1 463.578 3.821 50 0 JHAAMO O=C(c1cccs1)[C@@H]1[C@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccccc32)[C@@]12C(=O)Nc1ccccc12 ZINC000061999521 569610077 /nfs/dbraw/zinc/61/00/77/569610077.db2.gz ZWUYRCJPMLQNLI-WFAUAPPHSA-N 1 1 455.539 3.763 50 0 biogenic JHAAMO O=C(c1cccs1)[C@@H]1[C@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccccc32)[C@@]12C(=O)Nc1ccccc12 ZINC000061999521 569610078 /nfs/dbraw/zinc/61/00/78/569610078.db2.gz ZWUYRCJPMLQNLI-WFAUAPPHSA-N 1 1 455.539 3.763 50 0 biogenic JHAAMO Cc1sc(-c2nc(-c3cccc(Cl)c3)no2)cc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000064450518 569617068 /nfs/dbraw/zinc/61/70/68/569617068.db2.gz AFUWXVMNPBYLAG-UHFFFAOYSA-N 1 1 452.989 3.801 50 0 JHAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2cccc(Cn3c(=O)c4cccn4c4cccnc43)c2)C1 ZINC000033018558 569618326 /nfs/dbraw/zinc/61/83/26/569618326.db2.gz PJBBCFUIIKQOLL-FQEVSTJZSA-N 1 1 457.578 3.549 50 0 JHAAMO Cc1ccc(Cc2nc3nc4c(c(N5CC[NH+](Cc6ccc7c(c6)OCO7)CC5)n3n2)CCCC4)cc1 ZINC000064592854 569622500 /nfs/dbraw/zinc/62/25/00/569622500.db2.gz QTSWTRGZCRSZIO-UHFFFAOYSA-N 1 1 496.615 3.953 50 0 JHAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3ccccc3F)[nH]c(=O)c2C1 ZINC000033331755 569624384 /nfs/dbraw/zinc/62/43/84/569624384.db2.gz RTLACNNSYVSZSD-UHFFFAOYSA-N 1 1 454.527 3.619 50 0 JHAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3ccccc3F)[nH]c(=O)c2C1 ZINC000033331755 569624385 /nfs/dbraw/zinc/62/43/85/569624385.db2.gz RTLACNNSYVSZSD-UHFFFAOYSA-N 1 1 454.527 3.619 50 0 JHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(c2nc3ccccc3n(Cc3ccc(C)cc3)c2=O)C1 ZINC000064775782 569627744 /nfs/dbraw/zinc/62/77/44/569627744.db2.gz IGSFJMXUABLDNA-DNQXCXABSA-N 1 1 487.648 3.570 50 0 JHAAMO COc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)cc1C ZINC000064802172 569631896 /nfs/dbraw/zinc/63/18/96/569631896.db2.gz AZGQITVASBGRBJ-UHFFFAOYSA-N 1 1 483.594 3.791 50 0 JHAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)nc(N2CCCC2)[nH+]1 ZINC000064802118 569631945 /nfs/dbraw/zinc/63/19/45/569631945.db2.gz PEZKSIWFYFWKRZ-UHFFFAOYSA-N 1 1 467.551 3.701 50 0 JHAAMO CC[C@H](C(=O)N[C@@H](CC)C[N@@H+](C)Cc1ccccc1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839510 569637297 /nfs/dbraw/zinc/63/72/97/569637297.db2.gz AAADDBJELVCHDF-NZQKXSOJSA-N 1 1 459.594 3.866 50 0 JHAAMO Cc1cccc(N2CC[NH+](CCNC(=O)CC3CCN(C(=O)NC4CCCCC4)CC3)CC2)c1C ZINC000064847129 569638963 /nfs/dbraw/zinc/63/89/63/569638963.db2.gz IWWLUMRMBQRHGI-UHFFFAOYSA-N 1 1 483.701 3.686 50 0 JHAAMO COc1ccc(-n2nc(C)c(CCC(=O)N3CC[NH+](C)CC3)c2Oc2ccc(F)cc2)cc1 ZINC000034668058 569640542 /nfs/dbraw/zinc/64/05/42/569640542.db2.gz SUQPAZSAQAEBLX-UHFFFAOYSA-N 1 1 452.530 3.827 50 0 JHAAMO O=C(NCc1cccc(C(F)(F)F)c1)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000034678014 569642263 /nfs/dbraw/zinc/64/22/63/569642263.db2.gz FQSMGICIGOFAPG-UHFFFAOYSA-N 1 1 458.484 3.941 50 0 JHAAMO COc1cccc(C[NH+]2CCN(c3ccc(NC(=O)c4ccccc4F)cn3)CC2)c1OC ZINC000034681531 569643359 /nfs/dbraw/zinc/64/33/59/569643359.db2.gz FUNLYWSFXIODHK-UHFFFAOYSA-N 1 1 450.514 3.812 50 0 JHAAMO C[C@H](C(=O)NCC[N@@H+](C)Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062296 569655752 /nfs/dbraw/zinc/65/57/52/569655752.db2.gz PVNBZOMCZFGKPU-KRWDZBQOSA-N 1 1 484.087 3.687 50 0 JHAAMO COc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000034757595 569656892 /nfs/dbraw/zinc/65/68/92/569656892.db2.gz JBQJDPPIPIBALA-UHFFFAOYSA-N 1 1 493.995 3.881 50 0 JHAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)cc4F)n2)CN(C(=O)c2ccccc2F)CC3)CC1 ZINC000034757673 569656910 /nfs/dbraw/zinc/65/69/10/569656910.db2.gz MKGJPUBOTPPDQM-UHFFFAOYSA-N 1 1 483.494 3.637 50 0 JHAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccco3)[C@H](C)C2)cc1 ZINC000034829733 569663396 /nfs/dbraw/zinc/66/33/96/569663396.db2.gz UDPIMYXLRZYHFQ-CLOONOSVSA-N 1 1 463.603 3.970 50 0 JHAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccco3)[C@H](C)C2)cc1 ZINC000034829733 569663397 /nfs/dbraw/zinc/66/33/97/569663397.db2.gz UDPIMYXLRZYHFQ-CLOONOSVSA-N 1 1 463.603 3.970 50 0 JHAAMO C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000034889444 569669169 /nfs/dbraw/zinc/66/91/69/569669169.db2.gz BHURJCVHVROIND-CVEARBPZSA-N 1 1 474.483 3.730 50 0 JHAAMO C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000034889444 569669170 /nfs/dbraw/zinc/66/91/70/569669170.db2.gz BHURJCVHVROIND-CVEARBPZSA-N 1 1 474.483 3.730 50 0 JHAAMO CCCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000034919578 569672096 /nfs/dbraw/zinc/67/20/96/569672096.db2.gz PZSDBXQVSSTXAS-QHCPKHFHSA-N 1 1 484.666 3.923 50 0 JHAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035224432 569678496 /nfs/dbraw/zinc/67/84/96/569678496.db2.gz VGEHIZAWOWIWDW-CROMWVBPSA-N 1 1 456.329 3.733 50 0 JHAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000035374605 569684154 /nfs/dbraw/zinc/68/41/54/569684154.db2.gz ZXNXNQVWJIXYGE-UNKHORCTSA-N 1 1 486.355 3.742 50 0 JHAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000035374605 569684157 /nfs/dbraw/zinc/68/41/57/569684157.db2.gz ZXNXNQVWJIXYGE-UNKHORCTSA-N 1 1 486.355 3.742 50 0 JHAAMO C[C@H](NC(=O)C[NH+]1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2)c1ccccc1 ZINC000067317652 569686849 /nfs/dbraw/zinc/68/68/49/569686849.db2.gz WROVPPSKPLITLE-INIZCTEOSA-N 1 1 462.472 3.536 50 0 JHAAMO COc1cccc([C@H](C)NC(=O)C[NH+]2CCC3(CC2)NC(c2ccc(OC(F)(F)F)cc2)=NO3)c1 ZINC000067317672 569686865 /nfs/dbraw/zinc/68/68/65/569686865.db2.gz GKHLSJABLHCILU-INIZCTEOSA-N 1 1 492.498 3.545 50 0 JHAAMO COc1cc(NC(=O)N2CCC(CC(=O)NCCC[N@H+]3CCC[C@H](C)C3)CC2)cc(OC)c1OC ZINC000035399186 569689648 /nfs/dbraw/zinc/68/96/48/569689648.db2.gz MKKUWLUEPMIYRQ-IBGZPJMESA-N 1 1 490.645 3.585 50 0 JHAAMO O=C(C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000035404175 569691448 /nfs/dbraw/zinc/69/14/48/569691448.db2.gz BVQRSJXCZNXVDC-UHFFFAOYSA-N 1 1 461.997 3.964 50 0 JHAAMO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000035404175 569691449 /nfs/dbraw/zinc/69/14/49/569691449.db2.gz BVQRSJXCZNXVDC-UHFFFAOYSA-N 1 1 461.997 3.964 50 0 JHAAMO Cc1ccccc1N1CCN(C(=O)C[N@H+]2CC=C(c3cnn(-c4ccc(F)cc4)c3)CC2)CC1 ZINC000035404604 569691571 /nfs/dbraw/zinc/69/15/71/569691571.db2.gz IGUCROPAPYVDIA-UHFFFAOYSA-N 1 1 459.569 3.758 50 0 JHAAMO Cc1ccccc1N1CCN(C(=O)C[N@@H+]2CC=C(c3cnn(-c4ccc(F)cc4)c3)CC2)CC1 ZINC000035404604 569691574 /nfs/dbraw/zinc/69/15/74/569691574.db2.gz IGUCROPAPYVDIA-UHFFFAOYSA-N 1 1 459.569 3.758 50 0 JHAAMO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000035414060 569691994 /nfs/dbraw/zinc/69/19/94/569691994.db2.gz WTEJSSCINYOOLW-JYFHCDHNSA-N 1 1 470.573 3.723 50 0 JHAAMO COc1ccc(OC)c([C@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)[NH+]2CCCCC2)c1 ZINC000035671872 569706318 /nfs/dbraw/zinc/70/63/18/569706318.db2.gz KPILIFNXHHDUIK-INIZCTEOSA-N 1 1 486.619 3.747 50 0 JHAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)cc3Br)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000035833251 569713144 /nfs/dbraw/zinc/71/31/44/569713144.db2.gz SQMDTXRIWXMHHW-HSGJQSDISA-N 1 1 494.389 3.603 50 0 JHAAMO COc1ccccc1CCNC(=O)[C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000035870526 569718216 /nfs/dbraw/zinc/71/82/16/569718216.db2.gz HAVGVGQSESOEKU-AHKZPQOWSA-N 1 1 455.602 3.917 50 0 JHAAMO CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)cc1 ZINC000095348741 569722436 /nfs/dbraw/zinc/72/24/36/569722436.db2.gz NTGUIBGLWHDWOW-UHFFFAOYSA-N 1 1 458.606 3.997 50 0 JHAAMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C[C@H](C)O1 ZINC000095390024 569722981 /nfs/dbraw/zinc/72/29/81/569722981.db2.gz OCYTZFAMNMCVNJ-BWPNAZKDSA-N 1 1 482.452 3.946 50 0 JHAAMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C[C@H](C)O1 ZINC000095390024 569722982 /nfs/dbraw/zinc/72/29/82/569722982.db2.gz OCYTZFAMNMCVNJ-BWPNAZKDSA-N 1 1 482.452 3.946 50 0 JHAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000095399212 569723165 /nfs/dbraw/zinc/72/31/65/569723165.db2.gz WTACKLVAAUGWTN-IBGZPJMESA-N 1 1 453.340 3.837 50 0 JHAAMO COc1cccc([C@@H](CC(=O)NCCC[NH+]2CCOCC2)c2c[nH]c3ccccc32)c1OC ZINC000035910719 569725980 /nfs/dbraw/zinc/72/59/80/569725980.db2.gz YRVZDXCNMJJDRF-OAQYLSRUSA-N 1 1 451.567 3.546 50 0 JHAAMO CC1CCC2(CC1)OC[C@H](C(=O)N1CC[NH+](C)CC1)N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000035981573 569742748 /nfs/dbraw/zinc/74/27/48/569742748.db2.gz KDODXSKJJHHVTL-JOXBDYEASA-N 1 1 454.398 3.515 50 0 JHAAMO CCN(CC)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036250138 569758191 /nfs/dbraw/zinc/75/81/91/569758191.db2.gz JNCSMTXULWNMFJ-FQEVSTJZSA-N 1 1 450.421 3.634 50 0 JHAAMO COc1ccc(NC(=O)N2CC[NH+]([C@H](C(=O)N3CCc4ccccc4C3)C3CCCC3)CC2)cc1 ZINC000036310847 569759344 /nfs/dbraw/zinc/75/93/44/569759344.db2.gz GUZJWIAIOHNUQN-SANMLTNESA-N 1 1 476.621 3.988 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036341243 569764363 /nfs/dbraw/zinc/76/43/63/569764363.db2.gz UHUBPDDJXPSNHE-BWKNWUBXSA-N 1 1 479.577 3.657 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036341243 569764364 /nfs/dbraw/zinc/76/43/64/569764364.db2.gz UHUBPDDJXPSNHE-BWKNWUBXSA-N 1 1 479.577 3.657 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3F)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036341218 569764405 /nfs/dbraw/zinc/76/44/05/569764405.db2.gz JAWBKFBSJRPOFZ-DVECYGJZSA-N 1 1 467.541 3.787 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3F)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036341218 569764406 /nfs/dbraw/zinc/76/44/06/569764406.db2.gz JAWBKFBSJRPOFZ-DVECYGJZSA-N 1 1 467.541 3.787 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccccc2C)C1 ZINC000036344963 569767385 /nfs/dbraw/zinc/76/73/85/569767385.db2.gz ANRRYIPCBIHUKZ-BWKNWUBXSA-N 1 1 463.578 3.956 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccccc2C)C1 ZINC000036344963 569767386 /nfs/dbraw/zinc/76/73/86/569767386.db2.gz ANRRYIPCBIHUKZ-BWKNWUBXSA-N 1 1 463.578 3.956 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccccc2C)C1 ZINC000036344916 569767507 /nfs/dbraw/zinc/76/75/07/569767507.db2.gz AHMPLEDHEHTMRD-OFVILXPXSA-N 1 1 463.578 3.956 50 0 JHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccccc2C)C1 ZINC000036344916 569767509 /nfs/dbraw/zinc/76/75/09/569767509.db2.gz AHMPLEDHEHTMRD-OFVILXPXSA-N 1 1 463.578 3.956 50 0 JHAAMO CCOC(=O)N1CC[NH+](C[C@H](O)[C@@](C)(O)CC[C@H]2[C@](C)(O)CC[C@H]3C(C)(C)CCC[C@]23C)CC1 ZINC000037133159 569781327 /nfs/dbraw/zinc/78/13/27/569781327.db2.gz XBBMIXBNQRCQLP-LUKUAUGISA-N 1 1 482.706 3.646 50 0 biogenic JHAAMO CC[NH+]1CCN(C(=O)c2ccccc2Cn2c(C)cs/c2=N\C(=O)c2ccc(F)cc2)CC1 ZINC000037427786 569789621 /nfs/dbraw/zinc/78/96/21/569789621.db2.gz RBTCHKWRYZWIKW-RFBIWTDZSA-N 1 1 466.582 3.564 50 0 JHAAMO CC[NH+]1CCN(C(=O)c2cccc(Cn3c(C)c(C)s/c3=N\C(=O)c3cccc(OC)c3)c2)CC1 ZINC000037436712 569790197 /nfs/dbraw/zinc/79/01/97/569790197.db2.gz LDOJSKPBLCSCIG-DQSJHHFOSA-N 1 1 492.645 3.742 50 0 JHAAMO O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101359120 569794281 /nfs/dbraw/zinc/79/42/81/569794281.db2.gz RZMCTNYJWIFFMY-POTDNYQPSA-N 1 1 493.519 3.565 50 0 JHAAMO O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101359120 569794282 /nfs/dbraw/zinc/79/42/82/569794282.db2.gz 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465.985 3.951 50 0 JHAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104983807 569848241 /nfs/dbraw/zinc/84/82/41/569848241.db2.gz FGCUDRVXLXAHGF-NHCUHLMSSA-N 1 1 458.530 3.726 50 0 JHAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104985286 569848741 /nfs/dbraw/zinc/84/87/41/569848741.db2.gz HSBOTZBDTAASGI-JTHBVZDNSA-N 1 1 482.508 3.720 50 0 JHAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@H](O)COC(C)C ZINC000105004910 569849884 /nfs/dbraw/zinc/84/98/84/569849884.db2.gz IAPHRFVREFQWFG-RBBKRZOGSA-N 1 1 460.640 3.669 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105008477 569850055 /nfs/dbraw/zinc/85/00/55/569850055.db2.gz FTNJJJCVRKYHIH-PXDATVDWSA-N 1 1 493.604 3.965 50 0 JHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105008477 569850057 /nfs/dbraw/zinc/85/00/57/569850057.db2.gz FTNJJJCVRKYHIH-PXDATVDWSA-N 1 1 493.604 3.965 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