smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2nc(N3CC[NH+](CCO)CC3)n(Cc3cccc(Br)c3)c2c(=O)[nH]c1=O ZINC000001267622 194081125 /nfs/dbraw/zinc/08/11/25/194081125.db2.gz RFHGLKRZXZGSHI-UHFFFAOYSA-N 1 1 463.336 0.348 50 0 JCAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(C[C@H](O)COc3ccc4ccccc4c3)c2c(=O)[nH]c1=O ZINC000002423209 554199612 /nfs/dbraw/zinc/19/96/12/554199612.db2.gz CRDTUIHMSQIREJ-SFHVURJKSA-N 1 1 464.526 0.768 50 0 JCAAMO O=S(=O)(c1ccc2c(c1)Cc1cc(S(=O)(=O)N3CC[NH2+]CC3)ccc1-2)N1CCNCC1 ZINC000002697063 554292820 /nfs/dbraw/zinc/29/28/20/554292820.db2.gz USZPTPFGSHGJAS-UHFFFAOYSA-N 1 1 462.597 0.446 50 0 JCAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000002965075 194183876 /nfs/dbraw/zinc/18/38/76/194183876.db2.gz GWVIGKFOHNJLRG-SFHVURJKSA-N 1 1 458.625 0.773 50 0 JCAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000002965077 194183922 /nfs/dbraw/zinc/18/39/22/194183922.db2.gz GWVIGKFOHNJLRG-GOSISDBHSA-N 1 1 458.625 0.773 50 0 JCAAMO CC(=O)c1c([O-])[n+](-c2ccccc2)nn1CC(O)C[N+]1=NN(c2ccccc2)C(=O)C1C(C)=O ZINC000003765446 194360074 /nfs/dbraw/zinc/36/00/74/194360074.db2.gz GXRNDTMVAAMSRH-UHFFFAOYSA-P 1 1 464.482 0.511 50 0 JCAAMO COCCn1c(=O)[nH]c2cc(C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)ccc2c1=O ZINC000004004662 194368935 /nfs/dbraw/zinc/36/89/35/194368935.db2.gz HFCYFEYAAATWRI-UHFFFAOYSA-N 1 1 451.527 0.888 50 0 JCAAMO CCCC[N@@H+](CC)CCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C ZINC000004035830 194371892 /nfs/dbraw/zinc/37/18/92/194371892.db2.gz CTSDCENGCWPPOT-UHFFFAOYSA-N 1 1 467.592 0.096 50 0 JCAAMO CC(C)[N@@H+](C[C@@H](O)COc1ccc(CC(N)=O)cc1)C[C@H](O)COc1ccc(CC(N)=O)cc1 ZINC000004574488 194392674 /nfs/dbraw/zinc/39/26/74/194392674.db2.gz SYUQLMYOHVGLTC-OYRHEFFESA-N 1 1 473.570 0.632 50 0 in-vitro JCAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(C[C@H](O)COc3ccc(Cl)cc3Cl)c2c(=O)[nH]c1=O ZINC000005313266 523927722 /nfs/dbraw/zinc/92/77/22/523927722.db2.gz KIFWVDMPJZQZQI-ZDUSSCGKSA-N 1 1 483.356 0.922 50 0 JCAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(C[C@@H](O)COc3ccc(Cl)cc3Cl)c2c(=O)[nH]c1=O ZINC000005313269 523927034 /nfs/dbraw/zinc/92/70/34/523927034.db2.gz KIFWVDMPJZQZQI-CYBMUJFWSA-N 1 1 483.356 0.922 50 0 JCAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(C[C@H](O)COc3ccc(Br)cc3)c2c(=O)[nH]c1=O ZINC000005313297 523926994 /nfs/dbraw/zinc/92/69/94/523926994.db2.gz KMXUDNSATFFURW-AWEZNQCLSA-N 1 1 493.362 0.378 50 0 JCAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(C[C@@H](O)COc3ccc(Br)cc3)c2c(=O)[nH]c1=O ZINC000005313299 523927020 /nfs/dbraw/zinc/92/70/20/523927020.db2.gz KMXUDNSATFFURW-CQSZACIVSA-N 1 1 493.362 0.378 50 0 JCAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(C[C@H](O)COc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000005360103 523929874 /nfs/dbraw/zinc/92/98/74/523929874.db2.gz ROHPMGMNCCSHEY-HNNXBMFYSA-N 1 1 462.938 0.279 50 0 JCAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000005360107 523929271 /nfs/dbraw/zinc/92/92/71/523929271.db2.gz ROHPMGMNCCSHEY-OAHLLOKOSA-N 1 1 462.938 0.279 50 0 JCAAMO CN(C)CCNS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCC[NH+](C)C)ccc1-2 ZINC000006186871 554516332 /nfs/dbraw/zinc/51/63/32/554516332.db2.gz BGZJFVUIZYZTFL-UHFFFAOYSA-N 1 1 466.629 0.938 50 0 JCAAMO O=C1C[C@@H]([NH2+]C[C@@H]2CCCO2)C(=O)N1c1ccc(N2C(=O)C[C@H](NC[C@@H]3CCCO3)C2=O)cc1 ZINC000008412359 554577576 /nfs/dbraw/zinc/57/75/76/554577576.db2.gz KYPHOZMXVGYCBW-LWYYNNOASA-N 1 1 470.526 0.488 50 0 JCAAMO O=C1C[C@@H](NC[C@@H]2CCCO2)C(=O)N1c1ccc(N2C(=O)C[C@H]([NH2+]C[C@@H]3CCCO3)C2=O)cc1 ZINC000008412359 554577572 /nfs/dbraw/zinc/57/75/72/554577572.db2.gz KYPHOZMXVGYCBW-LWYYNNOASA-N 1 1 470.526 0.488 50 0 JCAAMO O=C1C[C@@H]([NH2+]C[C@H]2CCCO2)C(=O)N1c1ccc(N2C(=O)C[C@H](NC[C@@H]3CCCO3)C2=O)cc1 ZINC000008412365 554577540 /nfs/dbraw/zinc/57/75/40/554577540.db2.gz KYPHOZMXVGYCBW-FGYAAKKASA-N 1 1 470.526 0.488 50 0 JCAAMO O=C1C[C@@H](NC[C@H]2CCCO2)C(=O)N1c1ccc(N2C(=O)C[C@H]([NH2+]C[C@@H]3CCCO3)C2=O)cc1 ZINC000008412365 554577536 /nfs/dbraw/zinc/57/75/36/554577536.db2.gz KYPHOZMXVGYCBW-FGYAAKKASA-N 1 1 470.526 0.488 50 0 JCAAMO CCCC[N@@H+](C)CCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000008584796 562940678 /nfs/dbraw/zinc/94/06/78/562940678.db2.gz ATVMUURIDCBXRB-UHFFFAOYSA-N 1 1 484.644 0.994 50 0 JCAAMO CCCC[N@@H+](CC)CCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000008597993 520474847 /nfs/dbraw/zinc/47/48/47/520474847.db2.gz CXGSLMFRZUIRGP-UHFFFAOYSA-N 1 1 482.603 0.671 50 0 JCAAMO CCCC[N@@H+](C)CCCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000008597997 562944847 /nfs/dbraw/zinc/94/48/47/562944847.db2.gz KFVWOMKIUWJVSP-UHFFFAOYSA-N 1 1 482.603 0.671 50 0 JCAAMO Cc1cnc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CC[NH+](C)CC2)cn1 ZINC000008687929 562953640 /nfs/dbraw/zinc/95/36/40/562953640.db2.gz NCWHUSYIFWNKKR-UHFFFAOYSA-N 1 1 460.560 0.810 50 0 JCAAMO O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 ZINC000008727551 569601135 /nfs/dbraw/zinc/60/11/35/569601135.db2.gz WWHQGLLHTHAJTN-HXUWFJFHSA-N 1 1 458.559 0.598 50 0 JCAAMO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 ZINC000008727551 569601133 /nfs/dbraw/zinc/60/11/33/569601133.db2.gz WWHQGLLHTHAJTN-HXUWFJFHSA-N 1 1 458.559 0.598 50 0 JCAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(C[C@@H](O)COc3ccc4ccccc4c3)c2c(=O)[nH]c1=O ZINC000009110562 194530990 /nfs/dbraw/zinc/53/09/90/194530990.db2.gz CRDTUIHMSQIREJ-GOSISDBHSA-N 1 1 464.526 0.768 50 0 JCAAMO Cn1c2[nH]c(=NN3CC[NH+](C)CC3)n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000009425013 555189977 /nfs/dbraw/zinc/18/99/77/555189977.db2.gz QWWYLVGUVGBLRN-UHFFFAOYSA-N 1 1 462.352 0.819 50 0 JCAAMO C[NH+]1CCN(c2ccc3nnc(CCC(=O)N4CCN(C(=O)c5ccco5)CC4)n3n2)CC1 ZINC000009431033 555199413 /nfs/dbraw/zinc/19/94/13/555199413.db2.gz MUWFSAVWENBVSJ-UHFFFAOYSA-N 1 1 452.519 0.386 50 0 JCAAMO O=C(C[NH2+]Cc1ccco1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000009444809 555217807 /nfs/dbraw/zinc/21/78/07/555217807.db2.gz XFPHPFFWCGATIO-UHFFFAOYSA-N 1 1 464.544 0.865 50 0 JCAAMO Cn1c2c([nH]c1=NN1CC[NH+](C)CC1)n(C)c(=O)n(Cc1ccc(Br)cc1)c2=O ZINC000009464731 555237749 /nfs/dbraw/zinc/23/77/49/555237749.db2.gz PGZPGTOFDIHHNT-UHFFFAOYSA-N 1 1 462.352 0.819 50 0 JCAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(CCCSc3nnnn3-c3ccccc3)c2c(=O)[nH]c1=O ZINC000009518757 555314535 /nfs/dbraw/zinc/31/45/35/555314535.db2.gz GCTOOQGCUNRJJE-UHFFFAOYSA-N 1 1 482.574 0.333 50 0 JCAAMO C[C@H](CSc1nnnn1-c1ccccc1)Cn1c(N2CC[NH+](C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000009518779 555314737 /nfs/dbraw/zinc/31/47/37/555314737.db2.gz ZYNJJKYBJRQZME-HNNXBMFYSA-N 1 1 496.601 0.579 50 0 JCAAMO C[C@@H](CSc1nnnn1-c1ccccc1)Cn1c(N2CC[NH+](C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000009518780 555314693 /nfs/dbraw/zinc/31/46/93/555314693.db2.gz ZYNJJKYBJRQZME-OAHLLOKOSA-N 1 1 496.601 0.579 50 0 JCAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)C2=NNC(=O)CC2)CC1 ZINC000009630959 555459382 /nfs/dbraw/zinc/45/93/82/555459382.db2.gz VMCAZONAYIRZLN-UHFFFAOYSA-N 1 1 462.576 0.818 50 0 JCAAMO NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)C1 ZINC000009796040 555513424 /nfs/dbraw/zinc/51/34/24/555513424.db2.gz AQPKEAGADUPNAC-QGZVFWFLSA-N 1 1 479.603 0.444 50 0 JCAAMO NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)C1 ZINC000009796040 555513422 /nfs/dbraw/zinc/51/34/22/555513422.db2.gz AQPKEAGADUPNAC-QGZVFWFLSA-N 1 1 479.603 0.444 50 0 JCAAMO CN(C(=O)C[N@@H+](C)Cc1ccc2c(c1)OCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009950429 195033254 /nfs/dbraw/zinc/03/32/54/195033254.db2.gz FIICAVCMIIFMBY-UHFFFAOYSA-N 1 1 451.483 0.991 50 0 JCAAMO CN(C(=O)C[N@H+](C)Cc1ccc2c(c1)OCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009950429 195033251 /nfs/dbraw/zinc/03/32/51/195033251.db2.gz FIICAVCMIIFMBY-UHFFFAOYSA-N 1 1 451.483 0.991 50 0 JCAAMO CCc1cccc(OC[C@H](O)Cn2c3c(nc2N2CC[NH+](C)CC2)n(C)c(=O)n(C)c3=O)c1 ZINC000010274023 555669663 /nfs/dbraw/zinc/66/96/63/555669663.db2.gz FFXVLCJZEPOQLT-QGZVFWFLSA-N 1 1 456.547 0.188 50 0 JCAAMO CCc1cccc(OC[C@@H](O)Cn2c3c(nc2N2CC[NH+](C)CC2)n(C)c(=O)n(C)c3=O)c1 ZINC000010274025 555669687 /nfs/dbraw/zinc/66/96/87/555669687.db2.gz FFXVLCJZEPOQLT-KRWDZBQOSA-N 1 1 456.547 0.188 50 0 JCAAMO Cc1ccc(OC[C@H](O)Cn2c3c(nc2N2CC[NH+](C)CC2)n(C)c(=O)n(C)c3=O)cc1C ZINC000010274162 555669938 /nfs/dbraw/zinc/66/99/38/555669938.db2.gz DBHPKKGZWCPDLA-QGZVFWFLSA-N 1 1 456.547 0.242 50 0 JCAAMO Cc1ccc(OC[C@@H](O)Cn2c3c(nc2N2CC[NH+](C)CC2)n(C)c(=O)n(C)c3=O)cc1C ZINC000010274163 555670026 /nfs/dbraw/zinc/67/00/26/555670026.db2.gz DBHPKKGZWCPDLA-KRWDZBQOSA-N 1 1 456.547 0.242 50 0 JCAAMO COc1cc(=O)n2c(c1C(=O)N1CCNC(=O)C1)CC[N@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000012196209 1069519854 /nfs/dbraw/zinc/51/98/54/1069519854.db2.gz PZIVAKZSZUJYKW-KRWDZBQOSA-N 1 1 496.564 0.895 50 0 JCAAMO COc1cc(=O)n2c(c1C(=O)N1CCNC(=O)C1)CC[N@H+](C[C@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000012196212 1069519691 /nfs/dbraw/zinc/51/96/91/1069519691.db2.gz PZIVAKZSZUJYKW-QGZVFWFLSA-N 1 1 496.564 0.895 50 0 JCAAMO CC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1 ZINC000012509550 521670260 /nfs/dbraw/zinc/67/02/60/521670260.db2.gz VSQGJNFLXPGJPB-UHFFFAOYSA-N 1 1 452.577 0.322 50 0 JCAAMO O=C(CN1CCN(C(=O)C2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)CC1)Nc1cccc(F)c1 ZINC000012568946 556070280 /nfs/dbraw/zinc/07/02/80/556070280.db2.gz GEQPQODZTAWORD-HXUWFJFHSA-N 1 1 466.579 0.808 50 0 JCAAMO O=C(CN1CCN(C(=O)C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)CC1)Nc1cccc(F)c1 ZINC000012568947 556070225 /nfs/dbraw/zinc/07/02/25/556070225.db2.gz GEQPQODZTAWORD-FQEVSTJZSA-N 1 1 466.579 0.808 50 0 JCAAMO Cc1cccc(C[NH+]2CCN(C(=O)CN(C)CC(=O)N3CCN(c4ncccn4)CC3)CC2)c1 ZINC000012746248 195102722 /nfs/dbraw/zinc/10/27/22/195102722.db2.gz CUTGCEMVWVQIQM-UHFFFAOYSA-N 1 1 465.602 0.710 50 0 JCAAMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000012779417 195123202 /nfs/dbraw/zinc/12/32/02/195123202.db2.gz ZPKKTXHHACDDNL-RTBURBONSA-N 1 1 486.660 0.717 50 0 JCAAMO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000012779421 195123462 /nfs/dbraw/zinc/12/34/62/195123462.db2.gz ZPKKTXHHACDDNL-MOPGFXCFSA-N 1 1 486.660 0.717 50 0 JCAAMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000012779425 195123612 /nfs/dbraw/zinc/12/36/12/195123612.db2.gz ZPKKTXHHACDDNL-RBUKOAKNSA-N 1 1 486.660 0.717 50 0 JCAAMO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000012779430 195123490 /nfs/dbraw/zinc/12/34/90/195123490.db2.gz ZPKKTXHHACDDNL-OALUTQOASA-N 1 1 486.660 0.717 50 0 JCAAMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012933031 556149356 /nfs/dbraw/zinc/14/93/56/556149356.db2.gz NNOLHSAJTXFHAH-UHFFFAOYSA-N 1 1 494.614 0.481 50 0 JCAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CC1 ZINC000012983939 556177323 /nfs/dbraw/zinc/17/73/23/556177323.db2.gz PDWQBYHAPFWWEK-GOSISDBHSA-N 1 1 466.604 0.707 50 0 JCAAMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CC1 ZINC000012983941 556177287 /nfs/dbraw/zinc/17/72/87/556177287.db2.gz PDWQBYHAPFWWEK-SFHVURJKSA-N 1 1 466.604 0.707 50 0 JCAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000013098142 556296481 /nfs/dbraw/zinc/29/64/81/556296481.db2.gz YPONUXHCKOWEBG-MRXNPFEDSA-N 1 1 452.577 0.835 50 0 JCAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000013098143 556296790 /nfs/dbraw/zinc/29/67/90/556296790.db2.gz YPONUXHCKOWEBG-INIZCTEOSA-N 1 1 452.577 0.835 50 0 JCAAMO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cccs2)cc1 ZINC000013371172 555391977 /nfs/dbraw/zinc/39/19/77/555391977.db2.gz GTBFQRSBCYCAQH-GJZGRUSLSA-N 1 1 464.612 0.167 50 0 JCAAMO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013371529 555392275 /nfs/dbraw/zinc/39/22/75/555392275.db2.gz CBKWDMPMRPKSOS-ROUUACIJSA-N 1 1 476.573 0.245 50 0 JCAAMO COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000013371719 555392675 /nfs/dbraw/zinc/39/26/75/555392675.db2.gz HNVILRXINBMFNG-OALUTQOASA-N 1 1 488.609 0.114 50 0 JCAAMO Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ccc1F ZINC000013371883 555392580 /nfs/dbraw/zinc/39/25/80/555392580.db2.gz PTJADZRCLHIMHH-OALUTQOASA-N 1 1 490.600 0.553 50 0 JCAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3cc(F)ccc3NC2=O)cc1 ZINC000013540613 521485294 /nfs/dbraw/zinc/48/52/94/521485294.db2.gz MDQTWHNXRPHRNC-SYSFZUQMSA-N 1 1 480.452 0.803 50 0 JCAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@]21c2cc(Br)ccc2NC1=O ZINC000013573572 555512083 /nfs/dbraw/zinc/51/20/83/555512083.db2.gz VEYPKXUHAPDKGR-OUFKLWKOSA-N 1 1 465.304 0.081 50 0 JCAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Br)cc32)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000013591777 555526516 /nfs/dbraw/zinc/52/65/16/555526516.db2.gz WNPFGAVXXPRJPL-JICMKPTNSA-N 1 1 477.315 0.224 50 0 JCAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Br)cc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000013592169 555526820 /nfs/dbraw/zinc/52/68/20/555526820.db2.gz QZJXOAXJLCTDBY-WBTDVSTBSA-N 1 1 464.316 0.729 50 0 JCAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Br)cc32)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000013592171 555526869 /nfs/dbraw/zinc/52/68/69/555526869.db2.gz QZJXOAXJLCTDBY-BTQNRAKYSA-N 1 1 464.316 0.729 50 0 JCAAMO CCn1cc(C(=O)N[C@@H](C)C(=O)NCCC[NH+]2CCOCC2)c(=O)c2cc3c(cc21)OCO3 ZINC000013609483 555532852 /nfs/dbraw/zinc/53/28/52/555532852.db2.gz MEXSAIYBLBYHMM-HNNXBMFYSA-N 1 1 458.515 0.707 50 0 JCAAMO CCn1cc(C(=O)NCCC(=O)NCCC[NH+]2CCOCC2)c(=O)c2cc3c(cc21)OCO3 ZINC000013629231 555540862 /nfs/dbraw/zinc/54/08/62/555540862.db2.gz OTCHHYSVYWVRBR-UHFFFAOYSA-N 1 1 458.515 0.709 50 0 JCAAMO COc1cc2c(cc1OC)CN1C(=O)N(CCC(=O)NCCC[NH+]3CCOCC3)C(=O)[C@@H]1C2 ZINC000013687923 555581131 /nfs/dbraw/zinc/58/11/31/555581131.db2.gz SUPFRSNBWFJTLO-SFHVURJKSA-N 1 1 460.531 0.621 50 0 JCAAMO Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1CC[NH+]1CCOCC1 ZINC000013777806 555617469 /nfs/dbraw/zinc/61/74/69/555617469.db2.gz LYYGUCVLEFIPLD-UHFFFAOYSA-N 1 1 453.547 0.561 50 0 JCAAMO CCOC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N3CC[NH+](CC)CC3)CC2)cc1 ZINC000014246550 555749762 /nfs/dbraw/zinc/74/97/62/555749762.db2.gz XXRFFJSLXLNDBZ-SFHVURJKSA-N 1 1 466.604 0.722 50 0 JCAAMO CCOC(=O)c1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N3CC[NH+](CC)CC3)CC2)cc1 ZINC000014246551 555749643 /nfs/dbraw/zinc/74/96/43/555749643.db2.gz XXRFFJSLXLNDBZ-GOSISDBHSA-N 1 1 466.604 0.722 50 0 JCAAMO Cn1cc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1C(N)=O ZINC000014253738 555755652 /nfs/dbraw/zinc/75/56/52/555755652.db2.gz FKMFGZYCYDATEK-UHFFFAOYSA-N 1 1 473.599 0.869 50 0 JCAAMO COc1ccc(C[N@H+]2C[C@@H](CN3CCOCC3)C[C@@H](C(=O)NCCN3CCNC3=O)C2)cc1OC ZINC000014533424 555821705 /nfs/dbraw/zinc/82/17/05/555821705.db2.gz HNNVEZDNDCBAIR-NHCUHLMSSA-N 1 1 489.617 0.616 50 0 JCAAMO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCN3CCNC3=O)C[N@@H+](Cc3nccn3C)C2)cn1 ZINC000014753494 1070739008 /nfs/dbraw/zinc/73/90/08/1070739008.db2.gz WJIZYTHOSDDNDW-RBUKOAKNSA-N 1 1 455.563 0.782 50 0 JCAAMO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCN3CCNC3=O)C[N@H+](Cc3nccn3C)C2)cn1 ZINC000014753494 1070738996 /nfs/dbraw/zinc/73/89/96/1070738996.db2.gz WJIZYTHOSDDNDW-RBUKOAKNSA-N 1 1 455.563 0.782 50 0 JCAAMO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCOCC3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000015319899 555897562 /nfs/dbraw/zinc/89/75/62/555897562.db2.gz HDJCUHTXLWMGAP-ZBBFOALVSA-N 1 1 488.544 0.880 50 0 JCAAMO CC1=C(C(=O)NCCC[NH+]2CCOCC2)C2(CCN(S(=O)(=O)c3cccs3)CC2)OC1=O ZINC000015731381 555974474 /nfs/dbraw/zinc/97/44/74/555974474.db2.gz QZQWKNZTKQGMSN-UHFFFAOYSA-N 1 1 483.612 0.983 50 0 biogenic JCAAMO CC[NH+]1CCN(C(=O)[C@@H]2Cc3cc(S(=O)(=O)N4CCOCC4)ccc3N2C(C)=O)CC1 ZINC000015775729 555994294 /nfs/dbraw/zinc/99/42/94/555994294.db2.gz VQWGKDGIESHTSP-FQEVSTJZSA-N 1 1 450.561 0.149 50 0 JCAAMO CC[NH+]1CCN(C(=O)[C@H]2Cc3cc(S(=O)(=O)N4CCOCC4)ccc3N2C(C)=O)CC1 ZINC000015775731 555994250 /nfs/dbraw/zinc/99/42/50/555994250.db2.gz VQWGKDGIESHTSP-HXUWFJFHSA-N 1 1 450.561 0.149 50 0 JCAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)NCCC[NH+]1CCOCC1)N2C(C)=O ZINC000015775960 555995266 /nfs/dbraw/zinc/99/52/66/555995266.db2.gz QWLNKICEIZMFRD-OAQYLSRUSA-N 1 1 466.604 0.833 50 0 JCAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCCC[NH+]1CCOCC1)N2C(C)=O ZINC000015775961 555995277 /nfs/dbraw/zinc/99/52/77/555995277.db2.gz QWLNKICEIZMFRD-NRFANRHFSA-N 1 1 466.604 0.833 50 0 JCAAMO Cc1nn(CC(=O)NC(C)(C)C)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000015865868 556042390 /nfs/dbraw/zinc/04/23/90/556042390.db2.gz QCOXBKBBJLBWET-UHFFFAOYSA-N 1 1 482.651 0.589 50 0 JCAAMO Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000015865887 556042785 /nfs/dbraw/zinc/04/27/85/556042785.db2.gz RBMFCVWCQJOECR-UHFFFAOYSA-N 1 1 480.635 0.297 50 0 JCAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)nn(CC(=O)N4CCCC4)c3C)CC2)CC1 ZINC000015865891 556042831 /nfs/dbraw/zinc/04/28/31/556042831.db2.gz PFCKCTOITYNOEQ-UHFFFAOYSA-N 1 1 494.662 0.687 50 0 JCAAMO O=C1CCCN1CCCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000015868795 556046663 /nfs/dbraw/zinc/04/66/63/556046663.db2.gz LSBAUYZJMFMTFH-UHFFFAOYSA-N 1 1 493.051 0.578 50 0 JCAAMO O=C1CCCN1CCCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000015868796 556046760 /nfs/dbraw/zinc/04/67/60/556046760.db2.gz HISVNKLUDHOYSG-UHFFFAOYSA-N 1 1 476.596 0.064 50 0 JCAAMO Cc1ccc(S(=O)(=O)N(CCCN2CCCC2=O)CCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000015868799 556046751 /nfs/dbraw/zinc/04/67/51/556046751.db2.gz IBQKMXBSHYGRIP-UHFFFAOYSA-N 1 1 472.633 0.233 50 0 JCAAMO COc1ccc(OC)c(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C[C@@H]2CCCO2)c1 ZINC000015868885 556047114 /nfs/dbraw/zinc/04/71/14/556047114.db2.gz FQBCXDZLRSLPCY-KRWDZBQOSA-N 1 1 477.605 0.109 50 0 JCAAMO COc1ccc(OC)c(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C[C@H]2CCCO2)c1 ZINC000015868886 556047095 /nfs/dbraw/zinc/04/70/95/556047095.db2.gz FQBCXDZLRSLPCY-QGZVFWFLSA-N 1 1 477.605 0.109 50 0 JCAAMO COCCCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000015868967 556047580 /nfs/dbraw/zinc/04/75/80/556047580.db2.gz CJUXKHVOKRRLQL-UHFFFAOYSA-N 1 1 484.438 0.711 50 0 JCAAMO C[C@@H]1CCCC[N@H+]1CCN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000015868999 556047884 /nfs/dbraw/zinc/04/78/84/556047884.db2.gz LZBUATWDAVLEMK-GOSISDBHSA-N 1 1 476.640 0.926 50 0 JCAAMO C[C@H]1CCCC[N@H+]1CCN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000015869000 556048060 /nfs/dbraw/zinc/04/80/60/556048060.db2.gz LZBUATWDAVLEMK-SFHVURJKSA-N 1 1 476.640 0.926 50 0 JCAAMO CC(=O)Nc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCC[NH+]3CCOCC3)[C@@H]4C2=O)cc1 ZINC000015905466 556062735 /nfs/dbraw/zinc/06/27/35/556062735.db2.gz MJJUIBIAKDGWHS-GECPAALWSA-N 1 1 454.527 0.770 50 0 JCAAMO CC(=O)Nc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCC[NH+]3CCOCC3)[C@@H]4C2=O)cc1 ZINC000015905468 556062805 /nfs/dbraw/zinc/06/28/05/556062805.db2.gz MJJUIBIAKDGWHS-OOICKAIWSA-N 1 1 454.527 0.770 50 0 JCAAMO CC(=O)Nc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCC[NH+]3CCOCC3)[C@H]4C2=O)cc1 ZINC000015905469 556062767 /nfs/dbraw/zinc/06/27/67/556062767.db2.gz MJJUIBIAKDGWHS-IUBSTNSRSA-N 1 1 454.527 0.770 50 0 JCAAMO CC(=O)Nc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCC[NH+]3CCOCC3)[C@H]4C2=O)cc1 ZINC000015905470 556062721 /nfs/dbraw/zinc/06/27/21/556062721.db2.gz MJJUIBIAKDGWHS-MDAIXWLXSA-N 1 1 454.527 0.770 50 0 JCAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc32)C1 ZINC000015944095 556080184 /nfs/dbraw/zinc/08/01/84/556080184.db2.gz FNCOTTGNHYDPJI-GOSISDBHSA-N 1 1 494.614 0.671 50 0 JCAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc32)C1 ZINC000015944098 556080171 /nfs/dbraw/zinc/08/01/71/556080171.db2.gz FNCOTTGNHYDPJI-SFHVURJKSA-N 1 1 494.614 0.671 50 0 JCAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3ccccc3NC2=O)cc1 ZINC000015957138 556089068 /nfs/dbraw/zinc/08/90/68/556089068.db2.gz NHSFAHCJYKDUMS-DOGKRZLPSA-N 1 1 462.462 0.664 50 0 biogenic JCAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(c3ccc(C(N)=O)cc3)C(=O)[C@H]21 ZINC000015958452 556089898 /nfs/dbraw/zinc/08/98/98/556089898.db2.gz SFUCAXVKIFFVGA-PCQCASEHSA-N 1 1 481.896 0.548 50 0 biogenic JCAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(c3ccc(C(N)=O)cc3)C(=O)[C@H]21 ZINC000015958453 556089991 /nfs/dbraw/zinc/08/99/91/556089991.db2.gz SFUCAXVKIFFVGA-LHZHZUFTSA-N 1 1 481.896 0.548 50 0 biogenic JCAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(c3ccc(C(N)=O)cc3)C(=O)[C@H]21 ZINC000015958454 556089941 /nfs/dbraw/zinc/08/99/41/556089941.db2.gz SFUCAXVKIFFVGA-UNNNGVNHSA-N 1 1 481.896 0.548 50 0 biogenic JCAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(c3ccc(C(N)=O)cc3)C(=O)[C@H]21 ZINC000015958455 556089928 /nfs/dbraw/zinc/08/99/28/556089928.db2.gz SFUCAXVKIFFVGA-JPXDGAFASA-N 1 1 481.896 0.548 50 0 biogenic JCAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(c4ccc(C(N)=O)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000015958801 556090194 /nfs/dbraw/zinc/09/01/94/556090194.db2.gz PVHFXTHSKZOUDZ-PCQCASEHSA-N 1 1 481.896 0.548 50 0 biogenic JCAAMO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(c4ccc(C(N)=O)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000015958802 556090177 /nfs/dbraw/zinc/09/01/77/556090177.db2.gz PVHFXTHSKZOUDZ-LHZHZUFTSA-N 1 1 481.896 0.548 50 0 biogenic JCAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(c4ccc(C(N)=O)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000015958803 556090242 /nfs/dbraw/zinc/09/02/42/556090242.db2.gz PVHFXTHSKZOUDZ-UNNNGVNHSA-N 1 1 481.896 0.548 50 0 biogenic JCAAMO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(c4ccc(C(N)=O)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000015958804 556090780 /nfs/dbraw/zinc/09/07/80/556090780.db2.gz PVHFXTHSKZOUDZ-JPXDGAFASA-N 1 1 481.896 0.548 50 0 biogenic JCAAMO Cc1ccc2c(c1)[C@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015959513 556091410 /nfs/dbraw/zinc/09/14/10/556091410.db2.gz YVLKSAGVVMHXOC-RXYORGTDSA-N 1 1 462.462 0.520 50 0 biogenic JCAAMO Cc1ccc2c(c1)[C@@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015959514 556091471 /nfs/dbraw/zinc/09/14/71/556091471.db2.gz YVLKSAGVVMHXOC-ODSAXCBOSA-N 1 1 462.462 0.520 50 0 biogenic JCAAMO Cc1ccc2c(c1)[C@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015959515 556091508 /nfs/dbraw/zinc/09/15/08/556091508.db2.gz YVLKSAGVVMHXOC-BNVGKWPLSA-N 1 1 462.462 0.520 50 0 biogenic JCAAMO Cc1ccc2c(c1)[C@@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015959516 556091491 /nfs/dbraw/zinc/09/14/91/556091491.db2.gz YVLKSAGVVMHXOC-DRKJMRBYSA-N 1 1 462.462 0.520 50 0 biogenic JCAAMO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015959595 556091537 /nfs/dbraw/zinc/09/15/37/556091537.db2.gz ILPWWHYUYRVBOG-YVMWEGPTSA-N 1 1 476.489 0.828 50 0 biogenic JCAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015959596 556091357 /nfs/dbraw/zinc/09/13/57/556091357.db2.gz ILPWWHYUYRVBOG-LJZUKVSMSA-N 1 1 476.489 0.828 50 0 biogenic JCAAMO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015959597 556091517 /nfs/dbraw/zinc/09/15/17/556091517.db2.gz ILPWWHYUYRVBOG-SJFBNKFASA-N 1 1 476.489 0.828 50 0 biogenic JCAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015959598 556091830 /nfs/dbraw/zinc/09/18/30/556091830.db2.gz ILPWWHYUYRVBOG-SDMYACPNSA-N 1 1 476.489 0.828 50 0 biogenic JCAAMO NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000015968014 556094158 /nfs/dbraw/zinc/09/41/58/556094158.db2.gz ORHJVSMPORUHHI-QAZBASSKSA-N 1 1 482.880 0.865 50 0 biogenic JCAAMO NC(=O)C[C@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000015968016 556094197 /nfs/dbraw/zinc/09/41/97/556094197.db2.gz ORHJVSMPORUHHI-ZJSSWPMKSA-N 1 1 482.880 0.865 50 0 biogenic JCAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000015968018 556094222 /nfs/dbraw/zinc/09/42/22/556094222.db2.gz ORHJVSMPORUHHI-LQLRRWIKSA-N 1 1 482.880 0.865 50 0 biogenic JCAAMO NC(=O)C[C@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000015968020 556094212 /nfs/dbraw/zinc/09/42/12/556094212.db2.gz ORHJVSMPORUHHI-XVEWNQGGSA-N 1 1 482.880 0.865 50 0 biogenic JCAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015968256 556094630 /nfs/dbraw/zinc/09/46/30/556094630.db2.gz RFEYWZJTNQNLBB-YVMWEGPTSA-N 1 1 476.489 0.828 50 0 biogenic JCAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015968258 556094604 /nfs/dbraw/zinc/09/46/04/556094604.db2.gz RFEYWZJTNQNLBB-LJZUKVSMSA-N 1 1 476.489 0.828 50 0 biogenic JCAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015968259 556094561 /nfs/dbraw/zinc/09/45/61/556094561.db2.gz RFEYWZJTNQNLBB-SJFBNKFASA-N 1 1 476.489 0.828 50 0 biogenic JCAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015968261 556094552 /nfs/dbraw/zinc/09/45/52/556094552.db2.gz RFEYWZJTNQNLBB-SDMYACPNSA-N 1 1 476.489 0.828 50 0 biogenic JCAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015968753 556094989 /nfs/dbraw/zinc/09/49/89/556094989.db2.gz QYBRQEWQFOTARW-YVMWEGPTSA-N 1 1 476.489 0.774 50 0 biogenic JCAAMO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015968755 556095000 /nfs/dbraw/zinc/09/50/00/556095000.db2.gz QYBRQEWQFOTARW-LJZUKVSMSA-N 1 1 476.489 0.774 50 0 biogenic JCAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015968757 556094927 /nfs/dbraw/zinc/09/49/27/556094927.db2.gz QYBRQEWQFOTARW-SJFBNKFASA-N 1 1 476.489 0.774 50 0 biogenic JCAAMO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015968759 556094963 /nfs/dbraw/zinc/09/49/63/556094963.db2.gz QYBRQEWQFOTARW-SDMYACPNSA-N 1 1 476.489 0.774 50 0 biogenic JCAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3cccc(C)c3NC2=O)cc1OC ZINC000015969213 556095364 /nfs/dbraw/zinc/09/53/64/556095364.db2.gz KJDHFVIVMXGJFJ-WYMULPSZSA-N 1 1 492.532 0.851 50 0 biogenic JCAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3cccc(C)c3NC2=O)cc1OC ZINC000015969215 556095237 /nfs/dbraw/zinc/09/52/37/556095237.db2.gz KJDHFVIVMXGJFJ-CPVJYWEUSA-N 1 1 492.532 0.851 50 0 biogenic JCAAMO NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000015969404 556095284 /nfs/dbraw/zinc/09/52/84/556095284.db2.gz NIFBNRWDNNIMEZ-ASLVLFSISA-N 1 1 482.880 0.865 50 0 biogenic JCAAMO NC(=O)C[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000015969405 556095294 /nfs/dbraw/zinc/09/52/94/556095294.db2.gz NIFBNRWDNNIMEZ-HHYGYBFDSA-N 1 1 482.880 0.865 50 0 biogenic JCAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000015969407 556095212 /nfs/dbraw/zinc/09/52/12/556095212.db2.gz NIFBNRWDNNIMEZ-IJFYOMKJSA-N 1 1 482.880 0.865 50 0 biogenic JCAAMO NC(=O)C[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000015969409 556095358 /nfs/dbraw/zinc/09/53/58/556095358.db2.gz NIFBNRWDNNIMEZ-TUAQQPIHSA-N 1 1 482.880 0.865 50 0 biogenic JCAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Br)cc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000015971878 556096990 /nfs/dbraw/zinc/09/69/90/556096990.db2.gz WNPFGAVXXPRJPL-IQHVAJKOSA-N 1 1 477.315 0.224 50 0 JCAAMO C[C@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 ZINC000015972845 525839961 /nfs/dbraw/zinc/83/99/61/525839961.db2.gz QZJXOAXJLCTDBY-RJUAOLPHSA-N 1 1 464.316 0.729 50 0 JCAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3cc(F)ccc3NC2=O)cc1 ZINC000016012300 556111238 /nfs/dbraw/zinc/11/12/38/556111238.db2.gz MDQTWHNXRPHRNC-BKJGLDIHSA-N 1 1 480.452 0.803 50 0 JCAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3cc(F)ccc3NC2=O)cc1 ZINC000016012302 556111317 /nfs/dbraw/zinc/11/13/17/556111317.db2.gz MDQTWHNXRPHRNC-DOGKRZLPSA-N 1 1 480.452 0.803 50 0 JCAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3cc(F)ccc3NC2=O)cc1 ZINC000016020491 556113320 /nfs/dbraw/zinc/11/33/20/556113320.db2.gz FBQKBKMMUCIWNI-NZQNYPKQSA-N 1 1 452.442 0.630 50 0 JCAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3cc(F)ccc3NC2=O)cc1 ZINC000016020493 556113247 /nfs/dbraw/zinc/11/32/47/556113247.db2.gz FBQKBKMMUCIWNI-FAODYONGSA-N 1 1 452.442 0.630 50 0 JCAAMO C[C@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000016021266 556113735 /nfs/dbraw/zinc/11/37/35/556113735.db2.gz ICZRAHXRTKGLJB-GZVLXINJSA-N 1 1 453.426 0.856 50 0 JCAAMO C[C@H](O)[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000016021269 556113729 /nfs/dbraw/zinc/11/37/29/556113729.db2.gz ICZRAHXRTKGLJB-ZERPAEFPSA-N 1 1 453.426 0.856 50 0 JCAAMO NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000016021416 556114025 /nfs/dbraw/zinc/11/40/25/556114025.db2.gz YPBAJBNYNPBYHS-ASLVLFSISA-N 1 1 466.425 0.350 50 0 JCAAMO NC(=O)C[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000016021418 556113959 /nfs/dbraw/zinc/11/39/59/556113959.db2.gz YPBAJBNYNPBYHS-HHYGYBFDSA-N 1 1 466.425 0.350 50 0 JCAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000016021420 556114117 /nfs/dbraw/zinc/11/41/17/556114117.db2.gz YPBAJBNYNPBYHS-IJFYOMKJSA-N 1 1 466.425 0.350 50 0 JCAAMO NC(=O)C[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000016021422 556114006 /nfs/dbraw/zinc/11/40/06/556114006.db2.gz YPBAJBNYNPBYHS-TUAQQPIHSA-N 1 1 466.425 0.350 50 0 JCAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3cc(F)ccc3NC2=O)cc1OC ZINC000016022214 556114741 /nfs/dbraw/zinc/11/47/41/556114741.db2.gz OZXQHHMXGUAIRH-FAELBMERSA-N 1 1 496.495 0.681 50 0 JCAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3cc(F)ccc3NC2=O)cc1OC ZINC000016022215 556114710 /nfs/dbraw/zinc/11/47/10/556114710.db2.gz OZXQHHMXGUAIRH-KAMWDBRHSA-N 1 1 496.495 0.681 50 0 JCAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@@]21c2cc(Br)ccc2NC1=O ZINC000016022272 556114671 /nfs/dbraw/zinc/11/46/71/556114671.db2.gz VEYPKXUHAPDKGR-IBWPGLOJSA-N 1 1 465.304 0.081 50 0 JCAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@@]21c2cc(Br)ccc2NC1=O ZINC000016022273 556115054 /nfs/dbraw/zinc/11/50/54/556115054.db2.gz VEYPKXUHAPDKGR-WGDDSDEBSA-N 1 1 465.304 0.081 50 0 JCAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3cc(C)ccc3NC2=O)cc1OC ZINC000016032961 556117042 /nfs/dbraw/zinc/11/70/42/556117042.db2.gz IVYVMUFWZXLWBC-WGXFTBGVSA-N 1 1 492.532 0.851 50 0 biogenic JCAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3cc(C)ccc3NC2=O)cc1OC ZINC000016032962 556117047 /nfs/dbraw/zinc/11/70/47/556117047.db2.gz IVYVMUFWZXLWBC-OQGNEYSTSA-N 1 1 492.532 0.851 50 0 biogenic JCAAMO CCc1ccc2c(c1)[C@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000016032987 556117003 /nfs/dbraw/zinc/11/70/03/556117003.db2.gz RRKLNWQPVHKBCB-DTHKZBPFSA-N 1 1 476.489 0.774 50 0 biogenic JCAAMO CCc1ccc2c(c1)[C@@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000016032988 556116949 /nfs/dbraw/zinc/11/69/49/556116949.db2.gz RRKLNWQPVHKBCB-KAMWDBRHSA-N 1 1 476.489 0.774 50 0 biogenic JCAAMO CCc1ccc2c(c1)[C@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000016032989 556117036 /nfs/dbraw/zinc/11/70/36/556117036.db2.gz RRKLNWQPVHKBCB-IJUKNHKESA-N 1 1 476.489 0.774 50 0 biogenic JCAAMO CCc1ccc2c(c1)[C@@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000016032990 556117072 /nfs/dbraw/zinc/11/70/72/556117072.db2.gz RRKLNWQPVHKBCB-FAELBMERSA-N 1 1 476.489 0.774 50 0 biogenic JCAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 ZINC000017169707 556230796 /nfs/dbraw/zinc/23/07/96/556230796.db2.gz ZBGFNORBDNOSTJ-IBGZPJMESA-N 1 1 467.519 0.888 50 0 JCAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 ZINC000017169709 556230792 /nfs/dbraw/zinc/23/07/92/556230792.db2.gz ZBGFNORBDNOSTJ-LJQANCHMSA-N 1 1 467.519 0.888 50 0 JCAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1 ZINC000017190260 556236249 /nfs/dbraw/zinc/23/62/49/556236249.db2.gz VTZJGTWDYIVINL-XMMPIXPASA-N 1 1 480.613 0.900 50 0 JCAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1 ZINC000017190265 556236237 /nfs/dbraw/zinc/23/62/37/556236237.db2.gz VTZJGTWDYIVINL-DEOSSOPVSA-N 1 1 480.613 0.900 50 0 JCAAMO O=C1C[C@H](NC[C@@H]2CCCO2)C(=O)N1c1ccc(N2C(=O)C[C@H]([NH2+]C[C@H]3CCCO3)C2=O)cc1 ZINC000017994762 556275078 /nfs/dbraw/zinc/27/50/78/556275078.db2.gz KYPHOZMXVGYCBW-YRPNKDGESA-N 1 1 470.526 0.488 50 0 JCAAMO O=C1C[C@H](NC[C@H]2CCCO2)C(=O)N1c1ccc(N2C(=O)C[C@H]([NH2+]C[C@@H]3CCCO3)C2=O)cc1 ZINC000017994762 556275075 /nfs/dbraw/zinc/27/50/75/556275075.db2.gz KYPHOZMXVGYCBW-YRPNKDGESA-N 1 1 470.526 0.488 50 0 JCAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)C1 ZINC000019078576 556329668 /nfs/dbraw/zinc/32/96/68/556329668.db2.gz UOQBBAXTQWBMMX-KRWDZBQOSA-N 1 1 496.659 0.471 50 0 JCAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)C1 ZINC000019078579 556329684 /nfs/dbraw/zinc/32/96/84/556329684.db2.gz UOQBBAXTQWBMMX-QGZVFWFLSA-N 1 1 496.659 0.471 50 0 JCAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)CC1 ZINC000019078852 556329734 /nfs/dbraw/zinc/32/97/34/556329734.db2.gz MHFXHFACBNLHNV-OAHLLOKOSA-N 1 1 452.606 0.550 50 0 JCAAMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)CC1 ZINC000019078857 556329662 /nfs/dbraw/zinc/32/96/62/556329662.db2.gz MHFXHFACBNLHNV-HNNXBMFYSA-N 1 1 452.606 0.550 50 0 JCAAMO O=C(C[C@@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O)N1CC[NH+](CCO)CC1 ZINC000019643062 556359367 /nfs/dbraw/zinc/35/93/67/556359367.db2.gz LUAHTBBUQDXOCO-DEOSSOPVSA-N 1 1 454.502 0.944 50 0 JCAAMO O=C(C[C@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O)N1CC[NH+](CCO)CC1 ZINC000019643067 556359324 /nfs/dbraw/zinc/35/93/24/556359324.db2.gz LUAHTBBUQDXOCO-XMMPIXPASA-N 1 1 454.502 0.944 50 0 JCAAMO CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](C[NH+]3CCOCC3)[C@H]1[C@@H]2OC(C)=O ZINC000019703320 556360658 /nfs/dbraw/zinc/36/06/58/556360658.db2.gz KVLRJOGIOLEIDD-JNUAGQPNSA-N 1 1 453.532 0.767 50 0 biogenic JCAAMO CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](C[NH+]3CCOCC3)[C@H]1[C@@H]2OC(C)=O ZINC000019703322 556360702 /nfs/dbraw/zinc/36/07/02/556360702.db2.gz KVLRJOGIOLEIDD-RSQUBLDASA-N 1 1 453.532 0.767 50 0 biogenic JCAAMO CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](C[NH+]3CCOCC3)[C@H]1[C@@H]2OC(C)=O ZINC000019703324 556360717 /nfs/dbraw/zinc/36/07/17/556360717.db2.gz KVLRJOGIOLEIDD-DUUHSWNQSA-N 1 1 453.532 0.767 50 0 biogenic JCAAMO CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](C[NH+]3CCOCC3)[C@H]1[C@@H]2OC(C)=O ZINC000019703326 556360653 /nfs/dbraw/zinc/36/06/53/556360653.db2.gz KVLRJOGIOLEIDD-KIOXUHQCSA-N 1 1 453.532 0.767 50 0 biogenic JCAAMO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000019796924 556374902 /nfs/dbraw/zinc/37/49/02/556374902.db2.gz UKFLOAFVUYTPFJ-ROUUACIJSA-N 1 1 458.583 0.106 50 0 JCAAMO Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000019797019 556374829 /nfs/dbraw/zinc/37/48/29/556374829.db2.gz DUXHCXCCQRWIQD-OALUTQOASA-N 1 1 472.610 0.414 50 0 JCAAMO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000019797264 556374928 /nfs/dbraw/zinc/37/49/28/556374928.db2.gz HJZIOPJUPDIMMB-ROUUACIJSA-N 1 1 493.028 0.759 50 0 JCAAMO Cn1c2ncn(C[C@@H](O)C[NH+]3CCN(CCCSc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000019801839 556378612 /nfs/dbraw/zinc/37/86/12/556378612.db2.gz JTOUASWUIMAMAD-SFHVURJKSA-N 1 1 472.615 0.595 50 0 in-man JCAAMO Cn1c2ncn(C[C@H](O)C[NH+]3CCN(CCCSc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000019801842 556378627 /nfs/dbraw/zinc/37/86/27/556378627.db2.gz JTOUASWUIMAMAD-GOSISDBHSA-N 1 1 472.615 0.595 50 0 in-man JCAAMO C[NH+]1CCN([C@@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c2ccco2)CC1 ZINC000019819045 556387353 /nfs/dbraw/zinc/38/73/53/556387353.db2.gz WKXBGZZVDXUXTC-SFHVURJKSA-N 1 1 482.584 0.613 50 0 JCAAMO C[NH+]1CCN([C@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c2ccco2)CC1 ZINC000019819048 556387257 /nfs/dbraw/zinc/38/72/57/556387257.db2.gz WKXBGZZVDXUXTC-GOSISDBHSA-N 1 1 482.584 0.613 50 0 JCAAMO CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000019820960 556391084 /nfs/dbraw/zinc/39/10/84/556391084.db2.gz PIWNUWDUFGFVFW-PMACEKPBSA-N 1 1 486.637 0.668 50 0 JCAAMO O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000020064264 555624513 /nfs/dbraw/zinc/62/45/13/555624513.db2.gz IZYRKRGBBYZPFT-NRFANRHFSA-N 1 1 493.564 0.889 50 0 JCAAMO O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000020064265 555624542 /nfs/dbraw/zinc/62/45/42/555624542.db2.gz IZYRKRGBBYZPFT-OAQYLSRUSA-N 1 1 493.564 0.889 50 0 JCAAMO Cc1sc2ncn(CC(=O)NCCCC(=O)NCCC[NH+]3CCN(C)CC3)c(=O)c2c1C ZINC000020103902 555635895 /nfs/dbraw/zinc/63/58/95/555635895.db2.gz CLNXZDSCQJTUKL-UHFFFAOYSA-N 1 1 462.620 0.725 50 0 JCAAMO CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)NCCC[NH+]4CCOCC4)c(=O)c3c2)CC1 ZINC000020104573 555637092 /nfs/dbraw/zinc/63/70/92/555637092.db2.gz XSSOORVPXCSYAH-UHFFFAOYSA-N 1 1 491.614 0.656 50 0 JCAAMO COc1ccc(-n2nc(C(=O)NCC(=O)NCCC[NH+]3CCOCC3)c3ccccc3c2=O)cc1 ZINC000020107272 555640834 /nfs/dbraw/zinc/64/08/34/555640834.db2.gz PSFYNSXWTFYOIK-UHFFFAOYSA-N 1 1 479.537 0.963 50 0 JCAAMO O=C(CNC(=S)N(CCCN1CCOCC1)Cc1cccs1)NCCC[NH+]1CCOCC1 ZINC000020107523 555641259 /nfs/dbraw/zinc/64/12/59/555641259.db2.gz VLGNEDDFYNKMFQ-UHFFFAOYSA-N 1 1 483.704 0.985 50 0 JCAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000020216105 527671268 /nfs/dbraw/zinc/67/12/68/527671268.db2.gz SESCCNKXCDTBME-OAHLLOKOSA-N 1 1 453.590 0.931 50 0 JCAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000020216107 555712190 /nfs/dbraw/zinc/71/21/90/555712190.db2.gz SESCCNKXCDTBME-HNNXBMFYSA-N 1 1 453.590 0.931 50 0 JCAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000020279541 555750208 /nfs/dbraw/zinc/75/02/08/555750208.db2.gz DRTWVKWXOWSVHJ-MRXNPFEDSA-N 1 1 466.560 0.033 50 0 JCAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000020279546 555750328 /nfs/dbraw/zinc/75/03/28/555750328.db2.gz DRTWVKWXOWSVHJ-INIZCTEOSA-N 1 1 466.560 0.033 50 0 JCAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000020279600 555750629 /nfs/dbraw/zinc/75/06/29/555750629.db2.gz CQFPPTSPVUPXBP-QGZVFWFLSA-N 1 1 480.587 0.424 50 0 JCAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000020279605 555750640 /nfs/dbraw/zinc/75/06/40/555750640.db2.gz CQFPPTSPVUPXBP-KRWDZBQOSA-N 1 1 480.587 0.424 50 0 JCAAMO C[N@@H+](CCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21)C1CCCCC1 ZINC000020279612 555750677 /nfs/dbraw/zinc/75/06/77/555750677.db2.gz VBHCGVSSYXIJDN-UHFFFAOYSA-N 1 1 494.614 0.814 50 0 JCAAMO O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc21)NCCC[NH+]1CCOCC1 ZINC000020279669 555750599 /nfs/dbraw/zinc/75/05/99/555750599.db2.gz ZCFLXHNJRJDGKG-UHFFFAOYSA-N 1 1 466.560 0.035 50 0 JCAAMO O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)NCCC[NH+]1CCOCC1 ZINC000020279750 555750664 /nfs/dbraw/zinc/75/06/64/555750664.db2.gz ARWWIHAALTXMLH-UHFFFAOYSA-N 1 1 494.614 0.815 50 0 JCAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000020286750 555755118 /nfs/dbraw/zinc/75/51/18/555755118.db2.gz BMSIDNLZSRBWTO-CALCHBBNSA-N 1 1 493.630 0.342 50 0 JCAAMO Cn1c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCC[NH+]4CCOCC4)C3)cc2oc1=O ZINC000020327340 555773645 /nfs/dbraw/zinc/77/36/45/555773645.db2.gz GQGQBKUBZCBMPQ-MRXNPFEDSA-N 1 1 466.560 0.371 50 0 JCAAMO Cn1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)NCCC[NH+]4CCOCC4)C3)cc2oc1=O ZINC000020327348 555773844 /nfs/dbraw/zinc/77/38/44/555773844.db2.gz GQGQBKUBZCBMPQ-INIZCTEOSA-N 1 1 466.560 0.371 50 0 JCAAMO Cn1c2nc(CN3CC[NH+](CCO)CC3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000020330500 555775876 /nfs/dbraw/zinc/77/58/76/555775876.db2.gz MLJLBAWSOLFFDJ-UHFFFAOYSA-N 1 1 462.554 0.745 50 0 JCAAMO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCC[NH+]2CCOCC2)C(=O)CO3)CC1 ZINC000020355148 555782728 /nfs/dbraw/zinc/78/27/28/555782728.db2.gz MZFBEYSRDDZYIT-UHFFFAOYSA-N 1 1 494.614 0.671 50 0 JCAAMO CC[NH+]1CCN(C(=O)CN2c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3OCC2=O)CC1 ZINC000020355149 555782739 /nfs/dbraw/zinc/78/27/39/555782739.db2.gz PKUPKPZVFDGQCF-UHFFFAOYSA-N 1 1 464.588 0.997 50 0 JCAAMO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CC[NH+](C)CC2)C(=O)CO3)CC1 ZINC000020355484 555783592 /nfs/dbraw/zinc/78/35/92/555783592.db2.gz OTVDVDLTZIEVEI-UHFFFAOYSA-N 1 1 450.561 0.607 50 0 JCAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCCC[NH+]1CCOCC1)C(=O)CS2 ZINC000020355645 555784154 /nfs/dbraw/zinc/78/41/54/555784154.db2.gz PDUCIHQDBMERGG-UHFFFAOYSA-N 1 1 484.644 0.994 50 0 JCAAMO COc1cc2oc(=O)c(CC(=O)N3CCN(CC(=O)N4CC[NH+](C)CC4)CC3)c(C)c2cc1OC ZINC000020426548 523070137 /nfs/dbraw/zinc/07/01/37/523070137.db2.gz JVQWJUJIEXOIQP-UHFFFAOYSA-N 1 1 486.569 0.579 50 0 JCAAMO CCN1CC[NH+](CCCNC(=O)Cn2ncn3nc(-c4ccc(OC)cc4)cc3c2=O)CC1 ZINC000020466398 521681345 /nfs/dbraw/zinc/68/13/45/521681345.db2.gz VHPZAFRWQFGCOU-UHFFFAOYSA-N 1 1 453.547 0.710 50 0 JCAAMO Cc1ccc(OC[C@@H](O)Cn2c(NCCC[NH+]3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000020479328 525431811 /nfs/dbraw/zinc/43/18/11/525431811.db2.gz DIWIFZYVEWODCR-KRWDZBQOSA-N 1 1 472.546 0.718 50 0 JCAAMO Cc1ccc(OC[C@H](O)Cn2c(NCCC[NH+]3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000020479331 525437929 /nfs/dbraw/zinc/43/79/29/525437929.db2.gz DIWIFZYVEWODCR-QGZVFWFLSA-N 1 1 472.546 0.718 50 0 JCAAMO Cc1cccc(OC[C@@H](O)Cn2c(NCCC[NH+]3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000020502524 524759726 /nfs/dbraw/zinc/75/97/26/524759726.db2.gz PVSXSXVIOFDOIQ-KRWDZBQOSA-N 1 1 472.546 0.718 50 0 JCAAMO Cc1cccc(OC[C@H](O)Cn2c(NCCC[NH+]3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000020502526 524766291 /nfs/dbraw/zinc/76/62/91/524766291.db2.gz PVSXSXVIOFDOIQ-QGZVFWFLSA-N 1 1 472.546 0.718 50 0 JCAAMO Cn1c2nc(N3CC[NH+](CCO)CC3)n(C[C@@H](O)COc3ccc4ccccc4c3)c2c(=O)[nH]c1=O ZINC000020503128 527121202 /nfs/dbraw/zinc/12/12/02/527121202.db2.gz NQWNJXDWXVLUJO-LJQANCHMSA-N 1 1 494.552 0.131 50 0 JCAAMO Cn1c2nc(N3CC[NH+](CCO)CC3)n(C[C@H](O)COc3ccc4ccccc4c3)c2c(=O)[nH]c1=O ZINC000020503129 527121749 /nfs/dbraw/zinc/12/17/49/527121749.db2.gz NQWNJXDWXVLUJO-IBGZPJMESA-N 1 1 494.552 0.131 50 0 JCAAMO Cn1c2nc(N3CC[NH+](CCO)CC3)n(CCSc3nc4ccccc4s3)c2c(=O)[nH]c1=O ZINC000020503292 527121404 /nfs/dbraw/zinc/12/14/04/527121404.db2.gz NVNYMUOORYFAIX-UHFFFAOYSA-N 1 1 487.611 0.940 50 0 aggregator JCAAMO Cn1c2nc(CN3CC[NH+](CCO)CC3)n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000020519149 527119648 /nfs/dbraw/zinc/11/96/48/527119648.db2.gz BHQXUYZCHYVPKG-UHFFFAOYSA-N 1 1 464.929 0.384 50 0 JCAAMO CC[NH+]1CCN(C(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCOCC4)cc32)CC1 ZINC000020530145 555796370 /nfs/dbraw/zinc/79/63/70/555796370.db2.gz OSFLRSUDLKQONX-UHFFFAOYSA-N 1 1 468.601 0.310 50 0 JCAAMO Cn1c2nc(N3CC[NH+](CCO)CC3)n(CCSc3nc4ccccc4o3)c2c(=O)n(C)c1=O ZINC000020533186 555804609 /nfs/dbraw/zinc/80/46/09/555804609.db2.gz NKSBYJAYMSRSJX-UHFFFAOYSA-N 1 1 485.570 0.482 50 0 JCAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3cc(F)ccc3NC2=O)cc1 ZINC000020533270 555804452 /nfs/dbraw/zinc/80/44/52/555804452.db2.gz MDQTWHNXRPHRNC-NARGUJOISA-N 1 1 480.452 0.803 50 0 JCAAMO Cn1c2nc(CN3CC[NH+](CCO)CC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000020533389 555805008 /nfs/dbraw/zinc/80/50/08/555805008.db2.gz NWKKJPDVIRHXDP-UHFFFAOYSA-N 1 1 481.384 0.899 50 0 JCAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3cc(F)ccc3NC2=O)cc1 ZINC000020546431 555806174 /nfs/dbraw/zinc/80/61/74/555806174.db2.gz FBQKBKMMUCIWNI-YQYRJILISA-N 1 1 452.442 0.630 50 0 JCAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3cc(F)ccc3NC2=O)cc1 ZINC000020546433 555806317 /nfs/dbraw/zinc/80/63/17/555806317.db2.gz FBQKBKMMUCIWNI-QYUDBREXSA-N 1 1 452.442 0.630 50 0 JCAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3cc(F)ccc3NC2=O)cc1OC ZINC000020565843 555820170 /nfs/dbraw/zinc/82/01/70/555820170.db2.gz OZXQHHMXGUAIRH-IJUKNHKESA-N 1 1 496.495 0.681 50 0 JCAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3cc(F)ccc3NC2=O)cc1OC ZINC000020565845 555820092 /nfs/dbraw/zinc/82/00/92/555820092.db2.gz OZXQHHMXGUAIRH-DTHKZBPFSA-N 1 1 496.495 0.681 50 0 JCAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@]21c2cc(Br)ccc2NC1=O ZINC000020565981 555820248 /nfs/dbraw/zinc/82/02/48/555820248.db2.gz VEYPKXUHAPDKGR-NFWAQSGPSA-N 1 1 465.304 0.081 50 0 JCAAMO C[C@@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Br)cc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000020572498 555824212 /nfs/dbraw/zinc/82/42/12/555824212.db2.gz QZJXOAXJLCTDBY-UCAPYPHUSA-N 1 1 464.316 0.729 50 0 JCAAMO C[C@@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Br)cc32)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000020572503 555824097 /nfs/dbraw/zinc/82/40/97/555824097.db2.gz QZJXOAXJLCTDBY-PNEHTFGWSA-N 1 1 464.316 0.729 50 0 JCAAMO C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NCCC[NH+]1CCOCC1 ZINC000020572900 555824600 /nfs/dbraw/zinc/82/46/00/555824600.db2.gz MPCDDLVJPWDMPH-SFHVURJKSA-N 1 1 466.604 0.431 50 0 JCAAMO COC(=O)C1=C(N)Oc2cc(C)n(CCC[NH+]3CCOCC3)c(=O)c2[C@]12c1ccccc1NC2=O ZINC000020573374 555825311 /nfs/dbraw/zinc/82/53/11/555825311.db2.gz XTZKLEYJSQEMCA-RUZDIDTESA-N 1 1 480.521 0.853 50 0 JCAAMO COC(=O)C1=C(N)Oc2cc(C)n(CCC[NH+]3CCOCC3)c(=O)c2[C@@]12c1ccccc1NC2=O ZINC000020573376 555825202 /nfs/dbraw/zinc/82/52/02/555825202.db2.gz XTZKLEYJSQEMCA-VWLOTQADSA-N 1 1 480.521 0.853 50 0 JCAAMO CC[NH+]1CCN(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000020578584 555833624 /nfs/dbraw/zinc/83/36/24/555833624.db2.gz XQPADHNALGFUNJ-UHFFFAOYSA-N 1 1 487.648 0.221 50 0 JCAAMO CCN1c2ccc(Br)cc2[C@@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)C1=O ZINC000020592237 555838674 /nfs/dbraw/zinc/83/86/74/555838674.db2.gz JNBOFRKNCRNCQY-MRXNPFEDSA-N 1 1 453.337 0.811 50 0 JCAAMO Cc1ccccc1[C@@]1(CC(=O)N2CC[NH+](CCC(N)=O)CC2)CC(=O)N(Cc2cccnc2)C1=O ZINC000020599796 555841368 /nfs/dbraw/zinc/84/13/68/555841368.db2.gz ZXZVNMXDRJRIAD-AREMUKBSSA-N 1 1 477.565 0.997 50 0 JCAAMO Cc1ccccc1[C@]1(CC(=O)N2CC[NH+](CCC(N)=O)CC2)CC(=O)N(Cc2cccnc2)C1=O ZINC000020599797 555841259 /nfs/dbraw/zinc/84/12/59/555841259.db2.gz ZXZVNMXDRJRIAD-SANMLTNESA-N 1 1 477.565 0.997 50 0 JCAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3cc(C)ccc3NC2=O)cc1OC ZINC000020612192 195186025 /nfs/dbraw/zinc/18/60/25/195186025.db2.gz IVYVMUFWZXLWBC-WUABMQKPSA-N 1 1 492.532 0.851 50 0 biogenic JCAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3cc(C)ccc3NC2=O)cc1OC ZINC000020612194 195185904 /nfs/dbraw/zinc/18/59/04/195185904.db2.gz IVYVMUFWZXLWBC-OFCWLIIESA-N 1 1 492.532 0.851 50 0 biogenic JCAAMO COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)NCCC[NH+]1CCOCC1)c2=O ZINC000020616767 195188349 /nfs/dbraw/zinc/18/83/49/195188349.db2.gz RJNLYKIHQNLZQF-UHFFFAOYSA-N 1 1 460.531 0.875 50 0 JCAAMO CN1CC[NH+](CCCNC(=O)c2ccc(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)CC1 ZINC000020618058 195189846 /nfs/dbraw/zinc/18/98/46/195189846.db2.gz OCXUJYAQWNRPTG-MSOLQXFVSA-N 1 1 451.618 0.734 50 0 JCAAMO CN1CC[NH+](CCCNC(=O)c2ccc(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)cc2)CC1 ZINC000020618059 195190028 /nfs/dbraw/zinc/19/00/28/195190028.db2.gz OCXUJYAQWNRPTG-ROUUACIJSA-N 1 1 451.618 0.734 50 0 JCAAMO CN1CC[NH+](CCCNC(=O)c2ccc(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)CC1 ZINC000020618060 195189857 /nfs/dbraw/zinc/18/98/57/195189857.db2.gz OCXUJYAQWNRPTG-QZTJIDSGSA-N 1 1 451.618 0.734 50 0 JCAAMO CN1CC[NH+](CCCNC(=O)c2ccc(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)cc2)CC1 ZINC000020618061 195189982 /nfs/dbraw/zinc/18/99/82/195189982.db2.gz OCXUJYAQWNRPTG-ZWKOTPCHSA-N 1 1 451.618 0.734 50 0 JCAAMO O=C(CCNC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)NCCC[NH+]1CCOCC1 ZINC000020647091 195195337 /nfs/dbraw/zinc/19/53/37/195195337.db2.gz YPOHKVODHPLKGS-UHFFFAOYSA-N 1 1 470.574 0.864 50 0 JCAAMO C[NH+]1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000020676877 195201693 /nfs/dbraw/zinc/20/16/93/195201693.db2.gz FKKXDKUBUUGGDG-INIZCTEOSA-N 1 1 452.353 0.352 50 0 JCAAMO C[NH+]1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000020676882 195201705 /nfs/dbraw/zinc/20/17/05/195201705.db2.gz FKKXDKUBUUGGDG-MRXNPFEDSA-N 1 1 452.353 0.352 50 0 JCAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000020688720 195205587 /nfs/dbraw/zinc/20/55/87/195205587.db2.gz YGCXQYCXNVATOP-UHFFFAOYSA-N 1 1 492.642 0.957 50 0 JCAAMO COc1cc2ncn(CC(=O)NCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)c2cc1OC ZINC000020736392 195213064 /nfs/dbraw/zinc/21/30/64/195213064.db2.gz HDQPGQCOQQGPHS-UHFFFAOYSA-N 1 1 479.537 0.874 50 0 JCAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3cccc(C)c3NC2=O)cc1OC ZINC000020755864 195215861 /nfs/dbraw/zinc/21/58/61/195215861.db2.gz KJDHFVIVMXGJFJ-GPNHVJLWSA-N 1 1 492.532 0.851 50 0 biogenic JCAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3cccc(C)c3NC2=O)cc1OC ZINC000020755868 195215827 /nfs/dbraw/zinc/21/58/27/195215827.db2.gz KJDHFVIVMXGJFJ-FKRWJQPVSA-N 1 1 492.532 0.851 50 0 biogenic JCAAMO CC[NH+]1CCN(C(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3OCC2=O)CC1 ZINC000020923169 195248621 /nfs/dbraw/zinc/24/86/21/195248621.db2.gz SFHUUOZYFQDZPJ-UHFFFAOYSA-N 1 1 450.561 0.751 50 0 JCAAMO C[NH+]1CCN(C(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCCCC4)cc32)CC1 ZINC000020923362 195248632 /nfs/dbraw/zinc/24/86/32/195248632.db2.gz AQCHDRRQPGUSJB-UHFFFAOYSA-N 1 1 450.561 0.751 50 0 JCAAMO COc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[NH+]4CCN(C)CC4)nc(C)n3n2)cc1 ZINC000021017981 195267008 /nfs/dbraw/zinc/26/70/08/195267008.db2.gz OVUDOSPIVHXDAZ-UHFFFAOYSA-N 1 1 453.547 0.629 50 0 JCAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000021022232 195267929 /nfs/dbraw/zinc/26/79/29/195267929.db2.gz BEEURVALCPNSMH-OAQYLSRUSA-N 1 1 464.588 0.587 50 0 JCAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000021022239 195267959 /nfs/dbraw/zinc/26/79/59/195267959.db2.gz BEEURVALCPNSMH-NRFANRHFSA-N 1 1 464.588 0.587 50 0 JCAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000021022372 195267813 /nfs/dbraw/zinc/26/78/13/195267813.db2.gz CKHGYXRORDZZKO-QFIPXVFZSA-N 1 1 477.631 0.502 50 0 JCAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000021022380 195267886 /nfs/dbraw/zinc/26/78/86/195267886.db2.gz CKHGYXRORDZZKO-JOCHJYFZSA-N 1 1 477.631 0.502 50 0 JCAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000021022956 195268166 /nfs/dbraw/zinc/26/81/66/195268166.db2.gz IFRKOPNLRNDVOI-JOCHJYFZSA-N 1 1 478.615 0.977 50 0 JCAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000021022965 195268115 /nfs/dbraw/zinc/26/81/15/195268115.db2.gz IFRKOPNLRNDVOI-QFIPXVFZSA-N 1 1 478.615 0.977 50 0 JCAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(CN3CC(=O)N4CSC[C@@H]4C3=O)cc2)CC1 ZINC000021530105 195308605 /nfs/dbraw/zinc/30/86/05/195308605.db2.gz VUYBBJRNOBSICB-HXUWFJFHSA-N 1 1 459.616 0.688 50 0 JCAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(CN3CC(=O)N4CSC[C@H]4C3=O)cc2)CC1 ZINC000021530107 195308696 /nfs/dbraw/zinc/30/86/96/195308696.db2.gz VUYBBJRNOBSICB-FQEVSTJZSA-N 1 1 459.616 0.688 50 0 JCAAMO CN1CC[NH+](CCCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCCC2)N(C)C3=O)CC1 ZINC000021530878 195309188 /nfs/dbraw/zinc/30/91/88/195309188.db2.gz UPBRWVWOYSZSDH-RUZDIDTESA-N 1 1 487.649 0.934 50 0 JCAAMO CN1CC[NH+](CCCNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCCC2)N(C)C3=O)CC1 ZINC000021530879 195309137 /nfs/dbraw/zinc/30/91/37/195309137.db2.gz UPBRWVWOYSZSDH-VWLOTQADSA-N 1 1 487.649 0.934 50 0 JCAAMO CC(C)CCNC(=O)[C@@]1(C)Cn2nc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2C(=O)N1C ZINC000021530973 195309373 /nfs/dbraw/zinc/30/93/73/195309373.db2.gz SZECGYFNTDOXPT-HSZRJFAPSA-N 1 1 461.611 0.257 50 0 JCAAMO CC(C)CCNC(=O)[C@]1(C)Cn2nc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2C(=O)N1C ZINC000021530975 195309393 /nfs/dbraw/zinc/30/93/93/195309393.db2.gz SZECGYFNTDOXPT-QHCPKHFHSA-N 1 1 461.611 0.257 50 0 JCAAMO CCN1C(=O)c2cc(C(=O)NCCC[NH+]3CCOCC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021530996 195309404 /nfs/dbraw/zinc/30/94/04/195309404.db2.gz AUWXSDWHFZJAKU-QHCPKHFHSA-N 1 1 460.579 0.628 50 0 JCAAMO CCN1C(=O)c2cc(C(=O)NCCC[NH+]3CCOCC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021530998 195309400 /nfs/dbraw/zinc/30/94/00/195309400.db2.gz AUWXSDWHFZJAKU-HSZRJFAPSA-N 1 1 460.579 0.628 50 0 JCAAMO CC(C)Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CCN(C)CC2)cc1 ZINC000021534349 195310523 /nfs/dbraw/zinc/31/05/23/195310523.db2.gz KDZONOAMZGFUQI-UHFFFAOYSA-N 1 1 479.691 0.945 50 0 JCAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)n[nH]2)CC1 ZINC000021806483 521669190 /nfs/dbraw/zinc/66/91/90/521669190.db2.gz QDVRMJAVNKSFGX-UHFFFAOYSA-N 1 1 463.560 0.884 50 0 JCAAMO CN1CC[NH+](CCCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCC2)N(C)C3=O)CC1 ZINC000021874367 523896266 /nfs/dbraw/zinc/89/62/66/523896266.db2.gz SVNPRUBCFARYMX-HSZRJFAPSA-N 1 1 459.595 0.154 50 0 JCAAMO CN1CC[NH+](CCCNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCC2)N(C)C3=O)CC1 ZINC000021874370 523896462 /nfs/dbraw/zinc/89/64/62/523896462.db2.gz SVNPRUBCFARYMX-QHCPKHFHSA-N 1 1 459.595 0.154 50 0 JCAAMO CCN1CC[NH+](CCCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCC2)N(C)C3=O)CC1 ZINC000021874390 521681269 /nfs/dbraw/zinc/68/12/69/521681269.db2.gz WPDRXOSUCHSNAV-XMMPIXPASA-N 1 1 473.622 0.544 50 0 JCAAMO CCN1CC[NH+](CCCNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCC2)N(C)C3=O)CC1 ZINC000021874393 521681500 /nfs/dbraw/zinc/68/15/00/521681500.db2.gz WPDRXOSUCHSNAV-DEOSSOPVSA-N 1 1 473.622 0.544 50 0 JCAAMO CCN1CC[NH+](CCCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(C)C3=O)CC1 ZINC000021875018 521681305 /nfs/dbraw/zinc/68/13/05/521681305.db2.gz VXSZITQGFKQJJZ-RUZDIDTESA-N 1 1 487.649 0.934 50 0 JCAAMO CCN1CC[NH+](CCCNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N(C)C3=O)CC1 ZINC000021875021 521680716 /nfs/dbraw/zinc/68/07/16/521680716.db2.gz VXSZITQGFKQJJZ-VWLOTQADSA-N 1 1 487.649 0.934 50 0 JCAAMO CN1C(=O)c2cc(C(=O)NCCC[NH+]3CCOCC3)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021876104 523727282 /nfs/dbraw/zinc/72/72/82/523727282.db2.gz KDSQNVLEQWDWIN-DEOSSOPVSA-N 1 1 468.558 0.496 50 0 JCAAMO CN1C(=O)c2cc(C(=O)NCCC[NH+]3CCOCC3)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021876109 523728729 /nfs/dbraw/zinc/72/87/29/523728729.db2.gz KDSQNVLEQWDWIN-XMMPIXPASA-N 1 1 468.558 0.496 50 0 JCAAMO CN1CC[NH+](CCCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2)N(C)C3=O)CC1 ZINC000021876221 523896835 /nfs/dbraw/zinc/89/68/35/523896835.db2.gz WLAHBNYFAKMELC-RUZDIDTESA-N 1 1 481.601 0.411 50 0 JCAAMO CN1CC[NH+](CCCNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2)N(C)C3=O)CC1 ZINC000021876225 523896501 /nfs/dbraw/zinc/89/65/01/523896501.db2.gz WLAHBNYFAKMELC-VWLOTQADSA-N 1 1 481.601 0.411 50 0 JCAAMO CN1C(=O)c2cc(C(=O)NCCC[NH+]3CCOCC3)nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000021876591 523728605 /nfs/dbraw/zinc/72/86/05/523728605.db2.gz UWDODEYCHXMQGU-DEOSSOPVSA-N 1 1 486.548 0.635 50 0 JCAAMO CN1C(=O)c2cc(C(=O)NCCC[NH+]3CCOCC3)nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000021876594 523727581 /nfs/dbraw/zinc/72/75/81/523727581.db2.gz UWDODEYCHXMQGU-XMMPIXPASA-N 1 1 486.548 0.635 50 0 JCAAMO CC[NH+]1CCN(C(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)CC1 ZINC000021876903 521670278 /nfs/dbraw/zinc/67/02/78/521670278.db2.gz WHMAKBUZYUIGLP-HSZRJFAPSA-N 1 1 456.522 0.961 50 0 JCAAMO CC[NH+]1CCN(C(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)CC1 ZINC000021876907 521669889 /nfs/dbraw/zinc/66/98/89/521669889.db2.gz WHMAKBUZYUIGLP-QHCPKHFHSA-N 1 1 456.522 0.961 50 0 JCAAMO CCN1C(=O)c2cc(C(=O)NCCC[NH+]3CCN(C)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877529 521536222 /nfs/dbraw/zinc/53/62/22/521536222.db2.gz RQRHOSZQDXWHMN-DEOSSOPVSA-N 1 1 473.622 0.544 50 0 JCAAMO CCN1C(=O)c2cc(C(=O)NCCC[NH+]3CCN(C)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877531 521536305 /nfs/dbraw/zinc/53/63/05/521536305.db2.gz RQRHOSZQDXWHMN-XMMPIXPASA-N 1 1 473.622 0.544 50 0 JCAAMO CCCN1C(=O)c2cc(C(=O)NCCC[NH+]3CCN(C)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877744 521702568 /nfs/dbraw/zinc/70/25/68/521702568.db2.gz UUAAPFSLXTVBPU-VWLOTQADSA-N 1 1 487.649 0.934 50 0 JCAAMO CCCN1C(=O)c2cc(C(=O)NCCC[NH+]3CCN(C)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877746 521702613 /nfs/dbraw/zinc/70/26/13/521702613.db2.gz UUAAPFSLXTVBPU-RUZDIDTESA-N 1 1 487.649 0.934 50 0 JCAAMO CCN1CC[NH+](CCCNC(=O)C2=C(C)C(=O)OC23CCN(S(=O)(=O)CC)CC3)CC1 ZINC000021887780 195325468 /nfs/dbraw/zinc/32/54/68/195325468.db2.gz ZBLHMRZTSZJWFY-UHFFFAOYSA-N 1 1 456.609 0.188 50 0 biogenic JCAAMO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000021936202 195336550 /nfs/dbraw/zinc/33/65/50/195336550.db2.gz RBGCFPFQJOJGFJ-UHFFFAOYSA-N 1 1 474.583 0.815 50 0 JCAAMO CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCCC[NH+]1CCOCC1)C(=O)[C@H]1CCCCN21 ZINC000021942043 195339426 /nfs/dbraw/zinc/33/94/26/195339426.db2.gz OQTSVNZAKNHZMR-HXUWFJFHSA-N 1 1 457.575 0.932 50 0 JCAAMO CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCCC[NH+]1CCOCC1)C(=O)[C@@H]1CCCCN21 ZINC000021942046 195339309 /nfs/dbraw/zinc/33/93/09/195339309.db2.gz OQTSVNZAKNHZMR-FQEVSTJZSA-N 1 1 457.575 0.932 50 0 JCAAMO CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1CCCCN21 ZINC000021942142 195339294 /nfs/dbraw/zinc/33/92/94/195339294.db2.gz CQJCTLZUTFILDI-NRFANRHFSA-N 1 1 470.618 0.848 50 0 JCAAMO CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCCC[NH+]1CCN(C)CC1)C(=O)[C@H]1CCCCN21 ZINC000021942145 195339331 /nfs/dbraw/zinc/33/93/31/195339331.db2.gz CQJCTLZUTFILDI-OAQYLSRUSA-N 1 1 470.618 0.848 50 0 JCAAMO Cn1c2nc(N3CC[NH+](CCO)CC3)n(CCSc3nc4ccccc4o3)c2c(=O)[nH]c1=O ZINC000022460696 527121481 /nfs/dbraw/zinc/12/14/81/527121481.db2.gz GKUAQZUUIMPVRU-UHFFFAOYSA-N 1 1 471.543 0.471 50 0 JCAAMO O[C@@H](COc1ccc2c(c1)OCO2)CN1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000022497046 555930561 /nfs/dbraw/zinc/93/05/61/555930561.db2.gz CCYPMRONAITMHR-QZTJIDSGSA-N 1 1 474.510 0.941 50 0 JCAAMO O[C@@H](COc1ccc2c(c1)OCO2)CN1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000022497050 555930668 /nfs/dbraw/zinc/93/06/68/555930668.db2.gz CCYPMRONAITMHR-HDICACEKSA-N 1 1 474.510 0.941 50 0 JCAAMO O[C@@H](COc1ccc2c(c1)OCO2)C[NH+]1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000022497050 555930664 /nfs/dbraw/zinc/93/06/64/555930664.db2.gz CCYPMRONAITMHR-HDICACEKSA-N 1 1 474.510 0.941 50 0 JCAAMO O[C@H](COc1ccc2c(c1)OCO2)CN1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000022497057 555930540 /nfs/dbraw/zinc/93/05/40/555930540.db2.gz CCYPMRONAITMHR-ROUUACIJSA-N 1 1 474.510 0.941 50 0 JCAAMO Cc1cn2c(nc3c2c(=O)n(CC(=O)OCc2ccccc2)c(=O)n3C)n1CC[NH+]1CCOCC1 ZINC000022530985 525942419 /nfs/dbraw/zinc/94/24/19/525942419.db2.gz REXWENRJYUULRA-UHFFFAOYSA-N 1 1 480.525 0.533 50 0 JCAAMO Cc1cc(C)c(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCC[NH+]2CCOCC2)c(C)c1 ZINC000022628473 524316160 /nfs/dbraw/zinc/31/61/60/524316160.db2.gz IQZRIIUFHYOCMM-HXUWFJFHSA-N 1 1 496.630 0.304 50 0 JCAAMO Cc1cc(C)c(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCC[NH+]2CCOCC2)c(C)c1 ZINC000022628477 524316463 /nfs/dbraw/zinc/31/64/63/524316463.db2.gz IQZRIIUFHYOCMM-FQEVSTJZSA-N 1 1 496.630 0.304 50 0 JCAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000022628539 527669886 /nfs/dbraw/zinc/66/98/86/527669886.db2.gz YGGVGSYIVVINQB-GOSISDBHSA-N 1 1 488.994 0.032 50 0 JCAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000022628544 527669233 /nfs/dbraw/zinc/66/92/33/527669233.db2.gz YGGVGSYIVVINQB-SFHVURJKSA-N 1 1 488.994 0.032 50 0 JCAAMO COc1ccc(OCC[NH+]2CCN(CC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)cc1 ZINC000022793462 524953397 /nfs/dbraw/zinc/95/33/97/524953397.db2.gz OIVQCYRDICZMOS-UHFFFAOYSA-N 1 1 459.547 0.978 50 0 JCAAMO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000022851733 555958528 /nfs/dbraw/zinc/95/85/28/555958528.db2.gz ALRZCUVTXHEFMF-LJQANCHMSA-N 1 1 466.604 0.411 50 0 JCAAMO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000022851736 555958484 /nfs/dbraw/zinc/95/84/84/555958484.db2.gz ALRZCUVTXHEFMF-IBGZPJMESA-N 1 1 466.604 0.411 50 0 JCAAMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000022913182 555968437 /nfs/dbraw/zinc/96/84/37/555968437.db2.gz BTALYDCGOUMXOA-UHFFFAOYSA-N 1 1 498.650 0.047 50 0 JCAAMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000022913182 555968434 /nfs/dbraw/zinc/96/84/34/555968434.db2.gz BTALYDCGOUMXOA-UHFFFAOYSA-N 1 1 498.650 0.047 50 0 JCAAMO COCC[NH+]1CCN(CC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)CC1 ZINC000022913410 555968379 /nfs/dbraw/zinc/96/83/79/555968379.db2.gz QHPIVOZMXADHDF-UHFFFAOYSA-N 1 1 472.590 0.420 50 0 JCAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000022925303 555977292 /nfs/dbraw/zinc/97/72/92/555977292.db2.gz GAJHYOGQEMGKCN-UHFFFAOYSA-N 1 1 495.646 0.568 50 0 JCAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000022925303 555977290 /nfs/dbraw/zinc/97/72/90/555977290.db2.gz GAJHYOGQEMGKCN-UHFFFAOYSA-N 1 1 495.646 0.568 50 0 JCAAMO O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH+](CCO)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000022933495 555985943 /nfs/dbraw/zinc/98/59/43/555985943.db2.gz XHOAWYMFXHQDSS-QHCPKHFHSA-N 1 1 495.580 0.744 50 0 JCAAMO O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](CCO)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000022933497 555985993 /nfs/dbraw/zinc/98/59/93/555985993.db2.gz XHOAWYMFXHQDSS-HSZRJFAPSA-N 1 1 495.580 0.744 50 0 JCAAMO CC1=C(C(=O)NCCC[NH+]2CCN(C)CC2)C2(CCN(S(=O)(=O)c3cccs3)CC2)OC1=O ZINC000022937311 555990055 /nfs/dbraw/zinc/99/00/55/555990055.db2.gz SMIMIZZPOSNFTE-UHFFFAOYSA-N 1 1 496.655 0.898 50 0 biogenic JCAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)N2C(C)=O ZINC000022937772 555990609 /nfs/dbraw/zinc/99/06/09/555990609.db2.gz IKPDIRYRWSKYRJ-JOCHJYFZSA-N 1 1 479.647 0.748 50 0 JCAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)N2C(C)=O ZINC000022937774 555990548 /nfs/dbraw/zinc/99/05/48/555990548.db2.gz IKPDIRYRWSKYRJ-QFIPXVFZSA-N 1 1 479.647 0.748 50 0 JCAAMO CC(C)c1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CCN(C)CC2)cc1 ZINC000022938562 555992394 /nfs/dbraw/zinc/99/23/94/555992394.db2.gz ZVMXXYNAGUQOQX-UHFFFAOYSA-N 1 1 465.664 0.870 50 0 JCAAMO CCc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CCN(C)CC2)cc1 ZINC000022938564 555992219 /nfs/dbraw/zinc/99/22/19/555992219.db2.gz HKUVBMAKQLFVMY-UHFFFAOYSA-N 1 1 451.637 0.309 50 0 JCAAMO Cc1cc(C)c(S(=O)(=O)N(CCN2CCN(C)CC2)CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000022938590 555992240 /nfs/dbraw/zinc/99/22/40/555992240.db2.gz QJFRLEKSETZMJY-UHFFFAOYSA-N 1 1 451.637 0.282 50 0 JCAAMO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+]2CCCN(S(C)(=O)=O)CC2)c1 ZINC000022964251 555994137 /nfs/dbraw/zinc/99/41/37/555994137.db2.gz VBICZSHTUDEWGY-UHFFFAOYSA-N 1 1 467.013 0.886 50 0 JCAAMO COc1ccccc1[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[NH+](C)C ZINC000023108605 556009588 /nfs/dbraw/zinc/00/95/88/556009588.db2.gz CXTPWVDAINRAFX-LJQANCHMSA-N 1 1 460.556 0.848 50 0 JCAAMO COc1ccccc1[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[NH+](C)C ZINC000023108608 556009581 /nfs/dbraw/zinc/00/95/81/556009581.db2.gz CXTPWVDAINRAFX-IBGZPJMESA-N 1 1 460.556 0.848 50 0 JCAAMO CCc1cccc(OC[C@@H](O)Cn2c(NCCC[NH+]3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000023115117 556011926 /nfs/dbraw/zinc/01/19/26/556011926.db2.gz WMWSQZWOLKNGIF-SFHVURJKSA-N 1 1 486.573 0.972 50 0 JCAAMO CCc1cccc(OC[C@H](O)Cn2c(NCCC[NH+]3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000023115119 556011967 /nfs/dbraw/zinc/01/19/67/556011967.db2.gz WMWSQZWOLKNGIF-GOSISDBHSA-N 1 1 486.573 0.972 50 0 JCAAMO COc1ccc(OC[C@@H](O)Cn2c(NCCC[NH+]3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000023115129 556011975 /nfs/dbraw/zinc/01/19/75/556011975.db2.gz XRJUIYUQYGQUBN-INIZCTEOSA-N 1 1 488.545 0.006 50 0 JCAAMO COc1ccc(OC[C@H](O)Cn2c(NCCC[NH+]3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000023115131 556011855 /nfs/dbraw/zinc/01/18/55/556011855.db2.gz XRJUIYUQYGQUBN-MRXNPFEDSA-N 1 1 488.545 0.006 50 0 JCAAMO Cn1c2nc(NCCC[NH+]3CCOCC3)n(C[C@@H](O)COc3ccccc3)c2c(=O)n(C)c1=O ZINC000023115143 556011914 /nfs/dbraw/zinc/01/19/14/556011914.db2.gz LTJPAROGZCCPDD-QGZVFWFLSA-N 1 1 472.546 0.008 50 0 JCAAMO Cn1c2nc(NCCC[NH+]3CCOCC3)n(C[C@H](O)COc3ccccc3)c2c(=O)n(C)c1=O ZINC000023115145 527123609 /nfs/dbraw/zinc/12/36/09/527123609.db2.gz LTJPAROGZCCPDD-KRWDZBQOSA-N 1 1 472.546 0.008 50 0 JCAAMO COc1ccc(-c2noc(CN3CC[NH+](CCCn4c(=O)c5c(ncn5C)n(C)c4=O)CC3)n2)cc1 ZINC000023185610 556029491 /nfs/dbraw/zinc/02/94/91/556029491.db2.gz QSFZGCLDYSTFKZ-UHFFFAOYSA-N 1 1 494.556 0.700 50 0 JCAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000023190333 556030150 /nfs/dbraw/zinc/03/01/50/556030150.db2.gz HKQUQZJCRHHXAM-UHFFFAOYSA-N 1 1 473.603 0.601 50 0 JCAAMO CN1CCN(C[C@H]2C[C@@H](C(=O)NCCN3CCOCC3)C[N@@H+](CCc3ccccc3)C2)CC1 ZINC000023352470 1067895244 /nfs/dbraw/zinc/89/52/44/1067895244.db2.gz UQUXIJAWXFKRDB-JWQCQUIFSA-N 1 1 457.663 0.863 50 0 JCAAMO CN1CCN(C[C@H]2C[C@@H](C(=O)NCCN3CCOCC3)C[N@H+](CCc3ccccc3)C2)CC1 ZINC000023352470 1067895236 /nfs/dbraw/zinc/89/52/36/1067895236.db2.gz UQUXIJAWXFKRDB-JWQCQUIFSA-N 1 1 457.663 0.863 50 0 JCAAMO CN1CCN(C[C@H]2C[C@@H](C(=O)NCCN3CCNC3=O)C[N@@H+](CCc3ccccc3)C2)CC1 ZINC000023353692 1067895289 /nfs/dbraw/zinc/89/52/89/1067895289.db2.gz XTLDYPHTFKGGPI-DHIUTWEWSA-N 1 1 456.635 0.556 50 0 JCAAMO CN1CCN(C[C@H]2C[C@@H](C(=O)NCCN3CCNC3=O)C[N@H+](CCc3ccccc3)C2)CC1 ZINC000023353692 1067895282 /nfs/dbraw/zinc/89/52/82/1067895282.db2.gz XTLDYPHTFKGGPI-DHIUTWEWSA-N 1 1 456.635 0.556 50 0 JCAAMO O=C(C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000023624974 526306384 /nfs/dbraw/zinc/30/63/84/526306384.db2.gz SWKBASDPQFBUJX-GOSISDBHSA-N 1 1 479.628 0.299 50 0 JCAAMO O=C(C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000023624977 556080764 /nfs/dbraw/zinc/08/07/64/556080764.db2.gz SWKBASDPQFBUJX-SFHVURJKSA-N 1 1 479.628 0.299 50 0 JCAAMO CN(CC(=O)N1CCN(C(=O)c2ccco2)CC1)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023732756 556086424 /nfs/dbraw/zinc/08/64/24/556086424.db2.gz HETMKIUEJPGFCY-UHFFFAOYSA-N 1 1 467.570 0.840 50 0 JCAAMO CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000023994838 556115011 /nfs/dbraw/zinc/11/50/11/556115011.db2.gz ARPQOYCJYASLEZ-OAQYLSRUSA-N 1 1 478.615 0.819 50 0 JCAAMO CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000023994840 522507288 /nfs/dbraw/zinc/50/72/88/522507288.db2.gz ARPQOYCJYASLEZ-NRFANRHFSA-N 1 1 478.615 0.819 50 0 JCAAMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000024573566 556136524 /nfs/dbraw/zinc/13/65/24/556136524.db2.gz NCUNSMOJBUIRGH-QGZVFWFLSA-N 1 1 474.605 0.023 50 0 JCAAMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000024573570 556136520 /nfs/dbraw/zinc/13/65/20/556136520.db2.gz NCUNSMOJBUIRGH-KRWDZBQOSA-N 1 1 474.605 0.023 50 0 JCAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000024752165 527572264 /nfs/dbraw/zinc/57/22/64/527572264.db2.gz DXIZIWVMNGROGT-UHFFFAOYSA-N 1 1 464.588 0.572 50 0 JCAAMO O=C(C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000024971834 556166247 /nfs/dbraw/zinc/16/62/47/556166247.db2.gz AWTABJXESLPXRW-OAQYLSRUSA-N 1 1 495.667 0.907 50 0 JCAAMO O=C(C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000024971840 556166269 /nfs/dbraw/zinc/16/62/69/556166269.db2.gz AWTABJXESLPXRW-NRFANRHFSA-N 1 1 495.667 0.907 50 0 JCAAMO O=S(=O)(c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3O)CC2)cc1)N1CCOCC1 ZINC000025329427 556209033 /nfs/dbraw/zinc/20/90/33/556209033.db2.gz FNAQITQLNSNPNB-LJQANCHMSA-N 1 1 477.583 0.975 50 0 JCAAMO O=S(=O)(c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3O)CC2)cc1)N1CCOCC1 ZINC000025329430 556209130 /nfs/dbraw/zinc/20/91/30/556209130.db2.gz FNAQITQLNSNPNB-IBGZPJMESA-N 1 1 477.583 0.975 50 0 JCAAMO O=S(=O)(c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccn3)CC2)cc1)N1CCOCC1 ZINC000025329432 556209000 /nfs/dbraw/zinc/20/90/00/556209000.db2.gz QWKPHIFIDNTLHV-LJQANCHMSA-N 1 1 462.572 0.664 50 0 JCAAMO O=S(=O)(c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccn3)CC2)cc1)N1CCOCC1 ZINC000025329435 556209136 /nfs/dbraw/zinc/20/91/36/556209136.db2.gz QWKPHIFIDNTLHV-IBGZPJMESA-N 1 1 462.572 0.664 50 0 JCAAMO C[C@@H](On1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025390654 556212205 /nfs/dbraw/zinc/21/22/05/556212205.db2.gz AHOLJBPIAVYFLU-QGZVFWFLSA-N 1 1 472.571 0.843 50 0 JCAAMO C[C@H](On1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025390660 556212086 /nfs/dbraw/zinc/21/20/86/556212086.db2.gz AHOLJBPIAVYFLU-KRWDZBQOSA-N 1 1 472.571 0.843 50 0 JCAAMO NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000025518168 556219021 /nfs/dbraw/zinc/21/90/21/556219021.db2.gz NYIRNQZRKQNRKJ-LBPRGKRZSA-N 1 1 479.422 0.730 50 0 JCAAMO NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000025518172 556219032 /nfs/dbraw/zinc/21/90/32/556219032.db2.gz NYIRNQZRKQNRKJ-GFCCVEGCSA-N 1 1 479.422 0.730 50 0 JCAAMO NC(=O)C[NH+]1CCC(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1 ZINC000025602418 556227182 /nfs/dbraw/zinc/22/71/82/556227182.db2.gz PYSZACBAZXAXHL-UHFFFAOYSA-N 1 1 454.457 0.425 50 0 JCAAMO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)C[C@@H](C)O1 ZINC000026193398 556250697 /nfs/dbraw/zinc/25/06/97/556250697.db2.gz XRICRHHIKZCBSP-HUUCEWRRSA-N 1 1 466.564 0.156 50 0 JCAAMO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)C[C@H](C)O1 ZINC000026193402 556250778 /nfs/dbraw/zinc/25/07/78/556250778.db2.gz XRICRHHIKZCBSP-GASCZTMLSA-N 1 1 466.564 0.156 50 0 JCAAMO C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)C[C@H](C)O1 ZINC000026193407 556250735 /nfs/dbraw/zinc/25/07/35/556250735.db2.gz XRICRHHIKZCBSP-GJZGRUSLSA-N 1 1 466.564 0.156 50 0 JCAAMO CC(C)[C@@H](CNC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)[NH+]1CCOCC1 ZINC000026301827 556251799 /nfs/dbraw/zinc/25/17/99/556251799.db2.gz XMTJECWIVBFVGL-LJQANCHMSA-N 1 1 454.593 0.864 50 0 JCAAMO CC(C)[C@H](CNC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)[NH+]1CCOCC1 ZINC000026301831 556251663 /nfs/dbraw/zinc/25/16/63/556251663.db2.gz XMTJECWIVBFVGL-IBGZPJMESA-N 1 1 454.593 0.864 50 0 JCAAMO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000026308184 556252151 /nfs/dbraw/zinc/25/21/51/556252151.db2.gz NBUDGMQFAOITLG-CTNGQTDRSA-N 1 1 482.603 0.244 50 0 JCAAMO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000026308189 556252178 /nfs/dbraw/zinc/25/21/78/556252178.db2.gz NBUDGMQFAOITLG-TZIWHRDSSA-N 1 1 482.603 0.244 50 0 JCAAMO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000026308193 526693657 /nfs/dbraw/zinc/69/36/57/526693657.db2.gz NBUDGMQFAOITLG-FPOVZHCZSA-N 1 1 482.603 0.244 50 0 JCAAMO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000026308197 556252159 /nfs/dbraw/zinc/25/21/59/556252159.db2.gz NBUDGMQFAOITLG-PZJWPPBQSA-N 1 1 482.603 0.244 50 0 JCAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000026308544 556252199 /nfs/dbraw/zinc/25/21/99/556252199.db2.gz BDKGSHOMGYAFCP-QUCCMNQESA-N 1 1 452.577 0.440 50 0 JCAAMO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000026308548 556252175 /nfs/dbraw/zinc/25/21/75/556252175.db2.gz BDKGSHOMGYAFCP-UYAOXDASSA-N 1 1 452.577 0.440 50 0 JCAAMO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000026308551 556252140 /nfs/dbraw/zinc/25/21/40/556252140.db2.gz BDKGSHOMGYAFCP-ICSRJNTNSA-N 1 1 452.577 0.440 50 0 JCAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000026308555 556252182 /nfs/dbraw/zinc/25/21/82/556252182.db2.gz BDKGSHOMGYAFCP-AZUAARDMSA-N 1 1 452.577 0.440 50 0 JCAAMO Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000031811640 556406458 /nfs/dbraw/zinc/40/64/58/556406458.db2.gz OIQLVGFRUNKHBG-GOSISDBHSA-N 1 1 475.571 0.117 50 0 JCAAMO Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000031811649 556406491 /nfs/dbraw/zinc/40/64/91/556406491.db2.gz OIQLVGFRUNKHBG-SFHVURJKSA-N 1 1 475.571 0.117 50 0 JCAAMO COc1ccc(C(=O)NC2CC[NH+](CC(=O)NC3CC3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000032934744 556549822 /nfs/dbraw/zinc/54/98/22/556549822.db2.gz INGNOZRZDXFVJI-UHFFFAOYSA-N 1 1 480.587 0.189 50 0 JCAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)CC1 ZINC000032958624 556573078 /nfs/dbraw/zinc/57/30/78/556573078.db2.gz HBKVITFUKNPNQE-UHFFFAOYSA-N 1 1 450.561 0.891 50 0 JCAAMO C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)CC1 ZINC000032958778 556573785 /nfs/dbraw/zinc/57/37/85/556573785.db2.gz GZULNSVGZOGYID-UHFFFAOYSA-N 1 1 456.952 0.846 50 0 JCAAMO Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)NCCC[NH+]3CCOCC3)CC1)O[C@@H](C)C(=O)N2 ZINC000032958950 556574557 /nfs/dbraw/zinc/57/45/57/556574557.db2.gz XYXXLEFXUNICSH-KRWDZBQOSA-N 1 1 494.614 0.954 50 0 JCAAMO Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)NCCC[NH+]3CCOCC3)CC1)O[C@H](C)C(=O)N2 ZINC000032958951 556574538 /nfs/dbraw/zinc/57/45/38/556574538.db2.gz XYXXLEFXUNICSH-QGZVFWFLSA-N 1 1 494.614 0.954 50 0 JCAAMO Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)N3CC[NH+](C)CC3)CC1)O[C@@H](C)C(=O)N2 ZINC000032958962 556574579 /nfs/dbraw/zinc/57/45/79/556574579.db2.gz WAUIZDLIKMXBDA-HNNXBMFYSA-N 1 1 450.561 0.889 50 0 JCAAMO Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)N3CC[NH+](C)CC3)CC1)O[C@H](C)C(=O)N2 ZINC000032958963 556574840 /nfs/dbraw/zinc/57/48/40/556574840.db2.gz WAUIZDLIKMXBDA-OAHLLOKOSA-N 1 1 450.561 0.889 50 0 JCAAMO Cc1c(N2CCC(C(=O)NCCC[NH+]3CCN(C)CC3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 ZINC000032999337 569613634 /nfs/dbraw/zinc/61/36/34/569613634.db2.gz LNPRBVDBBAAYMK-UHFFFAOYSA-N 1 1 482.629 0.815 50 0 JCAAMO CC[C@@H](C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCC[NH+]3CCOCC3)ccc21 ZINC000033023811 569619603 /nfs/dbraw/zinc/61/96/03/569619603.db2.gz RKANBOLZKPTLIP-MRXNPFEDSA-N 1 1 452.581 0.861 50 0 JCAAMO CC[C@H](C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCC[NH+]3CCOCC3)ccc21 ZINC000033023814 569619641 /nfs/dbraw/zinc/61/96/41/569619641.db2.gz RKANBOLZKPTLIP-INIZCTEOSA-N 1 1 452.581 0.861 50 0 JCAAMO CCN1CC[NH+](CCCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)nnn3C(C)C)CC1 ZINC000033023983 569619783 /nfs/dbraw/zinc/61/97/83/569619783.db2.gz AUGKFQIDCBAGPD-UHFFFAOYSA-N 1 1 465.624 0.777 50 0 JCAAMO Cc1nn(CC(=O)NC(C)(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000033086178 527702055 /nfs/dbraw/zinc/70/20/55/527702055.db2.gz ZRIGRKWNUFQMMB-GOSISDBHSA-N 1 1 482.651 0.589 50 0 JCAAMO Cc1nn(CC(=O)NC(C)(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000033086179 527701855 /nfs/dbraw/zinc/70/18/55/527701855.db2.gz ZRIGRKWNUFQMMB-SFHVURJKSA-N 1 1 482.651 0.589 50 0 JCAAMO Cn1c(=O)cc(N2CCC(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)CC2)n(C)c1=O ZINC000033124323 527029599 /nfs/dbraw/zinc/02/95/99/527029599.db2.gz RQCBYIJCGLNEDA-UHFFFAOYSA-N 1 1 486.592 0.768 50 0 JCAAMO Cn1c(=O)cc(N2CCC(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)n(C)c1=O ZINC000033124326 527029238 /nfs/dbraw/zinc/02/92/38/527029238.db2.gz YNXHPFBAICPBEV-UHFFFAOYSA-N 1 1 489.020 0.892 50 0 JCAAMO Cn1c(=O)cc(N2CCC(C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)CC2)n(C)c1=O ZINC000033124373 527028396 /nfs/dbraw/zinc/02/83/96/527028396.db2.gz NYSNSVPJDRCINQ-UHFFFAOYSA-N 1 1 454.575 0.239 50 0 JCAAMO CCCn1nnc2cc(S(=O)(=O)N3CCC[C@@H]3C(=O)NCCC[NH+]3CCOCC3)ccc21 ZINC000033262910 519897193 /nfs/dbraw/zinc/89/71/93/519897193.db2.gz HHRDLNUZSGDNHH-HXUWFJFHSA-N 1 1 464.592 0.833 50 0 JCAAMO CCCn1nnc2cc(S(=O)(=O)N3CCC[C@H]3C(=O)NCCC[NH+]3CCOCC3)ccc21 ZINC000033262911 519897382 /nfs/dbraw/zinc/89/73/82/519897382.db2.gz HHRDLNUZSGDNHH-FQEVSTJZSA-N 1 1 464.592 0.833 50 0 JCAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCC4)n(C)c3)CC2)CC1 ZINC000033275164 521661897 /nfs/dbraw/zinc/66/18/97/521661897.db2.gz PHYWGKVNYPSFOY-UHFFFAOYSA-N 1 1 465.620 0.826 50 0 JCAAMO Cn1c(=O)cc(N2CCC(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)CC2)n(C)c1=O ZINC000033276893 527028646 /nfs/dbraw/zinc/02/86/46/527028646.db2.gz VRVQGHBVQPXCOI-UHFFFAOYSA-N 1 1 482.629 0.625 50 0 JCAAMO Cc1nc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc(N2CCOCC2)[nH+]1 ZINC000033318439 569623150 /nfs/dbraw/zinc/62/31/50/569623150.db2.gz BJSKJXLTRNDPGC-UHFFFAOYSA-N 1 1 461.544 0.904 50 0 JCAAMO C[NH+]1CCN(C(=O)CCNC(=O)c2cc3n(n2)CCCN(Cc2ccc(F)cc2)C3=O)CC1 ZINC000034676306 569641378 /nfs/dbraw/zinc/64/13/78/569641378.db2.gz CBKJSSFMTSZVMZ-UHFFFAOYSA-N 1 1 456.522 0.962 50 0 JCAAMO O=C(NCc1ccc2c(c1)OCO2)c1coc(CN2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n1 ZINC000034677216 569641745 /nfs/dbraw/zinc/64/17/45/569641745.db2.gz IQHULNKCJHHLOX-IBGZPJMESA-N 1 1 487.557 0.144 50 0 JCAAMO O=C(NCc1ccc2c(c1)OCO2)c1coc(CN2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)n1 ZINC000034677217 569641813 /nfs/dbraw/zinc/64/18/13/569641813.db2.gz IQHULNKCJHHLOX-LJQANCHMSA-N 1 1 487.557 0.144 50 0 JCAAMO O=C(NCc1ccc(F)cc1)c1coc(CN2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n1 ZINC000034677372 569641881 /nfs/dbraw/zinc/64/18/81/569641881.db2.gz NLDMZTSURYHWMR-FQEVSTJZSA-N 1 1 461.538 0.554 50 0 JCAAMO O=C(NCc1ccc(F)cc1)c1coc(CN2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)n1 ZINC000034677373 569641912 /nfs/dbraw/zinc/64/19/12/569641912.db2.gz NLDMZTSURYHWMR-HXUWFJFHSA-N 1 1 461.538 0.554 50 0 JCAAMO COc1ccccc1CCNC(=O)c1coc(CN2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n1 ZINC000034677606 569642009 /nfs/dbraw/zinc/64/20/09/569642009.db2.gz KBPIDBJOFHZTAI-NRFANRHFSA-N 1 1 487.601 0.466 50 0 JCAAMO COc1ccccc1CCNC(=O)c1coc(CN2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)n1 ZINC000034677607 569642026 /nfs/dbraw/zinc/64/20/26/569642026.db2.gz KBPIDBJOFHZTAI-OAQYLSRUSA-N 1 1 487.601 0.466 50 0 JCAAMO O=C(c1coc(CN2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n1)N1CCN(c2ccccc2)CC1 ZINC000034677734 569642087 /nfs/dbraw/zinc/64/20/87/569642087.db2.gz YSAJGYLQPWETQS-QHCPKHFHSA-N 1 1 498.628 0.448 50 0 JCAAMO O=C(c1coc(CN2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)n1)N1CCN(c2ccccc2)CC1 ZINC000034677735 569642080 /nfs/dbraw/zinc/64/20/80/569642080.db2.gz YSAJGYLQPWETQS-HSZRJFAPSA-N 1 1 498.628 0.448 50 0 JCAAMO COc1ccc(NC(=O)c2coc(CN3CC[NH+](C[C@H](O)CN4CCOCC4)CC3)n2)cc1 ZINC000034678417 569642361 /nfs/dbraw/zinc/64/23/61/569642361.db2.gz FKMFDLZVLAIBEF-IBGZPJMESA-N 1 1 459.547 0.746 50 0 JCAAMO COc1ccc(NC(=O)c2coc(CN3CC[NH+](C[C@@H](O)CN4CCOCC4)CC3)n2)cc1 ZINC000034678418 569642433 /nfs/dbraw/zinc/64/24/33/569642433.db2.gz FKMFDLZVLAIBEF-LJQANCHMSA-N 1 1 459.547 0.746 50 0 JCAAMO O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1)N1CCOCC1 ZINC000035355212 569682065 /nfs/dbraw/zinc/68/20/65/569682065.db2.gz LUKYSKZYWMIXHB-NRFANRHFSA-N 1 1 472.586 0.988 50 0 JCAAMO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1)N1CCOCC1 ZINC000035355212 569682064 /nfs/dbraw/zinc/68/20/64/569682064.db2.gz LUKYSKZYWMIXHB-NRFANRHFSA-N 1 1 472.586 0.988 50 0 JCAAMO O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1)N1CCOCC1 ZINC000035355216 569682078 /nfs/dbraw/zinc/68/20/78/569682078.db2.gz LUKYSKZYWMIXHB-OAQYLSRUSA-N 1 1 472.586 0.988 50 0 JCAAMO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1)N1CCOCC1 ZINC000035355216 569682077 /nfs/dbraw/zinc/68/20/77/569682077.db2.gz LUKYSKZYWMIXHB-OAQYLSRUSA-N 1 1 472.586 0.988 50 0 JCAAMO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+]3CCOCC3)C1)OCC(=O)N2 ZINC000035378834 569686072 /nfs/dbraw/zinc/68/60/72/569686072.db2.gz RVXZSXCTEXNDJQ-KRWDZBQOSA-N 1 1 480.587 0.565 50 0 JCAAMO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+]3CCOCC3)C1)OCC(=O)N2 ZINC000035378835 569686062 /nfs/dbraw/zinc/68/60/62/569686062.db2.gz RVXZSXCTEXNDJQ-QGZVFWFLSA-N 1 1 480.587 0.565 50 0 JCAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)C2)CC1 ZINC000035378902 569686229 /nfs/dbraw/zinc/68/62/29/569686229.db2.gz MHHXETJUFFQWMV-MRXNPFEDSA-N 1 1 450.561 0.891 50 0 JCAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)C2)CC1 ZINC000035378903 569686178 /nfs/dbraw/zinc/68/61/78/569686178.db2.gz MHHXETJUFFQWMV-INIZCTEOSA-N 1 1 450.561 0.891 50 0 JCAAMO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N3CC[NH+](C)CC3)C1)O[C@H](C)C(=O)N2 ZINC000035379136 569686452 /nfs/dbraw/zinc/68/64/52/569686452.db2.gz CNZDVPMLQZSZPK-CVEARBPZSA-N 1 1 450.561 0.889 50 0 JCAAMO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C1)O[C@H](C)C(=O)N2 ZINC000035379137 569686390 /nfs/dbraw/zinc/68/63/90/569686390.db2.gz CNZDVPMLQZSZPK-HZPDHXFCSA-N 1 1 450.561 0.889 50 0 JCAAMO Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CCN(C)CC2)c1 ZINC000035401506 569690803 /nfs/dbraw/zinc/69/08/03/569690803.db2.gz SGKXLAKALDKXED-UHFFFAOYSA-N 1 1 451.637 0.363 50 0 JCAAMO CN1CCN(CCN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000035401511 569690980 /nfs/dbraw/zinc/69/09/80/569690980.db2.gz VGRWBQBGDIWLCK-UHFFFAOYSA-N 1 1 464.057 0.462 50 0 JCAAMO CCn1c(=O)cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c2c(=O)n(CC)c(=O)n(C)c21 ZINC000035422335 569692681 /nfs/dbraw/zinc/69/26/81/569692681.db2.gz FLNQYDOCQCQVOV-UHFFFAOYSA-N 1 1 451.527 0.860 50 0 JCAAMO Cn1c(=O)cc(C(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)c2c(=O)n(C)c(=O)n(C)c21 ZINC000035422475 569692742 /nfs/dbraw/zinc/69/27/42/569692742.db2.gz FBKKTXQDYFNVTO-UHFFFAOYSA-N 1 1 484.532 0.017 50 0 JCAAMO Cn1c(=O)cc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2c(=O)n(C)c(=O)n(C)c21 ZINC000035422476 569692753 /nfs/dbraw/zinc/69/27/53/569692753.db2.gz WTNVEGVYWYBUBG-UHFFFAOYSA-N 1 1 486.960 0.141 50 0 JCAAMO Cn1c(=O)c(=O)n(CC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2cccnc21 ZINC000035449572 569696638 /nfs/dbraw/zinc/69/66/38/569696638.db2.gz QHZCJLXVZRRUPU-UHFFFAOYSA-N 1 1 456.934 0.687 50 0 JCAAMO COCCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035871518 569718784 /nfs/dbraw/zinc/71/87/84/569718784.db2.gz WBUUOBBFASCSKB-UYAOXDASSA-N 1 1 484.519 0.990 50 0 JCAAMO COCCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035871518 569718783 /nfs/dbraw/zinc/71/87/83/569718783.db2.gz WBUUOBBFASCSKB-UYAOXDASSA-N 1 1 484.519 0.990 50 0 JCAAMO COCCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035871519 569718836 /nfs/dbraw/zinc/71/88/36/569718836.db2.gz WBUUOBBFASCSKB-AZUAARDMSA-N 1 1 484.519 0.990 50 0 JCAAMO COCCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035871519 569718835 /nfs/dbraw/zinc/71/88/35/569718835.db2.gz WBUUOBBFASCSKB-AZUAARDMSA-N 1 1 484.519 0.990 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@H](C(=O)NCc1ccncc1)C2 ZINC000035871771 569718896 /nfs/dbraw/zinc/71/88/96/569718896.db2.gz FWLXQHQEXDEWHO-ISKFKSNPSA-N 1 1 479.581 0.928 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@H](C(=O)NCc1ccncc1)C2 ZINC000035871771 569718895 /nfs/dbraw/zinc/71/88/95/569718895.db2.gz FWLXQHQEXDEWHO-ISKFKSNPSA-N 1 1 479.581 0.928 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@H](C(=O)NCCc1ccccn1)C2 ZINC000035871773 569719029 /nfs/dbraw/zinc/71/90/29/569719029.db2.gz CFMIQXSTXHZOOT-ILBGXUMGSA-N 1 1 493.608 0.971 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@H](C(=O)NCCc1ccccn1)C2 ZINC000035871773 569719028 /nfs/dbraw/zinc/71/90/28/569719028.db2.gz CFMIQXSTXHZOOT-ILBGXUMGSA-N 1 1 493.608 0.971 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@H](C(=O)N1CCOCC1)C2 ZINC000035872082 569719195 /nfs/dbraw/zinc/71/91/95/569719195.db2.gz FYQPGIUNWDMADC-IFMALSPDSA-N 1 1 458.559 0.076 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@H](C(=O)N1CCOCC1)C2 ZINC000035872082 569719194 /nfs/dbraw/zinc/71/91/94/569719194.db2.gz FYQPGIUNWDMADC-IFMALSPDSA-N 1 1 458.559 0.076 50 0 JCAAMO O=C(C[N@H+]1CCN2c3ccccc3C[C@H](C(=O)NCCCN3CCOCC3)[C@H]2C1)N1CCCC1 ZINC000035893442 569722809 /nfs/dbraw/zinc/72/28/09/569722809.db2.gz MBXXJHWVRFOMKV-LADGPHEKSA-N 1 1 469.630 0.810 50 0 JCAAMO O=C(C[N@@H+]1CCN2c3ccccc3C[C@H](C(=O)NCCCN3CCOCC3)[C@H]2C1)N1CCCC1 ZINC000035893442 569722808 /nfs/dbraw/zinc/72/28/08/569722808.db2.gz MBXXJHWVRFOMKV-LADGPHEKSA-N 1 1 469.630 0.810 50 0 JCAAMO O=C(C[N@H+]1CCN2c3ccccc3C[C@@H](C(=O)NCCCN3CCOCC3)[C@H]2C1)N1CCCC1 ZINC000035893445 569722816 /nfs/dbraw/zinc/72/28/16/569722816.db2.gz MBXXJHWVRFOMKV-ISKFKSNPSA-N 1 1 469.630 0.810 50 0 JCAAMO O=C(C[N@@H+]1CCN2c3ccccc3C[C@@H](C(=O)NCCCN3CCOCC3)[C@H]2C1)N1CCCC1 ZINC000035893445 569722815 /nfs/dbraw/zinc/72/28/15/569722815.db2.gz MBXXJHWVRFOMKV-ISKFKSNPSA-N 1 1 469.630 0.810 50 0 JCAAMO O=C(C[N@H+]1CCN2c3ccccc3C[C@H](C(=O)NCCCN3CCOCC3)[C@@H]2C1)N1CCCC1 ZINC000035893447 569722908 /nfs/dbraw/zinc/72/29/08/569722908.db2.gz MBXXJHWVRFOMKV-UPVQGACJSA-N 1 1 469.630 0.810 50 0 JCAAMO O=C(C[N@@H+]1CCN2c3ccccc3C[C@H](C(=O)NCCCN3CCOCC3)[C@@H]2C1)N1CCCC1 ZINC000035893447 569722907 /nfs/dbraw/zinc/72/29/07/569722907.db2.gz MBXXJHWVRFOMKV-UPVQGACJSA-N 1 1 469.630 0.810 50 0 JCAAMO O=C(C[N@H+]1CCN2c3ccccc3C[C@@H](C(=O)NCCCN3CCOCC3)[C@@H]2C1)N1CCCC1 ZINC000035893450 569722855 /nfs/dbraw/zinc/72/28/55/569722855.db2.gz MBXXJHWVRFOMKV-VWNXMTODSA-N 1 1 469.630 0.810 50 0 JCAAMO O=C(C[N@@H+]1CCN2c3ccccc3C[C@@H](C(=O)NCCCN3CCOCC3)[C@@H]2C1)N1CCCC1 ZINC000035893450 569722854 /nfs/dbraw/zinc/72/28/54/569722854.db2.gz MBXXJHWVRFOMKV-VWNXMTODSA-N 1 1 469.630 0.810 50 0 JCAAMO COCCCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035911173 569726411 /nfs/dbraw/zinc/72/64/11/569726411.db2.gz UULPVMVERYXIAF-IFMALSPDSA-N 1 1 460.575 0.370 50 0 JCAAMO COCCCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CC[N@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035911173 569726410 /nfs/dbraw/zinc/72/64/10/569726410.db2.gz UULPVMVERYXIAF-IFMALSPDSA-N 1 1 460.575 0.370 50 0 JCAAMO COCCCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035911174 569726363 /nfs/dbraw/zinc/72/63/63/569726363.db2.gz UULPVMVERYXIAF-RBBKRZOGSA-N 1 1 460.575 0.370 50 0 JCAAMO COCCCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CC[N@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035911174 569726362 /nfs/dbraw/zinc/72/63/62/569726362.db2.gz UULPVMVERYXIAF-RBBKRZOGSA-N 1 1 460.575 0.370 50 0 JCAAMO COc1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1N1CCCCS1(=O)=O ZINC000036357607 569771931 /nfs/dbraw/zinc/77/19/31/569771931.db2.gz GJFHNPCDBFYVBK-UHFFFAOYSA-N 1 1 454.549 0.402 50 0 JCAAMO O=C1c2cc(S(=O)(=O)N3CCNCC3)ccc2-c2ccc(S(=O)(=O)N3CC[NH2+]CC3)cc21 ZINC000036370351 569773344 /nfs/dbraw/zinc/77/33/44/569773344.db2.gz GOGKCPLGPKHRJT-UHFFFAOYSA-N 1 1 476.580 0.086 50 0 JCAAMO O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 ZINC000036386360 569774188 /nfs/dbraw/zinc/77/41/88/569774188.db2.gz WWHQGLLHTHAJTN-FQEVSTJZSA-N 1 1 458.559 0.598 50 0 JCAAMO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 ZINC000036386360 569774187 /nfs/dbraw/zinc/77/41/87/569774187.db2.gz WWHQGLLHTHAJTN-FQEVSTJZSA-N 1 1 458.559 0.598 50 0 JCAAMO CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000036601428 569777333 /nfs/dbraw/zinc/77/73/33/569777333.db2.gz PIWNUWDUFGFVFW-VQTJNVASSA-N 1 1 486.637 0.668 50 0 JCAAMO CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000036601430 569777337 /nfs/dbraw/zinc/77/73/37/569777337.db2.gz PIWNUWDUFGFVFW-WOJBJXKFSA-N 1 1 486.637 0.668 50 0 JCAAMO CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000036601432 569777366 /nfs/dbraw/zinc/77/73/66/569777366.db2.gz PIWNUWDUFGFVFW-UXHICEINSA-N 1 1 486.637 0.668 50 0 JCAAMO Cn1nc2nc(N3CC[NH+](CCN4CCOCC4)CC3)nc(-c3ccc4c(c3)OCO4)c2c1N ZINC000037361361 569784195 /nfs/dbraw/zinc/78/41/95/569784195.db2.gz ROQNTSCMUCPYKC-UHFFFAOYSA-N 1 1 466.546 0.795 50 0 JCAAMO Cc1oc(=O)oc1COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccccc3)[C@H]2SC1(C)C ZINC000038192494 563133112 /nfs/dbraw/zinc/13/31/12/563133112.db2.gz ZKUKMWMSYCIYRD-ZXFNITATSA-N 1 1 461.496 0.832 50 0 in-man JCAAMO O=C(CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)Nc1ccccn1 ZINC000040122972 569816995 /nfs/dbraw/zinc/81/69/95/569816995.db2.gz GKZRAZHYBPHVJY-UHFFFAOYSA-N 1 1 460.560 0.648 50 0 JCAAMO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000040145367 569817930 /nfs/dbraw/zinc/81/79/30/569817930.db2.gz UGSRTGJZEAROFZ-UHFFFAOYSA-N 1 1 494.618 0.261 50 0 JCAAMO COC(=O)c1nnn(C2CC[NH+](CC(=O)Nc3ccc(C(=O)OC)cc3)CC2)c1C(=O)OC ZINC000040151473 569819909 /nfs/dbraw/zinc/81/99/09/569819909.db2.gz JEOILPXPHSRFFD-UHFFFAOYSA-N 1 1 459.459 0.914 50 0 JCAAMO NC(=O)C1CCN(c2nc(N3CC[NH+](CCO)CC3)nc3c2cnn3-c2ccc(F)cc2)CC1 ZINC000040267555 569823279 /nfs/dbraw/zinc/82/32/79/569823279.db2.gz SFDUUUOXZZUOAT-UHFFFAOYSA-N 1 1 468.537 0.771 50 0 JCAAMO COc1cc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)ccc1N1CCCCS1(=O)=O ZINC000040268604 569823411 /nfs/dbraw/zinc/82/34/11/569823411.db2.gz GQRXMBSRJRIHAU-UHFFFAOYSA-N 1 1 454.549 0.402 50 0 JCAAMO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CCN(C)CC2)c(C)c1 ZINC000045945342 524314912 /nfs/dbraw/zinc/31/49/12/524314912.db2.gz MGBNWEHOYJKURR-UHFFFAOYSA-N 1 1 465.664 0.672 50 0 JCAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CCN(C)CC2)c(C)c1 ZINC000045945356 525512243 /nfs/dbraw/zinc/51/22/43/525512243.db2.gz IGUMIWOWBSAPMA-UHFFFAOYSA-N 1 1 451.637 0.363 50 0 JCAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CCN(C)CC2)cc1C ZINC000045945359 525511794 /nfs/dbraw/zinc/51/17/94/525511794.db2.gz WOYNJLOMNWQLCM-UHFFFAOYSA-N 1 1 451.637 0.363 50 0 JCAAMO CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CCN(C)CC2)cc1 ZINC000045945364 521191063 /nfs/dbraw/zinc/19/10/63/521191063.db2.gz KQRPGXONBPUAOA-UHFFFAOYSA-N 1 1 467.636 0.145 50 0 JCAAMO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CCN(C)CC2)cc1C ZINC000045945367 524313711 /nfs/dbraw/zinc/31/37/11/524313711.db2.gz YJBJBKSBEPIDHO-UHFFFAOYSA-N 1 1 465.664 0.672 50 0 JCAAMO Cn1c(=O)c(-c2noc(C(=O)NCC[N@@H+](C)Cc3ccccc3)n2)nn(-c2ccccc2)c1=O ZINC000045945809 522863605 /nfs/dbraw/zinc/86/36/05/522863605.db2.gz QFUKAFBMRZWKPZ-UHFFFAOYSA-N 1 1 461.482 0.843 50 0 JCAAMO Cn1c(=O)c(-c2noc(C(=O)NCC[N@@H+](C)Cc3ccccc3)n2)nn(-c2ccc(F)cc2)c1=O ZINC000045946161 522863103 /nfs/dbraw/zinc/86/31/03/522863103.db2.gz HDSWWWKWHVCSGM-UHFFFAOYSA-N 1 1 479.472 0.982 50 0 JCAAMO Cc1ccc(-n2nc(-c3noc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)n3)c(=O)n(C)c2=O)cc1 ZINC000045946745 525925418 /nfs/dbraw/zinc/92/54/18/525925418.db2.gz KCVBCJOLYUFDQK-HNNXBMFYSA-N 1 1 453.503 0.894 50 0 JCAAMO Cc1ccc(-n2nc(-c3noc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)n3)c(=O)n(C)c2=O)cc1 ZINC000045946749 525925219 /nfs/dbraw/zinc/92/52/19/525925219.db2.gz KCVBCJOLYUFDQK-OAHLLOKOSA-N 1 1 453.503 0.894 50 0 JCAAMO CC(C)Cc1ccc(S(=O)(=O)N(CCN2CCN(C)CC2)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974794 519440626 /nfs/dbraw/zinc/44/06/26/519440626.db2.gz NSDWURGSYXRNTQ-UHFFFAOYSA-N 1 1 465.664 0.555 50 0 JCAAMO Cc1cc(C)c(S(=O)(=O)N(CCN2CCN(C)CC2)CC(=O)N2CC[NH2+]CC2)cc1C ZINC000045974798 524315837 /nfs/dbraw/zinc/31/58/37/524315837.db2.gz XYNNNMHJRNGQAX-UHFFFAOYSA-N 1 1 451.637 0.282 50 0 JCAAMO COc1ccc(C(=O)N(CCCN2CCCC2=O)CCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000046140748 523612503 /nfs/dbraw/zinc/61/25/03/523612503.db2.gz RDVVRMHIBUKZER-UHFFFAOYSA-N 1 1 452.577 0.385 50 0 JCAAMO Cc1ccc(CC(=O)N(CCCN2CCCC2=O)CCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000046140751 524248617 /nfs/dbraw/zinc/24/86/17/524248617.db2.gz YJRLLFYPVSZDME-UHFFFAOYSA-N 1 1 450.605 0.614 50 0 JCAAMO COc1ccc(C(=O)N(CCCN2CCOCC2)CCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000046140829 523613791 /nfs/dbraw/zinc/61/37/91/523613791.db2.gz BUMCKRQULUAODA-UHFFFAOYSA-N 1 1 454.593 0.095 50 0 JCAAMO O=C(c1cccc(Cl)c1)N(CCCN1CCOCC1)CCS(=O)(=O)N1CC[NH2+]CC1 ZINC000046140830 526757555 /nfs/dbraw/zinc/75/75/55/526757555.db2.gz QSJVBPUSVLFUFW-UHFFFAOYSA-N 1 1 459.012 0.740 50 0 JCAAMO COc1ccc(CCC(=O)N(CCCN2CCOCC2)CCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000046140831 523917171 /nfs/dbraw/zinc/91/71/71/523917171.db2.gz QRBLARNFFVEOQU-UHFFFAOYSA-N 1 1 482.647 0.414 50 0 JCAAMO C[NH+]1CCN(c2cc(OCCNC(=O)Cn3nc(-c4ccc5c(c4)OCO5)ccc3=O)ncn2)CC1 ZINC000056901033 569592370 /nfs/dbraw/zinc/59/23/70/569592370.db2.gz DYINCMNNKYRKEK-UHFFFAOYSA-N 1 1 493.524 0.376 50 0 JCAAMO CC1=[NH+]N(CCN2CCN(c3ccccc3F)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 ZINC000056979784 569593773 /nfs/dbraw/zinc/59/37/73/569593773.db2.gz IFIPMZXPNDRWKV-UHFFFAOYSA-N 1 1 454.510 0.591 50 0 JCAAMO CC1=NN(CC[NH+]2CCN(c3ccc(F)cc3)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 ZINC000056979786 569593713 /nfs/dbraw/zinc/59/37/13/569593713.db2.gz DZWZDLMUDUTPFQ-UHFFFAOYSA-N 1 1 454.510 0.591 50 0 JCAAMO CC1=[NH+]N(CCN2CCN(c3ccc(F)cc3)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 ZINC000056979786 569593712 /nfs/dbraw/zinc/59/37/12/569593712.db2.gz DZWZDLMUDUTPFQ-UHFFFAOYSA-N 1 1 454.510 0.591 50 0 JCAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000058096133 195364694 /nfs/dbraw/zinc/36/46/94/195364694.db2.gz XULWTCWUKDOLES-UHFFFAOYSA-N 1 1 465.620 0.214 50 0 JCAAMO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCC[N@@H+](C)CC3)nc2)c1 ZINC000058136142 195365723 /nfs/dbraw/zinc/36/57/23/195365723.db2.gz CXDSNUJOZZKOCH-UHFFFAOYSA-N 1 1 467.617 0.952 50 0 JCAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000058229540 195374729 /nfs/dbraw/zinc/37/47/29/195374729.db2.gz NDRFLLHWHZGFIW-RTWAWAEBSA-N 1 1 451.589 0.384 50 0 JCAAMO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000058229543 195374750 /nfs/dbraw/zinc/37/47/50/195374750.db2.gz NDRFLLHWHZGFIW-NHCUHLMSSA-N 1 1 451.589 0.384 50 0 JCAAMO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000058229545 195374734 /nfs/dbraw/zinc/37/47/34/195374734.db2.gz NDRFLLHWHZGFIW-SFTDATJTSA-N 1 1 451.589 0.384 50 0 JCAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000058229548 195374694 /nfs/dbraw/zinc/37/46/94/195374694.db2.gz NDRFLLHWHZGFIW-LEWJYISDSA-N 1 1 451.589 0.384 50 0 JCAAMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CC2)C[C@H](C)O1 ZINC000058358055 195378402 /nfs/dbraw/zinc/37/84/02/195378402.db2.gz FBMMLOMPXYPPAM-HDICACEKSA-N 1 1 478.615 0.769 50 0 JCAAMO Cn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)CCC(=O)NCCC[NH+]1CCOCC1)C2 ZINC000064565438 569618984 /nfs/dbraw/zinc/61/89/84/569618984.db2.gz WHKVPIZDLRHBIR-UHFFFAOYSA-N 1 1 460.579 0.160 50 0 JCAAMO Cn1nc(C(=O)N2CCCCC2)c2c1CCN(C(=O)CCC(=O)NCCC[NH+]1CCOCC1)C2 ZINC000064565506 569618963 /nfs/dbraw/zinc/61/89/63/569618963.db2.gz MXMMMYSJABQVEX-UHFFFAOYSA-N 1 1 474.606 0.550 50 0 JCAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCC(=O)N1CCc2c(c(C(=O)N3CCOCC3)nn2C)C1 ZINC000064565559 195441382 /nfs/dbraw/zinc/44/13/82/195441382.db2.gz YVYMYPAMJAZRDL-LJQANCHMSA-N 1 1 488.633 0.938 50 0 JCAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCC(=O)N1CCc2c(c(C(=O)N3CCOCC3)nn2C)C1 ZINC000064565560 195441412 /nfs/dbraw/zinc/44/14/12/195441412.db2.gz YVYMYPAMJAZRDL-IBGZPJMESA-N 1 1 488.633 0.938 50 0 JCAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCC(=O)N1CCc2c(c(C(=O)N3CCOCC3)nn2C)C1 ZINC000064565564 569619043 /nfs/dbraw/zinc/61/90/43/569619043.db2.gz NWNQWDIVNHMZQL-GOSISDBHSA-N 1 1 474.606 0.548 50 0 JCAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CCC(=O)N1CCc2c(c(C(=O)N3CCOCC3)nn2C)C1 ZINC000064565565 569619087 /nfs/dbraw/zinc/61/90/87/569619087.db2.gz NWNQWDIVNHMZQL-SFHVURJKSA-N 1 1 474.606 0.548 50 0 JCAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CCC(=O)N2CCc3c(c(C(=O)N4CCOCC4)nn3C)C2)C1 ZINC000064565568 569619097 /nfs/dbraw/zinc/61/90/97/569619097.db2.gz GCCAGZHQWQJDTA-LJQANCHMSA-N 1 1 488.633 0.796 50 0 JCAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CCC(=O)N2CCc3c(c(C(=O)N4CCOCC4)nn3C)C2)C1 ZINC000064565569 569619031 /nfs/dbraw/zinc/61/90/31/569619031.db2.gz GCCAGZHQWQJDTA-IBGZPJMESA-N 1 1 488.633 0.796 50 0 JCAAMO Cn1nc(C(=O)N2CCOCC2)c2c1CCN(C(=O)CCC(=O)NCC[N@@H+](C)C1CCCCC1)C2 ZINC000064565570 569619063 /nfs/dbraw/zinc/61/90/63/569619063.db2.gz JUEGFDXLRAEUKE-UHFFFAOYSA-N 1 1 488.633 0.938 50 0 JCAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCOCC1 ZINC000064846541 569638729 /nfs/dbraw/zinc/63/87/29/569638729.db2.gz CENKCCONRZRXTB-LJQANCHMSA-N 1 1 478.615 0.977 50 0 JCAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCOCC1 ZINC000064846545 569638716 /nfs/dbraw/zinc/63/87/16/569638716.db2.gz CENKCCONRZRXTB-IBGZPJMESA-N 1 1 478.615 0.977 50 0 JCAAMO CC[NH+]1CCN(C(=O)CN2c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC[C@@H]3C2=O)CC1 ZINC000064966255 521662993 /nfs/dbraw/zinc/66/29/93/521662993.db2.gz CMKDZKCFMYGGFD-LJQANCHMSA-N 1 1 463.604 0.807 50 0 JCAAMO CC[NH+]1CCN(C(=O)CN2c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC[C@H]3C2=O)CC1 ZINC000064966256 521663247 /nfs/dbraw/zinc/66/32/47/521663247.db2.gz CMKDZKCFMYGGFD-IBGZPJMESA-N 1 1 463.604 0.807 50 0 JCAAMO C[NH+]1CCN(C(=O)CN2c3cc(S(=O)(=O)N4CCCC4)ccc3N3CCCC[C@@H]3C2=O)CC1 ZINC000064966547 523873710 /nfs/dbraw/zinc/87/37/10/523873710.db2.gz DKUTYYDOISTEBG-HXUWFJFHSA-N 1 1 475.615 0.951 50 0 JCAAMO C[NH+]1CCN(C(=O)CN2c3cc(S(=O)(=O)N4CCCC4)ccc3N3CCCC[C@H]3C2=O)CC1 ZINC000064966549 523874444 /nfs/dbraw/zinc/87/44/44/523874444.db2.gz DKUTYYDOISTEBG-FQEVSTJZSA-N 1 1 475.615 0.951 50 0 JCAAMO Cn1c2ccc(S(=O)(=O)N3CCC(C(=O)NCCC[NH+]4CCN(C)CC4)CC3)cc2sc1=O ZINC000065022093 569648635 /nfs/dbraw/zinc/64/86/35/569648635.db2.gz NCMMDPKGJVLKOI-UHFFFAOYSA-N 1 1 495.671 0.754 50 0 JCAAMO CCn1c(N2CCC[C@H](C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)C2)cc(=O)n(C)c1=O ZINC000065024009 569650013 /nfs/dbraw/zinc/65/00/13/569650013.db2.gz VZKRXZUMPHDLCI-FQEVSTJZSA-N 1 1 468.602 0.722 50 0 JCAAMO CCn1c(N2CCC[C@@H](C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)C2)cc(=O)n(C)c1=O ZINC000065024010 569649973 /nfs/dbraw/zinc/64/99/73/569649973.db2.gz VZKRXZUMPHDLCI-HXUWFJFHSA-N 1 1 468.602 0.722 50 0 JCAAMO Cn1c(=O)cc(N2CCC[C@H](C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)C2)n(C)c1=O ZINC000065024125 569649929 /nfs/dbraw/zinc/64/99/29/569649929.db2.gz MRJXDXCJRJYGNJ-IBGZPJMESA-N 1 1 486.592 0.768 50 0 JCAAMO Cn1c(=O)cc(N2CCC[C@@H](C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)C2)n(C)c1=O ZINC000065024127 569649976 /nfs/dbraw/zinc/64/99/76/569649976.db2.gz MRJXDXCJRJYGNJ-LJQANCHMSA-N 1 1 486.592 0.768 50 0 JCAAMO Cn1c(=O)cc(N2CCC[C@H](C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)C2)n(C)c1=O ZINC000065024164 569650017 /nfs/dbraw/zinc/65/00/17/569650017.db2.gz KHXPXQDDYRFWAV-IBGZPJMESA-N 1 1 454.575 0.239 50 0 JCAAMO Cn1c(=O)cc(N2CCC[C@@H](C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)C2)n(C)c1=O ZINC000065024165 569650015 /nfs/dbraw/zinc/65/00/15/569650015.db2.gz KHXPXQDDYRFWAV-LJQANCHMSA-N 1 1 454.575 0.239 50 0 JCAAMO CCn1c2c(ccn2CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c(=O)n(CC)c1=O ZINC000065030882 569652040 /nfs/dbraw/zinc/65/20/40/569652040.db2.gz JWWDWURPIGJSBT-UHFFFAOYSA-N 1 1 452.559 0.943 50 0 JCAAMO Cn1c2c(ccn2CC(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)c(=O)n(C)c1=O ZINC000065030985 569652022 /nfs/dbraw/zinc/65/20/22/569652022.db2.gz FBBFKMGERBAFEL-UHFFFAOYSA-N 1 1 456.522 0.506 50 0 JCAAMO Cn1c(=O)n(CC(=O)NCCC[NH+]2CCOCC2)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 ZINC000065057057 569654373 /nfs/dbraw/zinc/65/43/73/569654373.db2.gz GMHCKBDRTQAKTD-UHFFFAOYSA-N 1 1 472.933 0.649 50 0 JCAAMO Cc1ccc(-c2ncc3c(=O)n(CC(=O)NCCC[NH+]4CCOCC4)c(=O)n(C)c3n2)cc1 ZINC000065057151 569654384 /nfs/dbraw/zinc/65/43/84/569654384.db2.gz PFJBIJUVTUDMMA-UHFFFAOYSA-N 1 1 452.515 0.304 50 0 JCAAMO CC[NH+]1CCN(C(=O)CN2c3ccc(S(=O)(=O)N4CCOCC4)cc3C(C)(C)C2=O)CC1 ZINC000065314851 569672604 /nfs/dbraw/zinc/67/26/04/569672604.db2.gz LJYLYJKPQRLWLI-UHFFFAOYSA-N 1 1 464.588 0.496 50 0 JCAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000065512200 569675692 /nfs/dbraw/zinc/67/56/92/569675692.db2.gz IUKIXAVOGYACLP-GOSISDBHSA-N 1 1 482.603 0.831 50 0 JCAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000065512203 569675592 /nfs/dbraw/zinc/67/55/92/569675592.db2.gz IUKIXAVOGYACLP-SFHVURJKSA-N 1 1 482.603 0.831 50 0 JCAAMO CCOC(=O)C1CCN(C(=O)Cn2cnc3nc(N4CC[NH+](CC)CC4)sc3c2=O)CC1 ZINC000067225950 569681047 /nfs/dbraw/zinc/68/10/47/569681047.db2.gz JKCBTMBOYMDESG-UHFFFAOYSA-N 1 1 462.576 0.797 50 0 JCAAMO CCOC(=O)N1CCC(NC(=O)Cn2cnc3nc(N4CC[NH+](CC)CC4)sc3c2=O)CC1 ZINC000067239616 569681762 /nfs/dbraw/zinc/68/17/62/569681762.db2.gz ISGOIMSZVZLBDJ-UHFFFAOYSA-N 1 1 477.591 0.732 50 0 JCAAMO CCN(C(=O)C[N@H+]1CCC[C@H](C2OCCO2)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000069242903 569692517 /nfs/dbraw/zinc/69/25/17/569692517.db2.gz ZVTGLSSFIMWHMI-KRWDZBQOSA-N 1 1 457.531 0.605 50 0 JCAAMO CCN(C(=O)C[N@H+]1CCC[C@@H](C2OCCO2)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000069242907 569692629 /nfs/dbraw/zinc/69/26/29/569692629.db2.gz ZVTGLSSFIMWHMI-QGZVFWFLSA-N 1 1 457.531 0.605 50 0 JCAAMO Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000084025672 569708802 /nfs/dbraw/zinc/70/88/02/569708802.db2.gz MYJLPHFQHGUQMO-UHFFFAOYSA-N 1 1 491.614 0.746 50 0 JCAAMO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCC(=O)Nc3ccc(N4CCOCC4)cc3)CC2)C[C@H](C)O1 ZINC000095349885 569722636 /nfs/dbraw/zinc/72/26/36/569722636.db2.gz BUURWEONOHHXCZ-BGYRXZFFSA-N 1 1 495.646 0.823 50 0 JCAAMO C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCC(=O)Nc3ccc(N4CCOCC4)cc3)CC2)C[C@H](C)O1 ZINC000095349886 569722612 /nfs/dbraw/zinc/72/26/12/569722612.db2.gz BUURWEONOHHXCZ-PMACEKPBSA-N 1 1 495.646 0.823 50 0 JCAAMO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCC(=O)Nc3ccc(N4CCOCC4)cc3)CC2)C[C@@H](C)O1 ZINC000095349887 569722583 /nfs/dbraw/zinc/72/25/83/569722583.db2.gz BUURWEONOHHXCZ-WOJBJXKFSA-N 1 1 495.646 0.823 50 0 JCAAMO COCCn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)c(=O)n2Cc1ccccc1 ZINC000095953035 569731501 /nfs/dbraw/zinc/73/15/01/569731501.db2.gz HOZSXKFFQYFFRO-WOJBJXKFSA-N 1 1 480.569 0.797 50 0 JCAAMO COCCn1cnc2c1c(=O)n(CC(=O)N[C@H]1CC[N@H+]3CCC[C@@H]3C1)c(=O)n2Cc1ccccc1 ZINC000095953036 569731453 /nfs/dbraw/zinc/73/14/53/569731453.db2.gz HOZSXKFFQYFFRO-VQTJNVASSA-N 1 1 480.569 0.797 50 0 JCAAMO O=C1C[C@@H]([NH2+]CCN[C@H]2CC(=O)N(CCc3ccccc3)C2=O)C(=O)N1CCc1ccccc1 ZINC000100135154 569753567 /nfs/dbraw/zinc/75/35/67/569753567.db2.gz SUJVIPXVCNIXNO-SZPZYZBQSA-N 1 1 462.550 0.906 50 0 JCAAMO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCOCC3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000100162567 569754374 /nfs/dbraw/zinc/75/43/74/569754374.db2.gz HDJCUHTXLWMGAP-XZDVHOLPSA-N 1 1 488.544 0.880 50 0 JCAAMO O=C1C[C@H](NC[C@@H]2CCCO2)C(=O)N1c1ccc(N2C(=O)C[C@H]([NH2+]C[C@@H]3CCCO3)C2=O)cc1 ZINC000100580984 569765280 /nfs/dbraw/zinc/76/52/80/569765280.db2.gz KYPHOZMXVGYCBW-MUGJNUQGSA-N 1 1 470.526 0.488 50 0 JCAAMO CCN1c2ccc(Br)cc2[C@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)C1=O ZINC000101440296 569797684 /nfs/dbraw/zinc/79/76/84/569797684.db2.gz JNBOFRKNCRNCQY-INIZCTEOSA-N 1 1 453.337 0.811 50 0 JCAAMO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCOCC3)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000103012496 569831623 /nfs/dbraw/zinc/83/16/23/569831623.db2.gz HDJCUHTXLWMGAP-VLFLLPOHSA-N 1 1 488.544 0.880 50 0 JCAAMO CCN1CCN([C@H]2CC(=O)N(c3ccc(N4C(=O)C[C@H](N5CC[NH+](CC)CC5)C4=O)cc3)C2=O)CC1 ZINC000103487977 569835380 /nfs/dbraw/zinc/83/53/80/569835380.db2.gz WERAYONRYLNJRD-VXKWHMMOSA-N 1 1 496.612 0.225 50 0 JCAAMO CCN1CCN([C@@H]2CC(=O)N(c3ccc(N4C(=O)C[C@@H](N5CC[NH+](CC)CC5)C4=O)cc3)C2=O)CC1 ZINC000103487980 569835332 /nfs/dbraw/zinc/83/53/32/569835332.db2.gz WERAYONRYLNJRD-FGZHOGPDSA-N 1 1 496.612 0.225 50 0 JCAAMO C[C@H](O)[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000105349787 569852822 /nfs/dbraw/zinc/85/28/22/569852822.db2.gz ICZRAHXRTKGLJB-WDEDBEGASA-N 1 1 453.426 0.856 50 0 JCAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000105349790 569852845 /nfs/dbraw/zinc/85/28/45/569852845.db2.gz ICZRAHXRTKGLJB-SQGVNIDNSA-N 1 1 453.426 0.856 50 0 JCAAMO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C1)O[C@@H](C)C(=O)N2 ZINC000106304041 569853986 /nfs/dbraw/zinc/85/39/86/569853986.db2.gz CNZDVPMLQZSZPK-JKSUJKDBSA-N 1 1 450.561 0.889 50 0 JCAAMO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N3CC[NH+](C)CC3)C1)O[C@@H](C)C(=O)N2 ZINC000106304047 569853998 /nfs/dbraw/zinc/85/39/98/569853998.db2.gz CNZDVPMLQZSZPK-HOTGVXAUSA-N 1 1 450.561 0.889 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@@H](C(=O)NCc1ccncc1)C2 ZINC000169677454 569868675 /nfs/dbraw/zinc/86/86/75/569868675.db2.gz FWLXQHQEXDEWHO-LADGPHEKSA-N 1 1 479.581 0.928 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@@H](C(=O)NCc1ccncc1)C2 ZINC000169677454 569868674 /nfs/dbraw/zinc/86/86/74/569868674.db2.gz FWLXQHQEXDEWHO-LADGPHEKSA-N 1 1 479.581 0.928 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@@H](C(=O)NCCc1ccccn1)C2 ZINC000169677465 569868680 /nfs/dbraw/zinc/86/86/80/569868680.db2.gz CFMIQXSTXHZOOT-UKILVPOCSA-N 1 1 493.608 0.971 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@@H](C(=O)NCCc1ccccn1)C2 ZINC000169677465 569868679 /nfs/dbraw/zinc/86/86/79/569868679.db2.gz CFMIQXSTXHZOOT-UKILVPOCSA-N 1 1 493.608 0.971 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@@H](C(=O)N1CCOCC1)C2 ZINC000169677467 569868737 /nfs/dbraw/zinc/86/87/37/569868737.db2.gz FYQPGIUNWDMADC-RBBKRZOGSA-N 1 1 458.559 0.076 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@@H](C(=O)N1CCOCC1)C2 ZINC000169677467 569868736 /nfs/dbraw/zinc/86/87/36/569868736.db2.gz FYQPGIUNWDMADC-RBBKRZOGSA-N 1 1 458.559 0.076 50 0 JCAAMO COCCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]12 ZINC000169678674 569869230 /nfs/dbraw/zinc/86/92/30/569869230.db2.gz WBUUOBBFASCSKB-QUCCMNQESA-N 1 1 484.519 0.990 50 0 JCAAMO COCCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]12 ZINC000169678674 569869229 /nfs/dbraw/zinc/86/92/29/569869229.db2.gz WBUUOBBFASCSKB-QUCCMNQESA-N 1 1 484.519 0.990 50 0 JCAAMO COCCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]12 ZINC000169678675 569869181 /nfs/dbraw/zinc/86/91/81/569869181.db2.gz WBUUOBBFASCSKB-ICSRJNTNSA-N 1 1 484.519 0.990 50 0 JCAAMO COCCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]12 ZINC000169678675 569869180 /nfs/dbraw/zinc/86/91/80/569869180.db2.gz WBUUOBBFASCSKB-ICSRJNTNSA-N 1 1 484.519 0.990 50 0 JCAAMO COCCCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]12 ZINC000169679421 569869748 /nfs/dbraw/zinc/86/97/48/569869748.db2.gz UULPVMVERYXIAF-IRLDBZIGSA-N 1 1 460.575 0.370 50 0 JCAAMO COCCCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]12 ZINC000169679421 569869747 /nfs/dbraw/zinc/86/97/47/569869747.db2.gz UULPVMVERYXIAF-IRLDBZIGSA-N 1 1 460.575 0.370 50 0 JCAAMO COCCCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]12 ZINC000169679422 569869751 /nfs/dbraw/zinc/86/97/51/569869751.db2.gz UULPVMVERYXIAF-UNMCSNQZSA-N 1 1 460.575 0.370 50 0 JCAAMO COCCCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]12 ZINC000169679422 569869750 /nfs/dbraw/zinc/86/97/50/569869750.db2.gz UULPVMVERYXIAF-UNMCSNQZSA-N 1 1 460.575 0.370 50 0 JCAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000169785510 1067660365 /nfs/dbraw/zinc/66/03/65/1067660365.db2.gz XVXOGTODNFKVGC-HXUWFJFHSA-N 1 1 452.559 0.409 50 0 JCAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000169785511 1067660373 /nfs/dbraw/zinc/66/03/73/1067660373.db2.gz XVXOGTODNFKVGC-FQEVSTJZSA-N 1 1 452.559 0.409 50 0 JCAAMO NS(=O)(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3ccccc3NC2=O)cc1 ZINC000170621910 569873241 /nfs/dbraw/zinc/87/32/41/569873241.db2.gz ZOTYKOPTFDSSQL-RQXXJAGISA-N 1 1 452.492 0.765 50 0 JCAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(C[C@@H](O)COc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000170624475 569873372 /nfs/dbraw/zinc/87/33/72/569873372.db2.gz IKRSSLXTHZPMPE-CQSZACIVSA-N 1 1 462.938 0.279 50 0 JCAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(C[C@H](O)COc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000170624476 569873329 /nfs/dbraw/zinc/87/33/29/569873329.db2.gz IKRSSLXTHZPMPE-AWEZNQCLSA-N 1 1 462.938 0.279 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@H]1[C@@H](C(=O)NCc1ccncc1)C2 ZINC000230129020 570045528 /nfs/dbraw/zinc/04/55/28/570045528.db2.gz FWLXQHQEXDEWHO-UPVQGACJSA-N 1 1 479.581 0.928 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]1[C@@H](C(=O)NCc1ccncc1)C2 ZINC000230129020 570045526 /nfs/dbraw/zinc/04/55/26/570045526.db2.gz FWLXQHQEXDEWHO-UPVQGACJSA-N 1 1 479.581 0.928 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@H]1[C@H](C(=O)NCc1ccncc1)C2 ZINC000230129024 570045444 /nfs/dbraw/zinc/04/54/44/570045444.db2.gz FWLXQHQEXDEWHO-VWNXMTODSA-N 1 1 479.581 0.928 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]1[C@H](C(=O)NCc1ccncc1)C2 ZINC000230129024 570045443 /nfs/dbraw/zinc/04/54/43/570045443.db2.gz FWLXQHQEXDEWHO-VWNXMTODSA-N 1 1 479.581 0.928 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@H]1[C@@H](C(=O)NCCc1ccccn1)C2 ZINC000230129043 570045384 /nfs/dbraw/zinc/04/53/84/570045384.db2.gz CFMIQXSTXHZOOT-ZCYQVOJMSA-N 1 1 493.608 0.971 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]1[C@@H](C(=O)NCCc1ccccn1)C2 ZINC000230129043 570045383 /nfs/dbraw/zinc/04/53/83/570045383.db2.gz CFMIQXSTXHZOOT-ZCYQVOJMSA-N 1 1 493.608 0.971 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@H]1[C@H](C(=O)NCCc1ccccn1)C2 ZINC000230129050 570045456 /nfs/dbraw/zinc/04/54/56/570045456.db2.gz CFMIQXSTXHZOOT-NOZRDPDXSA-N 1 1 493.608 0.971 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]1[C@H](C(=O)NCCc1ccccn1)C2 ZINC000230129050 570045454 /nfs/dbraw/zinc/04/54/54/570045454.db2.gz CFMIQXSTXHZOOT-NOZRDPDXSA-N 1 1 493.608 0.971 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@H]1[C@@H](C(=O)N1CCOCC1)C2 ZINC000230129947 570045426 /nfs/dbraw/zinc/04/54/26/570045426.db2.gz FYQPGIUNWDMADC-UNMCSNQZSA-N 1 1 458.559 0.076 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]1[C@@H](C(=O)N1CCOCC1)C2 ZINC000230129947 570045425 /nfs/dbraw/zinc/04/54/25/570045425.db2.gz FYQPGIUNWDMADC-UNMCSNQZSA-N 1 1 458.559 0.076 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@H]1[C@H](C(=O)N1CCOCC1)C2 ZINC000230129950 570045677 /nfs/dbraw/zinc/04/56/77/570045677.db2.gz FYQPGIUNWDMADC-IRLDBZIGSA-N 1 1 458.559 0.076 50 0 JCAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]1[C@H](C(=O)N1CCOCC1)C2 ZINC000230129950 570045675 /nfs/dbraw/zinc/04/56/75/570045675.db2.gz FYQPGIUNWDMADC-IRLDBZIGSA-N 1 1 458.559 0.076 50 0 JCAAMO O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)NCCC[NH+]1CCOCC1 ZINC000244998808 570054498 /nfs/dbraw/zinc/05/44/98/570054498.db2.gz KUIIHEITHRITRR-UHFFFAOYSA-N 1 1 493.608 0.892 50 0 JCAAMO Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)N3CC[NH+](CCO)CC3)CC2)cc1 ZINC000245255482 570060005 /nfs/dbraw/zinc/06/00/05/570060005.db2.gz IQRMPRZISAJJTB-MXVIHJGJSA-N 1 1 480.631 0.332 50 0 JCAAMO Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000245255629 570060137 /nfs/dbraw/zinc/06/01/37/570060137.db2.gz JJSSHFVEZQZBOW-WGSAOQKQSA-N 1 1 450.605 0.970 50 0 JCAAMO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCOCC3)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000247943297 570071408 /nfs/dbraw/zinc/07/14/08/570071408.db2.gz HDJCUHTXLWMGAP-OGCDSPNFSA-N 1 1 488.544 0.880 50 0 JCAAMO COCCn1cnc2c1c(=O)n(CC(=O)N[C@H]1CC[N@H+]3CCC[C@H]3C1)c(=O)n2Cc1ccccc1 ZINC000252511520 570082619 /nfs/dbraw/zinc/08/26/19/570082619.db2.gz HOZSXKFFQYFFRO-PMACEKPBSA-N 1 1 480.569 0.797 50 0 JCAAMO COCCn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CC[N@H+]3CCC[C@H]3C1)c(=O)n2Cc1ccccc1 ZINC000252511521 570082705 /nfs/dbraw/zinc/08/27/05/570082705.db2.gz HOZSXKFFQYFFRO-UXHICEINSA-N 1 1 480.569 0.797 50 0 JCAAMO C[C@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000253385014 570095205 /nfs/dbraw/zinc/09/52/05/570095205.db2.gz QZJXOAXJLCTDBY-ARZPBOQLSA-N 1 1 464.316 0.729 50 0 JCAAMO C[C@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@H]12 ZINC000253385015 570095287 /nfs/dbraw/zinc/09/52/87/570095287.db2.gz QZJXOAXJLCTDBY-MYTQQIQMSA-N 1 1 464.316 0.729 50 0 JCAAMO C[C@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000253385016 570095256 /nfs/dbraw/zinc/09/52/56/570095256.db2.gz QZJXOAXJLCTDBY-ZBLHGYTHSA-N 1 1 464.316 0.729 50 0 JCAAMO CS(=O)(=O)N1CCN(Cc2oc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)CC1 ZINC000253413851 570098351 /nfs/dbraw/zinc/09/83/51/570098351.db2.gz VVVUKADZSPGRCR-SJORKVTESA-N 1 1 490.582 0.204 50 0 biogenic JCAAMO CS(=O)(=O)N1CCN(Cc2oc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)CC1 ZINC000253413851 570098349 /nfs/dbraw/zinc/09/83/49/570098349.db2.gz VVVUKADZSPGRCR-SJORKVTESA-N 1 1 490.582 0.204 50 0 biogenic JCAAMO CS(=O)(=O)N1CCC[C@H](C(=O)NCC[N@H+]2CCc3ccccc3C2)CCNC(=O)CC1 ZINC000257176612 1067959725 /nfs/dbraw/zinc/95/97/25/1067959725.db2.gz CTCHHZQIOATCEM-IBGZPJMESA-N 1 1 450.605 0.729 50 0 JCAAMO CS(=O)(=O)N1CCC[C@@H](C(=O)NCC[N@H+]2CCc3ccccc3C2)CCNC(=O)CC1 ZINC000257176613 1067959798 /nfs/dbraw/zinc/95/97/98/1067959798.db2.gz CTCHHZQIOATCEM-LJQANCHMSA-N 1 1 450.605 0.729 50 0 JCAAMO CS(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCNC(=O)CC1 ZINC000257178136 1067960186 /nfs/dbraw/zinc/96/01/86/1067960186.db2.gz FVPDRUAFYKZKMZ-FQEVSTJZSA-N 1 1 450.605 0.899 50 0 JCAAMO CS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCNC(=O)CC1 ZINC000257178138 1067960173 /nfs/dbraw/zinc/96/01/73/1067960173.db2.gz FVPDRUAFYKZKMZ-HXUWFJFHSA-N 1 1 450.605 0.899 50 0 JCAAMO CN1CC[NH+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)CCC(=O)NCC2)CC1 ZINC000257181184 1067960623 /nfs/dbraw/zinc/96/06/23/1067960623.db2.gz MRZOZOFJDHKUQH-NRFANRHFSA-N 1 1 493.674 0.737 50 0 JCAAMO CN1CC[NH+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)CCC(=O)NCC2)CC1 ZINC000257181185 1067960712 /nfs/dbraw/zinc/96/07/12/1067960712.db2.gz MRZOZOFJDHKUQH-OAQYLSRUSA-N 1 1 493.674 0.737 50 0 JCAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1 ZINC000257183484 1067961491 /nfs/dbraw/zinc/96/14/91/1067961491.db2.gz RQJVSTIIKCMMOR-FQEVSTJZSA-N 1 1 480.631 0.822 50 0 JCAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1 ZINC000257183485 1067659163 /nfs/dbraw/zinc/65/91/63/1067659163.db2.gz RQJVSTIIKCMMOR-HXUWFJFHSA-N 1 1 480.631 0.822 50 0 JCAAMO COc1cccc(C(=O)N2CCC([N@H+]3C[C@H](O)C[C@H]3C(=O)N3CCN(c4ncccn4)CC3)CC2)c1 ZINC000257190728 1067963298 /nfs/dbraw/zinc/96/32/98/1067963298.db2.gz OYRRWMFZHVAYGV-GGAORHGYSA-N 1 1 494.596 0.874 50 0 JCAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CNC(=O)Cn1nnc2ccccc2c1=O ZINC000409413249 1067841242 /nfs/dbraw/zinc/84/12/42/1067841242.db2.gz GGYXLOSIRUHODK-GHTZIAJQSA-N 1 1 470.574 0.647 50 0 biogenic JCAAMO COc1cc2ncn(CC(=O)NCC[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(=O)c2cc1OC ZINC000524729460 1069928888 /nfs/dbraw/zinc/92/88/88/1069928888.db2.gz UXRSLQYDUOIJSL-SJORKVTESA-N 1 1 479.537 0.811 50 0 JCAAMO COc1ccc2cnn(CC(=O)NCC[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(=O)c2c1OC ZINC000524729756 1070223458 /nfs/dbraw/zinc/22/34/58/1070223458.db2.gz IOADIZOSWGBNRR-AEFFLSMTSA-N 1 1 479.537 0.811 50 0 JCAAMO Cn1cc([C@@H](CC(N)=O)c2oc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cn1 ZINC000524731191 1070223759 /nfs/dbraw/zinc/22/37/59/1070223759.db2.gz NDHUFCDUYWGEDX-RVKKMQEKSA-N 1 1 465.510 0.867 50 0 JCAAMO Cn1cc([C@@H](CC(N)=O)c2oc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cn1 ZINC000524731191 1070223749 /nfs/dbraw/zinc/22/37/49/1070223749.db2.gz NDHUFCDUYWGEDX-RVKKMQEKSA-N 1 1 465.510 0.867 50 0 JCAAMO Cn1cc([C@H](CC(N)=O)c2oc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cn1 ZINC000524731192 1070224399 /nfs/dbraw/zinc/22/43/99/1070224399.db2.gz NDHUFCDUYWGEDX-VKJFTORMSA-N 1 1 465.510 0.867 50 0 JCAAMO Cn1cc([C@H](CC(N)=O)c2oc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cn1 ZINC000524731192 1070224387 /nfs/dbraw/zinc/22/43/87/1070224387.db2.gz NDHUFCDUYWGEDX-VKJFTORMSA-N 1 1 465.510 0.867 50 0 JCAAMO COCCn1ncc(N2CC[C@@H](C(=O)N(C)CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cc1=O ZINC000575314965 1069885034 /nfs/dbraw/zinc/88/50/34/1069885034.db2.gz ZFRWBDNSKFJFSL-JOCHJYFZSA-N 1 1 496.612 0.519 50 0 JCAAMO COCCn1ncc(N2CC[C@H](C(=O)N(C)CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cc1=O ZINC000575314966 1069862432 /nfs/dbraw/zinc/86/24/32/1069862432.db2.gz ZFRWBDNSKFJFSL-QFIPXVFZSA-N 1 1 496.612 0.519 50 0 JCAAMO COCCN1[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCO4)C[C@@]2(C(=O)N2CCOCC2)CCS1(=O)=O ZINC000575556633 1069863321 /nfs/dbraw/zinc/86/33/21/1069863321.db2.gz BOQQYNYVRDRDDH-VWNXMTODSA-N 1 1 493.626 0.723 50 0 JCAAMO COCCN1[C@@H]2CC[N@@H+](Cc3cnn(C(C)C)c3)C[C@@]2(C(=O)N2CCOCC2)CCS1(=O)=O ZINC000575556778 1069863128 /nfs/dbraw/zinc/86/31/28/1069863128.db2.gz CIGSPLQWEPJSDV-IRLDBZIGSA-N 1 1 483.635 0.565 50 0 JCAAMO COCCN1[C@@H]2CC[N@@H+](Cc3ccc(C)o3)C[C@@]2(C(=O)N2CCOCC2)CCS1(=O)=O ZINC000575556871 1069894768 /nfs/dbraw/zinc/89/47/68/1069894768.db2.gz DHICVAVSODUDJP-CTNGQTDRSA-N 1 1 455.577 0.689 50 0 JCAAMO COCCN1[C@@H]2CC[N@@H+](Cc3cccc(OC)n3)C[C@@]2(C(=O)N2CCOCC2)CCS1(=O)=O ZINC000575556891 1069894560 /nfs/dbraw/zinc/89/45/60/1069894560.db2.gz DPDAOJOJHWWODI-KNQAVFIVSA-N 1 1 482.603 0.192 50 0 JCAAMO COCCN1[C@@H]2CC[N@@H+](Cc3ccncc3F)C[C@@]2(C(=O)N2CCOCC2)CCS1(=O)=O ZINC000575560254 1069863428 /nfs/dbraw/zinc/86/34/28/1069863428.db2.gz UCBMTXDOEBJMPX-CTNGQTDRSA-N 1 1 470.567 0.322 50 0 JCAAMO COCCN1[C@@H]2CC[N@H+](Cc3ccncc3F)C[C@@]2(C(=O)N2CCOCC2)CCS1(=O)=O ZINC000575560254 1069863406 /nfs/dbraw/zinc/86/34/06/1069863406.db2.gz UCBMTXDOEBJMPX-CTNGQTDRSA-N 1 1 470.567 0.322 50 0 JCAAMO COCCN1[C@@H]2CC[N@@H+](Cc3c(C)nn(C)c3C)C[C@@]2(C(=O)N2CCOCC2)CCS1(=O)=O ZINC000575560273 1069863271 /nfs/dbraw/zinc/86/32/71/1069863271.db2.gz UEOGUHPSEWZKLL-IRLDBZIGSA-N 1 1 483.635 0.138 50 0 JCAAMO COCCN1[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@]2(C(=O)N2CCOCC2)CCS1(=O)=O ZINC000581814245 1069911036 /nfs/dbraw/zinc/91/10/36/1069911036.db2.gz PGDFCAASHASUCK-CTNGQTDRSA-N 1 1 452.577 0.183 50 0 JCAAMO COCCN1[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@]2(C(=O)N2CCOCC2)CCS1(=O)=O ZINC000581814261 1069911283 /nfs/dbraw/zinc/91/12/83/1069911283.db2.gz SYFLCPAIKAJEOQ-IRLDBZIGSA-N 1 1 451.589 0.788 50 0 JCAAMO COc1ccc(N2C(=O)N[C@@H](CC(=O)NCC[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000604405071 1069608905 /nfs/dbraw/zinc/60/89/05/1069608905.db2.gz VIMXRJUNZARRTH-UWVAXJGDSA-N 1 1 479.537 0.907 50 0 JCAAMO COc1cc([C@H](CC(=O)NC2CC[NH+](CC(N)=O)CC2)c2oc(C)cc(=O)c2O)ccc1O ZINC000604406383 1069608772 /nfs/dbraw/zinc/60/87/72/1069608772.db2.gz UKRDUCHHMSKOPM-INIZCTEOSA-N 1 1 459.499 0.956 50 0 JCAAMO COc1cc([C@@H](CC(=O)NC2CC[NH+](CC(N)=O)CC2)c2oc(C)cc(=O)c2O)ccc1O ZINC000604406384 1069608839 /nfs/dbraw/zinc/60/88/39/1069608839.db2.gz UKRDUCHHMSKOPM-MRXNPFEDSA-N 1 1 459.499 0.956 50 0 JCAAMO COc1ccc(N2C(=O)N[C@H](CC(=O)NCC[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000888088870 1068056438 /nfs/dbraw/zinc/05/64/38/1068056438.db2.gz VIMXRJUNZARRTH-FUHIMQAGSA-N 1 1 479.537 0.907 50 0 JCAAMO CN1CCNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O ZINC000952856991 1068225501 /nfs/dbraw/zinc/22/55/01/1068225501.db2.gz LFUDBHZVNHIRDH-SIKLNZKXSA-N 1 1 475.553 0.753 50 0 JCAAMO CN1CCNC(=O)C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O ZINC000952858165 1068226210 /nfs/dbraw/zinc/22/62/10/1068226210.db2.gz VVNROOQPUDWDAA-GHTZIAJQSA-N 1 1 476.541 0.148 50 0 JCAAMO Nc1cc[nH+]c(N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)n1 ZINC000952862176 1068226468 /nfs/dbraw/zinc/22/64/68/1068226468.db2.gz GSJRVQQLIBMSHW-FQEVSTJZSA-N 1 1 489.584 0.727 50 0 JCAAMO CCOC(=O)N1CCC([N@H+]2C[C@@H]3NC(=O)c4ncccc4OCCn4cc(nn4)CO[C@H]3C2)CC1 ZINC000952862430 1068226393 /nfs/dbraw/zinc/22/63/93/1068226393.db2.gz JWAJJODGDZISON-ICSRJNTNSA-N 1 1 485.545 0.686 50 0 JCAAMO Cc1nccn1CCC[N@H+]1C[C@@H]2NC(=O)c3ncccc3OCCn3cc(nn3)CO[C@H]2C1 ZINC000952862515 1068226583 /nfs/dbraw/zinc/22/65/83/1068226583.db2.gz ARGBDRJAOFXNNH-ICSRJNTNSA-N 1 1 452.519 0.660 50 0 JCAAMO CN1CCNC(=O)C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O ZINC000952862746 1068226485 /nfs/dbraw/zinc/22/64/85/1068226485.db2.gz DHFBJRCQPMVANL-LAUBAEHRSA-N 1 1 476.541 0.148 50 0 JCAAMO CN1CCNC(=O)c2cccn(c2=O)Cc2cn(nn2)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2CC1=O ZINC000952863186 1068227284 /nfs/dbraw/zinc/22/72/84/1068227284.db2.gz GPGIVWBWZAWFAG-SIKLNZKXSA-N 1 1 475.553 0.753 50 0 JCAAMO CN1CCNC(=O)c2cccn(c2=O)Cc2cn(nn2)[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2CC1=O ZINC000952863483 1068224339 /nfs/dbraw/zinc/22/43/39/1068224339.db2.gz WKVIECSQKYMOJO-GHTZIAJQSA-N 1 1 476.541 0.148 50 0 JCAAMO Cc1ccc2cc1OCCCn1cc(nn1)CC[N@@H+](CC1CC1)CCNC(=O)[C@H]([C@@H](C)O)NC2=O ZINC000952863592 1068224887 /nfs/dbraw/zinc/22/48/87/1068224887.db2.gz QPXBDHSGEXUCOL-JPYJTQIMSA-N 1 1 484.601 0.919 50 0 JCAAMO CN1CCNC(=O)c2cccn(c2=O)Cc2cn(nn2)[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2CC1=O ZINC000952865361 1068227957 /nfs/dbraw/zinc/22/79/57/1068227957.db2.gz PJXOSNXJJHEXKG-LAUBAEHRSA-N 1 1 476.541 0.148 50 0 JCAAMO CC(C)=CC[N@H+]1CCN2C(=O)[C@H](Cc3ccccc3)NC(=O)CCCn3cc(nn3)CNC(=O)[C@H]2C1 ZINC000952865387 1068227895 /nfs/dbraw/zinc/22/78/95/1068227895.db2.gz XPXHFDYSIDLKEB-XZOQPEGZSA-N 1 1 493.612 0.895 50 0 JCAAMO CC(C)=CC[N@@H+]1CCN2C(=O)[C@H](Cc3ccccc3)NC(=O)CCCn3cc(nn3)CNC(=O)[C@H]2C1 ZINC000952865387 1068227880 /nfs/dbraw/zinc/22/78/80/1068227880.db2.gz XPXHFDYSIDLKEB-XZOQPEGZSA-N 1 1 493.612 0.895 50 0 JCAAMO COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@@H+](CCO)CCCNC2=O ZINC000952967491 1068228775 /nfs/dbraw/zinc/22/87/75/1068228775.db2.gz BIMSRUFGSKDRAA-KRWDZBQOSA-N 1 1 464.563 0.245 50 0 JCAAMO COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@H+](CCO)CCCNC(=O)CC2 ZINC000952973606 1068227795 /nfs/dbraw/zinc/22/77/95/1068227795.db2.gz JPNYHHKTGUDLCE-IBGZPJMESA-N 1 1 492.617 0.564 50 0 JCAAMO CC(C)(C[N@H+]1C[C@@H]2NC(=O)c3ncccc3OCCn3cc(nn3)CO[C@H]2C1)N1CCOCC1 ZINC000952975430 1068228578 /nfs/dbraw/zinc/22/85/78/1068228578.db2.gz NLNHQNDVVJIQIF-ICSRJNTNSA-N 1 1 471.562 0.176 50 0 JCAAMO CC(C)(C[N@@H+]1C[C@@H]2NC(=O)c3ncccc3OCCn3cc(nn3)CO[C@H]2C1)N1CCOCC1 ZINC000952975430 1068228569 /nfs/dbraw/zinc/22/85/69/1068228569.db2.gz NLNHQNDVVJIQIF-ICSRJNTNSA-N 1 1 471.562 0.176 50 0 JCAAMO