smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C(=O)N1c2ccccc2[C@@](C)(c2ccc(Cl)cc2)CC1(C)C)[NH+]1CCC(C)CC1 ZINC000002292551 132251430 /nfs/dbraw/zinc/25/14/30/132251430.db2.gz KHAKSADXWAYEPL-NFQMXDRXSA-N 1 0 439.043 6.282 50 0 IKAARO c1ccc(Oc2cccc(CN3CCC([NH+]4CCN(c5ccccc5)CC4)CC3)c2)cc1 ZINC000004549207 132272167 /nfs/dbraw/zinc/27/21/67/132272167.db2.gz ZBSGVXKIIFBCSW-UHFFFAOYSA-N 1 0 427.592 5.266 50 0 IKAARO C[NH+]1CCN(c2ccc(/N=c3\cc(-c4ccccc4)oc4ccc(Cl)cc43)cc2)CC1 ZINC000006144197 132276178 /nfs/dbraw/zinc/27/61/78/132276178.db2.gz ABVWLQJURSQBCA-ZZIIXHQDSA-N 1 0 429.951 5.737 50 0 IKAARO c1ccc([C@@H]2Nn3c4cc(N5CCC([NH+]6CCCC6)CC5)ccc4nc3-c3ccccc32)cc1 ZINC000009421240 132316387 /nfs/dbraw/zinc/31/63/87/132316387.db2.gz IWTZCEKDJZGFJN-NDEPHWFRSA-N 1 0 449.602 5.414 50 0 IKAARO O=C(Nc1ccc(N2CCC([NH2+]Cc3ccc4ncccc4c3)CC2)cc1)C1CCCC1 ZINC000011785417 132339676 /nfs/dbraw/zinc/33/96/76/132339676.db2.gz OHSDVSVMNADPIX-UHFFFAOYSA-N 1 0 428.580 5.122 50 0 IKAARO CC(=O)c1cccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1 ZINC000012594667 518421752 /nfs/dbraw/zinc/42/17/52/518421752.db2.gz ULSIXNGKDPRKTD-UHFFFAOYSA-N 1 0 430.523 5.546 50 0 IKAARO CC(C)(C)[C@@H]1CCCC2=C1[NH2+]N(c1nc(-c3ccc(F)cc3)cs1)[C@]2(O)C(F)(F)F ZINC000035999490 518941527 /nfs/dbraw/zinc/94/15/27/518941527.db2.gz KKBBMOZXYZHLCD-STXHMFSFSA-N 1 0 441.494 5.839 50 0 IKAARO CC(C)(C)c1ccc(-c2c[n+](-c3ccc(Br)cc3)c3n2CCCS3)cc1 ZINC000012574947 519007723 /nfs/dbraw/zinc/00/77/23/519007723.db2.gz YBXZOFGBMWVTIK-UHFFFAOYSA-N 1 0 428.419 5.988 50 0 IKAARO CC(C)[C@@H](C)[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cccc(Cl)c1 ZINC000035844685 519791372 /nfs/dbraw/zinc/79/13/72/519791372.db2.gz ODJZKUQZJMUOKY-LJQANCHMSA-N 1 0 448.960 7.255 50 0 IKAARO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[n+]1c2ccccc2n(C)c1COc1ccccc1 ZINC000012385081 519803261 /nfs/dbraw/zinc/80/32/61/519803261.db2.gz HACNGQQLOZYIEB-KJWPAHLWSA-N 1 0 435.588 5.049 50 0 biogenic IKAARO CC(C)[C@H](C)[N@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1cccc(F)c1 ZINC000035841206 519811959 /nfs/dbraw/zinc/81/19/59/519811959.db2.gz NCQNSBBKHFBJGX-IBGZPJMESA-N 1 0 432.505 6.741 50 0 IKAARO CC(C)[C@H](C)[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1F ZINC000035841251 519812051 /nfs/dbraw/zinc/81/20/51/519812051.db2.gz AKXLWFJMXIBRTM-IBGZPJMESA-N 1 0 432.505 6.741 50 0 IKAARO CCCCC[NH+](CCCCC)C[C@@H](C)NC(=O)c1ccn(COc2cc(C)cc(C)c2)n1 ZINC000020617995 520163572 /nfs/dbraw/zinc/16/35/72/520163572.db2.gz DCCUGHULFJPTPA-HSZRJFAPSA-N 1 0 442.648 5.337 50 0 IKAARO CCCCCOc1ccc([C@](O)(CCC)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020756639 520258894 /nfs/dbraw/zinc/25/88/94/520258894.db2.gz ROOBRHVMCARMNN-RRPNLBNLSA-N 1 0 425.613 5.359 50 0 IKAARO CCCC[N@H+](C)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1ccccc1Cl ZINC000012152288 520421405 /nfs/dbraw/zinc/42/14/05/520421405.db2.gz FWMMVHHBYOVBMN-UHFFFAOYSA-N 1 0 445.972 5.221 50 0 IKAARO CCN(CC)C(=O)C1CC[NH+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CC1 ZINC000012571122 520443503 /nfs/dbraw/zinc/44/35/03/520443503.db2.gz QAGLVELASDUSJX-UHFFFAOYSA-N 1 0 447.579 5.523 50 0 IKAARO CCN(CC)C(=O)C1CC[NH+](Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CC1 ZINC000012714774 520444100 /nfs/dbraw/zinc/44/41/00/520444100.db2.gz HRYSNFFVVDGCRM-UHFFFAOYSA-N 1 0 448.586 5.067 50 0 IKAARO CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NCCC[NH+]3CCCC3)cc21 ZINC000032986582 520612379 /nfs/dbraw/zinc/61/23/79/520612379.db2.gz BZUCJDVJTZAVRQ-UHFFFAOYSA-N 1 0 437.971 5.170 50 0 IKAARO CC[NH+](CC)CCN(C(=O)c1ccc(C(C)=O)cc1)c1nc2ccc(Cl)cc2s1 ZINC000012140841 520639111 /nfs/dbraw/zinc/63/91/11/520639111.db2.gz TWXLOWXKVDEGLE-UHFFFAOYSA-N 1 0 429.973 5.141 50 0 IKAARO CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCC[N@H+](CCC(C)C)CC2)n1 ZINC000035926130 520675643 /nfs/dbraw/zinc/67/56/43/520675643.db2.gz WKVAOHMUUVXRLU-OAQYLSRUSA-N 1 0 434.632 5.277 50 0 IKAARO CC[NH+](CC)CCNc1cc(C)nc2c(-c3ccccc3Cl)c(C(F)(F)F)nn21 ZINC000021790507 520689750 /nfs/dbraw/zinc/68/97/50/520689750.db2.gz HJCYJASVSUEZPM-UHFFFAOYSA-N 1 0 425.886 5.131 50 0 IKAARO CCCC[NH2+][C@@H](c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1)c1ccccc1 ZINC000012420153 520696149 /nfs/dbraw/zinc/69/61/49/520696149.db2.gz QFPROSYDZYVJDI-HSZRJFAPSA-N 1 0 443.616 6.645 50 0 IKAARO CCOc1cc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)ccc1OC ZINC000012438601 520697963 /nfs/dbraw/zinc/69/79/63/520697963.db2.gz SSTVUCKDVUPLRR-IBGZPJMESA-N 1 0 445.003 5.056 50 0 IKAARO CCOc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000022784123 520726356 /nfs/dbraw/zinc/72/63/56/520726356.db2.gz WTLTXOALKRTCNW-SFHVURJKSA-N 1 0 438.955 5.607 50 0 IKAARO CCC[C@@H](NC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)c1ccccc1 ZINC000012449327 520752012 /nfs/dbraw/zinc/75/20/12/520752012.db2.gz HFOWIUSLNQGQQU-HHHXNRCGSA-N 1 0 443.591 5.396 50 0 IKAARO CCCCOc1ccc(-c2cc3c(N4CC[NH+](C5CCCCC5)CC4)nccn3n2)cc1 ZINC000033266331 520850552 /nfs/dbraw/zinc/85/05/52/520850552.db2.gz WSIWACMYKVOANG-UHFFFAOYSA-N 1 0 433.600 5.030 50 0 IKAARO CCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3-c3cccc(OC)c3)CC2)cc1 ZINC000012094574 520968702 /nfs/dbraw/zinc/96/87/02/520968702.db2.gz JFOYGPLXYQCACD-UHFFFAOYSA-N 1 0 444.575 5.612 50 0 IKAARO CCOc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)cc1 ZINC000012372912 520970265 /nfs/dbraw/zinc/97/02/65/520970265.db2.gz JQNPDNZXHDTZPB-UHFFFAOYSA-N 1 0 438.959 5.025 50 0 IKAARO CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000012283691 520978204 /nfs/dbraw/zinc/97/82/04/520978204.db2.gz FPNOSPYCSPYEES-OFNKIYASSA-N 1 0 446.513 5.117 50 0 IKAARO CC[N@H+](CCCNC(=O)c1cc(-c2cccnc2)nc2ccc(C)cc21)Cc1ccccc1 ZINC000021934774 521019935 /nfs/dbraw/zinc/01/99/35/521019935.db2.gz AQDNZDAARGZLFI-UHFFFAOYSA-N 1 0 438.575 5.247 50 0 IKAARO CC1CC[NH+](Cc2ccc(Nc3ncnc4onc(-c5ccc(Cl)cc5)c43)cc2)CC1 ZINC000020575088 521024792 /nfs/dbraw/zinc/02/47/92/521024792.db2.gz UISBRKBWROBMTF-UHFFFAOYSA-N 1 0 433.943 5.914 50 0 IKAARO CCC(=O)N1CCC[C@@H](COc2cccc(C[NH+]3CCC(Cc4ccccc4)CC3)c2)C1 ZINC000012126741 521111429 /nfs/dbraw/zinc/11/14/29/521111429.db2.gz KZGAZXQKRLQHEH-AREMUKBSSA-N 1 0 434.624 5.169 50 0 IKAARO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(Br)ccc23)cc1 ZINC000012758568 521245633 /nfs/dbraw/zinc/24/56/33/521245633.db2.gz VKGCMIGCTQKSNJ-FQEVSTJZSA-N 1 0 428.326 5.291 50 0 IKAARO CCCC[C@](O)(c1ccc(OCCC(C)C)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020443752 521254999 /nfs/dbraw/zinc/25/49/99/521254999.db2.gz OMBPSMIVFCVMQJ-NSOVKSMOSA-N 1 0 439.640 5.605 50 0 IKAARO CCOc1ccc([C@](O)(CCc2ccccc2)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020444448 521277264 /nfs/dbraw/zinc/27/72/64/521277264.db2.gz AOLCPUKPAQWQSK-URLMMPGGSA-N 1 0 445.603 5.022 50 0 IKAARO CCCCc1nc2sc3c(c2c(N2CC[NH+](C4CCCCCC4)CC2)n1)CCCC3 ZINC000035892769 521312798 /nfs/dbraw/zinc/31/27/98/521312798.db2.gz IRUWCWFAZFEPPP-UHFFFAOYSA-N 1 0 426.674 5.758 50 0 IKAARO CCCCc1nc2sc3c(c2c(N2CC[NH+](CCc4ccccc4)CC2)n1)CCCC3 ZINC000035892756 521314580 /nfs/dbraw/zinc/31/45/80/521314580.db2.gz DUPVQVNKIVMVAR-UHFFFAOYSA-N 1 0 434.653 5.277 50 0 IKAARO CCCc1cc(C(=O)N(CC2CC[NH+](CCc3ccccc3C)CC2)C2CCCC2)no1 ZINC000012373004 521351975 /nfs/dbraw/zinc/35/19/75/521351975.db2.gz QQTBUPPKFGVABG-UHFFFAOYSA-N 1 0 437.628 5.275 50 0 IKAARO CCCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccccc3C)ccc21 ZINC000020594966 521362636 /nfs/dbraw/zinc/36/26/36/521362636.db2.gz BWJYTKLGUHWLMP-UHFFFAOYSA-N 1 0 448.611 5.538 50 0 IKAARO CCC1(CC)C[C@@H]1C(=O)N(Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012432994 521691234 /nfs/dbraw/zinc/69/12/34/521691234.db2.gz AMIYRKIPOAANHW-AREMUKBSSA-N 1 0 433.640 5.457 50 0 IKAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(CSc4ccccc4)o3)cc2C)CC1 ZINC000012537849 521699247 /nfs/dbraw/zinc/69/92/47/521699247.db2.gz RFVGPRPRVFOIDM-UHFFFAOYSA-N 1 0 435.593 5.275 50 0 IKAARO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000021167035 521752198 /nfs/dbraw/zinc/75/21/98/521752198.db2.gz ZEJYGEYLBWIWFM-UHFFFAOYSA-N 1 0 432.998 5.471 50 0 IKAARO CCc1cccc2c([C@@H](CC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c3cccc(F)c3)c[nH]c21 ZINC000035889277 521793221 /nfs/dbraw/zinc/79/32/21/521793221.db2.gz VKFYBNWQKVTINI-CPJSRVTESA-N 1 0 449.614 5.772 50 0 IKAARO COC(=O)c1ccccc1C[N@@H+](Cc1cccn1Cc1cccc(C)c1)CC1CCCCC1 ZINC000035841092 522261742 /nfs/dbraw/zinc/26/17/42/522261742.db2.gz DDTMHNSXXCSZJB-UHFFFAOYSA-N 1 0 444.619 6.214 50 0 IKAARO COc1cc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(C)c(F)c3)CC2)ccc1O ZINC000034683636 522368083 /nfs/dbraw/zinc/36/80/83/522368083.db2.gz YVCADMZXLMEKIZ-UHFFFAOYSA-N 1 0 448.538 5.160 50 0 IKAARO CC[C@H](NC(=O)Nc1cccc(C)c1C)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532212 522485560 /nfs/dbraw/zinc/48/55/60/522485560.db2.gz BTMYUAQTDYROAJ-FQEVSTJZSA-N 1 0 436.625 5.806 50 0 IKAARO CC[C@H](O)C1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000012437573 522781270 /nfs/dbraw/zinc/78/12/70/522781270.db2.gz WFMXTPCOYXNHNJ-DEOSSOPVSA-N 1 0 429.564 5.328 50 0 IKAARO C[N@H+](CCNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1)C1CCCCC1 ZINC000021916107 522859800 /nfs/dbraw/zinc/85/98/00/522859800.db2.gz RCJLOBFWJPAEJY-UHFFFAOYSA-N 1 0 448.611 5.056 50 0 IKAARO C[N@H+](CCc1ccccc1)Cc1ccc(OC[C@@H]2CCCN(C(=O)C3CCCCC3)C2)cc1 ZINC000012217653 522953722 /nfs/dbraw/zinc/95/37/22/522953722.db2.gz KOQRWRCUXSEODE-AREMUKBSSA-N 1 0 448.651 5.559 50 0 IKAARO COCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)o1 ZINC000012441104 522971771 /nfs/dbraw/zinc/97/17/71/522971771.db2.gz FPPXPTAGJUQXJI-OAQYLSRUSA-N 1 0 443.547 5.425 50 0 IKAARO COc1cc2cc[n+]3c(c2cc1OC)Cc1cc(OC)c(OC)cc1[C@H]3c1ccc(C)cc1 ZINC000012660760 523058973 /nfs/dbraw/zinc/05/89/73/523058973.db2.gz SGPKULBKXDBHAB-MUUNZHRXSA-N 1 0 442.535 5.012 50 0 biogenic IKAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3OC)C2)cc1 ZINC000012229178 523138751 /nfs/dbraw/zinc/13/87/51/523138751.db2.gz LBCCVJZUKKLESZ-JOCHJYFZSA-N 1 0 430.548 5.222 50 0 IKAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)c(OC)c3)C2)cc1 ZINC000012747727 523139265 /nfs/dbraw/zinc/13/92/65/523139265.db2.gz IKCBHHRRFCLVAC-OAQYLSRUSA-N 1 0 448.538 5.361 50 0 IKAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](COc4ccccc4F)C3)c(C)o2)cc1OC ZINC000012579971 523202822 /nfs/dbraw/zinc/20/28/22/523202822.db2.gz OAQWLYPEOLKNIO-GOSISDBHSA-N 1 0 440.515 5.097 50 0 IKAARO CCn1cc(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)c2ccccc21 ZINC000012319149 523368679 /nfs/dbraw/zinc/36/86/79/523368679.db2.gz JYHIFBIPXJENTC-UHFFFAOYSA-N 1 0 445.607 5.331 50 0 IKAARO CCn1ncc(C[NH+]2CCC(C(=O)Nc3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)c1C ZINC000012443326 523691403 /nfs/dbraw/zinc/69/14/03/523691403.db2.gz LHEGDJZIPNWVEZ-UHFFFAOYSA-N 1 0 441.579 5.210 50 0 IKAARO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1)c1ccccc1 ZINC000012457739 523834633 /nfs/dbraw/zinc/83/46/33/523834633.db2.gz NKYQUQZPFSDXLH-SANMLTNESA-N 1 0 446.595 5.170 50 0 IKAARO COc1ccc(CCC2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000012745541 523927551 /nfs/dbraw/zinc/92/75/51/523927551.db2.gz FOMWAYZJPFJMOI-QGZVFWFLSA-N 1 0 434.502 5.386 50 0 IKAARO CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012149771 523951813 /nfs/dbraw/zinc/95/18/13/523951813.db2.gz GHEHYKYZOOJUDM-SANMLTNESA-N 1 0 444.644 5.311 50 0 IKAARO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c(OC)c1OC ZINC000012126283 524029072 /nfs/dbraw/zinc/02/90/72/524029072.db2.gz ZSMYPPSJGIUZBJ-KRWDZBQOSA-N 1 0 441.959 5.136 50 0 IKAARO C[NH+](C)CCCN(C(=O)c1ccc2ncsc2c1)c1nc2ccc(Cl)cc2s1 ZINC000012140940 524053506 /nfs/dbraw/zinc/05/35/06/524053506.db2.gz LYNNTIPZTYTMPE-UHFFFAOYSA-N 1 0 430.986 5.158 50 0 IKAARO Cc1ccc(C)c(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000036031697 524097446 /nfs/dbraw/zinc/09/74/46/524097446.db2.gz GQJPQRAUFOZQBB-XMMPIXPASA-N 1 0 427.947 5.538 50 0 IKAARO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000012602890 524237286 /nfs/dbraw/zinc/23/72/86/524237286.db2.gz LKQUJEYSMGDJAM-DYESRHJHSA-N 1 0 447.966 5.579 50 0 IKAARO COc1ccccc1-n1cc(C[NH2+][C@@H](C)c2cnn(-c3cccc4ccccc43)c2C)cn1 ZINC000012755394 524304100 /nfs/dbraw/zinc/30/41/00/524304100.db2.gz IVWUJBDYMLUEGW-IBGZPJMESA-N 1 0 437.547 5.379 50 0 IKAARO COc1ccccc1-n1cc(C[NH2+][C@H](C)c2cnn(-c3cccc4ccccc43)c2C)cn1 ZINC000012755401 524306300 /nfs/dbraw/zinc/30/63/00/524306300.db2.gz IVWUJBDYMLUEGW-LJQANCHMSA-N 1 0 437.547 5.379 50 0 IKAARO Cc1cccc(C[N@@H+](Cc2cccn2Cc2ccc(C(F)(F)F)cc2)[C@H](C)C(C)C)c1 ZINC000035844684 524382173 /nfs/dbraw/zinc/38/21/73/524382173.db2.gz UFUOOFYQELCVPN-OAQYLSRUSA-N 1 0 428.542 6.910 50 0 IKAARO C[C@@H](CC(F)(F)F)[NH+]1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC000012456682 524408093 /nfs/dbraw/zinc/40/80/93/524408093.db2.gz ZPTJURRBJVOHLF-AWEZNQCLSA-N 1 0 432.914 5.197 50 0 IKAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2csc(C(C)C)n2)CC1 ZINC000012442924 524448024 /nfs/dbraw/zinc/44/80/24/524448024.db2.gz FIWJQBCXZYIUIC-UHFFFAOYSA-N 1 0 443.657 5.286 50 0 IKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CCCCC2)c1 ZINC000035844704 524494270 /nfs/dbraw/zinc/49/42/70/524494270.db2.gz JGPJBMMMMDZUTJ-UHFFFAOYSA-N 1 0 440.553 7.199 50 0 IKAARO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+]([C@@H](C)Cc2ccc(C)cc2)CC1 ZINC000020512900 524617945 /nfs/dbraw/zinc/61/79/45/524617945.db2.gz ADVVICISVLGJHY-FQEVSTJZSA-N 1 0 447.583 5.112 50 0 IKAARO Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000034682894 524876175 /nfs/dbraw/zinc/87/61/75/524876175.db2.gz QDRDPWDNATXKJS-UHFFFAOYSA-N 1 0 436.958 6.099 50 0 IKAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCc2ccc(Cl)cc2)c1 ZINC000012613034 524926790 /nfs/dbraw/zinc/92/67/90/524926790.db2.gz MYMZJDPOTNJNMZ-UHFFFAOYSA-N 1 0 442.987 5.064 50 0 IKAARO COc1ccc(OC[C@@H]2CCC[N@H+](Cc3nc(-c4ccc(F)c(OC)c4)oc3C)C2)cc1 ZINC000012575325 524968152 /nfs/dbraw/zinc/96/81/52/524968152.db2.gz UUCLJVQBOBDWTI-GOSISDBHSA-N 1 0 440.515 5.097 50 0 IKAARO Cc1ccccc1C[N@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000035841169 525130629 /nfs/dbraw/zinc/13/06/29/525130629.db2.gz GDPBYFRKWGONQD-UHFFFAOYSA-N 1 0 448.532 7.066 50 0 IKAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000012199170 525138236 /nfs/dbraw/zinc/13/82/36/525138236.db2.gz JRQUBWVLSBVCQV-AREMUKBSSA-N 1 0 445.607 5.010 50 0 IKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCc2cn(Cc3ccccc3F)c3ccccc23)C1 ZINC000021527959 525208713 /nfs/dbraw/zinc/20/87/13/525208713.db2.gz KUFRIVOLKWWOIS-FGZHOGPDSA-N 1 0 449.614 5.246 50 0 IKAARO Cc1ccc(NC(=O)c2cnn(-c3ccccc3Cl)c2C2CC[NH2+]CC2)cc1Cl ZINC000021017998 525254254 /nfs/dbraw/zinc/25/42/54/525254254.db2.gz VEBNIGWXEQXXPO-UHFFFAOYSA-N 1 0 429.351 5.207 50 0 IKAARO CSC(C)(C)C[C@@H](C)[NH+]1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 ZINC000012056790 525291863 /nfs/dbraw/zinc/29/18/63/525291863.db2.gz HAHXNSMHKNNBLP-HXUWFJFHSA-N 1 0 442.673 5.402 50 0 IKAARO Cc1ccc(OCc2n(C)c3ccccc3[n+]2CC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000012461763 525445567 /nfs/dbraw/zinc/44/55/67/525445567.db2.gz YYKZMLDULITNEO-POGFHVCPSA-N 1 0 449.615 5.357 50 0 IKAARO C[C@H]([NH2+][C@@H](C)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc2c(c1)CCCC2 ZINC000012819979 525537510 /nfs/dbraw/zinc/53/75/10/525537510.db2.gz GMTSBLUBYCPENM-IRXDYDNUSA-N 1 0 429.589 5.942 50 0 IKAARO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCC[N@@H+](C)C3CCCCC3)cc12 ZINC000020985367 525684783 /nfs/dbraw/zinc/68/47/83/525684783.db2.gz NDZKJULFSUFZCM-UHFFFAOYSA-N 1 0 431.624 5.691 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3cccc(SC)c3)CC2)c1 ZINC000012194689 525714557 /nfs/dbraw/zinc/71/45/57/525714557.db2.gz ZBHRWMMASQMENU-UHFFFAOYSA-N 1 0 446.616 5.935 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3ccc(OC)c(C)c3)CC2)c1 ZINC000012432653 525715164 /nfs/dbraw/zinc/71/51/64/525715164.db2.gz TXIJKOXMBIYIJA-UHFFFAOYSA-N 1 0 444.575 5.530 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000012471381 525715835 /nfs/dbraw/zinc/71/58/35/525715835.db2.gz ICYXJDFOXFDGMJ-UHFFFAOYSA-N 1 0 439.559 5.694 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3cc4ccccc4o3)CC2)c1 ZINC000012708761 525716512 /nfs/dbraw/zinc/71/65/12/525716512.db2.gz QHTXWXXTKXRTNM-UHFFFAOYSA-N 1 0 440.543 5.959 50 0 IKAARO COc1cccc(-c2nc(C[NH+]3CCC(Sc4cccc(C)c4)CC3)c(C)o2)c1OC ZINC000020539695 525721776 /nfs/dbraw/zinc/72/17/76/525721776.db2.gz CEAQJXQCGOGBRZ-UHFFFAOYSA-N 1 0 438.593 5.732 50 0 IKAARO COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](COc4cccc(C)c4)C3)c(C)o2)c1OC ZINC000020600288 525724152 /nfs/dbraw/zinc/72/41/52/525724152.db2.gz XQUVXWJYLDLEPA-FQEVSTJZSA-N 1 0 436.552 5.267 50 0 IKAARO Cc1ccc(-c2cc(Nc3cccc(C(=O)NCCC[NH+]4CCC(C)CC4)c3)ncn2)cc1 ZINC000033261039 525736771 /nfs/dbraw/zinc/73/67/71/525736771.db2.gz ZZFXXODFPDMZTJ-UHFFFAOYSA-N 1 0 443.595 5.047 50 0 IKAARO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)[NH+]2CCC(C)CC2)o1 ZINC000021659863 525761745 /nfs/dbraw/zinc/76/17/45/525761745.db2.gz FIXDYSAZWCVSEK-XMMPIXPASA-N 1 0 447.579 5.325 50 0 IKAARO Cc1c(Cl)cccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1 ZINC000020940949 525779923 /nfs/dbraw/zinc/77/99/23/525779923.db2.gz BOVBVLMUUHPWSH-UHFFFAOYSA-N 1 0 429.351 5.207 50 0 IKAARO Cc1ccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2ccc(Oc3ncccn3)cc2)cc1C ZINC000012592393 525932010 /nfs/dbraw/zinc/93/20/10/525932010.db2.gz SOSXFRZVDPDKPE-DEOSSOPVSA-N 1 0 425.536 5.239 50 0 IKAARO Cc1ccc([C@H](CNc2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)[NH+](C)C)o1 ZINC000041157330 525961322 /nfs/dbraw/zinc/96/13/22/525961322.db2.gz DOVJGEZVCCMXHO-FQEVSTJZSA-N 1 0 439.519 5.568 50 0 IKAARO Cc1c2ccccc2[nH]c1C[NH+]1CCC(n2nccc2NC(=O)Nc2ccccc2C)CC1 ZINC000020915400 525973823 /nfs/dbraw/zinc/97/38/23/525973823.db2.gz GYASSBJGFWPPEE-UHFFFAOYSA-N 1 0 442.567 5.462 50 0 IKAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@H]12 ZINC000012864260 526107624 /nfs/dbraw/zinc/10/76/24/526107624.db2.gz MMPRIJBNPCMKRF-RKBWIGQPSA-N 1 0 432.608 5.902 50 0 biogenic IKAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 ZINC000012866951 526108314 /nfs/dbraw/zinc/10/83/14/526108314.db2.gz JVNVZTKUUYCRQT-PZLWSPBMSA-N 1 0 432.608 5.758 50 0 biogenic IKAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 ZINC000012866957 526109064 /nfs/dbraw/zinc/10/90/64/526109064.db2.gz JVNVZTKUUYCRQT-YANDFOHXSA-N 1 0 432.608 5.758 50 0 biogenic IKAARO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000021331339 526169973 /nfs/dbraw/zinc/16/99/73/526169973.db2.gz MODKXLFNXCJTTB-NVXWUHKLSA-N 1 0 444.457 5.167 50 0 IKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000021527957 526247291 /nfs/dbraw/zinc/24/72/91/526247291.db2.gz CJALUMQFKCWFJQ-NRFANRHFSA-N 1 0 435.587 5.142 50 0 IKAARO O[C@H](c1ccc2c(c1)C[N@H+](C1CCSCC1)CCO2)C(c1ccccc1)c1ccccc1 ZINC000012135169 526299497 /nfs/dbraw/zinc/29/94/97/526299497.db2.gz IQLCDMLCKVKFMB-MUUNZHRXSA-N 1 0 445.628 5.642 50 0 IKAARO Fc1ccc2c(c1)nc(-c1ccc3c(c1)OCO3)n2C1CC[NH+](Cc2ccsc2)CC1 ZINC000012241619 526374618 /nfs/dbraw/zinc/37/46/18/526374618.db2.gz VDLIDZJWWONKSK-UHFFFAOYSA-N 1 0 435.524 5.470 50 0 IKAARO O=C(CCC1CC[NH+](Cc2cc3ccccc3s2)CC1)N1CCN(c2ccccc2)CC1 ZINC000012308278 526408235 /nfs/dbraw/zinc/40/82/35/526408235.db2.gz PMYYSBKFZAEJKY-UHFFFAOYSA-N 1 0 447.648 5.242 50 0 IKAARO c1coc([C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)N2CCCC2)c1 ZINC000022914099 526570358 /nfs/dbraw/zinc/57/03/58/526570358.db2.gz BAPLAPOUQXQROP-VWLOTQADSA-N 1 0 426.564 5.118 50 0 IKAARO c1sc(-c2ccccn2)nc1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022808926 526629009 /nfs/dbraw/zinc/62/90/09/526629009.db2.gz LIKNUNXHTDLDRR-UHFFFAOYSA-N 1 0 426.589 5.112 50 0 IKAARO O=C(CCc1cn(Cc2ccccc2Cl)c2ccccc12)NCCC[NH+]1CCCCC1 ZINC000015678329 526635899 /nfs/dbraw/zinc/63/58/99/526635899.db2.gz KCFCGQBMTWCCSV-UHFFFAOYSA-N 1 0 438.015 5.268 50 0 IKAARO O=C(c1ccc(Cl)cc1OC1CC[NH+](Cc2ccccc2F)CC1)N1CCCCC1 ZINC000012432750 526680524 /nfs/dbraw/zinc/68/05/24/526680524.db2.gz LCTNPZVTLGIKMH-UHFFFAOYSA-N 1 0 430.951 5.149 50 0 IKAARO Cc1oc(-c2cccs2)nc1CN(C)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012471578 526745656 /nfs/dbraw/zinc/74/56/56/526745656.db2.gz KFOVMCQZWDFKPG-FQEVSTJZSA-N 1 0 427.589 5.237 50 0 IKAARO Clc1cc(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)cc2c1OCCCO2 ZINC000013113436 526925900 /nfs/dbraw/zinc/92/59/00/526925900.db2.gz QJVYAGGIKGLZKG-UHFFFAOYSA-N 1 0 426.925 5.661 50 0 IKAARO Cn1cc(C[NH+]2CCC([C@H](O)c3cccnc3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012448717 527196898 /nfs/dbraw/zinc/19/68/98/527196898.db2.gz ZUKLGHIMOXCQDH-NDEPHWFRSA-N 1 0 444.623 5.475 50 0 IKAARO O=C(Nc1ccc(F)cc1)[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000012567909 527203890 /nfs/dbraw/zinc/20/38/90/527203890.db2.gz GZAUTCLIFAWKCK-AREMUKBSSA-N 1 0 431.555 5.281 50 0 IKAARO O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2cccc(-c3ccco3)c2)CC1 ZINC000012208180 527283285 /nfs/dbraw/zinc/28/32/85/527283285.db2.gz WZBJMHYCYBJBGV-UHFFFAOYSA-N 1 0 440.547 5.161 50 0 IKAARO O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000012477169 527309288 /nfs/dbraw/zinc/30/92/88/527309288.db2.gz LJTNXKDPBIXSQQ-UHFFFAOYSA-N 1 0 432.495 5.072 50 0 IKAARO O=C(Nc1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1 ZINC000021018118 527333232 /nfs/dbraw/zinc/33/32/32/527333232.db2.gz LCSZQSRJDNGNPB-UHFFFAOYSA-N 1 0 448.876 5.264 50 0 IKAARO O=C(Nc1cccc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1)c1ccccc1Cl ZINC000012820690 527337504 /nfs/dbraw/zinc/33/75/04/527337504.db2.gz NLXJSHBVQSORLL-UHFFFAOYSA-N 1 0 433.939 5.009 50 0 IKAARO Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(C(=O)Nc2cccc(-c3cccc(F)c3)c2)CC1 ZINC000012709694 527590316 /nfs/dbraw/zinc/59/03/16/527590316.db2.gz QYVJNOLAQFWVNH-UHFFFAOYSA-N 1 0 448.586 5.738 50 0 IKAARO O=C(NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)Nc1ccccc1C(F)(F)F ZINC000020889837 527610101 /nfs/dbraw/zinc/61/01/01/527610101.db2.gz UNPWEYPINSYSEE-UHFFFAOYSA-N 1 0 425.882 5.393 50 0 IKAARO O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC12CC[NH+](Cc1cccnc1)CC2 ZINC000012099877 527618739 /nfs/dbraw/zinc/61/87/39/527618739.db2.gz BQFRFDJMHNSHKM-HHHXNRCGSA-N 1 0 439.603 5.022 50 0 IKAARO O=C(/C=C/c1ccccc1Cl)N(Cc1cccc(OCC[NH+]2CCCCC2)c1)C1CC1 ZINC000011999226 527635602 /nfs/dbraw/zinc/63/56/02/527635602.db2.gz HIDPNWQKBFECCX-SDNWHVSQSA-N 1 0 438.999 5.409 50 0 IKAARO O[C@@H](c1ccc2c(c1)C[N@H+](C1CCSCC1)CCO2)C(c1ccccc1)c1ccccc1 ZINC000012135171 527667142 /nfs/dbraw/zinc/66/71/42/527667142.db2.gz IQLCDMLCKVKFMB-NDEPHWFRSA-N 1 0 445.628 5.642 50 0 IKAARO CC[NH+]1CCN(c2ccc(N[C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)cc2)CC1 ZINC000009367160 535747544 /nfs/dbraw/zinc/74/75/44/535747544.db2.gz FDJXPEHRAHKWLO-HHHXNRCGSA-N 1 0 442.607 5.237 50 0 IKAARO CCC(=O)c1c(-c2ccc(Cl)cc2)nc2n(CC[NH+]3CCCCC3)c3ccccc3n12 ZINC000000971296 555591560 /nfs/dbraw/zinc/59/15/60/555591560.db2.gz HCKQAOPHTXVIKG-UHFFFAOYSA-N 1 0 434.971 5.688 50 0 IKAARO CC(=O)c1c(-c2cccc3ccccc32)nc2n(CC[NH+]3CCCCC3)c3ccccc3n12 ZINC000001195328 555676689 /nfs/dbraw/zinc/67/66/89/555676689.db2.gz TUVGBNZWYRZHOD-UHFFFAOYSA-N 1 0 436.559 5.798 50 0 IKAARO c1[nH]c2ccc(OCc3ccccc3)cc2c1CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000001641392 555707921 /nfs/dbraw/zinc/70/79/21/555707921.db2.gz RBQTUVBOTSEYQB-UHFFFAOYSA-N 1 0 446.594 6.992 50 0 IKAARO CCOc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000001800424 555717005 /nfs/dbraw/zinc/71/70/05/555717005.db2.gz BZNQUXLHXUOJIT-MUUNZHRXSA-N 1 0 427.568 5.403 50 0 IKAARO OCC[NH2+]C[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000002083336 555738943 /nfs/dbraw/zinc/73/89/43/555738943.db2.gz RHFCJMMUTRHBRR-DEOSSOPVSA-N 1 0 436.555 5.071 50 0 IKAARO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000002177969 555752800 /nfs/dbraw/zinc/75/28/00/555752800.db2.gz JBNKFMJUNYELGY-GOSISDBHSA-N 1 0 440.381 6.278 50 0 IKAARO CC(C)(C)c1cc(C2CCCCC2)cc(C[NH+]2CCCCC2)c1OC(=O)c1cccnc1 ZINC000002573105 555788220 /nfs/dbraw/zinc/78/82/20/555788220.db2.gz XRHGUXHBSWPZSE-UHFFFAOYSA-N 1 0 434.624 6.632 50 0 IKAARO CC(C)(C)c1ccc([C@]2(O)CN3CCCCCC3=[N+]2c2ccc(OC(F)F)cc2)cc1 ZINC000002597945 555789750 /nfs/dbraw/zinc/78/97/50/555789750.db2.gz MLTMKMBDPIZFNZ-RUZDIDTESA-N 1 0 429.531 5.363 50 0 IKAARO CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000034671808 555793105 /nfs/dbraw/zinc/79/31/05/555793105.db2.gz DSRVWTDQIQUZFF-JIPXPUAJSA-N 1 0 428.576 5.046 50 0 IKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@@H](C)C(=O)NC4CC4)cc3[C@@H]2c2ccccc2)c1 ZINC000034671812 555793178 /nfs/dbraw/zinc/79/31/78/555793178.db2.gz ACMDUCRFEHHFLQ-KMRXNPHXSA-N 1 0 440.587 5.189 50 0 IKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2ccc3ccccc3c2)cc1 ZINC000002752174 555810535 /nfs/dbraw/zinc/81/05/35/555810535.db2.gz NMRBDRXLBYYZIQ-UHFFFAOYSA-N 1 0 439.555 6.212 50 0 IKAARO COc1ccc(C(=O)N2C[C@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000034697981 555811729 /nfs/dbraw/zinc/81/17/29/555811729.db2.gz GWKRUOHLIJGFKC-NZQKXSOJSA-N 1 0 446.513 5.056 50 0 IKAARO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698795 555812336 /nfs/dbraw/zinc/81/23/36/555812336.db2.gz CDIYKANMJTXJDE-SQHAQQRYSA-N 1 0 429.608 5.100 50 0 IKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccccn2)C[C@@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000034698985 555812364 /nfs/dbraw/zinc/81/23/64/555812364.db2.gz MTFSYEJGJHCSJB-ZEQKJWHPSA-N 1 0 445.582 5.235 50 0 IKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]2c2ccccc2)cc1 ZINC000034698958 555812502 /nfs/dbraw/zinc/81/25/02/555812502.db2.gz JCSKEPZSDKRCKX-RRPNLBNLSA-N 1 0 430.592 5.602 50 0 IKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698796 555812571 /nfs/dbraw/zinc/81/25/71/555812571.db2.gz JTQNFLGWCQNANH-AOYPEHQESA-N 1 0 432.633 5.823 50 0 IKAARO Cc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H](CN(CC(C)C)C(=O)c3ccccc3)C2)o1 ZINC000034699034 555812732 /nfs/dbraw/zinc/81/27/32/555812732.db2.gz SFWPBGNZGFMNNH-SQHAQQRYSA-N 1 0 448.582 5.741 50 0 IKAARO CC(C)N(C[C@@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1ccccc1)C(=O)c1ccc(F)cc1 ZINC000034699006 555812802 /nfs/dbraw/zinc/81/28/02/555812802.db2.gz RJNAEEVBEKVLCJ-WIOPSUGQSA-N 1 0 436.596 5.654 50 0 IKAARO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@H+](Cc4ccsc4)CC3)nc2)cc1 ZINC000034681643 555814902 /nfs/dbraw/zinc/81/49/02/555814902.db2.gz QDISKMUVHFEBHJ-UHFFFAOYSA-N 1 0 448.636 5.405 50 0 IKAARO Cc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccc(C(C)C)cc4)CC3)nc2)c1 ZINC000034681584 555815031 /nfs/dbraw/zinc/81/50/31/555815031.db2.gz ZZUAHUDXPATZMW-UHFFFAOYSA-N 1 0 428.580 5.088 50 0 IKAARO COc1ccccc1CCNC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000034682408 555816349 /nfs/dbraw/zinc/81/63/49/555816349.db2.gz QZVHJICZSAZYNA-UHFFFAOYSA-N 1 0 442.603 5.122 50 0 IKAARO O=C(c1ccco1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682561 555816871 /nfs/dbraw/zinc/81/68/71/555816871.db2.gz NOBATYYTHRRDPX-UHFFFAOYSA-N 1 0 446.444 5.749 50 0 IKAARO CC(C)c1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3F)c3ccc(F)cc3)CC2)cc1 ZINC000034682651 555816876 /nfs/dbraw/zinc/81/68/76/555816876.db2.gz NPYUQIRPNGRPFB-UHFFFAOYSA-N 1 0 448.557 6.400 50 0 IKAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](c3cccc(C)c3)C[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000034711272 555824389 /nfs/dbraw/zinc/82/43/89/555824389.db2.gz GSEIMQAEPFIHEQ-DHIUTWEWSA-N 1 0 432.539 5.387 50 0 IKAARO Cc1cccc([C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccccc3)C[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000034711276 555824514 /nfs/dbraw/zinc/82/45/14/555824514.db2.gz ZJSKDGOQOFWAHE-RMUDUWAUSA-N 1 0 430.567 5.617 50 0 IKAARO Cc1cccc([C@H]2C[C@@H](C(=O)NCCc3ccccc3)C[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000034711213 555824583 /nfs/dbraw/zinc/82/45/83/555824583.db2.gz YDMKWTYGMQDKGS-IZZNHLLZSA-N 1 0 430.567 5.099 50 0 IKAARO COc1cc(C[NH2+]Cc2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000002846406 555837636 /nfs/dbraw/zinc/83/76/36/555837636.db2.gz SLZKIGQRKBOICH-UHFFFAOYSA-N 1 0 446.772 5.980 50 0 IKAARO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2ccc(OCc4ccccc4)cc2)[C@H]3CCC1 ZINC000002928811 555863834 /nfs/dbraw/zinc/86/38/34/555863834.db2.gz ZKXQQIFTFHUHNW-LJAQVGFWSA-N 1 0 436.599 6.812 50 0 IKAARO C[N@H+](CC[C@H](Oc1ccc(F)cc1Cl)c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000034728475 555868748 /nfs/dbraw/zinc/86/87/48/555868748.db2.gz MEIDFSKYSGUDDH-NRFANRHFSA-N 1 0 427.903 5.850 50 0 IKAARO Cc1ccc(C(=O)N2CCCCC2)c(C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000034730138 555869685 /nfs/dbraw/zinc/86/96/85/555869685.db2.gz IOABCEZOJWMSBZ-UHFFFAOYSA-N 1 0 445.529 5.415 50 0 IKAARO Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c(C2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000034730108 555869711 /nfs/dbraw/zinc/86/97/11/555869711.db2.gz UFDNIFQKAXHHNG-NVQXNPDNSA-N 1 0 449.614 5.704 50 0 IKAARO Cc1cccc(C[NH+]2CCC(c3nc(C)ccc3C(=O)NCc3ccccc3C)CC2)c1 ZINC000034726100 555882036 /nfs/dbraw/zinc/88/20/36/555882036.db2.gz KNVOYUBDFYQFLR-UHFFFAOYSA-N 1 0 427.592 5.316 50 0 IKAARO Cc1ccc(C(=O)NCc2ccccc2C)c(C2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000034726070 555882058 /nfs/dbraw/zinc/88/20/58/555882058.db2.gz RPJQFDYWJMVKFK-UHFFFAOYSA-N 1 0 448.010 5.661 50 0 IKAARO Cc1cc(O[C@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc(C(C)C)c1 ZINC000034727194 555882437 /nfs/dbraw/zinc/88/24/37/555882437.db2.gz DULFVTWEIMQJEN-GDLZYMKVSA-N 1 0 446.610 6.590 50 0 IKAARO COc1ccc([C@@H](CC[NH+]2CCN(c3ccc(C)c(C)c3)CC2)Oc2ccc(F)cc2)cc1 ZINC000034727513 555882691 /nfs/dbraw/zinc/88/26/91/555882691.db2.gz YHKZPWBWECFHOV-MUUNZHRXSA-N 1 0 448.582 5.784 50 0 IKAARO Cc1cc(O[C@@H](CC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2)ccc1C(C)C ZINC000034740084 555883313 /nfs/dbraw/zinc/88/33/13/555883313.db2.gz ZSMRSGNFXFZAHP-LJAQVGFWSA-N 1 0 428.620 6.451 50 0 IKAARO COc1cccc([C@H]2C[N@H+](Cc3cccs3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740308 555883317 /nfs/dbraw/zinc/88/33/17/555883317.db2.gz FTEMDHPRYDJKCC-XUZZJYLKSA-N 1 0 428.642 5.113 50 0 IKAARO CCOc1ccccc1C[N@H+](CCc1ccc2c(c1)OCO2)Cc1ccc(F)c(F)c1 ZINC000004489253 555997154 /nfs/dbraw/zinc/99/71/54/555997154.db2.gz YNUJTPYGRSHRKJ-UHFFFAOYSA-N 1 0 425.475 5.337 50 0 IKAARO CC(C)(C)c1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2ccc(OC(F)F)cc2)cc1 ZINC000004528705 555999645 /nfs/dbraw/zinc/99/96/45/555999645.db2.gz MLTMKMBDPIZFNZ-VWLOTQADSA-N 1 0 429.531 5.363 50 0 IKAARO CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C[NH2+]Cc3cccc4ccccc43)CCC[C@]21C ZINC000004666711 556005662 /nfs/dbraw/zinc/00/56/62/556005662.db2.gz JVRGEFPYXCXEQL-RWSKJCERSA-N 1 0 425.660 7.763 50 0 IKAARO COc1ccc(C)cc1NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004702115 556006651 /nfs/dbraw/zinc/00/66/51/556006651.db2.gz XUDXPJNTJPZIBO-UHFFFAOYSA-N 1 0 428.576 5.711 50 0 IKAARO CCCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000002730249 556134289 /nfs/dbraw/zinc/13/42/89/556134289.db2.gz BMXDSXRHZLKCST-CQSZACIVSA-N 1 0 448.419 6.359 50 0 IKAARO C(\c1ccccc1)=C1\CCCC2=C1O[C@@]1([NH+]3CCCCC3)CCCC[C@H]1[C@H]2c1ccccc1 ZINC000008399494 556165376 /nfs/dbraw/zinc/16/53/76/556165376.db2.gz XHZACPFETSQKJX-BTVBQOPISA-N 1 0 439.643 7.694 50 0 IKAARO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccccc1F ZINC000008443448 556178340 /nfs/dbraw/zinc/17/83/40/556178340.db2.gz DBHCSXSHORSGQD-UHFFFAOYSA-N 1 0 429.963 6.125 50 0 IKAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1CSc1nc2ccccc2[nH]1 ZINC000008740299 556206301 /nfs/dbraw/zinc/20/63/01/556206301.db2.gz IYYGDDRCJUCTLJ-XMMPIXPASA-N 1 0 440.572 5.580 50 0 biogenic IKAARO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCO[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000008748955 556210349 /nfs/dbraw/zinc/21/03/49/556210349.db2.gz XIRRZPCWSNKZAJ-OSPHWJPCSA-N 1 0 432.366 6.459 50 0 IKAARO C[C@H]([NH2+]Cc1cccc(OCc2c(Cl)cccc2Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000008856020 556227323 /nfs/dbraw/zinc/22/73/23/556227323.db2.gz YNINFXOIXJQORQ-MPVQEXEOSA-N 1 0 444.446 7.267 50 0 IKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3cccs3)=NN12 ZINC000013811610 556313044 /nfs/dbraw/zinc/31/30/44/556313044.db2.gz DYIUZWZEWWAQJR-GOSISDBHSA-N 1 0 446.414 5.255 50 0 IKAARO Cc1cccc(OCC(=O)N2CCC([N@H+](CCc3ccccc3)Cc3ccccc3)CC2)c1 ZINC000009933421 556316930 /nfs/dbraw/zinc/31/69/30/556316930.db2.gz LHKQJQZZXYTVEZ-UHFFFAOYSA-N 1 0 442.603 5.110 50 0 IKAARO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1ccc(F)cc1 ZINC000013895831 556329198 /nfs/dbraw/zinc/32/91/98/556329198.db2.gz JQPUJZFNGZOUKB-UHFFFAOYSA-N 1 0 429.963 5.981 50 0 IKAARO CCC[C@H]([NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1)c1ccccc1 ZINC000010436004 556334601 /nfs/dbraw/zinc/33/46/01/556334601.db2.gz IGHYYHXTBZAACW-QHCPKHFHSA-N 1 0 444.402 7.212 50 0 IKAARO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC000011661145 556343178 /nfs/dbraw/zinc/34/31/78/556343178.db2.gz IXLWVBMZGGHHEX-UHFFFAOYSA-N 1 0 434.923 5.593 50 0 IKAARO Cc1nc2sccn2c1CN(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011663870 556344697 /nfs/dbraw/zinc/34/46/97/556344697.db2.gz QMSJPTHWNCOGKN-JOCHJYFZSA-N 1 0 437.657 5.146 50 0 IKAARO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cc(C(C)C)n[nH]4)C3)cc2)c1 ZINC000011664567 556345284 /nfs/dbraw/zinc/34/52/84/556345284.db2.gz ZYGZIPWXWYBMPX-OAQYLSRUSA-N 1 0 432.568 5.059 50 0 IKAARO O=C(CCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000011718257 556348544 /nfs/dbraw/zinc/34/85/44/556348544.db2.gz GHRLUEXAYBZHOR-UHFFFAOYSA-N 1 0 442.922 5.160 50 0 IKAARO CCn1nc(C)c(C[NH2+]Cc2cn(-c3ccc(OC)cc3)nc2-c2ccccc2Cl)c1C ZINC000011760779 556349346 /nfs/dbraw/zinc/34/93/46/556349346.db2.gz GYHTVMNBSYCRAB-UHFFFAOYSA-N 1 0 449.986 5.324 50 0 IKAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc(-c3ccco3)cc2)CC1)c1ccccc1 ZINC000011761156 556349369 /nfs/dbraw/zinc/34/93/69/556349369.db2.gz GSRBQRNTIJGVLX-UHFFFAOYSA-N 1 0 426.520 5.233 50 0 IKAARO Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000011784042 556352130 /nfs/dbraw/zinc/35/21/30/556352130.db2.gz QUMCBIWMIKGKJX-SANMLTNESA-N 1 0 434.555 5.323 50 0 IKAARO COc1ccc2cc(C[NH2+]Cc3ccc(C(F)(F)F)cc3)c(-c3ccsc3)nc2c1 ZINC000011787388 556354202 /nfs/dbraw/zinc/35/42/02/556354202.db2.gz MIZHUZUKUULFCK-UHFFFAOYSA-N 1 0 428.479 6.281 50 0 IKAARO Cc1nn(CC(C)C)c2sc(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc12 ZINC000014014859 556355561 /nfs/dbraw/zinc/35/55/61/556355561.db2.gz BNJMLVZSQLEAJM-UHFFFAOYSA-N 1 0 445.032 5.110 50 0 IKAARO Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000014092731 556365631 /nfs/dbraw/zinc/36/56/31/556365631.db2.gz PVWQTHXEGMXPIN-UHFFFAOYSA-N 1 0 447.648 5.753 50 0 IKAARO C[C@H](Cc1ccccc1F)[NH+]1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 ZINC000011844590 556367446 /nfs/dbraw/zinc/36/74/46/556367446.db2.gz WHIGABCMBUZJAH-OAQYLSRUSA-N 1 0 448.586 5.252 50 0 IKAARO Cc1cc(C)cc(NC(=O)[C@@H]2CC23CC[NH+](Cc2ccc(Oc4ncccn4)cc2)CC3)c1 ZINC000011871395 556368893 /nfs/dbraw/zinc/36/88/93/556368893.db2.gz LPIBFJPCLIHEHW-DEOSSOPVSA-N 1 0 442.563 5.127 50 0 IKAARO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000011871209 556368955 /nfs/dbraw/zinc/36/89/55/556368955.db2.gz XHGZWJQNAGIFBL-OFNKIYASSA-N 1 0 430.514 5.335 50 0 IKAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3nc4c(s3)CCCC4)C2)cc1Cl ZINC000011879125 556371720 /nfs/dbraw/zinc/37/17/20/556371720.db2.gz ZCHZWHOGOKMWRH-MRXNPFEDSA-N 1 0 448.032 5.315 50 0 IKAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3nc4c(s3)CCCC4)C2)cc1Cl ZINC000011879124 556371763 /nfs/dbraw/zinc/37/17/63/556371763.db2.gz ZCHZWHOGOKMWRH-INIZCTEOSA-N 1 0 448.032 5.315 50 0 IKAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)c2cnn(C(C)C)c2)C2CCCC2)CC1 ZINC000011933618 556376784 /nfs/dbraw/zinc/37/67/84/556376784.db2.gz WLNIOIVOPASCIY-UHFFFAOYSA-N 1 0 436.644 5.112 50 0 IKAARO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000011935165 556377912 /nfs/dbraw/zinc/37/79/12/556377912.db2.gz AOWDZRRWLIPUML-GOSISDBHSA-N 1 0 438.522 5.294 50 0 IKAARO COc1ccc2cc(-c3n[nH]cc3C[NH2+]Cc3c[nH]nc3-c3ccc(F)cc3)ccc2c1 ZINC000011936609 556378756 /nfs/dbraw/zinc/37/87/56/556378756.db2.gz MHEGLTXFNWSXME-UHFFFAOYSA-N 1 0 427.483 5.058 50 0 IKAARO CC(=O)Nc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)cc1 ZINC000011937591 556379625 /nfs/dbraw/zinc/37/96/25/556379625.db2.gz CYHHJKJBSWMOQA-VWLOTQADSA-N 1 0 434.628 5.087 50 0 IKAARO Cn1cc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000011944676 556379966 /nfs/dbraw/zinc/37/99/66/556379966.db2.gz UOHPSSUBOXVMFN-UHFFFAOYSA-N 1 0 448.655 5.359 50 0 IKAARO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000012002972 556385918 /nfs/dbraw/zinc/38/59/18/556385918.db2.gz OOPIVOCJBAUSCH-UHFFFAOYSA-N 1 0 429.564 5.151 50 0 IKAARO Cc1nc2cc(NC(=O)[C@@H]3C[C@H](Sc4ccc(F)cc4)C[N@H+]3C(C)C)ccc2s1 ZINC000012034561 556389237 /nfs/dbraw/zinc/38/92/37/556389237.db2.gz QCHINKUVPGPZHY-ICSRJNTNSA-N 1 0 429.586 5.326 50 0 IKAARO CC1(C)C[C@@H](C[NH+]2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)CCO1 ZINC000012054025 556393175 /nfs/dbraw/zinc/39/31/75/556393175.db2.gz HJJDCJQYQIQXSH-SFHVURJKSA-N 1 0 449.035 5.061 50 0 IKAARO CC(C)c1csc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000012074834 556397097 /nfs/dbraw/zinc/39/70/97/556397097.db2.gz DUWCOAFKRHFXIQ-QFIPXVFZSA-N 1 0 426.674 5.708 50 0 IKAARO Cc1cc(C[NH+]2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)oc1C ZINC000012076715 556398008 /nfs/dbraw/zinc/39/80/08/556398008.db2.gz PXHHNSWANMWQIF-UHFFFAOYSA-N 1 0 430.976 5.219 50 0 IKAARO COc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3-c3cccc(OC)c3)CC2)c1 ZINC000012429364 556404563 /nfs/dbraw/zinc/40/45/63/556404563.db2.gz JYOWLMKOEFOILH-UHFFFAOYSA-N 1 0 430.548 5.222 50 0 IKAARO CCCCOc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(C)cc3s2)cc1 ZINC000004359525 556409370 /nfs/dbraw/zinc/40/93/70/556409370.db2.gz LAWSQXSRCNPHIS-UHFFFAOYSA-N 1 0 425.598 5.382 50 0 IKAARO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)[NH+]2CCCC2)cc1 ZINC000032624337 556411140 /nfs/dbraw/zinc/41/11/40/556411140.db2.gz JJRYGBODEKZDIW-VWLOTQADSA-N 1 0 429.564 5.096 50 0 IKAARO CCc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000032664942 556416716 /nfs/dbraw/zinc/41/67/16/556416716.db2.gz UKULNWJWIMFNLM-OALUTQOASA-N 1 0 445.563 5.188 50 0 IKAARO c1sc2ccccc2c1C[NH+]1CCN(c2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC000032853509 556431895 /nfs/dbraw/zinc/43/18/95/556431895.db2.gz BESJPSCGMYPSCX-UHFFFAOYSA-N 1 0 437.572 5.229 50 0 IKAARO O=C(C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000013001337 556433326 /nfs/dbraw/zinc/43/33/26/556433326.db2.gz ADNYDWVGONNMLT-FQEVSTJZSA-N 1 0 433.766 6.159 50 0 IKAARO C[NH+](C)[C@@H](CNc1nc(-c2cccnc2)nc2sc3c(c21)CCCC3)c1ccccc1 ZINC000013014174 556436596 /nfs/dbraw/zinc/43/65/96/556436596.db2.gz XMZLXZHLHQLRMQ-FQEVSTJZSA-N 1 0 429.593 5.347 50 0 IKAARO CCCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014732419 556437181 /nfs/dbraw/zinc/43/71/81/556437181.db2.gz QRHFXSGCVAZHLM-WIOPSUGQSA-N 1 0 448.582 5.412 50 0 IKAARO c1ccc([C@H](CNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)[NH+]2CCCC2)cc1 ZINC000013042127 556448141 /nfs/dbraw/zinc/44/81/41/556448141.db2.gz JLCNPGBUHVCDFQ-NRFANRHFSA-N 1 0 441.604 5.491 50 0 IKAARO Cc1cc(OCC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)ccc1Cl ZINC000028288693 556448604 /nfs/dbraw/zinc/44/86/04/556448604.db2.gz PQXNMIFFVPMSKA-HSZRJFAPSA-N 1 0 429.004 5.278 50 0 IKAARO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)[NH+]2CCCCC2)cc1 ZINC000028288935 556448948 /nfs/dbraw/zinc/44/89/48/556448948.db2.gz PXCZHDQEISXTRL-NRFANRHFSA-N 1 0 438.955 5.020 50 0 IKAARO Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028289691 556449116 /nfs/dbraw/zinc/44/91/16/556449116.db2.gz AXZPTBIHPWCFCN-OAQYLSRUSA-N 1 0 426.988 6.033 50 0 IKAARO Cc1c(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)oc2cc(C)cc(C)c12 ZINC000028289195 556449189 /nfs/dbraw/zinc/44/91/89/556449189.db2.gz TZBWGPUQPSMBCB-HSZRJFAPSA-N 1 0 432.608 6.222 50 0 IKAARO Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCCCC3)cc(=O)c2cc1Cl ZINC000028289971 556449457 /nfs/dbraw/zinc/44/94/57/556449457.db2.gz OXBUSWUEBGMSCO-SFHVURJKSA-N 1 0 444.984 5.163 50 0 IKAARO CC(C)c1ccc([C@H](CNC(=O)COc2ccc(C(C)(C)C)cc2)[NH+]2CCCCC2)cc1 ZINC000028291818 556450339 /nfs/dbraw/zinc/45/03/39/556450339.db2.gz NAJIFLAXIMVGEQ-SANMLTNESA-N 1 0 436.640 5.830 50 0 IKAARO CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028293021 556450673 /nfs/dbraw/zinc/45/06/73/556450673.db2.gz XXHLNCATNXENBM-DEOSSOPVSA-N 1 0 446.591 5.436 50 0 IKAARO CCc1ccc2oc(C(=O)NC[C@H](c3ccc(C(C)C)cc3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028293018 556450794 /nfs/dbraw/zinc/45/07/94/556450794.db2.gz XXHLNCATNXENBM-XMMPIXPASA-N 1 0 446.591 5.436 50 0 IKAARO CCc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc32)[NH+]2CCCC2)cc1 ZINC000028293405 556451025 /nfs/dbraw/zinc/45/10/25/556451025.db2.gz UZHZJJMPHBLGFD-LJAQVGFWSA-N 1 0 449.598 6.031 50 0 IKAARO O[C@@H](Cn1c2c(c3cccc(Cl)c31)CCCC2)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000028296812 556451813 /nfs/dbraw/zinc/45/18/13/556451813.db2.gz IJRNLARHLQRPMC-JOCHJYFZSA-N 1 0 443.075 6.502 50 0 IKAARO CC[NH+](CC)[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1Cl ZINC000013096332 556456995 /nfs/dbraw/zinc/45/69/95/556456995.db2.gz VXTGXGWIYYUIMN-JOCHJYFZSA-N 1 0 434.967 5.777 50 0 IKAARO COc1cc(C[NH+]2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)ccc1O ZINC000014958911 556463538 /nfs/dbraw/zinc/46/35/38/556463538.db2.gz CGKWDGSFHCQUFY-UHFFFAOYSA-N 1 0 430.548 5.227 50 0 IKAARO C[C@H](NC(=O)COc1ccc(-c2ccccc2)cc1C[NH+](C)C)c1cccc2ccccc21 ZINC000014972999 556467330 /nfs/dbraw/zinc/46/73/30/556467330.db2.gz DOMBTVMHHMFAFL-NRFANRHFSA-N 1 0 438.571 5.825 50 0 IKAARO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@@H+]1CCC[C@@H](CN2CCCC2=O)C1 ZINC000014972914 556467393 /nfs/dbraw/zinc/46/73/93/556467393.db2.gz NGRIOSMRYHKEBT-OAQYLSRUSA-N 1 0 429.564 5.151 50 0 IKAARO CC(C)=CCC[C@@H](C)C[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 ZINC000014975119 556467998 /nfs/dbraw/zinc/46/79/98/556467998.db2.gz CVEJESBCASOLGW-LJQANCHMSA-N 1 0 429.008 5.808 50 0 IKAARO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000014975340 556468144 /nfs/dbraw/zinc/46/81/44/556468144.db2.gz CRCPLDWGZKMJRD-UHFFFAOYSA-N 1 0 447.583 5.496 50 0 IKAARO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000014975542 556468348 /nfs/dbraw/zinc/46/83/48/556468348.db2.gz OWCZHPWZBKUQEG-OAHLLOKOSA-N 1 0 442.913 5.032 50 0 IKAARO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000014975539 556468358 /nfs/dbraw/zinc/46/83/58/556468358.db2.gz OWCZHPWZBKUQEG-HNNXBMFYSA-N 1 0 442.913 5.032 50 0 IKAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)/C=C/c2nc3ccccc3s2)C1 ZINC000014978437 556469574 /nfs/dbraw/zinc/46/95/74/556469574.db2.gz XIUUYZCYAGFKQF-QZMUEMGWSA-N 1 0 433.621 5.031 50 0 IKAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000014989573 556474078 /nfs/dbraw/zinc/47/40/78/556474078.db2.gz IFXRBHRVSFTGNJ-UHFFFAOYSA-N 1 0 442.481 5.129 50 0 IKAARO Cc1ccsc1C(=O)NC[C@@H](C)Oc1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000014999997 556479467 /nfs/dbraw/zinc/47/94/67/556479467.db2.gz MIRIHFBWBVXHFH-OAQYLSRUSA-N 1 0 448.632 5.633 50 0 IKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 ZINC000013133950 556481809 /nfs/dbraw/zinc/48/18/09/556481809.db2.gz VRFIOUFAGYMSTB-HNNXBMFYSA-N 1 0 433.021 5.289 50 0 IKAARO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH2+]C(c2ccccc2)c2ccccc2)C(=O)CCC1 ZINC000013138016 556485005 /nfs/dbraw/zinc/48/50/05/556485005.db2.gz COSFDBHTQGGMSC-QHCPKHFHSA-N 1 0 438.571 5.209 50 0 IKAARO Fc1ccc2[nH]c(CN(Cc3cccnc3)C[C@H]3CCC[N@@H+](C4CCCCC4)C3)nc2c1 ZINC000015062833 556490893 /nfs/dbraw/zinc/49/08/93/556490893.db2.gz KIEATNDYXTUZGV-OAQYLSRUSA-N 1 0 435.591 5.144 50 0 IKAARO Fc1ccc2[nH]c(CN(Cc3cccnc3)C[C@@H]3CCC[N@@H+](C4CCCCC4)C3)nc2c1 ZINC000015062831 556491116 /nfs/dbraw/zinc/49/11/16/556491116.db2.gz KIEATNDYXTUZGV-NRFANRHFSA-N 1 0 435.591 5.144 50 0 IKAARO O=C(NC[C@@H]1CCC[N@@H+](C2C3CC4CC(C3)CC2C4)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000015063723 556491459 /nfs/dbraw/zinc/49/14/59/556491459.db2.gz HKMUWVDXRLVARO-ZBDKNZDGSA-N 1 0 427.032 5.025 50 0 IKAARO O=C(NC1CCCC1)c1ccc(OC2CC[NH+](CCCC(F)(F)F)CC2)c(Cl)c1 ZINC000015064584 556492071 /nfs/dbraw/zinc/49/20/71/556492071.db2.gz FITGJFWKASFKQR-UHFFFAOYSA-N 1 0 432.914 5.198 50 0 IKAARO COc1ccc2cc(C[NH2+]CCc3ccc(OC)c(OC)c3)c(-c3ccsc3)nc2c1 ZINC000015067315 556493308 /nfs/dbraw/zinc/49/33/08/556493308.db2.gz BXOBZOXGGGZCJM-UHFFFAOYSA-N 1 0 434.561 5.321 50 0 IKAARO c1nn(-c2ccccc2)cc1CN(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000015070093 556495069 /nfs/dbraw/zinc/49/50/69/556495069.db2.gz OMTSSEJSSUJRNM-VWLOTQADSA-N 1 0 443.639 5.314 50 0 IKAARO CCCC[N@H+](Cc1ccccc1)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000015071307 556496340 /nfs/dbraw/zinc/49/63/40/556496340.db2.gz ADMQXZZCTJVENH-NRFANRHFSA-N 1 0 442.987 5.252 50 0 IKAARO O=C(CCC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000015073265 556497433 /nfs/dbraw/zinc/49/74/33/556497433.db2.gz HHXZYASAQGSLBQ-UHFFFAOYSA-N 1 0 444.623 5.036 50 0 IKAARO O=C(CSc1ccccc1)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000015074092 556498157 /nfs/dbraw/zinc/49/81/57/556498157.db2.gz YBWNESZQYBYAGV-QHCPKHFHSA-N 1 0 437.653 5.247 50 0 IKAARO CC1(C)C[C@@](CC[NH2+]Cc2ccc3c(c2)OCO3)(c2cccc(C(F)(F)F)c2)CCO1 ZINC000013555731 556516557 /nfs/dbraw/zinc/51/65/57/556516557.db2.gz NSPYYTLYXJEXFA-QHCPKHFHSA-N 1 0 435.486 5.441 50 0 IKAARO COc1ccc(-c2csc3ncnc(NC[C@H](c4ccc(OC)cc4)[NH+](C)C)c23)cc1 ZINC000015346185 556522649 /nfs/dbraw/zinc/52/26/49/556522649.db2.gz BZXKYCCSISXOKS-OAQYLSRUSA-N 1 0 434.565 5.090 50 0 IKAARO Fc1ccc(OC2=CC[N@H+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000031490532 556523919 /nfs/dbraw/zinc/52/39/19/556523919.db2.gz SPQMQDVUWOGSQF-UHFFFAOYSA-N 1 0 437.505 6.685 50 0 IKAARO CC(=O)N[C@@H](CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccc(Cl)cc1 ZINC000032900679 556529787 /nfs/dbraw/zinc/52/97/87/556529787.db2.gz QVPQTYDPYCGFOS-DEOSSOPVSA-N 1 0 442.003 5.311 50 0 IKAARO O=c1c2ccc(OCC[NH+]3CCCCC3)cc2occ1-c1ccc(Br)cc1 ZINC000013608976 556534109 /nfs/dbraw/zinc/53/41/09/556534109.db2.gz CSHVEALXUCMAKG-UHFFFAOYSA-N 1 0 428.326 5.087 50 0 IKAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)c(C)c2)CC1 ZINC000032719530 556537672 /nfs/dbraw/zinc/53/76/72/556537672.db2.gz GHHCZWFTQZUXDX-HXUWFJFHSA-N 1 0 431.580 5.041 50 0 IKAARO COc1ccc(C[N@H+](Cc2cccc(O)c2)C2CCC(O)CC2)cc1SC(F)(F)F ZINC000072304897 556549675 /nfs/dbraw/zinc/54/96/75/556549675.db2.gz OGPLLCWLIOADGR-UHFFFAOYSA-N 1 0 441.515 5.318 50 0 IKAARO O=C(NCCSc1ccccc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000015821678 556553612 /nfs/dbraw/zinc/55/36/12/556553612.db2.gz QQRQIZRGCSQKIM-UHFFFAOYSA-N 1 0 444.644 5.663 50 0 IKAARO O=C(Nc1ccc2c(c1)OCO2)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000015821761 556553911 /nfs/dbraw/zinc/55/39/11/556553911.db2.gz NYTQTVJQHZMWBJ-UHFFFAOYSA-N 1 0 428.532 5.122 50 0 IKAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000015859976 556558552 /nfs/dbraw/zinc/55/85/52/556558552.db2.gz VDSYNPTVZZBBJB-LJQANCHMSA-N 1 0 429.973 5.404 50 0 IKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)N3)C1 ZINC000015946367 556567311 /nfs/dbraw/zinc/56/73/11/556567311.db2.gz GCEMVDDEIAMELI-JOCHJYFZSA-N 1 0 447.560 5.163 50 0 IKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 ZINC000015946387 556567440 /nfs/dbraw/zinc/56/74/40/556567440.db2.gz JACKSZJIJSXWCP-HXUWFJFHSA-N 1 0 427.957 5.857 50 0 IKAARO Cc1c(C)n(-c2ccc(F)c(F)c2)c2ncnc(Nc3ccc(Br)c(C)c3)c12 ZINC000032960463 556567766 /nfs/dbraw/zinc/56/77/66/556567766.db2.gz ZRTNDAGZLHMYDE-UHFFFAOYSA-N 1 0 443.295 6.130 50 0 IKAARO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc(OC)c1OC ZINC000016033828 556577087 /nfs/dbraw/zinc/57/70/87/556577087.db2.gz FHCDSSAQYVTDRX-RZPHLTDDSA-N 1 0 445.987 5.234 50 0 biogenic,in-vitro IKAARO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+]([C@@H]1CCc3ccccc3C1)CC2 ZINC000022023204 556577854 /nfs/dbraw/zinc/57/78/54/556577854.db2.gz GCHICBJQVBZXBS-KCWPFWIISA-N 1 0 433.979 5.862 50 0 IKAARO Nc1c2c([nH+]c3c1CCCCC3)n(Cc1ccccc1)c(-c1ccccc1)c2-c1ccccc1 ZINC000034847911 556583692 /nfs/dbraw/zinc/58/36/92/556583692.db2.gz OEYZGSCBSDRXBZ-UHFFFAOYSA-N 1 0 443.594 7.270 50 0 IKAARO COc1cc(C[NH2+]C2CCCCC2)cc(Br)c1OCc1ccccc1Cl ZINC000016195749 556590170 /nfs/dbraw/zinc/59/01/70/556590170.db2.gz HVEBOKKZOXNLIB-UHFFFAOYSA-N 1 0 438.793 6.112 50 0 IKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)C(C)C ZINC000036304534 556596479 /nfs/dbraw/zinc/59/64/79/556596479.db2.gz OEHOBRWBZZEJCC-RUZDIDTESA-N 1 0 437.584 5.211 50 0 IKAARO COc1cc(OC)c(C[N@H+](CCc2ccccc2)Cc2ccccc2)cc1Br ZINC000016662971 556621279 /nfs/dbraw/zinc/62/12/79/556621279.db2.gz ISSLWXWXLXJSEP-UHFFFAOYSA-N 1 0 440.381 5.711 50 0 IKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000005044195 556627091 /nfs/dbraw/zinc/62/70/91/556627091.db2.gz LAPRBDWKIGWNPR-NBHGPNQESA-N 1 0 429.992 5.210 50 0 IKAARO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)NC4CCCCCCC4)CC3)c(C)o2)cc1 ZINC000005043519 556627221 /nfs/dbraw/zinc/62/72/21/556627221.db2.gz KVYVPDDMHQJGMV-UHFFFAOYSA-N 1 0 437.628 5.654 50 0 IKAARO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)NC4CCCCCCC4)C3)c(C)o2)cc1 ZINC000005055865 556627671 /nfs/dbraw/zinc/62/76/71/556627671.db2.gz CNRSWHKAKMCBJK-QHCPKHFHSA-N 1 0 437.628 5.654 50 0 IKAARO c1ccc(CCCC2CCN(CC[NH+]3CCC(CCCc4ccccc4)CC3)CC2)cc1 ZINC000039712881 556629875 /nfs/dbraw/zinc/62/98/75/556629875.db2.gz ZXRJUECFRJEVQG-UHFFFAOYSA-N 1 0 432.696 6.456 50 0 IKAARO CCCC[NH+](CCCC)CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000005137243 556640153 /nfs/dbraw/zinc/64/01/53/556640153.db2.gz DWKNCVSOUVQVMQ-UHFFFAOYSA-N 1 0 430.662 5.309 50 0 IKAARO COc1ccc([C@@](O)(CCc2ccccc2)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000005152870 556643278 /nfs/dbraw/zinc/64/32/78/556643278.db2.gz IOIGVAUFZBFTFN-WDYNHAJCSA-N 1 0 429.604 5.785 50 0 IKAARO Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1 ZINC000072315647 556655022 /nfs/dbraw/zinc/65/50/22/556655022.db2.gz HNFMVVHMKGFCMB-UHFFFAOYSA-N 1 0 432.531 5.070 50 0 in-vitro IKAARO C[C@@H](c1cc(-c2ccccc2)n[nH]1)[N@H+](C)[C@@H]1CCC(=O)N(Cc2ccccc2Cl)CC1 ZINC000042942770 556660060 /nfs/dbraw/zinc/66/00/60/556660060.db2.gz QZPVXHSWRFPXNM-GHTZIAJQSA-N 1 0 436.987 5.304 50 0 IKAARO COc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1OCc1ccccc1 ZINC000043164415 556661089 /nfs/dbraw/zinc/66/10/89/556661089.db2.gz MLYBYDDAGOKMAX-NAKRPHOHSA-N 1 0 434.624 5.503 50 0 IKAARO Cc1cc(OC(=O)[C@@H](N)CCCC[NH3+])cc2c1[C@]1(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2 ZINC000043154457 556661154 /nfs/dbraw/zinc/66/11/54/556661154.db2.gz FETXNEPHJSHBDW-XICLYOTNSA-N 1 0 440.672 5.413 50 0 IKAARO Cc1ccccc1[C@@H]1C[N@H+](CC2CC2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248093663 556662372 /nfs/dbraw/zinc/66/23/72/556662372.db2.gz NJUUDVSYZBKBAT-LBNVMWSVSA-N 1 0 430.636 5.896 50 0 IKAARO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000248108137 556662953 /nfs/dbraw/zinc/66/29/53/556662953.db2.gz RKGGBSVKGXHFPX-NOZRDPDXSA-N 1 0 443.591 5.364 50 0 IKAARO O=c1c2ccccc2nc(SCc2ccc(F)cc2Cl)n1CCC[NH+]1CCCCC1 ZINC000165358505 556670199 /nfs/dbraw/zinc/67/01/99/556670199.db2.gz ZCMLGDWYMYIXCT-UHFFFAOYSA-N 1 0 445.991 5.357 50 0 IKAARO Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)C2)o1 ZINC000248231961 556676561 /nfs/dbraw/zinc/67/65/61/556676561.db2.gz LAYZZVWVEAYMPA-IAPPQJPRSA-N 1 0 444.619 5.910 50 0 IKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccccn2)C[C@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000248236234 556676811 /nfs/dbraw/zinc/67/68/11/556676811.db2.gz MTFSYEJGJHCSJB-BVAGGSTKSA-N 1 0 445.582 5.235 50 0 IKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccco2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248256725 556677698 /nfs/dbraw/zinc/67/76/98/556677698.db2.gz UZLQUDHJFTYUQQ-OZXSUGGESA-N 1 0 434.555 5.433 50 0 IKAARO CCCCC[NH+](CCCCC)CC(=O)Nc1c2ccccc2nc(CCCC)c1CCC ZINC000004601208 556694159 /nfs/dbraw/zinc/69/41/59/556694159.db2.gz BNXZAWFKYHQQKY-UHFFFAOYSA-N 1 0 439.688 7.151 50 0 IKAARO Cc1ccc(-c2nccc(Nc3cccc(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)c3)n2)cc1 ZINC000033025306 556699930 /nfs/dbraw/zinc/69/99/30/556699930.db2.gz IKDBZTJJIXFIGI-NRFANRHFSA-N 1 0 443.595 5.190 50 0 IKAARO C[NH+]1CCC([C@@H]2Oc3ccc(F)cc3Sc3ccc(SC(F)(F)F)cc32)CC1 ZINC000033885922 556719878 /nfs/dbraw/zinc/71/98/78/556719878.db2.gz HQROLBVCISYESA-IBGZPJMESA-N 1 0 429.504 6.364 50 0 IKAARO CC[NH+](CC)CCNC(=O)CS[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000033901594 556723002 /nfs/dbraw/zinc/72/30/02/556723002.db2.gz QBTNOQOPZZOFCJ-OAQYLSRUSA-N 1 0 435.058 5.280 50 0 IKAARO CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000054214476 556729459 /nfs/dbraw/zinc/72/94/59/556729459.db2.gz RWQJIZYNELOIRP-UHFFFAOYSA-N 1 0 444.362 5.041 50 0 IKAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cnn(C(C)C)c2)Cc2cccnc2)CC1 ZINC000055132402 556735719 /nfs/dbraw/zinc/73/57/19/556735719.db2.gz AOUNNAWYVQTXKM-UHFFFAOYSA-N 1 0 431.628 5.082 50 0 IKAARO O=C(c1ccccc1OC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1)N1CCCCC1 ZINC000055198459 556737688 /nfs/dbraw/zinc/73/76/88/556737688.db2.gz SKAYDVLFPAGLMO-UHFFFAOYSA-N 1 0 446.513 5.375 50 0 IKAARO COc1ccc([C@@H](NC(=O)N(CC2CC2)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C(C)C)cc1 ZINC000604404107 556745509 /nfs/dbraw/zinc/74/55/09/556745509.db2.gz JNOSKHWMPVDLKQ-CAOCKLPOSA-N 1 0 427.633 5.078 50 0 biogenic IKAARO CCn1c2ccccc2c2cc(CN3CC[NH+](Cc4cccc5ccccc54)CC3)ccc21 ZINC000019369760 556747322 /nfs/dbraw/zinc/74/73/22/556747322.db2.gz KQUKXRKJVWAHOF-UHFFFAOYSA-N 1 0 433.599 6.285 50 0 IKAARO COc1ccc([C@H]2[NH2+]C[C@@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000083975911 556748617 /nfs/dbraw/zinc/74/86/17/556748617.db2.gz MIBRBZIHVIFGLP-UQBPGWFLSA-N 1 0 444.531 5.027 50 0 IKAARO COc1ccc([C@H]2[NH2+]C[C@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000083975914 556748705 /nfs/dbraw/zinc/74/87/05/556748705.db2.gz MIBRBZIHVIFGLP-KBMIEXCESA-N 1 0 444.531 5.027 50 0 IKAARO Cc1ccc2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1C1(CC[NH+](C(C)C)CC1)O2 ZINC000005297287 556762855 /nfs/dbraw/zinc/76/28/55/556762855.db2.gz DYABFFMLJAJVKY-AREMUKBSSA-N 1 0 425.576 5.892 50 0 IKAARO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[NH2+]CCc1ccccc1 ZINC000003245614 556804735 /nfs/dbraw/zinc/80/47/35/556804735.db2.gz KDGPYAIYZVCZEJ-UHFFFAOYSA-N 1 0 442.968 5.016 50 0 IKAARO CCOc1cc(/C=C/C(=O)NC[C@H](c2ccccc2)[NH+](C)C)ccc1OCc1ccccc1 ZINC000003298419 556811260 /nfs/dbraw/zinc/81/12/60/556811260.db2.gz ITRXRVVYJWRDGF-QQDPUAARSA-N 1 0 444.575 5.097 50 0 IKAARO CC[C@H](C)[N@H+](CCNC(=O)c1sc2ncccc2c1-n1cccc1)Cc1cccs1 ZINC000033059884 556816488 /nfs/dbraw/zinc/81/64/88/556816488.db2.gz GJGRDZCTUSDLIW-KRWDZBQOSA-N 1 0 438.622 5.179 50 0 IKAARO C(\c1ccccc1)=C1\CCCC2=C1O[C@]1([NH+]3CCCC3)CCCC[C@@H]1[C@@H]2c1ccccc1 ZINC000063603928 556821516 /nfs/dbraw/zinc/82/15/16/556821516.db2.gz ASDJDGGAASGMTI-YLRMPYMZSA-N 1 0 425.616 7.304 50 0 IKAARO C(\c1ccccc1)=C1\CCCC2=C1O[C@]1([NH+]3CCCC3)CCCC[C@H]1[C@@H]2c1ccccc1 ZINC000063603932 556821564 /nfs/dbraw/zinc/82/15/64/556821564.db2.gz ASDJDGGAASGMTI-YLGLPMSFSA-N 1 0 425.616 7.304 50 0 IKAARO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000019607710 556831183 /nfs/dbraw/zinc/83/11/83/556831183.db2.gz OTFVIQMRVGDLTO-UHFFFAOYSA-N 1 0 446.501 5.359 50 0 IKAARO C[C@@H]1CCc2sc3ncnc(N4CC[NH+](Cc5cccc6ccccc65)CC4)c3c2C1 ZINC000019682054 556841870 /nfs/dbraw/zinc/84/18/70/556841870.db2.gz SGRGRILEIUCSQH-GOSISDBHSA-N 1 0 428.605 5.292 50 0 IKAARO COc1cc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c(Cl)cc1O ZINC000067741805 556846210 /nfs/dbraw/zinc/84/62/10/556846210.db2.gz BCLCSDBUZXICKY-UHFFFAOYSA-N 1 0 444.019 5.106 50 0 IKAARO COc1cc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)ccc1F ZINC000067856598 556847292 /nfs/dbraw/zinc/84/72/92/556847292.db2.gz LZKPFKZAURABKJ-HSZRJFAPSA-N 1 0 425.592 5.276 50 0 IKAARO O=C(NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000033126156 556866698 /nfs/dbraw/zinc/86/66/98/556866698.db2.gz ZGHURYTYLBEGMH-QHCPKHFHSA-N 1 0 435.999 5.270 50 0 IKAARO O=C(NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000033126154 556866750 /nfs/dbraw/zinc/86/67/50/556866750.db2.gz ZGHURYTYLBEGMH-HSZRJFAPSA-N 1 0 435.999 5.270 50 0 IKAARO Cc1cccc(-c2cc3[nH]c(C[N@H+](Cc4ccc(C(C)C)cc4)CC(C)C)cc(=O)n3n2)c1 ZINC000033126323 556866893 /nfs/dbraw/zinc/86/68/93/556866893.db2.gz KIUHWJHKVXYFRP-UHFFFAOYSA-N 1 0 442.607 5.780 50 0 IKAARO CC1(C)Cc2c3c(ncn4nc(-c5cc6ccccc6cc5O)nc34)sc2C(C)(C)[NH2+]1 ZINC000019708506 556869348 /nfs/dbraw/zinc/86/93/48/556869348.db2.gz CAELGYDQNNLYJP-UHFFFAOYSA-N 1 0 429.549 5.024 50 0 IKAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000004700443 556887183 /nfs/dbraw/zinc/88/71/83/556887183.db2.gz IZEBWUONDPBWSO-UHFFFAOYSA-N 1 0 428.576 5.740 50 0 IKAARO CCOc1ccccc1C[N@H+](CCc1ccc2c(c1)OCO2)Cc1cccc(OC)c1OC ZINC000019841343 556929873 /nfs/dbraw/zinc/92/98/73/556929873.db2.gz VHJPMBFXSFVNMW-UHFFFAOYSA-N 1 0 449.547 5.076 50 0 biogenic IKAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000019853674 556931141 /nfs/dbraw/zinc/93/11/41/556931141.db2.gz SQDNSYOYZJOLIH-HNNXBMFYSA-N 1 0 438.320 7.322 50 0 IKAARO c1ccc(C(c2ccccc2)[NH+]2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc1 ZINC000019854704 556931193 /nfs/dbraw/zinc/93/11/93/556931193.db2.gz HLQWNCZYFBXKNE-UHFFFAOYSA-N 1 0 440.616 5.482 50 0 IKAARO COc1ccc(Br)cc1CN1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000019889504 556938879 /nfs/dbraw/zinc/93/88/79/556938879.db2.gz XDTQIHHVOIOJKX-UHFFFAOYSA-N 1 0 443.429 5.302 50 0 IKAARO OCC1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2ccc3cc(F)ccc3n2)CC1 ZINC000019938836 556952950 /nfs/dbraw/zinc/95/29/50/556952950.db2.gz QHHPULXMORCFKV-UHFFFAOYSA-N 1 0 432.461 5.210 50 0 IKAARO Cc1cccc(CSCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000019952457 556954545 /nfs/dbraw/zinc/95/45/45/556954545.db2.gz JVSLUQILMQTIQA-UHFFFAOYSA-N 1 0 430.617 5.217 50 0 IKAARO CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032254 557024638 /nfs/dbraw/zinc/02/46/38/557024638.db2.gz FBVFOTTZJKLHAQ-UHFFFAOYSA-N 1 0 431.005 5.264 50 0 IKAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055495 557027416 /nfs/dbraw/zinc/02/74/16/557027416.db2.gz IOUDINSMKGCWNF-IBGZPJMESA-N 1 0 438.015 5.470 50 0 IKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NCCC(C)C)CC2)cc2ccccc21 ZINC000046055794 557027630 /nfs/dbraw/zinc/02/76/30/557027630.db2.gz CERGCWUNEUSCJD-UHFFFAOYSA-N 1 0 431.624 5.372 50 0 IKAARO CCCCN(C)C(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2C)CC1 ZINC000046055766 557027780 /nfs/dbraw/zinc/02/77/80/557027780.db2.gz OIYXKNBUMVZBBS-UHFFFAOYSA-N 1 0 431.624 5.469 50 0 IKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NCc3ccco3)CC2)cc2ccccc21 ZINC000046055779 557027808 /nfs/dbraw/zinc/02/78/08/557027808.db2.gz XAPCCVUPDIKQAT-UHFFFAOYSA-N 1 0 441.575 5.119 50 0 IKAARO CC[N@@H+]1CCC[C@@H]1CN[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000022932348 557050506 /nfs/dbraw/zinc/05/05/06/557050506.db2.gz SUMBPUAQPZQJBA-YLJYHZDGSA-N 1 0 439.909 5.113 50 0 IKAARO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCCc3ncc(-c4ccccc4)o3)cc2)C1 ZINC000048286724 557053013 /nfs/dbraw/zinc/05/30/13/557053013.db2.gz HEBOOVWOUMFNKF-OAQYLSRUSA-N 1 0 431.580 5.213 50 0 IKAARO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000017314968 557053130 /nfs/dbraw/zinc/05/31/30/557053130.db2.gz JNKJUTUSUVTHDC-CQSZACIVSA-N 1 0 433.766 6.750 50 0 IKAARO O=c1cc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)nc2scc(-c3ccccc3)n21 ZINC000048286629 557058445 /nfs/dbraw/zinc/05/84/45/557058445.db2.gz YQKNAPNJLIZIDL-UHFFFAOYSA-N 1 0 440.572 5.284 50 0 IKAARO CC1CC[NH+](Cc2ccc(CNC(=O)CCCc3ncc(-c4ccccc4)o3)cc2)CC1 ZINC000048300106 557062068 /nfs/dbraw/zinc/06/20/68/557062068.db2.gz OZRXIMQGRXPXKO-UHFFFAOYSA-N 1 0 431.580 5.213 50 0 IKAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCCc2ncc(-c3ccccc3)o2)cc1 ZINC000048313814 557067485 /nfs/dbraw/zinc/06/74/85/557067485.db2.gz CURGSKWSCMEMEF-OAQYLSRUSA-N 1 0 431.580 5.355 50 0 IKAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCCc2ncc(-c3ccccc3)o2)cc1 ZINC000048313817 557067568 /nfs/dbraw/zinc/06/75/68/557067568.db2.gz CURGSKWSCMEMEF-NRFANRHFSA-N 1 0 431.580 5.355 50 0 IKAARO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[NH+]1CCC(OCc2ccccn2)CC1 ZINC000023338215 557085252 /nfs/dbraw/zinc/08/52/52/557085252.db2.gz DPJPFBIYBQYBOJ-UHFFFAOYSA-N 1 0 439.559 5.893 50 0 IKAARO c1sc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)nc1-c1ccccc1 ZINC000023368623 557088397 /nfs/dbraw/zinc/08/83/97/557088397.db2.gz UXCVXTFOZDJUIM-UHFFFAOYSA-N 1 0 446.664 5.862 50 0 IKAARO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]CCN2CCOCC2)c(Cl)c1 ZINC000023469463 557093622 /nfs/dbraw/zinc/09/36/22/557093622.db2.gz UGKLMWWJTGFCLY-UHFFFAOYSA-N 1 0 445.390 5.147 50 0 IKAARO O=C(C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1)N1CCCC1 ZINC000049535960 557110188 /nfs/dbraw/zinc/11/01/88/557110188.db2.gz HPFNSAGBEJFZIN-UHFFFAOYSA-N 1 0 435.999 5.177 50 0 IKAARO O=C(NC1CCCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000049535956 557110226 /nfs/dbraw/zinc/11/02/26/557110226.db2.gz RHWPEOHTPWNJCL-UHFFFAOYSA-N 1 0 429.608 5.351 50 0 IKAARO O=C(NC1CCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000049535984 557110410 /nfs/dbraw/zinc/11/04/10/557110410.db2.gz XNYQGNVEXOGVEA-UHFFFAOYSA-N 1 0 433.571 5.100 50 0 IKAARO CC(C)CCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000049535986 557110440 /nfs/dbraw/zinc/11/04/40/557110440.db2.gz UGFMISPGSSUGCU-UHFFFAOYSA-N 1 0 435.587 5.203 50 0 IKAARO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc1 ZINC000002421445 557130229 /nfs/dbraw/zinc/13/02/29/557130229.db2.gz KYVWHOUGNSMFTK-RYRVMRHHSA-N 1 0 444.575 5.155 50 0 IKAARO COc1cc(C)c(C[NH2+]C[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)cc1C ZINC000016949682 557158426 /nfs/dbraw/zinc/15/84/26/557158426.db2.gz VMJLCNHZCSRTJT-DYIKCSJPSA-N 1 0 433.680 7.236 50 0 IKAARO CC[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(c1nc(-c3ccc(OC)cc3)cs1)[NH2+]2 ZINC000016957498 557158848 /nfs/dbraw/zinc/15/88/48/557158848.db2.gz VJMQHCUMDADTEK-PEELUZDISA-N 1 0 425.476 5.072 50 0 IKAARO C[C@](O)(c1ccccc1Cl)[C@H](c1ccc(OCC[NH+]2CCCC2)cc1)c1ccccn1 ZINC000095918064 557161283 /nfs/dbraw/zinc/16/12/83/557161283.db2.gz HFTLWXIJZPQFAT-FTJBHMTQSA-N 1 0 436.983 5.249 50 0 IKAARO COc1ccc(/C(=C(/c2ccccc2)[N+](=O)[O-])c2ccc(OCCCC[NH+](C)C)cc2)cc1 ZINC000095918087 557161745 /nfs/dbraw/zinc/16/17/45/557161745.db2.gz NWBVALKFJLGJRY-CYYJNZCTSA-N 1 0 446.547 5.609 50 0 IKAARO Cc1ccc(OC2=CC[N@H+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000095918152 557161762 /nfs/dbraw/zinc/16/17/62/557161762.db2.gz HRBTTZXVGUZBIH-UHFFFAOYSA-N 1 0 433.542 6.854 50 0 IKAARO CC1(C)CC(N2CCCCC2)=CC(=[N+]2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000025326274 557204071 /nfs/dbraw/zinc/20/40/71/557204071.db2.gz OPIOXTMHCOVXII-UHFFFAOYSA-N 1 0 442.671 5.735 50 0 IKAARO COc1cccc([C@@H]2C[NH2+][C@@H](c3ccc(SC)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000025480341 557211758 /nfs/dbraw/zinc/21/17/58/557211758.db2.gz YUWKNXAQUIIHLZ-RDPSFJRHSA-N 1 0 430.573 5.732 50 0 IKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023315680 557214501 /nfs/dbraw/zinc/21/45/01/557214501.db2.gz UGZNPKSIWGMDLV-SFHVURJKSA-N 1 0 439.003 5.637 50 0 IKAARO CC(C)(C)c1ccc([C@H]2[NH2+]C[C@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025719545 557223361 /nfs/dbraw/zinc/22/33/61/557223361.db2.gz JZQOEUZYAMGYPE-PXDATVDWSA-N 1 0 449.425 7.597 50 0 IKAARO O=C1C2[C@H](c3ccccc3)[NH2+][C@H](c3ccccc3)C1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 ZINC000097797809 557226293 /nfs/dbraw/zinc/22/62/93/557226293.db2.gz ITTQAMYBEGYMAS-YDUVBQQJSA-N 1 0 444.578 5.960 50 0 in-vitro IKAARO C[C@H]([NH3+])[C@@H](c1ccccc1)P1Cc2ccc3ccccc3c2-c2c(ccc3ccccc32)C1 ZINC000098072777 557233045 /nfs/dbraw/zinc/23/30/45/557233045.db2.gz BHRXRWRXVSJNML-BGOLNKOXSA-N 1 0 445.546 8.244 50 0 IKAARO CC(C)[NH2+]C1C(c2ccccc2)C(c2ccccc2)C(c2ccccc2)C1c1ccccc1 ZINC000100032972 557238133 /nfs/dbraw/zinc/23/81/33/557238133.db2.gz LDMSUUUOBZTJGN-UHFFFAOYSA-N 1 0 426.583 7.021 50 0 IKAARO O=C(Nc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1)c1ccc(Cl)cc1 ZINC000027062516 557256359 /nfs/dbraw/zinc/25/63/59/557256359.db2.gz ASTJQGWCDYKJKV-SIKLNZKXSA-N 1 0 426.944 5.014 50 0 IKAARO Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027581937 557266509 /nfs/dbraw/zinc/26/65/09/557266509.db2.gz QFICAYOSCHINED-OAQYLSRUSA-N 1 0 428.935 5.881 50 0 IKAARO Cc1ccc(C[NH+]2CCN(c3cc(C(C)C)nc4c(-c5ccccc5)cnn43)CC2)c(C)c1 ZINC000027585274 557266800 /nfs/dbraw/zinc/26/68/00/557266800.db2.gz YHDKQCZEJDIFAV-UHFFFAOYSA-N 1 0 439.607 5.459 50 0 IKAARO CCCc1cc(N2CC[NH+](Cc3ccc(C)cc3C)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000027585179 557266933 /nfs/dbraw/zinc/26/69/33/557266933.db2.gz APAMRCXYOOGRIB-UHFFFAOYSA-N 1 0 439.607 5.288 50 0 IKAARO COc1ccc([C@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)[NH+]2CCCCCC2)cc1 ZINC000027664221 557270221 /nfs/dbraw/zinc/27/02/21/557270221.db2.gz ZJYJHEPIQHFFOD-QFIPXVFZSA-N 1 0 440.971 5.750 50 0 IKAARO COc1ccccc1Nc1c2cc(NC(=O)CCC3CCCC3)ccc2[nH+]c2c1CCCC2 ZINC000101482963 557287951 /nfs/dbraw/zinc/28/79/51/557287951.db2.gz FBYNMOKOGKDZFU-UHFFFAOYSA-N 1 0 443.591 6.775 50 0 IKAARO C[C@@H]([NH2+]CC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1cccc2ccccc21 ZINC000014185778 557314721 /nfs/dbraw/zinc/31/47/21/557314721.db2.gz UXLOQKRHQLCPRE-GOSISDBHSA-N 1 0 429.589 5.506 50 0 IKAARO CC[NH+](CC)CCCNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023328077 557315311 /nfs/dbraw/zinc/31/53/11/557315311.db2.gz TWCJNWWAMFXRLR-UHFFFAOYSA-N 1 0 444.501 5.224 50 0 IKAARO O=C(Cc1csc(-c2ccsc2)n1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000032841401 557316807 /nfs/dbraw/zinc/31/68/07/557316807.db2.gz MXWQIQAJGINEMD-LJQANCHMSA-N 1 0 432.014 5.021 50 0 IKAARO CC1(C)CC(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)CC(C)(C)[NH2+]1 ZINC000102724118 557369219 /nfs/dbraw/zinc/36/92/19/557369219.db2.gz NTRCCZHLDOMMRV-UHFFFAOYSA-N 1 0 431.005 5.335 50 0 IKAARO COc1ccc(C[NH2+]CCC2(c3ccc(F)cc3)C[C@@H](C(C)C)O[C@H](C(C)C)C2)cc1 ZINC000524733757 557370886 /nfs/dbraw/zinc/37/08/86/557370886.db2.gz NIMPBDJZPIXJPN-UIOOFZCWSA-N 1 0 427.604 6.112 50 0 IKAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@@H](C)C4=C[C@@H]23)CC1 ZINC000247882597 557389316 /nfs/dbraw/zinc/38/93/16/557389316.db2.gz RSUMDFBTCAAZNY-JPZSOZPVSA-N 1 0 443.031 5.085 50 0 IKAARO O=S1(=O)CC[C@H]([n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)C1 ZINC000023989349 557390153 /nfs/dbraw/zinc/39/01/53/557390153.db2.gz OBFSIBQTTJEMEJ-VWLOTQADSA-N 1 0 426.561 5.335 50 0 IKAARO Cc1ccc(C)c(C[N@@H+](CC(=O)N2CCS[C@@H]2c2ccccc2Cl)CC(C)C)c1 ZINC000004893673 557401862 /nfs/dbraw/zinc/40/18/62/557401862.db2.gz SJECTAKCDLDRLH-XMMPIXPASA-N 1 0 431.045 5.689 50 0 IKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3cc4cc5ccc(C)cc5nc4o3)CC2)c1 ZINC000004906995 557403295 /nfs/dbraw/zinc/40/32/95/557403295.db2.gz CLCRASCYUFMXGU-UHFFFAOYSA-N 1 0 427.548 5.240 50 0 IKAARO CCCCC[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1cccc(OC)c1 ZINC000103550296 557438560 /nfs/dbraw/zinc/43/85/60/557438560.db2.gz QFILAZDOFCAJFI-IBHPWDLASA-N 1 0 443.631 6.897 50 0 IKAARO C(\c1ccccc1)=C1/CCCC2=C1O[C@]1([NH+]3CCCCC3)CCCC[C@@H]1[C@H]2c1ccccc1 ZINC000103938683 557442785 /nfs/dbraw/zinc/44/27/85/557442785.db2.gz XHZACPFETSQKJX-IHNSOLDKSA-N 1 0 439.643 7.694 50 0 IKAARO Cc1cc(C[N@H+]2C[C@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c3cccc(F)c3)C2)oc1C ZINC000105050489 557474314 /nfs/dbraw/zinc/47/43/14/557474314.db2.gz CPBCGTTWUREHCM-RCZVLFRGSA-N 1 0 428.592 5.392 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccc2F)[NH+]2CCCCC2)c1C ZINC000038545983 557591081 /nfs/dbraw/zinc/59/10/81/557591081.db2.gz WLPCNOHTPIXXBF-OAQYLSRUSA-N 1 0 428.598 6.393 50 0 IKAARO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC000225730769 557770001 /nfs/dbraw/zinc/77/00/01/557770001.db2.gz IOUJGBREMNGEFX-UHFFFAOYSA-N 1 0 439.600 5.123 50 0 IKAARO O=C(Nc1cccc(C[NH2+]C[C@@H](c2cccs2)N2CCCC2)c1)c1ccccc1Cl ZINC000024981479 557822247 /nfs/dbraw/zinc/82/22/47/557822247.db2.gz RFLKNHGOPZVHLK-QFIPXVFZSA-N 1 0 440.012 5.581 50 0 IKAARO COC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000000858011 557831623 /nfs/dbraw/zinc/83/16/23/557831623.db2.gz JDURBBIMPRQARK-UHFFFAOYSA-N 1 0 442.559 5.180 50 0 IKAARO Cn1c(CSc2nc3ccccc3s2)nn(CN2CCC[C@@H]3CCCC[C@H]32)c1=S ZINC000229999412 557835004 /nfs/dbraw/zinc/83/50/04/557835004.db2.gz AWGRFAHOYQYNSJ-DOTOQJQBSA-N 1 0 445.683 5.465 50 0 IKAARO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2ccc(C)cc2C)C3)c1OC ZINC000014991898 557837262 /nfs/dbraw/zinc/83/72/62/557837262.db2.gz HWAORQLZUTWDFP-UHFFFAOYSA-N 1 0 433.548 5.391 50 0 IKAARO CN1c2ccccc2C(C)(C)/C1=C\C=C1\C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)CC1 ZINC000685944735 557839265 /nfs/dbraw/zinc/83/92/65/557839265.db2.gz ZCADIPBWDHBZPP-UHFFFAOYSA-N 1 0 435.635 7.207 50 0 IKAARO COc1ccc(NC(=O)[C@@H]2CC[C@H](c3ccccc3)[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034669827 557848096 /nfs/dbraw/zinc/84/80/96/557848096.db2.gz PYMSULKAMRDHTH-ATIYNZHBSA-N 1 0 430.548 5.296 50 0 IKAARO COc1ccc2[nH+]c(C)cc(Nc3ccc(Oc4ccc5ccccc5c4)c(Cl)c3)c2c1 ZINC000002031301 562925612 /nfs/dbraw/zinc/92/56/12/562925612.db2.gz XMCGZKAHUKOWQN-UHFFFAOYSA-N 1 0 440.930 7.894 50 0 IKAARO CCc1ccc(Sc2cc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)c3ccccc3n2)cc1 ZINC000002941376 562930971 /nfs/dbraw/zinc/93/09/71/562930971.db2.gz RLOSYNULPLNJGI-HXUWFJFHSA-N 1 0 447.648 5.800 50 0 IKAARO O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000003205707 562932706 /nfs/dbraw/zinc/93/27/06/562932706.db2.gz XIRMZNKBAGVWMK-XMMPIXPASA-N 1 0 442.386 5.519 50 0 IKAARO Cc1ccccc1OCc1n(C)c2ccccc2[n+]1CC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000006444202 562946681 /nfs/dbraw/zinc/94/66/81/562946681.db2.gz OHZBSGJYECCCNY-RQNQAMLKSA-N 1 0 449.615 5.357 50 0 IKAARO O=C(NCCC[NH+]1CCCCC1)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000008587626 562950395 /nfs/dbraw/zinc/95/03/95/562950395.db2.gz HHUHTYPDNPXLCS-UHFFFAOYSA-N 1 0 428.001 5.578 50 0 IKAARO Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000008597505 562953993 /nfs/dbraw/zinc/95/39/93/562953993.db2.gz ONUKZKVMJFOYII-UHFFFAOYSA-N 1 0 437.971 5.140 50 0 IKAARO COc1ccccc1Nc1c2cc(NC(=O)c3ccccc3F)ccc2[nH+]c2c1CCCC2 ZINC000008599944 562954919 /nfs/dbraw/zinc/95/49/19/562954919.db2.gz PDHXFZIAYSNCBQ-UHFFFAOYSA-N 1 0 441.506 6.257 50 0 IKAARO CCOc1ccc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)C[N@@H+](CC)CC3)cc1 ZINC000008619119 562959835 /nfs/dbraw/zinc/95/98/35/562959835.db2.gz SSJKNHHNQHOGKG-KRWDZBQOSA-N 1 0 438.597 5.198 50 0 IKAARO Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3sc4ccccc4c3Cl)nc21 ZINC000008683821 562962009 /nfs/dbraw/zinc/96/20/09/562962009.db2.gz NBXRLWDFHUWPPG-UHFFFAOYSA-N 1 0 444.025 6.071 50 0 IKAARO C[NH+](C)CCCN(C(=O)c1sc2ccccc2c1Cl)c1nc2ccc(F)cc2s1 ZINC000008683831 562962067 /nfs/dbraw/zinc/96/20/67/562962067.db2.gz FHMZXWCLDIAJDK-UHFFFAOYSA-N 1 0 447.988 5.902 50 0 IKAARO C[NH+](C)CCCN(C(=O)c1sc2ccccc2c1Cl)c1nc2c(cccc2F)s1 ZINC000008683835 562962087 /nfs/dbraw/zinc/96/20/87/562962087.db2.gz FCBPZZFYLRYASX-UHFFFAOYSA-N 1 0 447.988 5.902 50 0 IKAARO O=C(Nc1ccc2c(c1)OCO2)[C@H](c1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009834640 562977366 /nfs/dbraw/zinc/97/73/66/562977366.db2.gz LHGAFTCJNAAMRS-SANMLTNESA-N 1 0 428.532 5.050 50 0 IKAARO CCOc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc4c(c3)CCCC4)sc2c1 ZINC000010067598 562978367 /nfs/dbraw/zinc/97/83/67/562978367.db2.gz FEQSHWFAEKVGMW-UHFFFAOYSA-N 1 0 437.609 5.172 50 0 IKAARO CC[NH+](CC)CCN(C(=O)c1ccc2ccccc2c1)c1nc2cc3c(cc2s1)OCO3 ZINC000010066881 562978402 /nfs/dbraw/zinc/97/84/02/562978402.db2.gz VYOFWYYZKFXVFT-UHFFFAOYSA-N 1 0 447.560 5.167 50 0 IKAARO CCOc1ccc2nc(N(CC[NH+](CC)CC)C(=O)/C=C/c3cccs3)sc2c1 ZINC000010066473 562978422 /nfs/dbraw/zinc/97/84/22/562978422.db2.gz WOWPJVSYYOBQTG-ZRDIBKRKSA-N 1 0 429.611 5.145 50 0 IKAARO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)c(C)c1C ZINC000011661974 562978890 /nfs/dbraw/zinc/97/88/90/562978890.db2.gz KHTYYLMIFQDGNX-UHFFFAOYSA-N 1 0 445.563 5.350 50 0 IKAARO COc1ccc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cc1OC1CC[NH+](C(C)C)CC1 ZINC000011879565 562979739 /nfs/dbraw/zinc/97/97/39/562979739.db2.gz IYYVUDMDQUPJOJ-XMMPIXPASA-N 1 0 436.596 5.096 50 0 IKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000015880074 563018218 /nfs/dbraw/zinc/01/82/18/563018218.db2.gz UGTIEFUTIKZRTB-DABWLCNRSA-N 1 0 449.620 5.156 50 0 IKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)Cc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017113392 563021329 /nfs/dbraw/zinc/02/13/29/563021329.db2.gz KYTBNQFAQDMKHH-UHFFFAOYSA-N 1 0 447.629 5.973 50 0 IKAARO CCOc1ccccc1NC(=O)[C@@H](NCC1([NH+]2CCCCC2)CCCCC1)c1ccccc1 ZINC000039944128 563099287 /nfs/dbraw/zinc/09/92/87/563099287.db2.gz WHJCOBIQSLFYJH-SANMLTNESA-N 1 0 449.639 5.544 50 0 IKAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(I)cc3)c2c1 ZINC000000952826 568645814 /nfs/dbraw/zinc/64/58/14/568645814.db2.gz IGTOZKAMVWYRBK-UHFFFAOYSA-N 1 0 432.261 5.068 50 0 IKAARO O=C(Nc1ccc(C(=O)OC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1)c1ccc(Cl)cc1 ZINC000001001085 568650062 /nfs/dbraw/zinc/65/00/62/568650062.db2.gz ASTJQGWCDYKJKV-DENIHFKCSA-N 1 0 426.944 5.014 50 0 IKAARO Cc1cc(OC[C@@H](O)C[NH2+]CCc2ccc(Cl)cc2Cl)c(C(C)C)cc1Cl ZINC000003352192 568746897 /nfs/dbraw/zinc/74/68/97/568746897.db2.gz LPUOYVDHRDAYQB-KRWDZBQOSA-N 1 0 430.803 5.651 50 0 IKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccccc2OC)[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000004027902 568758749 /nfs/dbraw/zinc/75/87/49/568758749.db2.gz IGJZWRNLGLPQPE-NHCUHLMSSA-N 1 0 427.585 5.181 50 0 biogenic IKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccccc2OC)[C@H]2CCOC(C)(C)C2)cc1OC ZINC000004027903 568758781 /nfs/dbraw/zinc/75/87/81/568758781.db2.gz IGJZWRNLGLPQPE-LEWJYISDSA-N 1 0 427.585 5.181 50 0 biogenic IKAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(c2ccc(OC)cc2)CCO1 ZINC000004027798 568758854 /nfs/dbraw/zinc/75/88/54/568758854.db2.gz OCZJOJKHSMJOSE-CLJLJLNGSA-N 1 0 427.585 5.109 50 0 biogenic IKAARO Cc1ccccc1Cn1cc(CCC(=O)NCCC[NH+]2[C@H](C)CCC[C@H]2C)c2ccccc21 ZINC000015678425 568805116 /nfs/dbraw/zinc/80/51/16/568805116.db2.gz FXJSUQSZYLNGIQ-DNQXCXABSA-N 1 0 445.651 5.700 50 0 IKAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2cc(-c3ccccc3)c(N3CCCCC3)s2)C1 ZINC000015732234 568815016 /nfs/dbraw/zinc/81/50/16/568815016.db2.gz WEDMEFRCVRYXNG-FQEVSTJZSA-N 1 0 425.642 5.257 50 0 IKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCSc3ccccc32)s1 ZINC000015733604 568815810 /nfs/dbraw/zinc/81/58/10/568815810.db2.gz XOQQTVIUBCNMDN-UHFFFAOYSA-N 1 0 449.645 5.386 50 0 IKAARO Fc1ccc([C@H](NC2CC[NH+](Cc3ccccc3)CC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000015733628 568815897 /nfs/dbraw/zinc/81/58/97/568815897.db2.gz LBEZSDPDQZDFNO-VWLOTQADSA-N 1 0 442.538 5.219 50 0 IKAARO Cc1ccc(F)c(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@@H](CN(CC(C)C)C(=O)C(C)C)C2)c1 ZINC000034740460 568824540 /nfs/dbraw/zinc/82/45/40/568824540.db2.gz BFMPFGNAXIQXGE-NOZRDPDXSA-N 1 0 442.594 5.629 50 0 IKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649572 568831043 /nfs/dbraw/zinc/83/10/43/568831043.db2.gz REVXFUVDDXRASR-IBGZPJMESA-N 1 0 447.558 5.021 50 0 IKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649570 568831075 /nfs/dbraw/zinc/83/10/75/568831075.db2.gz REVXFUVDDXRASR-LJQANCHMSA-N 1 0 447.558 5.021 50 0 IKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649814 568831257 /nfs/dbraw/zinc/83/12/57/568831257.db2.gz FWUFKMHHZSQPSQ-LJQANCHMSA-N 1 0 447.558 5.021 50 0 IKAARO C[N@H+](CCCNC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1)Cc1ccccc1 ZINC000085651186 568831893 /nfs/dbraw/zinc/83/18/93/568831893.db2.gz MXHLYWNNUQSNFY-UHFFFAOYSA-N 1 0 448.954 5.477 50 0 IKAARO COC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc2c1CCN(Cc1ccccc1)C2 ZINC000015823461 568840260 /nfs/dbraw/zinc/84/02/60/568840260.db2.gz UKHNGLTUAAAPSW-UHFFFAOYSA-N 1 0 446.981 5.060 50 0 IKAARO O=C(Nc1c2ccccc2oc1[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1ccco1 ZINC000015859316 568847135 /nfs/dbraw/zinc/84/71/35/568847135.db2.gz KREWCCDZEJDJID-QHCPKHFHSA-N 1 0 434.923 6.507 50 0 IKAARO O=C(Nc1c2ccccc2oc1[C@H](c1ccccc1Cl)[NH+]1CCCCC1)c1ccccc1 ZINC000015859502 568847443 /nfs/dbraw/zinc/84/74/43/568847443.db2.gz GLXGYGKOJJCKKS-VWLOTQADSA-N 1 0 444.962 6.914 50 0 IKAARO CC1CC[NH+]([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2cccc(F)c2)CC1 ZINC000015859519 568847468 /nfs/dbraw/zinc/84/74/68/568847468.db2.gz FUJHBMODLPMDIT-SANMLTNESA-N 1 0 442.534 6.646 50 0 IKAARO COc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000015859453 568847603 /nfs/dbraw/zinc/84/76/03/568847603.db2.gz LPDDFTYZRHFDPV-AREMUKBSSA-N 1 0 440.543 6.269 50 0 IKAARO CC1CC[NH+]([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccccc2)CC1 ZINC000015859368 568847699 /nfs/dbraw/zinc/84/76/99/568847699.db2.gz ZVMQKLDVZLVEQQ-XMMPIXPASA-N 1 0 430.573 6.568 50 0 IKAARO CC1CC[NH+]([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccccc2F)CC1 ZINC000015859524 568847904 /nfs/dbraw/zinc/84/79/04/568847904.db2.gz KMRDPROUERTBGC-AREMUKBSSA-N 1 0 442.534 6.646 50 0 IKAARO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)c3cc(C)ccc3[nH]2)cc1OC ZINC000015862342 568848596 /nfs/dbraw/zinc/84/85/96/568848596.db2.gz DRJMOJRTEAKFKU-UHFFFAOYSA-N 1 0 428.532 5.056 50 0 IKAARO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)c3c(C)cc(C)cc3[nH]2)cc1OC ZINC000015862344 568848721 /nfs/dbraw/zinc/84/87/21/568848721.db2.gz YKYCIPMPHLHZPS-UHFFFAOYSA-N 1 0 442.559 5.365 50 0 IKAARO CC1CC[NH+](Cc2nc3cc(NC(=O)COc4ccccc4C(C)(C)C)ccc3n2C)CC1 ZINC000026121052 568852206 /nfs/dbraw/zinc/85/22/06/568852206.db2.gz MHXFEYMXVKGXPW-UHFFFAOYSA-N 1 0 448.611 5.120 50 0 IKAARO Cc1cc(C)c(-n2nnnc2C2([NH2+]CCc3c[nH]c4ccccc34)CCCCC2)c(C)c1 ZINC000575443603 568869633 /nfs/dbraw/zinc/86/96/33/568869633.db2.gz DOSXKMQQEOKMQN-UHFFFAOYSA-N 1 0 428.584 5.061 50 0 IKAARO Cc1cc2c(cc1-c1ccnc(N3CC[NH+](Cc4ccccc4)CC3)n1)[C@H](C)CC(C)(C)N2 ZINC000575473060 568873242 /nfs/dbraw/zinc/87/32/42/568873242.db2.gz BBLQEWLUKBAHME-OAQYLSRUSA-N 1 0 441.623 5.472 50 0 IKAARO C[C@@H]([NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000006267292 568881291 /nfs/dbraw/zinc/88/12/91/568881291.db2.gz GCRHWPGUIYJISV-QOHRDKRTSA-N 1 0 425.616 7.113 50 0 IKAARO Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](c1csc2ccccc12)[NH+](C)C ZINC000575622503 568883140 /nfs/dbraw/zinc/88/31/40/568883140.db2.gz ZGVRXYVCDSVRIN-LJQANCHMSA-N 1 0 439.968 5.551 50 0 IKAARO Cc1ccc([C@@H](CC[NH2+]Cc2ccc(OC(C)C)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001830589 568915986 /nfs/dbraw/zinc/91/59/86/568915986.db2.gz FRPNQBNPDZCRET-GDLZYMKVSA-N 1 0 431.620 6.881 50 0 biogenic IKAARO C[N@H+](CCNC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21)Cc1ccccc1 ZINC000064657772 568942364 /nfs/dbraw/zinc/94/23/64/568942364.db2.gz NRLBTNXOHFYHMP-UHFFFAOYSA-N 1 0 437.996 5.271 50 0 IKAARO Cc1cccc(OCc2nc(CN(CC[NH+]3CCCCC3)C(=O)CC(C)C)cs2)c1C ZINC000036116599 568955751 /nfs/dbraw/zinc/95/57/51/568955751.db2.gz VVXQZCVCRKSPAL-UHFFFAOYSA-N 1 0 443.657 5.200 50 0 IKAARO CCC(=O)N(CC[NH+]1CCCCC1)Cc1csc(COc2ccccc2C(C)C)n1 ZINC000036116613 568955794 /nfs/dbraw/zinc/95/57/94/568955794.db2.gz NCNJZQZXTRJOEC-UHFFFAOYSA-N 1 0 429.630 5.070 50 0 IKAARO O[C@@H](C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccccc1 ZINC000036146313 568962261 /nfs/dbraw/zinc/96/22/61/568962261.db2.gz RXGRISKPTXXVQF-ZCYQVOJMSA-N 1 0 438.930 5.208 50 0 IKAARO CC(C)[N@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1cccs1 ZINC000036154648 568964764 /nfs/dbraw/zinc/96/47/64/568964764.db2.gz KWENEUZBHXPZHY-UHFFFAOYSA-N 1 0 429.632 6.159 50 0 IKAARO CCOc1ccc([C@@](O)(c2cccc(C)c2)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744224 568971311 /nfs/dbraw/zinc/97/13/11/568971311.db2.gz OTVJEEAANZZNLQ-URLMMPGGSA-N 1 0 429.604 5.899 50 0 IKAARO CCOc1ccc([C@](O)(c2cccc(C)c2)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744232 568971315 /nfs/dbraw/zinc/97/13/15/568971315.db2.gz OTVJEEAANZZNLQ-VMPREFPWSA-N 1 0 429.604 5.899 50 0 IKAARO COc1ccc([C@](O)(c2ccccc2OC)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744384 568971348 /nfs/dbraw/zinc/97/13/48/568971348.db2.gz FEYQZQXTRFNYRT-XCZPVHLTSA-N 1 0 431.576 5.209 50 0 IKAARO CCC[N@@H+](Cc1ccsc1)Cc1ccc(C(O)(c2cccs2)c2cccs2)o1 ZINC000036202938 568972421 /nfs/dbraw/zinc/97/24/21/568972421.db2.gz AAULKARXUILTTL-UHFFFAOYSA-N 1 0 429.632 6.161 50 0 IKAARO Cc1ccsc1C[N@H+]1C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c2cccc(F)c2)C1 ZINC000169679926 568990529 /nfs/dbraw/zinc/99/05/29/568990529.db2.gz QHFBKWCRDQTFGI-JTHBVZDNSA-N 1 0 430.633 5.552 50 0 IKAARO Cc1ccsc1C[N@H+]1C[C@@H](CN(C(=O)c2ccccc2)C(C)C)[C@@H](c2ccccc2C)C1 ZINC000169679262 568990856 /nfs/dbraw/zinc/99/08/56/568990856.db2.gz FGWTXUFTMJQVOO-AHWVRZQESA-N 1 0 446.660 6.131 50 0 IKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(C(=O)c3ccccc3)C(C)C)[C@@H](c3ccccc3C)C2)o1 ZINC000169679540 568991037 /nfs/dbraw/zinc/99/10/37/568991037.db2.gz ZCEGTUVNOFCGKF-IGKIAQTJSA-N 1 0 430.592 5.663 50 0 IKAARO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@H+](C[C@@H](O)CC)CC1CC1 ZINC000036302638 568993533 /nfs/dbraw/zinc/99/35/33/568993533.db2.gz GWGZVHOSJLTFMG-QFIPXVFZSA-N 1 0 449.595 5.219 50 0 IKAARO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC(C)C ZINC000036301733 568994109 /nfs/dbraw/zinc/99/41/09/568994109.db2.gz RGFSPVYDWPWDEH-QFIPXVFZSA-N 1 0 442.003 5.855 50 0 IKAARO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](C[C@H](C)O)CC1CC1 ZINC000036301834 568994145 /nfs/dbraw/zinc/99/41/45/568994145.db2.gz HOYMASIGWFVPRU-KRWDZBQOSA-N 1 0 425.960 5.219 50 0 IKAARO CCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(C)C ZINC000036304440 568994515 /nfs/dbraw/zinc/99/45/15/568994515.db2.gz GUMRCQKYMOIWOK-QFIPXVFZSA-N 1 0 437.584 5.353 50 0 IKAARO CCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(C)C ZINC000036304442 568994530 /nfs/dbraw/zinc/99/45/30/568994530.db2.gz GUMRCQKYMOIWOK-JOCHJYFZSA-N 1 0 437.584 5.353 50 0 IKAARO COc1ccc(Oc2c(C[N@H+](C[C@H](O)C(C)C)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304612 568994615 /nfs/dbraw/zinc/99/46/15/568994615.db2.gz ILQMEEHHFZBJFA-SANMLTNESA-N 1 0 449.595 5.211 50 0 IKAARO C[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305231 568995029 /nfs/dbraw/zinc/99/50/29/568995029.db2.gz YXWFEPOFDRIDNC-KRWDZBQOSA-N 1 0 425.960 5.126 50 0 IKAARO CCC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036305882 568995381 /nfs/dbraw/zinc/99/53/81/568995381.db2.gz PXRMKMGNVAJUJW-NRFANRHFSA-N 1 0 437.584 5.261 50 0 IKAARO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000036313761 568998657 /nfs/dbraw/zinc/99/86/57/568998657.db2.gz YIRIDVQUPQTVFP-VWLOTQADSA-N 1 0 447.623 6.045 50 0 IKAARO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000036313724 568998692 /nfs/dbraw/zinc/99/86/92/568998692.db2.gz HGHSNCLWEMCHAT-HSZRJFAPSA-N 1 0 449.595 5.497 50 0 IKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)CC)CC1CC1 ZINC000036316486 568999828 /nfs/dbraw/zinc/99/98/28/568999828.db2.gz PPWAQGBWRKFYPA-OAQYLSRUSA-N 1 0 437.559 5.349 50 0 IKAARO CCCCCC[C@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCCCCC1)c1ccccc1 ZINC000006811641 569000697 /nfs/dbraw/zinc/00/06/97/569000697.db2.gz CQLDWKCIBVFSBB-WDYNHAJCSA-N 1 0 437.668 6.903 50 0 IKAARO CCCCCC[C@@](O)(c1ccc(OCCC)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006811616 569000726 /nfs/dbraw/zinc/00/07/26/569000726.db2.gz NPGUUMYBJCYQIB-FQLXRVMXSA-N 1 0 437.668 6.903 50 0 IKAARO CCCCCC[C@](O)(c1ccc(OCCC)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006811617 569000740 /nfs/dbraw/zinc/00/07/40/569000740.db2.gz NPGUUMYBJCYQIB-WDYNHAJCSA-N 1 0 437.668 6.903 50 0 IKAARO CCOc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000036344133 569080019 /nfs/dbraw/zinc/08/00/19/569080019.db2.gz HGWCOMGSXAELGF-AREMUKBSSA-N 1 0 433.596 5.112 50 0 IKAARO CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@H+](C)C2CCCCC2)cc1 ZINC000036343978 569080066 /nfs/dbraw/zinc/08/00/66/569080066.db2.gz OMDFQWQMQLRULD-RUZDIDTESA-N 1 0 437.559 5.167 50 0 IKAARO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345876 569080795 /nfs/dbraw/zinc/08/07/95/569080795.db2.gz DHWZOXLYFRLZFF-XMMPIXPASA-N 1 0 433.596 5.797 50 0 IKAARO CCCC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036345903 569080874 /nfs/dbraw/zinc/08/08/74/569080874.db2.gz GBITZRMOUBKLEX-DEOSSOPVSA-N 1 0 435.612 6.045 50 0 IKAARO CCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346291 569081247 /nfs/dbraw/zinc/08/12/47/569081247.db2.gz QRXNRDNESRKLRX-QFIPXVFZSA-N 1 0 425.548 5.484 50 0 IKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)CC)CC1CC1 ZINC000036346538 569081394 /nfs/dbraw/zinc/08/13/94/569081394.db2.gz GCMMMCAJGHFVJT-HSZRJFAPSA-N 1 0 433.596 5.518 50 0 IKAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2nc(-c3oc4ccccc4c3C)no2)o1 ZINC000065009959 569088149 /nfs/dbraw/zinc/08/81/49/569088149.db2.gz JEBZEFNTPUTCRQ-KRWDZBQOSA-N 1 0 448.523 5.079 50 0 IKAARO C[C@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2cn(C)c3ccc(Cl)cc23)CC1 ZINC000065060074 569095736 /nfs/dbraw/zinc/09/57/36/569095736.db2.gz HFECZHNOJRZQKI-LJQANCHMSA-N 1 0 438.015 5.181 50 0 IKAARO C[C@@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2cn(C)c3ccc(Cl)cc23)CC1 ZINC000065060072 569095741 /nfs/dbraw/zinc/09/57/41/569095741.db2.gz HFECZHNOJRZQKI-IBGZPJMESA-N 1 0 438.015 5.181 50 0 IKAARO CSc1ccc(CNC(=O)C2CC[NH+](Cc3cn(C)c4ccc(Cl)cc34)CC2)cc1 ZINC000065060095 569095795 /nfs/dbraw/zinc/09/57/95/569095795.db2.gz RKCZSMOVPZGQQR-UHFFFAOYSA-N 1 0 442.028 5.082 50 0 IKAARO CCn1cc(C[NH+]2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)c2cc(OC)ccc21 ZINC000065060008 569095861 /nfs/dbraw/zinc/09/58/61/569095861.db2.gz UMNIFAFVOMKQIB-NRFANRHFSA-N 1 0 447.623 5.019 50 0 IKAARO Cc1ccc2cc3cc(C(=O)NCC4CC[NH+](Cc5ccc(Cl)cc5)CC4)oc3nc2c1 ZINC000065331026 569137183 /nfs/dbraw/zinc/13/71/83/569137183.db2.gz MVSWDYHSKGDXNG-UHFFFAOYSA-N 1 0 447.966 5.585 50 0 IKAARO CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC([NH+]5CCCC5)=CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253609443 569138309 /nfs/dbraw/zinc/13/83/09/569138309.db2.gz RGRNUVRIJBGXEL-NDZVKTAVSA-N 1 0 439.772 8.697 50 0 IKAARO C[N@H+](Cc1ccccc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)C1CCCCC1 ZINC000037143099 569140411 /nfs/dbraw/zinc/14/04/11/569140411.db2.gz KSLJKZMJRSEJEW-UHFFFAOYSA-N 1 0 426.429 5.328 50 0 IKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(C)cc3)c3ccc(C)cc3)CC2)cc1 ZINC000037280036 569145773 /nfs/dbraw/zinc/14/57/73/569145773.db2.gz QMGMLXZQOIEYQF-UHFFFAOYSA-N 1 0 428.576 5.623 50 0 IKAARO COc1ccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3cccc(OC)c3)CC2)cc1 ZINC000037280010 569145786 /nfs/dbraw/zinc/14/57/86/569145786.db2.gz PAFGWWOIDSIOKK-UHFFFAOYSA-N 1 0 444.575 5.324 50 0 IKAARO COc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000037280004 569145800 /nfs/dbraw/zinc/14/58/00/569145800.db2.gz AJUAHCFOCCJZQF-UHFFFAOYSA-N 1 0 430.548 5.015 50 0 IKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(OC)cc3)CC2)cc1 ZINC000037280000 569145817 /nfs/dbraw/zinc/14/58/17/569145817.db2.gz GXYHQJKQVXAKBF-UHFFFAOYSA-N 1 0 430.548 5.015 50 0 IKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000251180149 569158256 /nfs/dbraw/zinc/15/82/56/569158256.db2.gz RIWWJAOMOXKEGC-LKUPVBHCSA-N 1 0 429.992 5.210 50 0 IKAARO CSc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCC(C)CC2)cc1 ZINC000016993891 569169828 /nfs/dbraw/zinc/16/98/28/569169828.db2.gz BGUXMORKXSNTDX-XMMPIXPASA-N 1 0 438.593 5.047 50 0 IKAARO COc1cc2c(cc1OC)C1(CCOCC1)C[NH2+][C@@H]2CC(c1ccccc1)c1ccccc1 ZINC000002132634 569175129 /nfs/dbraw/zinc/17/51/29/569175129.db2.gz JXPFMEQJNNDXSY-AREMUKBSSA-N 1 0 443.587 5.619 50 0 IKAARO Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCC[NH+]3CCCCCC3)cc12 ZINC000009229123 569176195 /nfs/dbraw/zinc/17/61/95/569176195.db2.gz VVXZWPCPTRSNKH-UHFFFAOYSA-N 1 0 438.015 5.566 50 0 IKAARO O=C(OCc1ccccc1)[C@@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000036094586 569181087 /nfs/dbraw/zinc/18/10/87/569181087.db2.gz XOAGXYJGAZOTAA-GDLZYMKVSA-N 1 0 435.567 6.044 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3)=NN12 ZINC000009232625 569181107 /nfs/dbraw/zinc/18/11/07/569181107.db2.gz DTKZRIKYXAEIIK-OAQYLSRUSA-N 1 0 440.385 5.195 50 0 IKAARO Cc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@H+]5CCCC[C@H]5C)cc4sc3n2)cc1 ZINC000009406356 569182957 /nfs/dbraw/zinc/18/29/57/569182957.db2.gz GEMWCHOJUHMABM-LJQANCHMSA-N 1 0 446.620 5.519 50 0 IKAARO C[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000252486076 569186736 /nfs/dbraw/zinc/18/67/36/569186736.db2.gz DPHYODNXHRBPLX-ZWOKBUDYSA-N 1 0 444.501 5.317 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000015224431 569189018 /nfs/dbraw/zinc/18/90/18/569189018.db2.gz IWBUKYVEGJWBOC-OAQYLSRUSA-N 1 0 440.385 5.195 50 0 IKAARO CC[C@H](C)c1ccc([C@@H]([NH2+]CC(=O)Nc2cc(NC(C)=O)ccc2OC)C(C)C)cc1 ZINC000007719308 569197852 /nfs/dbraw/zinc/19/78/52/569197852.db2.gz UFILVDRYUJMLGM-GKVSMKOHSA-N 1 0 425.573 5.093 50 0 IKAARO COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000037560082 569200915 /nfs/dbraw/zinc/20/09/15/569200915.db2.gz IVIACTCOJNCTGJ-UHFFFAOYSA-N 1 0 448.994 5.968 50 0 IKAARO COc1ccc(C(=O)N(c2ccc(OC)cc2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000037560632 569201056 /nfs/dbraw/zinc/20/10/56/569201056.db2.gz OLDATKNGSWOERW-UHFFFAOYSA-N 1 0 430.548 5.015 50 0 IKAARO COc1ccccc1C[NH+]1CCC(N(C(=O)c2ccccc2OC)c2cccc(C)c2)CC1 ZINC000037560493 569201069 /nfs/dbraw/zinc/20/10/69/569201069.db2.gz WKPHCIZONJDQFP-UHFFFAOYSA-N 1 0 444.575 5.324 50 0 IKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3ccc(C)cc3)c3cccc(C)c3)CC2)c1 ZINC000037560457 569201092 /nfs/dbraw/zinc/20/10/92/569201092.db2.gz AZJPESZXWJTWOA-UHFFFAOYSA-N 1 0 428.576 5.623 50 0 IKAARO Cc1ccc(C[NH+]2CCC(N(c3cccc(C)c3)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000037560521 569201125 /nfs/dbraw/zinc/20/11/25/569201125.db2.gz MDJQIGISWAEFCL-UHFFFAOYSA-N 1 0 434.605 5.163 50 0 IKAARO COc1cccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000037572170 569201188 /nfs/dbraw/zinc/20/11/88/569201188.db2.gz BSZDGKBTZJTDIA-UHFFFAOYSA-N 1 0 432.539 5.454 50 0 IKAARO C[C@@H]1CC[C@@]2(C)[C@@H]3C[C@@H]4[C@@H](CC[C@@H]5[C@@H]4C[N@@H+]4C[C@H](C)CC[C@@H]4[C@]5(C)O)[C@H]3CC(=O)[C@H]2C1 ZINC000252640381 569208697 /nfs/dbraw/zinc/20/86/97/569208697.db2.gz YSOKTNCRCPDOCA-YPRWMXTGSA-N 1 0 427.673 5.162 50 0 IKAARO COc1ccc2cc(C[NH2+]Cc3cccc(C(F)(F)F)c3)c(-c3ccsc3)nc2c1 ZINC000149440168 569258879 /nfs/dbraw/zinc/25/88/79/569258879.db2.gz JNOZSCBMNQFDAF-UHFFFAOYSA-N 1 0 428.479 6.281 50 0 IKAARO C[C@@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H](C)[C@@]1(O)c1ccc(F)cc1 ZINC000239287390 569268796 /nfs/dbraw/zinc/26/87/96/569268796.db2.gz CRQSSISIXUBQTB-FXDCZVHISA-N 1 0 444.377 6.678 50 0 IKAARO Cn1cc(-c2cc(-c3ccccc3)[n+](-c3nccs3)c(-c3ccccc3)c2)c2ccccc21 ZINC000002299644 569269131 /nfs/dbraw/zinc/26/91/31/569269131.db2.gz ICRJWLHPJNXGQY-UHFFFAOYSA-N 1 0 444.583 6.913 50 0 IKAARO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)cc3)[C@@H](C)[C@@](O)(Cc3ccccc3)[C@@H]2C)cc1 ZINC000245294881 569269806 /nfs/dbraw/zinc/26/98/06/569269806.db2.gz BTUTYNXWDXRDAN-FGVFXKJMSA-N 1 0 431.576 5.335 50 0 IKAARO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)cc3)[C@@H](C)[C@@](O)(Cc3ccccc3)[C@H]2C)cc1 ZINC000245294886 569269866 /nfs/dbraw/zinc/26/98/66/569269866.db2.gz BTUTYNXWDXRDAN-VCXGTOSWSA-N 1 0 431.576 5.335 50 0 IKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](Cc3ccco3)C[C@H]2c2ccccc2)cc1 ZINC000248084219 569270349 /nfs/dbraw/zinc/27/03/49/569270349.db2.gz DXMBMFXQBCQOND-VPUSJEBWSA-N 1 0 430.592 5.602 50 0 IKAARO CC1CC[NH+]([C@@H](CNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c2cccs2)CC1 ZINC000027575171 569273937 /nfs/dbraw/zinc/27/39/37/569273937.db2.gz LKUCFZXJJXVBDA-FQEVSTJZSA-N 1 0 441.572 5.064 50 0 IKAARO COc1ccc2cc(C[NH2+]CCc3ccccc3)c(-c3ccc(OC)c(OC)c3)nc2c1 ZINC000299762076 569283546 /nfs/dbraw/zinc/28/35/46/569283546.db2.gz REGBSMLAPQNOQR-UHFFFAOYSA-N 1 0 428.532 5.260 50 0 IKAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[NH2+]Cc2cc(OC)cc(OC)c2)cc1 ZINC000299780554 569283684 /nfs/dbraw/zinc/28/36/84/569283684.db2.gz OBFFVIQOYZJUHN-UHFFFAOYSA-N 1 0 428.532 5.526 50 0 IKAARO COCCn1c2ccc(C)cc2cc(C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)c1=O ZINC000299792916 569283697 /nfs/dbraw/zinc/28/36/97/569283697.db2.gz HJNNHKLMFKJLCI-SANMLTNESA-N 1 0 446.978 5.489 50 0 IKAARO COc1ccc([C@H](CNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)[NH+]2CCCCC2)cc1 ZINC000027667542 569289119 /nfs/dbraw/zinc/28/91/19/569289119.db2.gz TXXMLJZSLPPLCE-DEOSSOPVSA-N 1 0 446.547 5.115 50 0 IKAARO C[N@@H+]1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000008888311 569292105 /nfs/dbraw/zinc/29/21/05/569292105.db2.gz GYOAHBGWMYFOGR-QZTJIDSGSA-N 1 0 434.750 6.435 50 0 IKAARO CSc1nc2c3c4c(c(CC(C)C)nc3sc2c(NCCC[NH+](C)C)n1)CCC4 ZINC000002445472 569304377 /nfs/dbraw/zinc/30/43/77/569304377.db2.gz BZMLYOZJYCXSJW-UHFFFAOYSA-N 1 0 429.659 5.012 50 0 IKAARO CSCC[C@H]([NH2+]Cc1cc(C)n(-c2ccnn2C(C)C)c1C)c1nc2ccccc2[nH]1 ZINC000013109881 569310353 /nfs/dbraw/zinc/31/03/53/569310353.db2.gz MSGBAUHGWGGGKD-QFIPXVFZSA-N 1 0 436.629 5.332 50 0 IKAARO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]([NH2+]CC(C)C)c1ccccc1 ZINC000013121547 569311127 /nfs/dbraw/zinc/31/11/27/569311127.db2.gz RNLSOQASAFAKQL-QFIPXVFZSA-N 1 0 436.577 5.517 50 0 IKAARO C[N@@H+]1C[C@H](C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000013397890 569315441 /nfs/dbraw/zinc/31/54/41/569315441.db2.gz GYOAHBGWMYFOGR-ROUUACIJSA-N 1 0 434.750 6.435 50 0 IKAARO CC(C)C(=O)NC1CC[NH+](Cc2ccc(-c3nc4cccc(Cl)c4s3)cc2)CC1 ZINC000079016420 569322075 /nfs/dbraw/zinc/32/20/75/569322075.db2.gz UPIDANWVBLLIFC-UHFFFAOYSA-N 1 0 428.001 5.353 50 0 IKAARO Cc1[nH]c2ccccc2c1[C@H](c1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019864040 569330732 /nfs/dbraw/zinc/33/07/32/569330732.db2.gz ZQDQTBRVRBLLEB-NDEPHWFRSA-N 1 0 439.559 5.112 50 0 IKAARO CCCCCC[C@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020034604 569332666 /nfs/dbraw/zinc/33/26/66/569332666.db2.gz UXTNEBZBEZFKGG-SXOMAYOGSA-N 1 0 425.613 5.359 50 0 IKAARO CCC1=Nc2cc(C(=O)NCCC[N@H+]3[C@H](C)CCC[C@@H]3C)ccc2Sc2ccc(C)cc21 ZINC000020178959 569354710 /nfs/dbraw/zinc/35/47/10/569354710.db2.gz JESOBZRGCBLALC-BGYRXZFFSA-N 1 0 449.664 6.373 50 0 IKAARO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000020241035 569357905 /nfs/dbraw/zinc/35/79/05/569357905.db2.gz RKGGBSVKGXHFPX-ILBGXUMGSA-N 1 0 443.591 5.364 50 0 IKAARO Cc1cccc(/C=C2/Sc3ccc(C(=O)NCC[N@@H+](C)C4CCCCC4)cc3NC2=O)c1 ZINC000020355297 569361288 /nfs/dbraw/zinc/36/12/88/569361288.db2.gz GZERWNCUUUMUOU-LFVJCYFKSA-N 1 0 449.620 5.075 50 0 IKAARO Clc1ccc(-c2nc3ccccn3c2C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000020366647 569362166 /nfs/dbraw/zinc/36/21/66/569362166.db2.gz XEWLPYLOBZMNEI-UHFFFAOYSA-N 1 0 437.374 5.630 50 0 IKAARO Cc1ccccc1Cn1c2ccccc2c(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C(=O)[O-] ZINC000020379357 569362549 /nfs/dbraw/zinc/36/25/49/569362549.db2.gz LWDUZZAKICUPMH-OYRHEFFESA-N 1 0 447.623 5.154 50 0 IKAARO C[C@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccc(Cl)cc3)oc21)[NH+]1CCCCC1 ZINC000080345958 569362762 /nfs/dbraw/zinc/36/27/62/569362762.db2.gz XKMYZHFQZAFWFR-QGZVFWFLSA-N 1 0 447.970 5.892 50 0 IKAARO Cc1cc(C)c2oc(=O)cc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020412443 569364192 /nfs/dbraw/zinc/36/41/92/569364192.db2.gz PBPDZPPEPUIEHB-UHFFFAOYSA-N 1 0 438.571 5.317 50 0 IKAARO Cc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3)=NC23CC[NH+](C(C)C)CC3)cc1 ZINC000020436099 569365492 /nfs/dbraw/zinc/36/54/92/569365492.db2.gz DNXVRSRDHCTQQJ-UHFFFAOYSA-N 1 0 440.012 5.121 50 0 IKAARO CC(C)CCOc1ccc([C@](O)(C(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020441062 569365759 /nfs/dbraw/zinc/36/57/59/569365759.db2.gz DXIIYKYODSHYAC-RRPNLBNLSA-N 1 0 425.613 5.071 50 0 IKAARO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[NH2+]Cc3cccnc3)cc(=O)oc2c1C ZINC000095473118 569372358 /nfs/dbraw/zinc/37/23/58/569372358.db2.gz XCBQMUWKYGDRGS-UHFFFAOYSA-N 1 0 425.488 5.211 50 0 IKAARO Cc1ncc(C[N@H+](C)Cc2ccccc2)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095473566 569372441 /nfs/dbraw/zinc/37/24/41/569372441.db2.gz LFTWUAZKQACJPJ-UHFFFAOYSA-N 1 0 449.348 5.762 50 0 IKAARO CCCSc1ccccc1N1CC[NH+](CCCCc2ccc(OC)c(OC)c2)CC1 ZINC000096026779 569380803 /nfs/dbraw/zinc/38/08/03/569380803.db2.gz ZMUPMIBMXMFKFM-UHFFFAOYSA-N 1 0 428.642 5.351 50 0 IKAARO Cc1ccccc1COc1cccc2[nH]c(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc21 ZINC000096096688 569381256 /nfs/dbraw/zinc/38/12/56/569381256.db2.gz TWGAYPJZTCXDFN-UHFFFAOYSA-N 1 0 431.580 5.146 50 0 IKAARO Cc1ccc(C)c([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)c1 ZINC000096183793 569386012 /nfs/dbraw/zinc/38/60/12/569386012.db2.gz FLVZVMCAQPODIX-MUUNZHRXSA-N 1 0 442.603 5.638 50 0 IKAARO COc1cc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3cccc(C)c3)CC2)ccc1O ZINC000096281072 569389810 /nfs/dbraw/zinc/38/98/10/569389810.db2.gz OMNCYYFMUDSVFL-UHFFFAOYSA-N 1 0 430.548 5.021 50 0 IKAARO O=C(c1ccco1)N1C[C@@H](c2ccc(F)cc2)[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000096281430 569389914 /nfs/dbraw/zinc/38/99/14/569389914.db2.gz WYTYEZNPNOAXHC-RSXGOPAZSA-N 1 0 446.566 5.229 50 0 IKAARO O=C(c1ccco1)N1C[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2ccc(F)cc2)C1 ZINC000096281429 569389935 /nfs/dbraw/zinc/38/99/35/569389935.db2.gz WYTYEZNPNOAXHC-AZGAKELHSA-N 1 0 446.566 5.229 50 0 IKAARO Cc1ccc(Nc2nc(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)cc3occc32)cc1Cl ZINC000096323721 569395360 /nfs/dbraw/zinc/39/53/60/569395360.db2.gz QSQSWGGVIWCMBP-INIZCTEOSA-N 1 0 440.975 5.385 50 0 IKAARO CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000055366696 569403726 /nfs/dbraw/zinc/40/37/26/569403726.db2.gz BULAUUHBAXIPTO-UHFFFAOYSA-N 1 0 444.362 5.041 50 0 IKAARO O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000225689045 569407132 /nfs/dbraw/zinc/40/71/32/569407132.db2.gz HGKZICXGLZZBNL-UHFFFAOYSA-N 1 0 437.008 5.731 50 0 IKAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCC3([NH+](C)C)CCCCC3)cc12 ZINC000002615978 569410166 /nfs/dbraw/zinc/41/01/66/569410166.db2.gz JCITXGLZKZSJKI-UHFFFAOYSA-N 1 0 431.005 5.043 50 0 IKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000002771803 569420974 /nfs/dbraw/zinc/42/09/74/569420974.db2.gz IVFXWRBLNQJPOG-UHFFFAOYSA-N 1 0 434.967 6.157 50 0 IKAARO O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000057362896 569431956 /nfs/dbraw/zinc/43/19/56/569431956.db2.gz RPPPYCLSHHNDBL-SANMLTNESA-N 1 0 443.591 5.207 50 0 IKAARO Cc1ccccc1CSc1nc2c3ccccc3sc2c(=O)n1CCC[NH+]1CCCC1 ZINC000002961995 569432721 /nfs/dbraw/zinc/43/27/21/569432721.db2.gz UPOPUSCHBXSJSQ-UHFFFAOYSA-N 1 0 449.645 5.698 50 0 IKAARO Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000029880268 569437378 /nfs/dbraw/zinc/43/73/78/569437378.db2.gz PUGQXJKLJNCXKS-UHFFFAOYSA-N 1 0 449.624 5.319 50 0 IKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003064211 569439703 /nfs/dbraw/zinc/43/97/03/569439703.db2.gz NFYSETAMGZWITF-ZALQFNEYSA-N 1 0 449.620 5.156 50 0 IKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003064203 569439706 /nfs/dbraw/zinc/43/97/06/569439706.db2.gz IJLLRJVKRUHMML-QJOMJCCJSA-N 1 0 437.609 5.014 50 0 IKAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000058160833 569449204 /nfs/dbraw/zinc/44/92/04/569449204.db2.gz SKVOWOZHDCFSEZ-JTSKRJEESA-N 1 0 448.588 5.586 50 0 IKAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000058160831 569449240 /nfs/dbraw/zinc/44/92/40/569449240.db2.gz SKVOWOZHDCFSEZ-HTAPYJJXSA-N 1 0 448.588 5.586 50 0 IKAARO S=C(Nc1ccc(Oc2ccccc2)cc1)N(CC[NH+]1CCCCC1)Cc1ccco1 ZINC000003662397 569456011 /nfs/dbraw/zinc/45/60/11/569456011.db2.gz DFQVWZCRGZRJOZ-UHFFFAOYSA-N 1 0 435.593 5.757 50 0 IKAARO COc1cc(Cl)c(C)cc1NC(=S)N(CC[NH+]1CCCCCC1)Cc1ccco1 ZINC000003665680 569456020 /nfs/dbraw/zinc/45/60/20/569456020.db2.gz IZZPQSUMEZHOTB-UHFFFAOYSA-N 1 0 436.021 5.325 50 0 IKAARO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000004082308 569458734 /nfs/dbraw/zinc/45/87/34/569458734.db2.gz ZYGWUUXTYQHKMO-JJAANBCZSA-N 1 0 427.629 5.306 50 0 biogenic IKAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000004085515 569458754 /nfs/dbraw/zinc/45/87/54/569458754.db2.gz FKEAUJZKSIRFAS-HLMLHLEXSA-N 1 0 426.000 5.887 50 0 biogenic IKAARO O=C(Nc1sc2c(c1[C@H](c1ccc(F)cc1)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038545966 569463325 /nfs/dbraw/zinc/46/33/25/569463325.db2.gz YXQKKUUEAADHMA-QHCPKHFHSA-N 1 0 438.568 6.187 50 0 IKAARO COc1ccccc1[C@H](c1c(C)c(C)sc1NC(=O)c1cccs1)[NH+]1CCCCC1 ZINC000038545977 569463329 /nfs/dbraw/zinc/46/33/29/569463329.db2.gz XPWYGSPPBHTHBZ-JOCHJYFZSA-N 1 0 440.634 6.263 50 0 IKAARO COc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1OC ZINC000038545902 569463340 /nfs/dbraw/zinc/46/33/40/569463340.db2.gz MQVSVVZXOBQLIS-QFIPXVFZSA-N 1 0 440.565 5.494 50 0 IKAARO COc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1OC ZINC000038545901 569463372 /nfs/dbraw/zinc/46/33/72/569463372.db2.gz MQVSVVZXOBQLIS-JOCHJYFZSA-N 1 0 440.565 5.494 50 0 IKAARO Cc1cc([C@H](c2ccc(Cl)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546233 569463486 /nfs/dbraw/zinc/46/34/86/569463486.db2.gz CNQLEOBFBDZGOU-NRFANRHFSA-N 1 0 428.985 6.377 50 0 IKAARO Cc1cc([C@H](c2cccc(Cl)c2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546235 569463509 /nfs/dbraw/zinc/46/35/09/569463509.db2.gz KCCCYQGDXLHYEY-NRFANRHFSA-N 1 0 428.985 6.377 50 0 IKAARO CCc1cc([C@@H](c2cccc(F)c2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546539 569463687 /nfs/dbraw/zinc/46/36/87/569463687.db2.gz YGEFDXUKAQPTJM-JOCHJYFZSA-N 1 0 441.572 5.022 50 0 IKAARO CCc1cc([C@@H](c2ccc(C)cc2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546543 569463718 /nfs/dbraw/zinc/46/37/18/569463718.db2.gz FNPZTELYWBEJHU-HSZRJFAPSA-N 1 0 437.609 5.191 50 0 IKAARO CC[NH+]1CCN([C@@H](c2ccsc2)c2c(C)c(C)sc2NC(=O)c2cccs2)CC1 ZINC000038546802 569463731 /nfs/dbraw/zinc/46/37/31/569463731.db2.gz UZBBGMLYRAQXAY-FQEVSTJZSA-N 1 0 445.679 5.467 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1C ZINC000038546863 569463763 /nfs/dbraw/zinc/46/37/63/569463763.db2.gz SUBGCYMPBOKAON-FQEVSTJZSA-N 1 0 431.026 6.517 50 0 IKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([N@@H+](C)C5CCCCC5)C4=O)cc3)sc2c1 ZINC000008414497 569464100 /nfs/dbraw/zinc/46/41/00/569464100.db2.gz VFRYKIBVYZTXSW-OAQYLSRUSA-N 1 0 433.577 5.168 50 0 IKAARO Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717697 569471109 /nfs/dbraw/zinc/47/11/09/569471109.db2.gz QHXLVYPYKRNMER-VWLOTQADSA-N 1 0 427.523 5.362 50 0 IKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccccc3)C[C@@H]21 ZINC000008717740 569471113 /nfs/dbraw/zinc/47/11/13/569471113.db2.gz BCNHOXYWCKGSTG-VWLOTQADSA-N 1 0 439.559 5.231 50 0 IKAARO Cc1ccc(C)c(NC(=O)[C@@H](NCc2ccccc2C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000008749996 569473376 /nfs/dbraw/zinc/47/33/76/569473376.db2.gz PGDZJCISDVQEPM-NDEPHWFRSA-N 1 0 441.619 5.759 50 0 IKAARO O[C@@]1(C(F)(F)F)C=C(c2cccs2)[NH2+]N1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000008752152 569473508 /nfs/dbraw/zinc/47/35/08/569473508.db2.gz QGEUNSLTLVSASJ-MRXNPFEDSA-N 1 0 429.876 5.390 50 0 IKAARO Oc1ccccc1C=CC1=C[C@](O)(C(F)(F)F)N(c2nc(-c3ccc(F)cc3)cs2)[NH2+]1 ZINC000008753998 569473825 /nfs/dbraw/zinc/47/38/25/569473825.db2.gz DFRINZYZGSOSIV-OSICKASQSA-N 1 0 449.429 5.185 50 0 IKAARO CSc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000008763389 569474383 /nfs/dbraw/zinc/47/43/83/569474383.db2.gz OWFUKUGOKNPCTR-QFIPXVFZSA-N 1 0 440.634 6.507 50 0 IKAARO CSc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)[NH+]2CCCC2)cc1 ZINC000008763391 569474418 /nfs/dbraw/zinc/47/44/18/569474418.db2.gz QMAOWZMZBBDZDA-NRFANRHFSA-N 1 0 426.607 6.117 50 0 IKAARO CSc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)[NH+]2CCCC2)cc1 ZINC000008763390 569474443 /nfs/dbraw/zinc/47/44/43/569474443.db2.gz QMAOWZMZBBDZDA-OAQYLSRUSA-N 1 0 426.607 6.117 50 0 IKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc(Sc2ccc(F)cc2)c(NC(C)=O)c1 ZINC000008811358 569476609 /nfs/dbraw/zinc/47/66/09/569476609.db2.gz JUGKEMFMHZASGN-UHFFFAOYSA-N 1 0 445.604 5.177 50 0 IKAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)ncn2C1CCCCC1 ZINC000008812805 569476621 /nfs/dbraw/zinc/47/66/21/569476621.db2.gz YKHQFZABNPYVFR-UHFFFAOYSA-N 1 0 444.623 5.226 50 0 IKAARO CCC1=Nc2cc(C(=O)NCC[N@H+](C)Cc3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000008813162 569476640 /nfs/dbraw/zinc/47/66/40/569476640.db2.gz VTZSRCILPBXDKM-UHFFFAOYSA-N 1 0 443.616 5.852 50 0 IKAARO CCC[NH+](CCC)CCCNC(=O)c1cc(Nc2ccc(OC)cc2)nc2ccccc21 ZINC000008814246 569476675 /nfs/dbraw/zinc/47/66/75/569476675.db2.gz JIQDGGMJYSGNQP-UHFFFAOYSA-N 1 0 434.584 5.229 50 0 IKAARO O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008869223 569480412 /nfs/dbraw/zinc/48/04/12/569480412.db2.gz ZNPIPSPIPBLLRE-UHFFFAOYSA-N 1 0 442.669 5.009 50 0 IKAARO C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000039519589 569481664 /nfs/dbraw/zinc/48/16/64/569481664.db2.gz BUEGFNKQFJKTRH-NYHFZMIOSA-N 1 0 439.581 5.396 50 0 IKAARO C[C@H](c1nc2ccccc2s1)N(C)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000039519590 569481688 /nfs/dbraw/zinc/48/16/88/569481688.db2.gz BUEGFNKQFJKTRH-QRQCRPRQSA-N 1 0 439.581 5.396 50 0 IKAARO C[NH+](C)[C@@H](CNC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1ccsc1 ZINC000040071011 569485694 /nfs/dbraw/zinc/48/56/94/569485694.db2.gz WBWQUMDJBIJFSS-OFVILXPXSA-N 1 0 449.645 5.277 50 0 IKAARO Cc1ccc(-c2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C(C)C)C5)o2)cc1Cl ZINC000008923101 569486987 /nfs/dbraw/zinc/48/69/87/569486987.db2.gz UUGBGXKHRVSZFT-NRFANRHFSA-N 1 0 441.984 6.165 50 0 IKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Cl)c4)o2)N3)C1 ZINC000008922872 569487002 /nfs/dbraw/zinc/48/70/02/569487002.db2.gz QAMZDHJBEHMXMD-FQEVSTJZSA-N 1 0 427.957 5.857 50 0 IKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Cl)c4Cl)o2)N3)C1 ZINC000008928040 569487374 /nfs/dbraw/zinc/48/73/74/569487374.db2.gz FBQHQKQSFUFZQW-LJQANCHMSA-N 1 0 448.375 6.122 50 0 IKAARO Cc1ccccc1C[NH+]1CCC(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000040123095 569489698 /nfs/dbraw/zinc/48/96/98/569489698.db2.gz NCDDYZKIHQHHDL-UHFFFAOYSA-N 1 0 437.971 5.017 50 0 IKAARO Cc1ccc(Cn2cc(CCC(=O)NCCC[N@H+]3[C@H](C)CCC[C@@H]3C)c3ccccc32)cc1 ZINC000009116093 569502845 /nfs/dbraw/zinc/50/28/45/569502845.db2.gz MKYWWTDGLGQDDF-PSWAGMNNSA-N 1 0 445.651 5.700 50 0 IKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000009116078 569502888 /nfs/dbraw/zinc/50/28/88/569502888.db2.gz GRSKPAFUXLHTRQ-AREMUKBSSA-N 1 0 445.651 5.701 50 0 IKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1cn(Cc2ccccc2C)c2ccccc12 ZINC000009116125 569502962 /nfs/dbraw/zinc/50/29/62/569502962.db2.gz RPVSYECQMCROEW-SANMLTNESA-N 1 0 445.651 5.701 50 0 IKAARO CC(C)C(=O)N(C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1c1cccc(F)c1)C(C)C ZINC000245328349 569503922 /nfs/dbraw/zinc/50/39/22/569503922.db2.gz NUMPGQUHOIMTSA-URXFXBBRSA-N 1 0 430.995 5.588 50 0 IKAARO CC(C)N(C[C@H]1C[N@H+](Cc2cccs2)C[C@H]1c1ccccc1)C(=O)c1ccc(F)cc1 ZINC000245329192 569504108 /nfs/dbraw/zinc/50/41/08/569504108.db2.gz RJNAEEVBEKVLCJ-RDGATRHJSA-N 1 0 436.596 5.654 50 0 IKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000009151112 569507356 /nfs/dbraw/zinc/50/73/56/569507356.db2.gz TWYCIQXKJMFEFL-UHFFFAOYSA-N 1 0 432.952 5.031 50 0 IKAARO CCOc1ccc([C@@](O)(c2ccccc2OC)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000009194864 569510924 /nfs/dbraw/zinc/51/09/24/569510924.db2.gz OUHVRNJOMYNWKA-XRKRLSELSA-N 1 0 445.603 5.600 50 0 IKAARO COc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)[NH+]2CCCC2)cc1 ZINC000009204252 569511265 /nfs/dbraw/zinc/51/12/65/569511265.db2.gz ISVUCMPASVYGFN-OAQYLSRUSA-N 1 0 426.944 5.279 50 0 IKAARO CC[NH+](CC)CCCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000009210567 569511647 /nfs/dbraw/zinc/51/16/47/569511647.db2.gz LKTWJRFYNICJFP-UHFFFAOYSA-N 1 0 441.645 5.358 50 0 IKAARO Cc1c(Cl)cccc1NC(=O)c1cnn(-c2ccc(C(C)C)cc2)c1C1CC[NH2+]CC1 ZINC000009227451 569513419 /nfs/dbraw/zinc/51/34/19/569513419.db2.gz SZOQNQMUGVQMQM-UHFFFAOYSA-N 1 0 436.987 5.677 50 0 IKAARO O=C(Nc1ccc(F)cc1Cl)c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1 ZINC000009227268 569513421 /nfs/dbraw/zinc/51/34/21/569513421.db2.gz YXIZDAFEBBECAF-UHFFFAOYSA-N 1 0 433.314 5.038 50 0 IKAARO Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCCC[NH+]3CCCCC3)cc12 ZINC000009229118 569513730 /nfs/dbraw/zinc/51/37/30/569513730.db2.gz ZQSBDCWTUZQUDY-UHFFFAOYSA-N 1 0 438.015 5.566 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009235364 569514080 /nfs/dbraw/zinc/51/40/80/569514080.db2.gz YCFOZWJRLJJBSK-QFIPXVFZSA-N 1 0 444.406 6.047 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009235368 569514111 /nfs/dbraw/zinc/51/41/11/569514111.db2.gz YCFOZWJRLJJBSK-JOCHJYFZSA-N 1 0 444.406 6.047 50 0 IKAARO CC[N@H+](CCCNC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1)Cc1ccccc1 ZINC000009251901 569515997 /nfs/dbraw/zinc/51/59/97/569515997.db2.gz KVEKMMBIYXLJGU-UHFFFAOYSA-N 1 0 446.620 5.346 50 0 IKAARO Brc1ccc(-c2cn3c4ccccc4nc3n2CCC[NH+]2CCCCC2)cc1 ZINC000009270356 569517618 /nfs/dbraw/zinc/51/76/18/569517618.db2.gz CLGVXKWKXLRDNB-UHFFFAOYSA-N 1 0 437.385 5.595 50 0 IKAARO Cc1ccc2c(c1)[C@@H]1CC(c3ccc(F)cc3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000009308418 569521552 /nfs/dbraw/zinc/52/15/52/569521552.db2.gz FTQXVYXQLLKKEA-SANMLTNESA-N 1 0 441.550 5.670 50 0 IKAARO CC[NH+](CC)CCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 ZINC000009310934 569521800 /nfs/dbraw/zinc/52/18/00/569521800.db2.gz MZLWFAOGSKCVTM-UHFFFAOYSA-N 1 0 441.645 5.043 50 0 IKAARO CC[NH+](CC)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000009353184 569524912 /nfs/dbraw/zinc/52/49/12/569524912.db2.gz ZSYCLXPUODMGFI-UHFFFAOYSA-N 1 0 431.609 5.539 50 0 IKAARO c1ccc(COc2ccc(CNc3nc4ccccc4n3CC[NH+]3CCCCC3)cc2)cc1 ZINC000009356291 569525411 /nfs/dbraw/zinc/52/54/11/569525411.db2.gz IWEPOJPZAPUASS-UHFFFAOYSA-N 1 0 440.591 5.713 50 0 IKAARO Cc1ccc(C)c(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)c1 ZINC000009379800 569527812 /nfs/dbraw/zinc/52/78/12/569527812.db2.gz KDUQOUQTGSJVOE-HHHXNRCGSA-N 1 0 437.587 5.839 50 0 IKAARO CCCOc1ccc([C@@](O)(Cc2ccccc2)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000009408686 569530664 /nfs/dbraw/zinc/53/06/64/569530664.db2.gz OQEZKQAKWQIXTK-IHLOFXLRSA-N 1 0 443.631 6.175 50 0 IKAARO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[N@H+]3CCCC[C@@H]3C)cc21 ZINC000009409345 569531015 /nfs/dbraw/zinc/53/10/15/569531015.db2.gz IKXAZHVMIKPYHS-CVDCTZTESA-N 1 0 434.580 5.064 50 0 IKAARO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[N@H+]3CCCC[C@@H]3C)cc21 ZINC000009409344 569531025 /nfs/dbraw/zinc/53/10/25/569531025.db2.gz IKXAZHVMIKPYHS-WMZHIEFXSA-N 1 0 434.580 5.064 50 0 IKAARO Brc1c(OCCC[N@@H+]2CCCC[C@@H]2c2cccnc2)ccc2ccccc21 ZINC000009410982 569531478 /nfs/dbraw/zinc/53/14/78/569531478.db2.gz DZPPULQLLRCPBO-OAQYLSRUSA-N 1 0 425.370 5.993 50 0 IKAARO Cc1ccc(CN(C(=O)Nc2cccc(Cl)c2)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000009429700 569533744 /nfs/dbraw/zinc/53/37/44/569533744.db2.gz WVIPLGCZNDUHMU-UHFFFAOYSA-N 1 0 437.971 5.940 50 0 IKAARO COc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)cc1 ZINC000009464969 569537805 /nfs/dbraw/zinc/53/78/05/569537805.db2.gz ZUBNXYQNHYIIDE-DEOSSOPVSA-N 1 0 444.531 5.056 50 0 IKAARO CN(C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)C1CC[NH+](C)CC1 ZINC000009510655 569542821 /nfs/dbraw/zinc/54/28/21/569542821.db2.gz LSWWCKPXWTZFMV-UHFFFAOYSA-N 1 0 436.559 5.130 50 0 IKAARO Cc1ccc(C)c(NC(=O)[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc2)c1 ZINC000009516710 569543468 /nfs/dbraw/zinc/54/34/68/569543468.db2.gz OYAVSBZRBKQKCH-MHZLTWQESA-N 1 0 427.592 5.369 50 0 IKAARO Cc1ccc2nc3sc(C(=O)NCC4CC[NH+](Cc5ccc(F)cc5)CC4)cc3cc2c1 ZINC000009528744 569544724 /nfs/dbraw/zinc/54/47/24/569544724.db2.gz ZTLGGRCBAHGILB-UHFFFAOYSA-N 1 0 447.579 5.539 50 0 IKAARO CCC1=Nc2cc(C(=O)NCCC[N@H+]3CCCC[C@@H]3CC)ccc2Sc2ccccc21 ZINC000009607870 569552022 /nfs/dbraw/zinc/55/20/22/569552022.db2.gz DWXVQJOTRKYNAZ-FQEVSTJZSA-N 1 0 435.637 6.066 50 0 IKAARO CCC1=Nc2cc(C(=O)NCCC[N@H+](C)C3CCCCC3)ccc2Sc2ccccc21 ZINC000009607897 569552028 /nfs/dbraw/zinc/55/20/28/569552028.db2.gz WREYSXFCFNMCSM-UHFFFAOYSA-N 1 0 435.637 6.066 50 0 IKAARO CCCC1=Nc2cc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)ccc2Sc2ccccc21 ZINC000009607982 569552071 /nfs/dbraw/zinc/55/20/71/569552071.db2.gz JOLZMWATANAICC-WOJBJXKFSA-N 1 0 449.664 6.170 50 0 IKAARO CCCC1=Nc2cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)ccc2Sc2ccc(C)cc21 ZINC000009608132 569552088 /nfs/dbraw/zinc/55/20/88/569552088.db2.gz KZSDSGQTWWXCQV-HXUWFJFHSA-N 1 0 449.664 6.375 50 0 IKAARO CCCC1=Nc2cc(C(=O)NCC[NH+]3CCCCCC3)ccc2Sc2ccc(C)cc21 ZINC000009608136 569552112 /nfs/dbraw/zinc/55/21/12/569552112.db2.gz RDMCCHZRZCUFEK-UHFFFAOYSA-N 1 0 435.637 5.986 50 0 IKAARO Cc1ccc(NC(=O)[C@H](NCc2ccccc2C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000009637679 569554841 /nfs/dbraw/zinc/55/48/41/569554841.db2.gz YHFIDZIELWXWTP-HHHXNRCGSA-N 1 0 427.592 5.451 50 0 IKAARO Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CC[NH2+]CC2)cc1Cl ZINC000009639650 569555219 /nfs/dbraw/zinc/55/52/19/569555219.db2.gz IQHKYEOKAKHYCR-UHFFFAOYSA-N 1 0 429.351 5.207 50 0 IKAARO COC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000009639766 569555294 /nfs/dbraw/zinc/55/52/94/569555294.db2.gz YDQGACJNTHDQIN-UHFFFAOYSA-N 1 0 441.380 5.253 50 0 IKAARO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000009671606 569558640 /nfs/dbraw/zinc/55/86/40/569558640.db2.gz KFSOASQLXNYPHA-XMMPIXPASA-N 1 0 428.532 5.437 50 0 IKAARO COc1ccccc1Nc1cc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc2n1 ZINC000009680919 569560167 /nfs/dbraw/zinc/56/01/67/569560167.db2.gz ZPMZNLDPMGLKBM-BGYRXZFFSA-N 1 0 446.595 5.085 50 0 IKAARO Cc1ccc(Nc2cc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3n2)c(C)c1 ZINC000009680788 569560204 /nfs/dbraw/zinc/56/02/04/569560204.db2.gz CNKVMDGZMFLUOQ-OYRHEFFESA-N 1 0 444.623 5.693 50 0 IKAARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1cccc(OCc2ccccc2)c1 ZINC000009720790 569563337 /nfs/dbraw/zinc/56/33/37/569563337.db2.gz ZXVAZVILQOWDSX-UHFFFAOYSA-N 1 0 431.511 5.527 50 0 IKAARO COc1ccc(CNc2[nH+]cc(-c3cccc(Cl)c3)n2C)cc1OCc1ccccc1 ZINC000009763712 569566626 /nfs/dbraw/zinc/56/66/26/569566626.db2.gz PQFRZWBZQSGVHU-UHFFFAOYSA-N 1 0 433.939 5.940 50 0 IKAARO O=C(COc1ccccc1-c1ccccc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009792908 569568313 /nfs/dbraw/zinc/56/83/13/569568313.db2.gz IYZJJNBCOVXDQY-UHFFFAOYSA-N 1 0 434.967 5.167 50 0 IKAARO Cn1c(-c2ccc(-c3ccccc3)cc2)c[nH+]c1NCc1cccc(Oc2ccccc2)c1 ZINC000009805658 569568782 /nfs/dbraw/zinc/56/87/82/569568782.db2.gz PZEBOEWWWGPUQG-UHFFFAOYSA-N 1 0 431.539 7.159 50 0 IKAARO COc1cc(CNc2[nH+]cc(-c3ccc(-c4ccccc4)cc3)n2C)cc(OC)c1OC ZINC000009805715 569568791 /nfs/dbraw/zinc/56/87/91/569568791.db2.gz JDZJAXUVISEERY-UHFFFAOYSA-N 1 0 429.520 5.392 50 0 IKAARO Cn1c(-c2ccc(-c3ccccc3)cc2)c[nH+]c1NCc1cccc(OCc2ccccc2)c1 ZINC000009805828 569568838 /nfs/dbraw/zinc/56/88/38/569568838.db2.gz RYWBPKDCELKXEH-UHFFFAOYSA-N 1 0 445.566 6.945 50 0 IKAARO COc1cc(CNc2[nH+]cc(-c3ccc4c(c3)OCO4)n2C)ccc1OCc1ccccc1 ZINC000009805803 569568844 /nfs/dbraw/zinc/56/88/44/569568844.db2.gz BACQWYJLQUJVEX-UHFFFAOYSA-N 1 0 443.503 5.016 50 0 IKAARO COCCn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1c(F)cccc1Br ZINC000009850017 569571371 /nfs/dbraw/zinc/57/13/71/569571371.db2.gz SDTDFZUXCYAHAF-UHFFFAOYSA-N 1 0 438.728 5.364 50 0 IKAARO CCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000009942131 569574042 /nfs/dbraw/zinc/57/40/42/569574042.db2.gz MCGRWMSFCKXOKL-UHFFFAOYSA-N 1 0 440.975 5.103 50 0 IKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)c1cc2sccc2n1Cc1ccc(Cl)cc1 ZINC000009969785 569576070 /nfs/dbraw/zinc/57/60/70/569576070.db2.gz ARRIRVXIFDBEEB-QZTJIDSGSA-N 1 0 444.044 5.787 50 0 IKAARO CCN1c2ccccc2S/C1=C\C=C1/C=C(/C=C\c2sc3ccccc3[n+]2CC)CC1 ZINC000199161961 569588177 /nfs/dbraw/zinc/58/81/77/569588177.db2.gz ZKAUNZRVAPPNIK-UHFFFAOYSA-N 1 0 443.661 7.342 50 0 IKAARO CC(C)[C@H]1C[C@](CC[NH+]2CCN(c3ccccc3)CC2)(Cc2ccccc2Cl)CCO1 ZINC000009420533 132234348 /nfs/dbraw/zinc/23/43/48/132234348.db2.gz VFJFJHQLZRMSMM-SXOMAYOGSA-N 1 0 441.059 5.916 50 0 IKAARO CC1CC[NH+](CC(=O)N2c3ccccc3[C@@](C)(c3ccc(Cl)cc3)CC2(C)C)CC1 ZINC000001823453 132247245 /nfs/dbraw/zinc/24/72/45/132247245.db2.gz QJCBKKSUBKMWOV-AREMUKBSSA-N 1 0 425.016 5.893 50 0 IKAARO C[C@@H](C(=O)N1c2ccccc2[C@@](C)(c2ccc(Cl)cc2)CC1(C)C)[NH+]1CCC(C)CC1 ZINC000002292550 132251464 /nfs/dbraw/zinc/25/14/64/132251464.db2.gz KHAKSADXWAYEPL-CCLHPLFOSA-N 1 0 439.043 6.282 50 0 IKAARO CSc1ccc2c(c1)N(C(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1)c1ccccc1S2 ZINC000013040193 132343273 /nfs/dbraw/zinc/34/32/73/132343273.db2.gz UBSPXZWNXREMMC-OAHLLOKOSA-N 1 0 441.021 6.542 50 0 IKAARO CC[NH+]1CCN(c2nc(CSc3ccc(Cl)cc3)nc3sc(C)c(C)c32)CC1 ZINC000013062753 132343838 /nfs/dbraw/zinc/34/38/38/132343838.db2.gz CMYYUHWLGFKMAA-UHFFFAOYSA-N 1 0 433.046 5.396 50 0 IKAARO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+]C[C@H](c2cccs2)c2c[nH]c3ccccc32)c1C ZINC000013128416 518232662 /nfs/dbraw/zinc/23/26/62/518232662.db2.gz KFLIWZASLSTNTD-JXFKEZNVSA-N 1 0 433.577 5.370 50 0 IKAARO CC(C)(C)n1c[n+](-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1 ZINC000012551155 518988829 /nfs/dbraw/zinc/98/88/29/518988829.db2.gz LCHJEAGCECWERM-UHFFFAOYSA-N 1 0 436.171 5.107 50 0 IKAARO CC(C)CC[N@@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000035840695 519652210 /nfs/dbraw/zinc/65/22/10/519652210.db2.gz DSSFUSXNNQFGNJ-LJAQVGFWSA-N 1 0 446.679 6.286 50 0 IKAARO CC(C)CC[N@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccccc1F ZINC000035841257 519652750 /nfs/dbraw/zinc/65/27/50/519652750.db2.gz DJVWJUIAEONSGE-UHFFFAOYSA-N 1 0 432.505 6.743 50 0 IKAARO CC(C)C[N@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1cccc(Cl)c1 ZINC000035843631 519709722 /nfs/dbraw/zinc/70/97/22/519709722.db2.gz WSNJYSVQGKNNAY-JOCHJYFZSA-N 1 0 437.436 5.726 50 0 IKAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[n+]1c2ccccc2n(C)c1COc1ccccc1 ZINC000012385079 519825626 /nfs/dbraw/zinc/82/56/26/519825626.db2.gz HACNGQQLOZYIEB-LFAGZIFBSA-N 1 0 435.588 5.049 50 0 biogenic IKAARO CC(C)c1ccc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccccc3)CC2)cc1 ZINC000034682464 519835827 /nfs/dbraw/zinc/83/58/27/519835827.db2.gz MVRWPCJPNSTYJL-UHFFFAOYSA-N 1 0 430.567 6.261 50 0 IKAARO CC(C)c1ccc(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000023095793 519836967 /nfs/dbraw/zinc/83/69/67/519836967.db2.gz MNXLLPDUPBJQHZ-UHFFFAOYSA-N 1 0 427.592 5.156 50 0 IKAARO CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(C)cc1)C[N@@H+](CC)CC3 ZINC000035427404 519884121 /nfs/dbraw/zinc/88/41/21/519884121.db2.gz XPHSERKTOOPQGK-DEOSSOPVSA-N 1 0 448.636 5.250 50 0 IKAARO CCOCCC[NH2+]C1CCN(c2ccc(NC(=O)CCCCc3ccccc3)cc2)CC1 ZINC000014882872 519895827 /nfs/dbraw/zinc/89/58/27/519895827.db2.gz PTWBQRQEYULXDA-UHFFFAOYSA-N 1 0 437.628 5.023 50 0 IKAARO CCCCCC[C@@]1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000245310380 520125110 /nfs/dbraw/zinc/12/51/10/520125110.db2.gz IOJSASXMHFMQDT-MRMVSFONSA-N 1 0 434.451 7.353 50 0 IKAARO CCCCCOc1ccc([C@@](O)(CCC)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020756634 520257894 /nfs/dbraw/zinc/25/78/94/520257894.db2.gz ROOBRHVMCARMNN-SVBPBHIXSA-N 1 0 425.613 5.359 50 0 IKAARO CCCCCc1ccc(C(=O)Nc2ccc3[nH]cc(CC[N@H+](CCC)CC4CC4)c3c2)cc1 ZINC000023317233 520323858 /nfs/dbraw/zinc/32/38/58/520323858.db2.gz RXHUFMFIPDFAEK-UHFFFAOYSA-N 1 0 445.651 6.817 50 0 IKAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+]([C@@H](C)Cc2ccc(C)cn2)CC1 ZINC000012308604 520464435 /nfs/dbraw/zinc/46/44/35/520464435.db2.gz ROBSAKDCDWWCDU-IBGZPJMESA-N 1 0 448.529 5.228 50 0 IKAARO CCCC[NH+](CCCC)CCCNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2 ZINC000020385177 520494739 /nfs/dbraw/zinc/49/47/39/520494739.db2.gz UXAFJLVUKBXSIV-UHFFFAOYSA-N 1 0 439.625 5.426 50 0 IKAARO CC1(C)C[C@@H](C[NH+]2CCC(CCC(=O)NCc3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000012710701 520514900 /nfs/dbraw/zinc/51/49/00/520514900.db2.gz NASAWUMMMVCXLI-FQEVSTJZSA-N 1 0 440.550 5.019 50 0 IKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023326761 520629166 /nfs/dbraw/zinc/62/91/66/520629166.db2.gz VUQDAFPKBLTZGE-HXUWFJFHSA-N 1 0 436.621 6.448 50 0 IKAARO CC[NH+](CC)CCNc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn21 ZINC000021790443 520689008 /nfs/dbraw/zinc/68/90/08/520689008.db2.gz XHSMINBAHQNPMR-UHFFFAOYSA-N 1 0 425.886 5.131 50 0 IKAARO CCOc1cc(C[N@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C2CC2)ccc1OC(F)F ZINC000021585107 520695742 /nfs/dbraw/zinc/69/57/42/520695742.db2.gz LOAQFHVGINBGSR-UHFFFAOYSA-N 1 0 443.490 5.575 50 0 IKAARO CCOc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000022784129 520730183 /nfs/dbraw/zinc/73/01/83/520730183.db2.gz WTLTXOALKRTCNW-GOSISDBHSA-N 1 0 438.955 5.607 50 0 IKAARO CCOc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2)cc(Br)c1OC ZINC000022783618 520730299 /nfs/dbraw/zinc/73/02/99/520730299.db2.gz KVANQRXQWWZWBU-GFCCVEGCSA-N 1 0 443.179 5.470 50 0 IKAARO CC1CC[NH+](Cc2ccc(NC(=O)c3nn(C)c4c3CSc3ccccc3-4)cc2)CC1 ZINC000020485274 521024883 /nfs/dbraw/zinc/02/48/83/521024883.db2.gz OUZWEVRJNYFBTM-UHFFFAOYSA-N 1 0 432.593 5.177 50 0 IKAARO CCOc1ccc(NC(=S)N(CCC[NH+](CC)CC)Cc2c[nH]c3ccccc23)cc1 ZINC000020676596 521123334 /nfs/dbraw/zinc/12/33/34/521123334.db2.gz FANWZOBGVARXGP-UHFFFAOYSA-N 1 0 438.641 5.498 50 0 IKAARO CCC[C@H](NC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)c1ccccc1 ZINC000012449328 521143200 /nfs/dbraw/zinc/14/32/00/521143200.db2.gz HFOWIUSLNQGQQU-MHZLTWQESA-N 1 0 443.591 5.396 50 0 IKAARO CCOc1ccc([C@@](O)(CCc2ccccc2)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020444452 521250644 /nfs/dbraw/zinc/25/06/44/521250644.db2.gz AOLCPUKPAQWQSK-WDYNHAJCSA-N 1 0 445.603 5.022 50 0 IKAARO CCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(Cl)c1 ZINC000035844809 521533551 /nfs/dbraw/zinc/53/35/51/521533551.db2.gz WSBKSJQAIOXNQR-UHFFFAOYSA-N 1 0 438.999 5.725 50 0 IKAARO CCCn1ncc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1C ZINC000012708214 521672130 /nfs/dbraw/zinc/67/21/30/521672130.db2.gz IZBOKJBNUSMJDY-GOSISDBHSA-N 1 0 436.522 5.251 50 0 IKAARO CCCn1ncc(C[NH+]2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)c1C ZINC000012456734 521672368 /nfs/dbraw/zinc/67/23/68/521672368.db2.gz HCJXCEIZJLXRCL-UHFFFAOYSA-N 1 0 430.596 5.428 50 0 IKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2cccc3c2CCCC3)C1 ZINC000020532244 521724559 /nfs/dbraw/zinc/72/45/59/521724559.db2.gz SLJAUZLFBJXQKQ-SFHVURJKSA-N 1 0 448.636 5.678 50 0 IKAARO COC(=O)c1ccccc1C[N@H+](Cc1cccn1Cc1ccc(F)cc1)C1CCCCC1 ZINC000035840998 522261420 /nfs/dbraw/zinc/26/14/20/522261420.db2.gz MLNNQJBQRWUVRZ-UHFFFAOYSA-N 1 0 434.555 5.797 50 0 IKAARO COc1cc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)ccc1OCc1ccccc1 ZINC000012318432 522490613 /nfs/dbraw/zinc/49/06/13/522490613.db2.gz PLYBJLAOAKEIIZ-QHCPKHFHSA-N 1 0 440.547 5.022 50 0 IKAARO CCc1ncc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)cn1 ZINC000012709431 522550455 /nfs/dbraw/zinc/55/04/55/522550455.db2.gz HSYTXSBMDKEKET-UHFFFAOYSA-N 1 0 434.971 5.210 50 0 IKAARO C[N@H+](CCCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1)C1CCCCC1 ZINC000035560174 522769360 /nfs/dbraw/zinc/76/93/60/522769360.db2.gz ATOCGWRLNCYMJL-UHFFFAOYSA-N 1 0 439.003 5.122 50 0 IKAARO CN(C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccc(F)cc1F ZINC000012431333 523045638 /nfs/dbraw/zinc/04/56/38/523045638.db2.gz QSEVFXAUNZZTSA-KRWDZBQOSA-N 1 0 440.456 5.010 50 0 IKAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3OC)C2)cc1 ZINC000012229182 523140453 /nfs/dbraw/zinc/14/04/53/523140453.db2.gz LBCCVJZUKKLESZ-QFIPXVFZSA-N 1 0 430.548 5.222 50 0 IKAARO C[N@H+](Cc1c(C(=O)N2CCCCCCC2)nc2sccn12)[C@@H]1CCCc2ccccc21 ZINC000012299753 523150341 /nfs/dbraw/zinc/15/03/41/523150341.db2.gz GVPUCQPFZRVBOM-OAQYLSRUSA-N 1 0 436.625 5.312 50 0 IKAARO C[N@H+](Cc1c(C(=O)N2CCCCCCC2)nc2sccn12)[C@H]1CCCc2ccccc21 ZINC000012299754 523151144 /nfs/dbraw/zinc/15/11/44/523151144.db2.gz GVPUCQPFZRVBOM-NRFANRHFSA-N 1 0 436.625 5.312 50 0 IKAARO COc1ccc(-c2csc3ncnc(NCCC[N@@H+]4CCc5ccccc5C4)c23)cc1 ZINC000021643178 523172750 /nfs/dbraw/zinc/17/27/50/523172750.db2.gz ZLVGSGSMHPKPNU-UHFFFAOYSA-N 1 0 430.577 5.227 50 0 IKAARO COc1ccc(-n2cc(C[NH2+][C@H](C)c3cn(C)nc3C)c(-c3ccccc3Cl)n2)cc1 ZINC000012590788 523331962 /nfs/dbraw/zinc/33/19/62/523331962.db2.gz OPLJMCGEHMFVFO-MRXNPFEDSA-N 1 0 435.959 5.094 50 0 IKAARO CCn1cc(C[NH+]2CCC(C(=O)Nc3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)c(C)n1 ZINC000012469051 523368588 /nfs/dbraw/zinc/36/85/88/523368588.db2.gz VKTFKMGVNVNUGY-UHFFFAOYSA-N 1 0 441.579 5.210 50 0 IKAARO C[N@H+](Cc1ccsc1)Cc1cccc(OC2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000012099800 523485060 /nfs/dbraw/zinc/48/50/60/523485060.db2.gz XDQGSDFLDUCYBJ-UHFFFAOYSA-N 1 0 426.626 5.330 50 0 IKAARO COc1ccc(C(=O)N(C)CC2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000012439664 523599703 /nfs/dbraw/zinc/59/97/03/523599703.db2.gz HGORDSCFLCBZAH-UHFFFAOYSA-N 1 0 448.529 5.049 50 0 IKAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3ccc4ccccc4c3)CC2)c1 ZINC000012707243 523629188 /nfs/dbraw/zinc/62/91/88/523629188.db2.gz JAHBEMKZSOANEC-UHFFFAOYSA-N 1 0 444.575 5.128 50 0 IKAARO COc1ccc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000034697980 523670620 /nfs/dbraw/zinc/67/06/20/523670620.db2.gz GWKRUOHLIJGFKC-OFNKIYASSA-N 1 0 446.513 5.056 50 0 IKAARO C[N@H+]1C(c2ccccc2)=C2C(=C(c3ccccc3)S[C@@H]2c2ccccc2)[C@@H]1c1ccccc1 ZINC000035317316 523738966 /nfs/dbraw/zinc/73/89/66/523738966.db2.gz AGWKWLAMWBICBO-QCENPCRXSA-N 1 0 443.615 7.984 50 0 IKAARO C[N@H+]1C(c2ccccc2)=C2C(=C(c3ccccc3)S[C@@H]2c2ccccc2)[C@H]1c1ccccc1 ZINC000035317313 523739191 /nfs/dbraw/zinc/73/91/91/523739191.db2.gz AGWKWLAMWBICBO-GRKNLSHJSA-N 1 0 443.615 7.984 50 0 IKAARO C[N@@H+]1CCCN(Cn2nc(-c3ccc(C(C)(C)C)cc3)n(C3CCCC3)c2=S)CC1 ZINC000022038944 523809082 /nfs/dbraw/zinc/80/90/82/523809082.db2.gz WZXUMOOOZFAVTE-UHFFFAOYSA-N 1 0 427.662 5.089 50 0 IKAARO C[NH+]1CCN([C@@H](c2ccc(Cl)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000021486910 523917908 /nfs/dbraw/zinc/91/79/08/523917908.db2.gz WOKKXZWWFPXJLW-QHCPKHFHSA-N 1 0 429.048 5.977 50 0 IKAARO CCc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)o1 ZINC000020452181 523926094 /nfs/dbraw/zinc/92/60/94/523926094.db2.gz RGONRIVQJILZRH-QFIPXVFZSA-N 1 0 438.575 6.049 50 0 IKAARO C[NH+](C)CCN(C(=O)c1cc(Cl)sc1Cl)c1nc2c(cc(F)cc2F)s1 ZINC000012140836 524059347 /nfs/dbraw/zinc/05/93/47/524059347.db2.gz JPZBDIBDROAGEH-UHFFFAOYSA-N 1 0 436.336 5.151 50 0 IKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000021527956 524099656 /nfs/dbraw/zinc/09/96/56/524099656.db2.gz CJALUMQFKCWFJQ-OAQYLSRUSA-N 1 0 435.587 5.142 50 0 IKAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)Nc3ccccc3Br)CC2)c1 ZINC000021174985 524101809 /nfs/dbraw/zinc/10/18/09/524101809.db2.gz PDUFIJMVJIESRO-UHFFFAOYSA-N 1 0 430.390 5.100 50 0 IKAARO Cc1cccc(-n2ccnc2CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012301474 524145086 /nfs/dbraw/zinc/14/50/86/524145086.db2.gz VCZVZPXKFIELPE-UHFFFAOYSA-N 1 0 443.639 5.233 50 0 IKAARO Cc1cccc(C(=O)N(Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000012307793 524167379 /nfs/dbraw/zinc/16/73/79/524167379.db2.gz VUJNMCWFMKHBSJ-UHFFFAOYSA-N 1 0 427.592 5.253 50 0 IKAARO C[C@H](CC[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1)c1ccccc1 ZINC000011947407 524175768 /nfs/dbraw/zinc/17/57/68/524175768.db2.gz TXFJKTZILYPGMY-LJQANCHMSA-N 1 0 436.987 5.620 50 0 IKAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000020737377 524189372 /nfs/dbraw/zinc/18/93/72/524189372.db2.gz YRTYIEAXPZOWKH-QKYNOIMASA-N 1 0 449.620 5.155 50 0 IKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000012884539 524227790 /nfs/dbraw/zinc/22/77/90/524227790.db2.gz BJCHICZXAWGDFL-CREZILFCSA-N 1 0 426.000 5.743 50 0 biogenic IKAARO Cc1ccc(C2=NC3(CC[NH+](C)CC3)N=C2SCC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000035372664 524231483 /nfs/dbraw/zinc/23/14/83/524231483.db2.gz QYZWLRDDPJPGRG-UHFFFAOYSA-N 1 0 448.636 5.113 50 0 IKAARO Cc1cc(C)c(C[NH+]2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cc1C ZINC000012590715 524260042 /nfs/dbraw/zinc/26/00/42/524260042.db2.gz RMMVPSVYWIFOTB-UHFFFAOYSA-N 1 0 446.595 5.053 50 0 IKAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000020535367 524361306 /nfs/dbraw/zinc/36/13/06/524361306.db2.gz QXSRBWHEBCBVIR-UHFFFAOYSA-N 1 0 432.568 5.105 50 0 IKAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2ccc(Cl)s2)CC1 ZINC000012385539 524446832 /nfs/dbraw/zinc/44/68/32/524446832.db2.gz DIFCONNLDQIZFG-UHFFFAOYSA-N 1 0 435.033 5.421 50 0 IKAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000012759823 524447234 /nfs/dbraw/zinc/44/72/34/524447234.db2.gz ROADVUIWQGKEFX-UHFFFAOYSA-N 1 0 433.596 5.187 50 0 IKAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc4cc5cc(C)ccc5nc4s3)C2)cc1 ZINC000021087484 524467753 /nfs/dbraw/zinc/46/77/53/524467753.db2.gz RTZOFWDMIIJJHO-FQEVSTJZSA-N 1 0 429.589 5.318 50 0 IKAARO Cc1ccc(C[NH2+]Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 ZINC000020876537 524584005 /nfs/dbraw/zinc/58/40/05/524584005.db2.gz AOYAZTAJZFONSO-UHFFFAOYSA-N 1 0 430.773 6.280 50 0 IKAARO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000012430545 524616830 /nfs/dbraw/zinc/61/68/30/524616830.db2.gz SKVFEBFELOZPBG-SNAWJCMRSA-N 1 0 449.530 5.025 50 0 IKAARO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](C[C@@H](C)CCC=C(C)C)CC1 ZINC000012575837 524617452 /nfs/dbraw/zinc/61/74/52/524617452.db2.gz CVNPSRVTZLFGPL-FQEVSTJZSA-N 1 0 439.604 5.555 50 0 IKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NC4CCCCC4)CC3)cc3ccccc32)cc1 ZINC000021116297 524766526 /nfs/dbraw/zinc/76/65/26/524766526.db2.gz GNZPFTXAUPDMGU-UHFFFAOYSA-N 1 0 443.635 5.659 50 0 IKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCCCC4)CC3)cc3ccccc32)cc1 ZINC000021116172 524767770 /nfs/dbraw/zinc/76/77/70/524767770.db2.gz JWUWUMRYLVJRGC-UHFFFAOYSA-N 1 0 429.608 5.223 50 0 IKAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)C1 ZINC000020239180 524883981 /nfs/dbraw/zinc/88/39/81/524883981.db2.gz WKSYPXGXVNLNKM-HOTGVXAUSA-N 1 0 445.032 5.053 50 0 IKAARO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2cccn2-c2nccs2)C1 ZINC000012204998 524986164 /nfs/dbraw/zinc/98/61/64/524986164.db2.gz BFGMYOYQYDELPR-SFHVURJKSA-N 1 0 426.561 5.012 50 0 IKAARO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@H+](Cc2cccn2-c2nccs2)C1 ZINC000012205008 524987426 /nfs/dbraw/zinc/98/74/26/524987426.db2.gz BFGMYOYQYDELPR-GOSISDBHSA-N 1 0 426.561 5.012 50 0 IKAARO Cc1ccccc1-c1ccc(C[N@@H+]2CCOc3ccc([C@H](O)c4cccnc4)cc3C2)cc1 ZINC000012152216 525004335 /nfs/dbraw/zinc/00/43/35/525004335.db2.gz OJAQRYUDRSIYCQ-LJAQVGFWSA-N 1 0 436.555 5.533 50 0 IKAARO Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000012680879 525013482 /nfs/dbraw/zinc/01/34/82/525013482.db2.gz XGGCOULABNRYHS-XMMPIXPASA-N 1 0 440.547 5.008 50 0 IKAARO Cc1ccccc1-c1ncc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)cn1 ZINC000012706140 525013983 /nfs/dbraw/zinc/01/39/83/525013983.db2.gz DXZFRGGMOHZZNN-DEOSSOPVSA-N 1 0 441.554 5.580 50 0 IKAARO Cc1cc(N2CC[NH+](Cc3c(C)ccc4ccccc43)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000020502164 525080290 /nfs/dbraw/zinc/08/02/90/525080290.db2.gz SCIGXRHREHUOQA-UHFFFAOYSA-N 1 0 447.586 5.489 50 0 IKAARO C[C@@H](NC(=O)COc1ccc(-c2ccccc2)cc1C[NH+](C)C)c1cccc2ccccc21 ZINC000014972995 525117077 /nfs/dbraw/zinc/11/70/77/525117077.db2.gz DOMBTVMHHMFAFL-OAQYLSRUSA-N 1 0 438.571 5.825 50 0 IKAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000012199160 525134235 /nfs/dbraw/zinc/13/42/35/525134235.db2.gz JRQUBWVLSBVCQV-SANMLTNESA-N 1 0 445.607 5.010 50 0 IKAARO Cc1ccccc1Cn1cc(CCC(=O)NCCC[NH+]2[C@@H](C)CCC[C@@H]2C)c2ccccc21 ZINC000015678428 525211594 /nfs/dbraw/zinc/21/15/94/525211594.db2.gz FXJSUQSZYLNGIQ-ZEQRLZLVSA-N 1 0 445.651 5.700 50 0 IKAARO Cc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(OC(C)C)cc2)CC1 ZINC000012713700 525255984 /nfs/dbraw/zinc/25/59/84/525255984.db2.gz YTLRIRXJZIYWJZ-UHFFFAOYSA-N 1 0 447.583 5.460 50 0 IKAARO Cc1ccc(Nc2nc(NCCC[N@H+](Cc3ccccc3)C(C)C)nc3c2cnn3C)cc1 ZINC000021928923 525327984 /nfs/dbraw/zinc/32/79/84/525327984.db2.gz YGTRNOCFBVTULT-UHFFFAOYSA-N 1 0 443.599 5.128 50 0 IKAARO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000012529252 525405030 /nfs/dbraw/zinc/40/50/30/525405030.db2.gz DRLQYRAHNGPDIT-CCLHPLFOSA-N 1 0 441.575 5.401 50 0 IKAARO Cc1[nH]c2ccc(NC(=O)c3cccc(F)c3)cc2c1[C@@H](c1ccccn1)[NH+]1CCCCC1 ZINC000021805726 525430687 /nfs/dbraw/zinc/43/06/87/525430687.db2.gz JDJBYQVLPIPGER-AREMUKBSSA-N 1 0 442.538 5.838 50 0 IKAARO C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Br)cc1 ZINC000017315058 525547458 /nfs/dbraw/zinc/54/74/58/525547458.db2.gz NAZIUVMMNIGKJD-GOSISDBHSA-N 1 0 447.380 5.607 50 0 IKAARO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(-n2ccnc2)cc1 ZINC000012648105 525548281 /nfs/dbraw/zinc/54/82/81/525548281.db2.gz BRVSVTFBRMTSJV-LJQANCHMSA-N 1 0 425.561 5.637 50 0 IKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[NH+]1CCCC1)c2Sc1ccc(Cl)cc1 ZINC000020466837 525598259 /nfs/dbraw/zinc/59/82/59/525598259.db2.gz MAWNLPIVTNBHEE-UHFFFAOYSA-N 1 0 444.000 5.197 50 0 IKAARO Cc1ccc([C@@H](C)CC[NH+]2CCC(n3nccc3NC(=O)Nc3ccccc3C)CC2)o1 ZINC000012090066 525679734 /nfs/dbraw/zinc/67/97/34/525679734.db2.gz LOJDACMOBMVNLG-IBGZPJMESA-N 1 0 435.572 5.568 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](C[C@H](C)c3ccccc3)CC2)c1 ZINC000012111907 525714895 /nfs/dbraw/zinc/71/48/95/525714895.db2.gz MDZNALBNZBIYQL-NRFANRHFSA-N 1 0 428.576 5.816 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3cc(C)c(O)c(C)c3)CC2)c1 ZINC000012469626 525715314 /nfs/dbraw/zinc/71/53/14/525715314.db2.gz NXAOJUNBYQDJNS-UHFFFAOYSA-N 1 0 444.575 5.535 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](CC[C@@H](C)c3ccc(C)o3)CC2)c1 ZINC000012597498 525716482 /nfs/dbraw/zinc/71/64/82/525716482.db2.gz FKRCMNYKEYAIOJ-HXUWFJFHSA-N 1 0 446.591 6.108 50 0 IKAARO Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2ccc(F)cc2Cl)c1C1CC[NH2+]CC1 ZINC000020941338 525750333 /nfs/dbraw/zinc/75/03/33/525750333.db2.gz JOHUKCNPNIARRV-UHFFFAOYSA-N 1 0 447.341 5.346 50 0 IKAARO Cc1ccc(-c2nc(NC(=O)Cc3ccc(Br)cc3)sc2C[NH+](C)C)cc1 ZINC000012593071 525818741 /nfs/dbraw/zinc/81/87/41/525818741.db2.gz QSULCJCBAHTPCZ-UHFFFAOYSA-N 1 0 444.398 5.124 50 0 IKAARO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[NH2+]Cc2cnn(Cc3ccccc3)c2)o1 ZINC000012716974 525838615 /nfs/dbraw/zinc/83/86/15/525838615.db2.gz JWMYDYWSFAKUJR-UHFFFAOYSA-N 1 0 441.510 5.114 50 0 IKAARO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[NH+]2CCC(OCc3ccccn3)CC2)o1 ZINC000012308603 525839306 /nfs/dbraw/zinc/83/93/06/525839306.db2.gz USGIOTPROWJINU-UHFFFAOYSA-N 1 0 446.526 5.156 50 0 IKAARO COc1cccc(C[N@H+](Cc2cccn2Cc2cccc(C(F)(F)F)c2)[C@@H](C)C(C)C)c1 ZINC000035841210 525923229 /nfs/dbraw/zinc/92/32/29/525923229.db2.gz MXHQNWXDWUEBBQ-FQEVSTJZSA-N 1 0 444.541 6.611 50 0 IKAARO COc1cccc(Cn2cccc2C[N@@H+](Cc2cccc(OC)c2)CC2CCCCC2)c1 ZINC000035841147 525924659 /nfs/dbraw/zinc/92/46/59/525924659.db2.gz SNLOUIJQXCXQLR-UHFFFAOYSA-N 1 0 432.608 6.136 50 0 IKAARO CSc1ccc(CC(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)cc1 ZINC000012299565 525981964 /nfs/dbraw/zinc/98/19/64/525981964.db2.gz KZEMFQNQRSORCF-UHFFFAOYSA-N 1 0 431.045 5.018 50 0 IKAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@H]12 ZINC000012864267 526108799 /nfs/dbraw/zinc/10/87/99/526108799.db2.gz MMPRIJBNPCMKRF-RUHCJFLHSA-N 1 0 432.608 5.902 50 0 biogenic IKAARO O[C@H](COCc1ccccc1)C[N@H+](Cc1cccn1Cc1ccccc1)C1CCCCC1 ZINC000035840434 526285514 /nfs/dbraw/zinc/28/55/14/526285514.db2.gz QMANSBFNPVSWMB-NDEPHWFRSA-N 1 0 432.608 5.249 50 0 IKAARO Fc1ccc(Cn2cccc2C[N@H+](Cc2cccc(C(F)(F)F)c2)C2CCCCC2)cc1 ZINC000035843736 526347477 /nfs/dbraw/zinc/34/74/77/526347477.db2.gz LHRVYIPWLLZBAL-UHFFFAOYSA-N 1 0 444.516 7.029 50 0 IKAARO Fc1ccc([C@@H](c2ccccc2)N2CC[NH+](CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022035656 526362459 /nfs/dbraw/zinc/36/24/59/526362459.db2.gz PTXQKQPOIKEGBV-MUUNZHRXSA-N 1 0 427.567 5.647 50 0 biogenic IKAARO Oc1ccccc1C1=NC2(CC[NH+](Cc3ccccc3)CC2)N[C@@H](c2ccccc2F)C1 ZINC000015830566 526370564 /nfs/dbraw/zinc/37/05/64/526370564.db2.gz LQDWAUZCWBQYCN-XMMPIXPASA-N 1 0 429.539 5.047 50 0 IKAARO c1c(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(-c2ccc3c(c2)OCO3)nn1Cc1ccccc1 ZINC000012308687 526397210 /nfs/dbraw/zinc/39/72/10/526397210.db2.gz LPOVPYCGQIMYBS-XMMPIXPASA-N 1 0 438.531 5.059 50 0 IKAARO Cc1csc([C@@H](C)N(C)C(=O)c2cccc(OC3CC[NH+](C4CCCC4)CC3)c2)n1 ZINC000023159450 526406749 /nfs/dbraw/zinc/40/67/49/526406749.db2.gz MPYQIXSFAVZLDX-GOSISDBHSA-N 1 0 427.614 5.071 50 0 IKAARO c1cc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)n(-c2ccccn2)c1 ZINC000012308842 526422480 /nfs/dbraw/zinc/42/24/80/526422480.db2.gz PIUWYLSUBZHTIW-VWLOTQADSA-N 1 0 443.639 5.314 50 0 IKAARO c1ccc(C(c2ccccc2)N2CC3(C2)C[NH+](C(c2ccccc2)c2ccccc2)C3)cc1 ZINC000035061630 526460722 /nfs/dbraw/zinc/46/07/22/526460722.db2.gz UPVDPYLKLAKPQM-UHFFFAOYSA-N 1 0 430.595 6.183 50 0 IKAARO Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C ZINC000020780228 526493299 /nfs/dbraw/zinc/49/32/99/526493299.db2.gz NVULBQUATBINSR-UHFFFAOYSA-N 1 0 435.522 5.140 50 0 IKAARO Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000016694811 526519972 /nfs/dbraw/zinc/51/99/72/526519972.db2.gz HLIOEXXOBYCWTP-UHFFFAOYSA-N 1 0 435.568 5.018 50 0 IKAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1cc(-c2ccc3c(c2)CCCC3)on1 ZINC000021805303 526582614 /nfs/dbraw/zinc/58/26/14/526582614.db2.gz VBBYAWBVVXSQEZ-JOCHJYFZSA-N 1 0 435.593 5.239 50 0 IKAARO O=C(c1cc2c(s1)-c1ccc(Cl)cc1SC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000021167022 526633194 /nfs/dbraw/zinc/63/31/94/526633194.db2.gz VAANXSYDTSBTDZ-UHFFFAOYSA-N 1 0 433.042 5.765 50 0 IKAARO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC([C@@H](C)[NH+]2CCOCC2)CC1 ZINC000012478985 526728095 /nfs/dbraw/zinc/72/80/95/526728095.db2.gz CXMSCLBRCASJEM-OAQYLSRUSA-N 1 0 445.607 5.250 50 0 IKAARO Cc1oc(-c2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)nc1CSc1ccc(C)cc1 ZINC000021781523 526728193 /nfs/dbraw/zinc/72/81/93/526728193.db2.gz BRMJSFKJTINTAC-UHFFFAOYSA-N 1 0 449.620 5.466 50 0 IKAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+]1CCCC[C@H]1CCN1CCCC1=O ZINC000012454763 526729980 /nfs/dbraw/zinc/72/99/80/526729980.db2.gz LPHUPCZQCFWKLK-IBGZPJMESA-N 1 0 435.490 5.036 50 0 IKAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000020994733 526732528 /nfs/dbraw/zinc/73/25/28/526732528.db2.gz CHOCYMZHFYUCBO-KRWDZBQOSA-N 1 0 441.453 6.190 50 0 IKAARO O=C(c1ccccn1)N([C@H](Cc1ccccc1)C1CC[NH+](C[C@@H]2CC=CCC2)CC1)C1CC1 ZINC000012281347 526813356 /nfs/dbraw/zinc/81/33/56/526813356.db2.gz YKEKAGAVKIKMBH-UFHPHHKVSA-N 1 0 443.635 5.366 50 0 IKAARO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012748951 526888233 /nfs/dbraw/zinc/88/82/33/526888233.db2.gz ZKPFDGFTSOIWBF-NTKDMRAZSA-N 1 0 447.629 5.443 50 0 IKAARO Clc1ccc(-c2nnc([C@H](c3ccccc3)N3CC[NH+](C4CCCCC4)CC3)o2)cc1 ZINC000021538426 526935714 /nfs/dbraw/zinc/93/57/14/526935714.db2.gz XZNIKDSLBZZBCX-QHCPKHFHSA-N 1 0 436.987 5.430 50 0 IKAARO Clc1ccccc1-c1nnc([C@@H](c2ccccc2)N2CC[NH+](C3CCCCC3)CC2)o1 ZINC000020509640 526985108 /nfs/dbraw/zinc/98/51/08/526985108.db2.gz JGGSAHQQBXHQDS-HSZRJFAPSA-N 1 0 436.987 5.430 50 0 IKAARO Clc1ccccc1-c1nnc([C@H](c2ccccc2)N2CC[NH+](C3CCCCC3)CC2)o1 ZINC000020509637 526986159 /nfs/dbraw/zinc/98/61/59/526986159.db2.gz JGGSAHQQBXHQDS-QHCPKHFHSA-N 1 0 436.987 5.430 50 0 IKAARO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000020536951 527087322 /nfs/dbraw/zinc/08/73/22/527087322.db2.gz MORLFUIGVHAFLJ-QFIPXVFZSA-N 1 0 429.593 5.035 50 0 IKAARO Cc1nc2cc(C(=O)N(Cc3cccnc3)CC3CC[NH+](C4CCCC4)CC3)ccc2s1 ZINC000012439202 527115989 /nfs/dbraw/zinc/11/59/89/527115989.db2.gz APEHIIWXKHNIJV-UHFFFAOYSA-N 1 0 448.636 5.297 50 0 IKAARO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000012453992 527141740 /nfs/dbraw/zinc/14/17/40/527141740.db2.gz BPIIYZAAQIKUKM-UHFFFAOYSA-N 1 0 429.495 5.485 50 0 IKAARO O=C(C[C@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1)NCC[NH+]1CCCCC1 ZINC000035888563 527150180 /nfs/dbraw/zinc/15/01/80/527150180.db2.gz FIMGDYRTNWCLBP-NRFANRHFSA-N 1 0 443.513 5.311 50 0 IKAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000012194439 527252805 /nfs/dbraw/zinc/25/28/05/527252805.db2.gz WHUIEVCFABNJSV-UHFFFAOYSA-N 1 0 448.494 5.197 50 0 IKAARO O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000012593113 527283189 /nfs/dbraw/zinc/28/31/89/527283189.db2.gz KXMXGJVRLQECMO-UHFFFAOYSA-N 1 0 430.577 5.116 50 0 IKAARO O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000012300991 527309316 /nfs/dbraw/zinc/30/93/16/527309316.db2.gz YJMQYDUEDQCIFY-UHFFFAOYSA-N 1 0 439.534 5.892 50 0 IKAARO O=C(Nc1cccc(C(F)(F)F)c1)c1cnn(-c2ccccc2Cl)c1C1CC[NH2+]CC1 ZINC000020941227 527333290 /nfs/dbraw/zinc/33/32/90/527333290.db2.gz PVBCPRVKRJKLAC-UHFFFAOYSA-N 1 0 448.876 5.264 50 0 IKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)nc1c(c2Cl)CCCC1 ZINC000009636616 527531272 /nfs/dbraw/zinc/53/12/72/527531272.db2.gz AQVXERYWGNISDG-UHFFFAOYSA-N 1 0 433.983 5.161 50 0 IKAARO Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC1 ZINC000012711637 527590572 /nfs/dbraw/zinc/59/05/72/527590572.db2.gz WJVVWTZEFVJZHL-UHFFFAOYSA-N 1 0 444.623 5.907 50 0 IKAARO O[C@@H](C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1 ZINC000020876507 527653502 /nfs/dbraw/zinc/65/35/02/527653502.db2.gz UTCIBSBILDZYNI-NRFANRHFSA-N 1 0 446.772 5.505 50 0 IKAARO FC(F)(F)c1cc(Cl)cnc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020443474 527680435 /nfs/dbraw/zinc/68/04/35/527680435.db2.gz FYGJOVCXMHLNQW-UHFFFAOYSA-N 1 0 431.889 5.665 50 0 IKAARO CC[NH+]1CCN(c2ccc(Nc3nc4ccc(Cl)cc4c(-c4ccccc4)n3)cc2)CC1 ZINC000009086451 535748379 /nfs/dbraw/zinc/74/83/79/535748379.db2.gz RVDIICAZLDXDAR-UHFFFAOYSA-N 1 0 443.982 5.836 50 0 IKAARO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000002884961 536424876 /nfs/dbraw/zinc/42/48/76/536424876.db2.gz CBTFYKNSNWKBRO-UHFFFAOYSA-N 1 0 430.335 5.258 50 0 IKAARO COc1ccc(-c2csc(N3CCN(c4cc(C)[nH+]c5ccccc54)CC3)n2)cc1OC ZINC000008892185 536498629 /nfs/dbraw/zinc/49/86/29/536498629.db2.gz ZXKOMYIPTDBCFK-UHFFFAOYSA-N 1 0 446.576 5.011 50 0 IKAARO CC[NH+](CC)C[C@H](O)Cn1c2c(cc(C)cc2C)c(-c2ccccc2)c1-c1ccccc1 ZINC000001894937 555722943 /nfs/dbraw/zinc/72/29/43/555722943.db2.gz DTIOIWHFHYKANC-VWLOTQADSA-N 1 0 426.604 6.295 50 0 IKAARO Cc1ccc(C[N@@H+](CCC(C)C)Cc2ccc(C(=O)NCc3cccc(F)c3)cc2)s1 ZINC000034670168 555792782 /nfs/dbraw/zinc/79/27/82/555792782.db2.gz FAUCTXMAPQGZMA-UHFFFAOYSA-N 1 0 438.612 6.174 50 0 IKAARO CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000034671680 555793055 /nfs/dbraw/zinc/79/30/55/555793055.db2.gz HMYDGHQJZPGQCZ-NSOVKSMOSA-N 1 0 442.603 5.436 50 0 IKAARO CCN(C)C(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2 ZINC000034671564 555793156 /nfs/dbraw/zinc/79/31/56/555793156.db2.gz ROOMXRGYCUNMFW-ZBLYBZFDSA-N 1 0 428.576 5.080 50 0 IKAARO Cc1cccc(C[N@H+]2CCc3ccc(OCC(=O)NC(C)C)cc3[C@@H]2c2ccccc2)c1 ZINC000034671862 555793443 /nfs/dbraw/zinc/79/34/43/555793443.db2.gz JLKVSOOTEBSARA-NDEPHWFRSA-N 1 0 428.576 5.046 50 0 IKAARO Cc1ccc(C(=O)N2CCc3ccccc3C2)c(C2CC[NH+](Cc3cccs3)CC2)n1 ZINC000034675593 555794160 /nfs/dbraw/zinc/79/41/60/555794160.db2.gz PLEADNZMLIIDGH-UHFFFAOYSA-N 1 0 431.605 5.030 50 0 IKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2ccc(OC)cc2OC)cc1 ZINC000002752870 555810683 /nfs/dbraw/zinc/81/06/83/555810683.db2.gz HCAYRYMSLOJJLD-UHFFFAOYSA-N 1 0 449.547 5.076 50 0 IKAARO O=C(c1cccc(F)c1)N1C[C@H](C[NH+]2CCCCC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034697999 555811778 /nfs/dbraw/zinc/81/17/78/555811778.db2.gz LFGAMHITTZXTMW-UGKGYDQZSA-N 1 0 434.477 5.186 50 0 IKAARO Cc1cccc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000034698024 555812065 /nfs/dbraw/zinc/81/20/65/555812065.db2.gz IPQYCIMNLFBKQG-GGAORHGYSA-N 1 0 430.514 5.356 50 0 IKAARO Cc1cc(C[N@H+]2C[C@H](CN(C(=O)c3ccccc3)C(C)C)[C@@H](c3ccccc3C)C2)oc1C ZINC000034698809 555812354 /nfs/dbraw/zinc/81/23/54/555812354.db2.gz TXZOYSCXCOPWJM-NAKRPHOHSA-N 1 0 444.619 5.971 50 0 IKAARO Cc1ccsc1C[N@H+]1C[C@H](CN(C(=O)c2ccccc2)C(C)C)[C@@H](c2ccccc2C)C1 ZINC000034698791 555812393 /nfs/dbraw/zinc/81/23/93/555812393.db2.gz FGWTXUFTMJQVOO-RSXGOPAZSA-N 1 0 446.660 6.131 50 0 IKAARO Cc1ccc(C[N@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C2)o1 ZINC000034698955 555812402 /nfs/dbraw/zinc/81/24/02/555812402.db2.gz LAYZZVWVEAYMPA-IXCJQBJRSA-N 1 0 444.619 5.910 50 0 IKAARO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698799 555812414 /nfs/dbraw/zinc/81/24/14/555812414.db2.gz IDYBSXZMTOQFNX-NAKRPHOHSA-N 1 0 444.594 5.901 50 0 IKAARO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698785 555812564 /nfs/dbraw/zinc/81/25/64/555812564.db2.gz ZWCOCJLHTMXBGQ-VPUSJEBWSA-N 1 0 444.594 5.901 50 0 IKAARO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698797 555812586 /nfs/dbraw/zinc/81/25/86/555812586.db2.gz JTQNFLGWCQNANH-RSXGOPAZSA-N 1 0 432.633 5.823 50 0 IKAARO CC(C)N(C[C@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1ccccc1)C(=O)c1ccc(F)cc1 ZINC000034699007 555812691 /nfs/dbraw/zinc/81/26/91/555812691.db2.gz RJNAEEVBEKVLCJ-RCZVLFRGSA-N 1 0 436.596 5.654 50 0 IKAARO Cc1ccc([C@H]2C[N@@H+](Cc3cccs3)C[C@@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000034699089 555812708 /nfs/dbraw/zinc/81/27/08/555812708.db2.gz DONBNZOENJWJPE-AOYPEHQESA-N 1 0 432.633 5.823 50 0 IKAARO Cc1ccsc1C[N@H+]1C[C@H](CN(C(=O)c2ccccc2)C(C)C)[C@@H](c2ccc(C)cc2)C1 ZINC000034699091 555813441 /nfs/dbraw/zinc/81/34/41/555813441.db2.gz BWNFSHOBSPVFIE-CLJLJLNGSA-N 1 0 446.660 6.131 50 0 IKAARO CC(C)c1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)c4ccccc4F)cn3)CC2)cc1 ZINC000034681726 555815356 /nfs/dbraw/zinc/81/53/56/555815356.db2.gz GMJXBBIILJGXRC-UHFFFAOYSA-N 1 0 446.570 5.309 50 0 IKAARO CC(C)c1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000034682635 555816764 /nfs/dbraw/zinc/81/67/64/555816764.db2.gz ZSDRYIQPIKCAMX-UHFFFAOYSA-N 1 0 430.567 6.261 50 0 IKAARO COc1ccc(N(C(=O)CC(C)C)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000034682782 555817134 /nfs/dbraw/zinc/81/71/34/555817134.db2.gz NLSAUOJYDPCFFX-UHFFFAOYSA-N 1 0 448.529 5.758 50 0 IKAARO COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000034682705 555817171 /nfs/dbraw/zinc/81/71/71/555817171.db2.gz DKYLMTQKQOOBMP-UHFFFAOYSA-N 1 0 440.996 5.722 50 0 IKAARO COc1ccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000034682821 555817540 /nfs/dbraw/zinc/81/75/40/555817540.db2.gz CTTUWMTZQAPRBI-UHFFFAOYSA-N 1 0 448.994 5.968 50 0 IKAARO Cc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000034683030 555818099 /nfs/dbraw/zinc/81/80/99/555818099.db2.gz KVZUCUAJPTYXFN-UHFFFAOYSA-N 1 0 426.604 6.430 50 0 IKAARO COc1ccc(C(=O)N(c2cccc(OC)c2)C2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000034683176 555818512 /nfs/dbraw/zinc/81/85/12/555818512.db2.gz IRFNFNJOCKWIBX-UHFFFAOYSA-N 1 0 436.577 5.077 50 0 IKAARO COc1cccc(N(C(=O)C(C)C)C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000034683432 555818730 /nfs/dbraw/zinc/81/87/30/555818730.db2.gz JJVBYIUGSBFDBP-UHFFFAOYSA-N 1 0 434.502 5.368 50 0 IKAARO Cc1ccc(N(C(=O)c2ccco2)C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000034683278 555818785 /nfs/dbraw/zinc/81/87/85/555818785.db2.gz UTXQHZJNBZMPCN-UHFFFAOYSA-N 1 0 442.481 5.918 50 0 IKAARO COc1cccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3ccc(C)c(C)c3)CC2)c1 ZINC000034683613 555819146 /nfs/dbraw/zinc/81/91/46/555819146.db2.gz CMJPEHBBICHYJI-UHFFFAOYSA-N 1 0 442.603 5.932 50 0 IKAARO Cc1cccc([C@H]2C[C@H](C(=O)NCc3cccc(F)c3)C[N@H+](Cc3ccccc3F)C2)c1 ZINC000034711419 555824411 /nfs/dbraw/zinc/82/44/11/555824411.db2.gz YBHSIBMBIOMRIC-ZEQRLZLVSA-N 1 0 434.530 5.195 50 0 IKAARO Cc1cccc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)C[N@H+](Cc3ccc(F)c(F)c3)C2)c1 ZINC000034711393 555824473 /nfs/dbraw/zinc/82/44/73/555824473.db2.gz PBRQTRFVQCMQAC-RPWUZVMVSA-N 1 0 434.530 5.195 50 0 IKAARO Cc1cccc(CNC(=O)[C@H]2C[C@H](c3ccccc3)C[N@H+](Cc3ccc(F)c(F)c3)C2)c1 ZINC000034711391 555824548 /nfs/dbraw/zinc/82/45/48/555824548.db2.gz PBRQTRFVQCMQAC-ZEQRLZLVSA-N 1 0 434.530 5.195 50 0 IKAARO Cc1cccc(C(=O)N(C[C@H]2C[N@H+](Cc3ccco3)C[C@@H]2c2ccc(F)cc2)C2CC2)c1 ZINC000034699193 555830956 /nfs/dbraw/zinc/83/09/56/555830956.db2.gz PVTGCPAMFRJUOW-ATIYNZHBSA-N 1 0 432.539 5.248 50 0 IKAARO CCCCOc1c(I)cc(C[NH2+]Cc2ccccc2)cc1OCC ZINC000002863709 555846444 /nfs/dbraw/zinc/84/64/44/555846444.db2.gz NLIDTFDKMZUKCO-UHFFFAOYSA-N 1 0 439.337 5.159 50 0 IKAARO Cc1ccc(C(=O)N2CCc3ccccc3C2)c(C2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000034730185 555869749 /nfs/dbraw/zinc/86/97/49/555869749.db2.gz CLUQLUZWLCPBHW-UHFFFAOYSA-N 1 0 443.566 5.107 50 0 IKAARO Cc1ccc(F)c(O[C@H](CC[NH+]2CCN(c3ccccc3C)CC2)c2ccc(F)cc2)c1 ZINC000034726649 555882046 /nfs/dbraw/zinc/88/20/46/555882046.db2.gz QLSASISXOLSEGW-AREMUKBSSA-N 1 0 436.546 5.914 50 0 IKAARO Fc1ccc(N2CC[NH+](CC[C@@H](Oc3ccc(F)c(Cl)c3)c3cccs3)CC2)cc1 ZINC000034726901 555882371 /nfs/dbraw/zinc/88/23/71/555882371.db2.gz ZLBNPTUXTLTIJZ-JOCHJYFZSA-N 1 0 448.966 6.012 50 0 IKAARO Cc1ccc(Cl)c(O[C@@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)c2cccs2)c1 ZINC000034726936 555882403 /nfs/dbraw/zinc/88/24/03/555882403.db2.gz WSLWCUREHFNVPW-QFIPXVFZSA-N 1 0 445.003 6.181 50 0 IKAARO COc1ccc([C@H](CC[NH+]2CCN(c3ccc(C)c(C)c3)CC2)Oc2ccc(F)cc2)cc1 ZINC000034727509 555882656 /nfs/dbraw/zinc/88/26/56/555882656.db2.gz YHKZPWBWECFHOV-NDEPHWFRSA-N 1 0 448.582 5.784 50 0 IKAARO O=C(NCc1ccccc1F)[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739929 555882921 /nfs/dbraw/zinc/88/29/21/555882921.db2.gz JLVMWHNVEXFVBI-RCZVLFRGSA-N 1 0 436.958 5.749 50 0 IKAARO C[N@H+]1C(c2ccccc2)=C2C(=C(c3ccccc3)S[C@H]2c2ccccc2)[C@@H]1c1ccccc1 ZINC000003107093 555887987 /nfs/dbraw/zinc/88/79/87/555887987.db2.gz AGWKWLAMWBICBO-IZEXYCQBSA-N 1 0 443.615 7.984 50 0 IKAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[n+]1c2ccccc2n(C)c1COc1ccccc1 ZINC000003878731 555950559 /nfs/dbraw/zinc/95/05/59/555950559.db2.gz HACNGQQLOZYIEB-QFZWGZQFSA-N 1 0 435.588 5.049 50 0 biogenic IKAARO Fc1ccc2[nH]cc(CCC[NH+]3CCN(c4nc5cc(Cl)ccc5s4)CC3)c2c1 ZINC000004481187 555996989 /nfs/dbraw/zinc/99/69/89/555996989.db2.gz DACUYKOISPDSHY-UHFFFAOYSA-N 1 0 428.964 5.325 50 0 IKAARO CCCCCOc1ccccc1NC(=O)O[C@@H]1[C@@H](C[NH+](CC)CC)[C@@H]2CC[C@H]1CC2(C)C ZINC000004578002 556002628 /nfs/dbraw/zinc/00/26/28/556002628.db2.gz FFYFIZPYPAOCAI-UEOMBKFZSA-N 1 0 444.660 6.587 50 0 IKAARO CCCCCCOc1cccc(NC(=O)OC(CN2CCCCC2)C[NH+]2CCCCC2)c1 ZINC000004577995 556002644 /nfs/dbraw/zinc/00/26/44/556002644.db2.gz BEKLEORFGKMQCI-UHFFFAOYSA-N 1 0 445.648 5.535 50 0 IKAARO CCCCOc1cccc(-c2cc(C(=O)NCCC[NH+](CC)CC)c3ccccc3n2)c1 ZINC000004651128 556005312 /nfs/dbraw/zinc/00/53/12/556005312.db2.gz RYQHYWJJGGRNJA-UHFFFAOYSA-N 1 0 433.596 5.542 50 0 IKAARO O=C([C@@H]1CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1)N1CCc2ccccc2C1 ZINC000005650094 556061736 /nfs/dbraw/zinc/06/17/36/556061736.db2.gz BFSXUYWOVSCLNN-RUZDIDTESA-N 1 0 426.560 5.276 50 0 IKAARO COc1ccc(NC(=O)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1OC1CCCC1 ZINC000006566056 556094988 /nfs/dbraw/zinc/09/49/88/556094988.db2.gz PALBNMBVMCQMAC-QFIPXVFZSA-N 1 0 436.596 5.300 50 0 IKAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(C(C)C)cc1)N(CCC[NH+](C)C)C3=O ZINC000002704259 556123625 /nfs/dbraw/zinc/12/36/25/556123625.db2.gz HSYMGPNDNYBEEU-DEOSSOPVSA-N 1 0 432.564 5.030 50 0 IKAARO CCOc1ccccc1C[N@H+](CCc1ccc2c(c1)OCO2)Cc1cccc2ccccc21 ZINC000002768371 556139828 /nfs/dbraw/zinc/13/98/28/556139828.db2.gz CZQIHYHPNTUNNC-UHFFFAOYSA-N 1 0 439.555 6.212 50 0 IKAARO CC(C)(C)c1ccc([C@@H]([NH+]2CCCCC2)[P@](=O)(c2ccccc2)N2CCCCC2)cc1 ZINC000008306330 556156400 /nfs/dbraw/zinc/15/64/00/556156400.db2.gz NGUXLPQALAJFEY-SUYBVONHSA-N 1 0 438.596 6.558 50 0 IKAARO CC[C@@H]1CCCC[N@@H+]1[C@@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O ZINC000008414660 556167373 /nfs/dbraw/zinc/16/73/73/556167373.db2.gz SKFHLRLOYXFONB-WIYYLYMNSA-N 1 0 433.577 5.168 50 0 IKAARO CCCC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008437848 556173930 /nfs/dbraw/zinc/17/39/30/556173930.db2.gz HJUIUDAWJVCNHU-UHFFFAOYSA-N 1 0 447.200 6.233 50 0 IKAARO C[C@H]1CC[C@]2(C)[C@H]3C[C@@H]4[C@H](CC[C@@H]5[C@@H]4C[N@@H+]4C[C@@H](C)CC[C@@H]4[C@@]5(C)O)[C@@H]3CC(=O)[C@H]2C1 ZINC000008438784 556174873 /nfs/dbraw/zinc/17/48/73/556174873.db2.gz YSOKTNCRCPDOCA-OPNRCYEZSA-N 1 0 427.673 5.162 50 0 IKAARO CCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000008454419 556185011 /nfs/dbraw/zinc/18/50/11/556185011.db2.gz FAQDEOCBZPQXSL-CQSZACIVSA-N 1 0 444.398 5.424 50 0 IKAARO COc1ccc(OCc2cccc(C(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)c2)cc1 ZINC000008684277 556199557 /nfs/dbraw/zinc/19/95/57/556199557.db2.gz BLOGWUGUDOCQQS-UHFFFAOYSA-N 1 0 430.548 5.512 50 0 IKAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1CSc1nc2ccccc2[nH]1 ZINC000008740300 556206269 /nfs/dbraw/zinc/20/62/69/556206269.db2.gz IYYGDDRCJUCTLJ-DEOSSOPVSA-N 1 0 440.572 5.580 50 0 biogenic IKAARO O=C(Nc1ccccc1)C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000008744676 556208426 /nfs/dbraw/zinc/20/84/26/556208426.db2.gz HSAZDWKGMDRBTM-UHFFFAOYSA-N 1 0 436.559 5.390 50 0 IKAARO COc1ccc2[nH+]c(C)cc(Nc3ccc(Oc4ccc(Cl)cc4)c(Cl)c3)c2c1 ZINC000008926215 556233976 /nfs/dbraw/zinc/23/39/76/556233976.db2.gz NUGRITYIZUXWRQ-UHFFFAOYSA-N 1 0 425.315 7.395 50 0 IKAARO O=C(NCc1ccccc1Cl)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000009425618 556289987 /nfs/dbraw/zinc/28/99/87/556289987.db2.gz SIXWJIMRFKBSCU-UHFFFAOYSA-N 1 0 448.994 5.447 50 0 IKAARO CC[NH+](CC)CCCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000013734444 556297124 /nfs/dbraw/zinc/29/71/24/556297124.db2.gz KDALPESUEQIIEZ-UHFFFAOYSA-N 1 0 425.400 5.403 50 0 IKAARO c1c(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000032740426 556300350 /nfs/dbraw/zinc/30/03/50/556300350.db2.gz NBVZMKCIRQMPLU-MUUNZHRXSA-N 1 0 430.555 6.008 50 0 IKAARO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc1 ZINC000013778089 556307701 /nfs/dbraw/zinc/30/77/01/556307701.db2.gz KYVWHOUGNSMFTK-HNPKZYAISA-N 1 0 444.575 5.155 50 0 IKAARO COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCC[NH+](C)C)cc1Br ZINC000013810010 556311533 /nfs/dbraw/zinc/31/15/33/556311533.db2.gz BDFUGVFIPSGWIV-LNVKXUELSA-N 1 0 446.414 5.172 50 0 IKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000009892173 556315286 /nfs/dbraw/zinc/31/52/86/556315286.db2.gz MMNQZSVIGOREMH-UHFFFAOYSA-N 1 0 439.353 5.947 50 0 IKAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000013895333 556328927 /nfs/dbraw/zinc/32/89/27/556328927.db2.gz ZYENNWBEMPIUKD-UHFFFAOYSA-N 1 0 442.603 5.526 50 0 IKAARO CCC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1)c1ccccc1 ZINC000010436332 556334499 /nfs/dbraw/zinc/33/44/99/556334499.db2.gz VRHRIBVDGGWXSF-DEOSSOPVSA-N 1 0 428.403 7.512 50 0 IKAARO O=C(C1CC[NH+](Cc2ccccc2Cl)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000013940494 556337851 /nfs/dbraw/zinc/33/78/51/556337851.db2.gz DFQBQBLCNOQQFU-UHFFFAOYSA-N 1 0 447.022 5.824 50 0 IKAARO C[N@@H+]1C[C@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000229875873 556337977 /nfs/dbraw/zinc/33/79/77/556337977.db2.gz GYOAHBGWMYFOGR-MSOLQXFVSA-N 1 0 434.750 6.435 50 0 IKAARO COc1cc(C[NH2+]Cc2cccnc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000013945875 556342991 /nfs/dbraw/zinc/34/29/91/556342991.db2.gz KBAIJVSILUKZOG-UHFFFAOYSA-N 1 0 427.342 5.030 50 0 IKAARO COc1ccc2cc(-c3n[nH]cc3C[NH2+][C@H](c3nc4cc(C)ccc4[nH]3)C(C)C)ccc2c1 ZINC000011664742 556345224 /nfs/dbraw/zinc/34/52/24/556345224.db2.gz GMINVGCOMGNYJS-VWLOTQADSA-N 1 0 439.563 5.910 50 0 IKAARO C[C@@H]([NH2+]Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21)c1ccc(F)cc1 ZINC000011664864 556345746 /nfs/dbraw/zinc/34/57/46/556345746.db2.gz MDJHANWEZJYRDN-QGZVFWFLSA-N 1 0 442.966 5.384 50 0 IKAARO COc1cc(/C=C/C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)ccc1O ZINC000011701148 556347261 /nfs/dbraw/zinc/34/72/61/556347261.db2.gz WNITYRNEBMGHGR-RHRNASEZSA-N 1 0 432.520 5.025 50 0 IKAARO O=C1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)CC[C@@H]2N1Cc1ccc(C(F)(F)F)cc1 ZINC000011788944 556354600 /nfs/dbraw/zinc/35/46/00/556354600.db2.gz KDGXQRSCUAUXED-NQIIRXRSSA-N 1 0 436.905 5.372 50 0 IKAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000014017456 556355956 /nfs/dbraw/zinc/35/59/56/556355956.db2.gz XVFNINRVCSEQIS-UHFFFAOYSA-N 1 0 440.547 5.175 50 0 IKAARO Cc1nnc(-c2cccc(NC(=O)C3CC[NH+](CC[C@H](C)c4ccccc4)CC3)c2)s1 ZINC000011816299 556358719 /nfs/dbraw/zinc/35/87/19/556358719.db2.gz WOEPYVHBRBPVIV-SFHVURJKSA-N 1 0 434.609 5.358 50 0 IKAARO Cc1nnc(-c2cccc(NC(=O)C3CC[NH+](CC[C@@H](C)c4ccccc4)CC3)c2)s1 ZINC000011816298 556358726 /nfs/dbraw/zinc/35/87/26/556358726.db2.gz WOEPYVHBRBPVIV-GOSISDBHSA-N 1 0 434.609 5.358 50 0 IKAARO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@H](CCC(=O)Nc4ccccc4F)C3)c2)n1 ZINC000011817910 556359918 /nfs/dbraw/zinc/35/99/18/556359918.db2.gz RMTLLXIHIDOLOB-OAQYLSRUSA-N 1 0 434.559 5.259 50 0 IKAARO OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000011817852 556360081 /nfs/dbraw/zinc/36/00/81/556360081.db2.gz ODWRKDOGRYXMDF-UHFFFAOYSA-N 1 0 438.571 5.543 50 0 IKAARO COc1ccc(OC)c(-c2nc(C[N@@H+]3CCC[C@H](COc4cccc(F)c4)C3)c(C)o2)c1 ZINC000011817975 556360470 /nfs/dbraw/zinc/36/04/70/556360470.db2.gz JELHWQANQIKVNZ-SFHVURJKSA-N 1 0 440.515 5.097 50 0 IKAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)c2cc(F)cc(F)c2)CC1 ZINC000011820803 556362324 /nfs/dbraw/zinc/36/23/24/556362324.db2.gz ZDZKMJDAVREGIX-UHFFFAOYSA-N 1 0 449.545 5.223 50 0 IKAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+]([C@H](C)Cc2ncccc2C)CC1 ZINC000011820578 556362405 /nfs/dbraw/zinc/36/24/05/556362405.db2.gz HXNNJYIRDXLYIB-LJQANCHMSA-N 1 0 448.529 5.228 50 0 IKAARO Cc1cccc(-c2nc3c(C)cccc3cc2CN(CC[NH+](C)C)C(=O)c2cccs2)c1 ZINC000011839327 556364283 /nfs/dbraw/zinc/36/42/83/556364283.db2.gz SKVVWWNKNPSTKU-UHFFFAOYSA-N 1 0 443.616 5.784 50 0 IKAARO C[C@@H](Cc1ccccc1F)[NH+]1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 ZINC000011844589 556367595 /nfs/dbraw/zinc/36/75/95/556367595.db2.gz WHIGABCMBUZJAH-NRFANRHFSA-N 1 0 448.586 5.252 50 0 IKAARO O=C(CCc1ccccc1F)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011873873 556370257 /nfs/dbraw/zinc/37/02/57/556370257.db2.gz MJNMGLATRKFGTC-HSZRJFAPSA-N 1 0 437.603 5.227 50 0 IKAARO O=C(CCc1ccccc1F)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011873874 556370319 /nfs/dbraw/zinc/37/03/19/556370319.db2.gz MJNMGLATRKFGTC-QHCPKHFHSA-N 1 0 437.603 5.227 50 0 IKAARO C[C@H](NC(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1)c1nccs1 ZINC000011873902 556370369 /nfs/dbraw/zinc/37/03/69/556370369.db2.gz NSOIIUSODXGHHU-HNNXBMFYSA-N 1 0 436.021 5.177 50 0 IKAARO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH2+][C@@H](C)Cc4ccsc4)CC3)cc2)c(C)c1 ZINC000011881113 556372909 /nfs/dbraw/zinc/37/29/09/556372909.db2.gz PLNYJDYFKZJGSN-NRFANRHFSA-N 1 0 447.648 5.807 50 0 IKAARO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)cc3)[NH+]3CCCCCC3)no2)cc1 ZINC000011905302 556374004 /nfs/dbraw/zinc/37/40/04/556374004.db2.gz YLKPSNXYNWOSSH-XMMPIXPASA-N 1 0 433.552 5.006 50 0 IKAARO COc1ccc(-n2cc(C[NH2+]Cc3ccc4c(c3)OCO4)c(-c3ccccc3Cl)n2)cc1 ZINC000011934178 556377463 /nfs/dbraw/zinc/37/74/63/556377463.db2.gz FNCOZKXSQXZVSL-UHFFFAOYSA-N 1 0 447.922 5.220 50 0 IKAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)C1(c2ccccc2)CC1 ZINC000011934062 556377617 /nfs/dbraw/zinc/37/76/17/556377617.db2.gz PEUFCDQDPKIALN-UHFFFAOYSA-N 1 0 444.541 5.150 50 0 IKAARO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000011935164 556378003 /nfs/dbraw/zinc/37/80/03/556378003.db2.gz AOWDZRRWLIPUML-SFHVURJKSA-N 1 0 438.522 5.294 50 0 IKAARO O=C(c1nc2ccc(Cl)cn2c1C[NH2+]CCCc1ccccc1)N1CCCCCCC1 ZINC000011936433 556378774 /nfs/dbraw/zinc/37/87/74/556378774.db2.gz ACAGDZXOIGXAID-UHFFFAOYSA-N 1 0 439.003 5.116 50 0 IKAARO CCCCc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)[nH]1 ZINC000011936745 556379124 /nfs/dbraw/zinc/37/91/24/556379124.db2.gz AJRCDANKWRYMHK-NRFANRHFSA-N 1 0 446.595 5.279 50 0 IKAARO O=C(c1cc(F)c(F)cc1F)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011937469 556379137 /nfs/dbraw/zinc/37/91/37/556379137.db2.gz QYIKUIZKYFJZBR-LJQANCHMSA-N 1 0 445.529 5.186 50 0 IKAARO C/C(=C\c1ccccc1)C[NH+]1CCC2(C[C@@H]2C(=O)NCc2ccccc2C(F)(F)F)CC1 ZINC000011965603 556381814 /nfs/dbraw/zinc/38/18/14/556381814.db2.gz RZARQIUOSSTGJD-QYAIIROKSA-N 1 0 442.525 5.527 50 0 IKAARO CCCc1ncc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)cn1 ZINC000012023309 556387015 /nfs/dbraw/zinc/38/70/15/556387015.db2.gz GHYWHPMDWRWXAM-UHFFFAOYSA-N 1 0 448.542 5.211 50 0 IKAARO O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CC12CC[NH+](CCCc1ccccc1)CC2 ZINC000012039755 556390427 /nfs/dbraw/zinc/39/04/27/556390427.db2.gz WLJQAUZVKGOEJA-QFIPXVFZSA-N 1 0 430.514 5.057 50 0 IKAARO O=C(c1ccco1)N([C@H](Cc1ccccc1)C1CC[NH+](Cc2ccccc2F)CC1)C1CC1 ZINC000012054711 556393446 /nfs/dbraw/zinc/39/34/46/556393446.db2.gz SWVBUZIDQVFHLK-AREMUKBSSA-N 1 0 446.566 5.547 50 0 IKAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(n3nccc3NC(=O)CCc3ccccc3)CC1)=CC2 ZINC000012058567 556395165 /nfs/dbraw/zinc/39/51/65/556395165.db2.gz LAMZVIDFDHKFKH-UPVQGACJSA-N 1 0 432.612 5.084 50 0 IKAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1oc2ccccc2c1COc1ccccc1 ZINC000014252510 556409503 /nfs/dbraw/zinc/40/95/03/556409503.db2.gz NGACEMAFJHQODR-NRFANRHFSA-N 1 0 426.516 5.016 50 0 IKAARO CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+]2CCCCC2)cc1 ZINC000032622641 556409943 /nfs/dbraw/zinc/40/99/43/556409943.db2.gz DUIAWLBGUKLNJV-NRFANRHFSA-N 1 0 437.609 5.658 50 0 IKAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1cc(-c2cccs2)on1 ZINC000032623493 556410705 /nfs/dbraw/zinc/41/07/05/556410705.db2.gz XCFLJFRLGICAPR-LJQANCHMSA-N 1 0 429.973 5.404 50 0 IKAARO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)[NH+]2CCCC2)cc1 ZINC000032624335 556411229 /nfs/dbraw/zinc/41/12/29/556411229.db2.gz JJRYGBODEKZDIW-RUZDIDTESA-N 1 0 429.564 5.096 50 0 IKAARO c1csc([C@@H](CNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)[NH+]2CCCC2)c1 ZINC000013030162 556442262 /nfs/dbraw/zinc/44/22/62/556442262.db2.gz ATOZNYIIEKJYJU-GOSISDBHSA-N 1 0 447.633 5.553 50 0 IKAARO Clc1ccc(-c2csc3ncnc(NC[C@H](c4ccccc4)[NH+]4CCCC4)c23)cc1 ZINC000013031176 556442461 /nfs/dbraw/zinc/44/24/61/556442461.db2.gz QWANRNRPGJOGEZ-OAQYLSRUSA-N 1 0 434.996 6.261 50 0 IKAARO O=C(c1ccc(Cl)cc1)[C@H]1C[N@H+](C2CCCCC2)CC[C@@]1(O)c1ccc(Cl)cc1 ZINC000013041488 556447568 /nfs/dbraw/zinc/44/75/68/556447568.db2.gz CPVHOEXRGVOAQJ-ISKFKSNPSA-N 1 0 432.391 5.719 50 0 IKAARO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028289988 556449517 /nfs/dbraw/zinc/44/95/17/556449517.db2.gz GWPWSUHRRKBVLL-XMMPIXPASA-N 1 0 432.608 6.222 50 0 IKAARO CCOC(C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1)OCC ZINC000013112614 556465227 /nfs/dbraw/zinc/46/52/27/556465227.db2.gz HYZHKSYIQVNAQG-UHFFFAOYSA-N 1 0 428.356 5.070 50 0 IKAARO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(F)c(OC)c2)C1 ZINC000014968588 556466509 /nfs/dbraw/zinc/46/65/09/556466509.db2.gz WCRLKABLZZZLCB-MRXNPFEDSA-N 1 0 434.939 5.127 50 0 IKAARO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(OC)c2)C1 ZINC000014968584 556466567 /nfs/dbraw/zinc/46/65/67/556466567.db2.gz WCRLKABLZZZLCB-INIZCTEOSA-N 1 0 434.939 5.127 50 0 IKAARO CCOc1cccc(C[NH+]2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)c1 ZINC000014969765 556466823 /nfs/dbraw/zinc/46/68/23/556466823.db2.gz ARMILWZHLIXWIZ-UHFFFAOYSA-N 1 0 446.595 5.080 50 0 IKAARO Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000029096833 556467406 /nfs/dbraw/zinc/46/74/06/556467406.db2.gz HEMUJINVEQLEOY-UHFFFAOYSA-N 1 0 446.639 5.134 50 0 IKAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccc(Cl)s2)CC1 ZINC000014974579 556467990 /nfs/dbraw/zinc/46/79/90/556467990.db2.gz GDHAJPSLBFTUCS-OAQYLSRUSA-N 1 0 447.044 5.243 50 0 IKAARO CCOc1ccccc1C[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 ZINC000014975355 556468479 /nfs/dbraw/zinc/46/84/79/556468479.db2.gz PYAGFKMGWYLZGD-UHFFFAOYSA-N 1 0 438.959 5.025 50 0 IKAARO Cc1ccccc1CN1CC[C@@H]([N@H+](C)Cc2csc(-c3cccs3)n2)CCC1=O ZINC000014977759 556469612 /nfs/dbraw/zinc/46/96/12/556469612.db2.gz AOUKYHNZVXFZKW-FQEVSTJZSA-N 1 0 425.623 5.193 50 0 IKAARO Cc1ccccc1CN1CC[C@H]([N@H+](C)Cc2csc(-c3cccs3)n2)CCC1=O ZINC000014977762 556469622 /nfs/dbraw/zinc/46/96/22/556469622.db2.gz AOUKYHNZVXFZKW-HXUWFJFHSA-N 1 0 425.623 5.193 50 0 IKAARO C[N@H+](Cc1cccs1)Cc1ccc(OCC[C@@H]2CCCCN2C(=O)c2cccnc2)cc1 ZINC000014993393 556476207 /nfs/dbraw/zinc/47/62/07/556476207.db2.gz HTTSLYOTUZRYJU-QHCPKHFHSA-N 1 0 449.620 5.239 50 0 IKAARO Cc1[nH]c2c(cccc2C(=O)NC[C@@H](C)Oc2cccc(C[N@H+](C)Cc3ccoc3)c2)c1C ZINC000014999848 556479490 /nfs/dbraw/zinc/47/94/90/556479490.db2.gz GPVLMJXRUOXAAN-GOSISDBHSA-N 1 0 445.563 5.207 50 0 IKAARO COc1cc2cc(C[N@H+](C)Cc3ccsc3)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000015001196 556479774 /nfs/dbraw/zinc/47/97/74/556479774.db2.gz JIDYIPMFOKKQMV-UHFFFAOYSA-N 1 0 440.609 5.293 50 0 IKAARO O=C(NC[C@H]1CCC[N@@H+](C2C3CC4CC(C3)CC2C4)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000015063724 556491420 /nfs/dbraw/zinc/49/14/20/556491420.db2.gz HKMUWVDXRLVARO-LEBZOEITSA-N 1 0 427.032 5.025 50 0 IKAARO CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2ccc(C)s2)CC1 ZINC000015065483 556492475 /nfs/dbraw/zinc/49/24/75/556492475.db2.gz UQTHFBIBUZYQNO-UHFFFAOYSA-N 1 0 425.516 5.463 50 0 IKAARO CC(C)Oc1ccc(C[NH+]2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)cc1 ZINC000015065646 556492786 /nfs/dbraw/zinc/49/27/86/556492786.db2.gz KPIQWEUOUJHSOV-UHFFFAOYSA-N 1 0 446.595 5.079 50 0 IKAARO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000015067034 556493295 /nfs/dbraw/zinc/49/32/95/556493295.db2.gz XTDADCYKYIVXOD-HXUWFJFHSA-N 1 0 434.634 5.702 50 0 IKAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)cc1 ZINC000015071332 556496197 /nfs/dbraw/zinc/49/61/97/556496197.db2.gz PAPPXRHZSSNDHO-FQEVSTJZSA-N 1 0 436.502 5.491 50 0 IKAARO CCCC[N@H+](Cc1ccccc1)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000015071309 556496281 /nfs/dbraw/zinc/49/62/81/556496281.db2.gz ADMQXZZCTJVENH-OAQYLSRUSA-N 1 0 442.987 5.252 50 0 IKAARO CCc1ccccc1NC(=O)c1c(NC(=O)C[NH2+]CC(C)C)sc2c1CCCCC2 ZINC000004554291 556502914 /nfs/dbraw/zinc/50/29/14/556502914.db2.gz MGTXUQRHQGOKAU-UHFFFAOYSA-N 1 0 427.614 5.016 50 0 IKAARO C[C@@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H](C)C1(O)c1ccc(F)cc1 ZINC000013553042 556515400 /nfs/dbraw/zinc/51/54/00/556515400.db2.gz CRQSSISIXUBQTB-KQACMCHDSA-N 1 0 444.377 6.678 50 0 IKAARO CC(=O)N[C@H](CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccc(Cl)cc1 ZINC000032900678 556529810 /nfs/dbraw/zinc/52/98/10/556529810.db2.gz QVPQTYDPYCGFOS-XMMPIXPASA-N 1 0 442.003 5.311 50 0 IKAARO COc1ccc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1Br ZINC000032903624 556539947 /nfs/dbraw/zinc/53/99/47/556539947.db2.gz QDJSLGWUQFMIKL-UHFFFAOYSA-N 1 0 431.374 5.475 50 0 IKAARO Cc1ccsc1C[NH+]1CCC(C(=O)N(CCc2ccccc2)Cc2ccccc2)CC1 ZINC000015856041 556557657 /nfs/dbraw/zinc/55/76/57/556557657.db2.gz WUTCSTWIYWBVJR-UHFFFAOYSA-N 1 0 432.633 5.540 50 0 IKAARO Cc1c(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)sc2nc(C3CC3)nc(C)c12 ZINC000032908104 556564152 /nfs/dbraw/zinc/56/41/52/556564152.db2.gz VKODEJGXUGYXRM-UHFFFAOYSA-N 1 0 448.636 6.202 50 0 IKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4)cc2)N3)C1 ZINC000015946365 556567462 /nfs/dbraw/zinc/56/74/62/556567462.db2.gz GCEMVDDEIAMELI-QFIPXVFZSA-N 1 0 447.560 5.163 50 0 IKAARO COc1cc(C[NH2+]CCc2nnc(-c3ccccc3)o2)ccc1OCc1ccc(Cl)cc1 ZINC000072310926 556577004 /nfs/dbraw/zinc/57/70/04/556577004.db2.gz HSWLZQPEEMIEFE-UHFFFAOYSA-N 1 0 449.938 5.310 50 0 IKAARO CCOc1ccc([C@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004584093 556586993 /nfs/dbraw/zinc/58/69/93/556586993.db2.gz NPCXGPLIJVVWJP-URLMMPGGSA-N 1 0 429.604 5.785 50 0 IKAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000032967243 556587939 /nfs/dbraw/zinc/58/79/39/556587939.db2.gz QHIVLRLOQJFRMW-QHCPKHFHSA-N 1 0 438.955 5.469 50 0 IKAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000032967241 556587962 /nfs/dbraw/zinc/58/79/62/556587962.db2.gz QHIVLRLOQJFRMW-HSZRJFAPSA-N 1 0 438.955 5.469 50 0 IKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4)c(OC)c2)N3)C1 ZINC000016193288 556589029 /nfs/dbraw/zinc/58/90/29/556589029.db2.gz UJRKDSHUDUJGIJ-QHCPKHFHSA-N 1 0 449.576 5.143 50 0 IKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4)c(OC)c2)N3)C1 ZINC000016193291 556589253 /nfs/dbraw/zinc/58/92/53/556589253.db2.gz UJRKDSHUDUJGIJ-HSZRJFAPSA-N 1 0 449.576 5.143 50 0 IKAARO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1ccc(F)cc1Cl ZINC000016214753 556591625 /nfs/dbraw/zinc/59/16/25/556591625.db2.gz MXESDQSWDDGTOE-UHFFFAOYSA-N 1 0 429.875 5.085 50 0 IKAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(C(C)(C)C)cc1)N(CCC[NH+](C)C)C3=O ZINC000016346283 556601400 /nfs/dbraw/zinc/60/14/00/556601400.db2.gz DXWNQOMLMPJXFW-DEOSSOPVSA-N 1 0 446.591 5.204 50 0 IKAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000032983807 556602593 /nfs/dbraw/zinc/60/25/93/556602593.db2.gz NQLUWRSAOAOTAO-IBGZPJMESA-N 1 0 427.907 5.009 50 0 IKAARO CCOc1cc(C[NH2+]C2CCCCCCC2)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000016382776 556604080 /nfs/dbraw/zinc/60/40/80/556604080.db2.gz GALQIBJZOYBHDW-UHFFFAOYSA-N 1 0 440.584 5.314 50 0 IKAARO O=C(CCCc1nc2ccccc2s1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000032988534 556608710 /nfs/dbraw/zinc/60/87/10/556608710.db2.gz QTMUKPSFQAKAGY-HXUWFJFHSA-N 1 0 428.001 5.226 50 0 IKAARO O=C(NCCSCc1ccco1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000016478897 556611166 /nfs/dbraw/zinc/61/11/66/556611166.db2.gz MZNQFTHPVRPGFD-UHFFFAOYSA-N 1 0 448.632 5.398 50 0 IKAARO C[C@@H]([NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000016576196 556616126 /nfs/dbraw/zinc/61/61/26/556616126.db2.gz DSIQBGKJECUQGB-GWKODMSMSA-N 1 0 444.446 7.267 50 0 IKAARO CCOc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016689150 556627059 /nfs/dbraw/zinc/62/70/59/556627059.db2.gz WXCFTWZQSWULOH-UHFFFAOYSA-N 1 0 430.375 6.303 50 0 IKAARO Fc1ccc(OC2=CC[N@H+](CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000039281602 556627682 /nfs/dbraw/zinc/62/76/82/556627682.db2.gz ORAFXRPIMNAPTG-UHFFFAOYSA-N 1 0 438.493 6.301 50 0 IKAARO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)NCc4ccc(C)cc4)C3)c(C)o2)cc1 ZINC000005055945 556627802 /nfs/dbraw/zinc/62/78/02/556627802.db2.gz MMSRMUUDBVMILG-DEOSSOPVSA-N 1 0 431.580 5.049 50 0 IKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@@H](C(=O)NC2CCCCCC2)C1 ZINC000005056191 556628011 /nfs/dbraw/zinc/62/80/11/556628011.db2.gz AFCDIWFPIZGVAJ-LJQANCHMSA-N 1 0 429.992 5.354 50 0 IKAARO COc1ccc([C@](O)(CCc2ccccc2)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000005152879 556643247 /nfs/dbraw/zinc/64/32/47/556643247.db2.gz IOIGVAUFZBFTFN-FQLXRVMXSA-N 1 0 429.604 5.785 50 0 IKAARO COc1cccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000037572172 556643249 /nfs/dbraw/zinc/64/32/49/556643249.db2.gz UNBKNFVTWMZUFL-UHFFFAOYSA-N 1 0 428.576 5.623 50 0 IKAARO CCc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000037587689 556645917 /nfs/dbraw/zinc/64/59/17/556645917.db2.gz GJBKAGPUETZOJP-UHFFFAOYSA-N 1 0 428.576 5.569 50 0 IKAARO O=C(c1ccccc1)N(C[C@@H]1C[N@H+](Cc2ccc[nH]2)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000247961769 556650714 /nfs/dbraw/zinc/65/07/14/556650714.db2.gz XTXXUZNVFNJAAJ-LSYYVWMOSA-N 1 0 441.619 5.705 50 0 IKAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)cc1O ZINC000042995763 556660673 /nfs/dbraw/zinc/66/06/73/556660673.db2.gz GOSLXGGIPJMYSR-QGZVFWFLSA-N 1 0 431.458 5.189 50 0 IKAARO Clc1ccc(Oc2cccc(CN3CC[N@@H+]4CCC[C@@H]4[C@@H]3C3CCCCC3)c2)cc1 ZINC000043164409 556661065 /nfs/dbraw/zinc/66/10/65/556661065.db2.gz CAUUZMHTQOKFAB-FTJBHMTQSA-N 1 0 425.016 6.361 50 0 IKAARO COc1ccccc1[C@H]1C[N@H+](Cc2cc(C)c(C)o2)C[C@H]1CN(CC(C)C)C(=O)C(C)C ZINC000248260198 556677618 /nfs/dbraw/zinc/67/76/18/556677618.db2.gz VUAJCQXHVVSRPJ-DHLKQENFSA-N 1 0 440.628 5.261 50 0 IKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([NH2+][C@H]5CCCC[C@H]5C)C4=O)cc3)sc2c1 ZINC000248329894 556680215 /nfs/dbraw/zinc/68/02/15/556680215.db2.gz DVJSWUYRKLDTMP-PBEJRMEISA-N 1 0 433.577 5.072 50 0 IKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025212 556699324 /nfs/dbraw/zinc/69/93/24/556699324.db2.gz IPODMYQPTIZTQE-IBGZPJMESA-N 1 0 447.558 5.021 50 0 IKAARO CC(C)P(=O)(C(C)C)[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[NH+]1CCCCC1 ZINC000005165977 556699411 /nfs/dbraw/zinc/69/94/11/556699411.db2.gz NVWDVNBEKPSUGV-DEOSSOPVSA-N 1 0 435.633 7.652 50 0 IKAARO CC(C)P(=O)(C(C)C)[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[NH+]1CCCCC1 ZINC000005170443 556719534 /nfs/dbraw/zinc/71/95/34/556719534.db2.gz NVWDVNBEKPSUGV-XMMPIXPASA-N 1 0 435.633 7.652 50 0 IKAARO O=C(Nc1ccccc1-c1ccccc1)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055107550 556735009 /nfs/dbraw/zinc/73/50/09/556735009.db2.gz LNPVJWNAAMDRBI-VWLOTQADSA-N 1 0 440.591 5.172 50 0 IKAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccc([C@@H]3CCCCO3)s2)CC1 ZINC000055358745 556740475 /nfs/dbraw/zinc/74/04/75/556740475.db2.gz PTTRHXDIGJDHOP-QFIPXVFZSA-N 1 0 427.610 5.378 50 0 IKAARO O=C1CCCc2c3cc(Cl)ccc3n(CC[NH+](Cc3ccccc3)Cc3ccccc3)c21 ZINC000055455742 556741532 /nfs/dbraw/zinc/74/15/32/556741532.db2.gz BBNHSUMBGDOGNV-UHFFFAOYSA-N 1 0 442.990 6.516 50 0 IKAARO O[C@H]1CCCc2c3cc(Cl)ccc3n(CC[NH+](Cc3ccccc3)Cc3ccccc3)c21 ZINC000057049732 556746725 /nfs/dbraw/zinc/74/67/25/556746725.db2.gz WJQLGSFNVVNNMH-MHZLTWQESA-N 1 0 445.006 6.367 50 0 IKAARO CC(C)COc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000057254370 556746943 /nfs/dbraw/zinc/74/69/43/556746943.db2.gz AXITVENABWJYBZ-UHFFFAOYSA-N 1 0 443.591 5.296 50 0 IKAARO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c(C)n1C1CC1 ZINC000058161229 556764996 /nfs/dbraw/zinc/76/49/96/556764996.db2.gz DRXYSIQPWPOXKD-UHFFFAOYSA-N 1 0 428.580 5.014 50 0 IKAARO CCOc1cc(C[NH2+]CC[C@H](c2ccc(OC(C)C)cc2)C2CCCCC2)ccc1OC ZINC000005321933 556766927 /nfs/dbraw/zinc/76/69/27/556766927.db2.gz FDYPZVDNWMLOJW-SANMLTNESA-N 1 0 439.640 6.725 50 0 IKAARO CCCN(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058268050 556776619 /nfs/dbraw/zinc/77/66/19/556776619.db2.gz TVXJLUHLHGEDOK-HXUWFJFHSA-N 1 0 433.518 5.021 50 0 IKAARO CCOC(=O)c1c(NC(=O)CC[NH+]2CCCCCC2)sc(C)c1-c1ccc(Cl)cc1 ZINC000002679260 556803056 /nfs/dbraw/zinc/80/30/56/556803056.db2.gz FWTBPXSWDDPCCX-UHFFFAOYSA-N 1 0 449.016 5.758 50 0 IKAARO C(\c1ccccc1)=C1\CCC[C@@H]2[C@@H](c3ccccc3)C3=C(CCCC3)O[C@]12[NH+]1CCCC1 ZINC000059606948 556803062 /nfs/dbraw/zinc/80/30/62/556803062.db2.gz IJXXRBRQXUPTCZ-QGZLLXAOSA-N 1 0 425.616 7.304 50 0 IKAARO CCOc1cc(/C=C/C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)ccc1OCc1ccccc1 ZINC000003298416 556811279 /nfs/dbraw/zinc/81/12/79/556811279.db2.gz ITRXRVVYJWRDGF-LEJURUINSA-N 1 0 444.575 5.097 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccccc3Cl)=NN12 ZINC000005477817 556815690 /nfs/dbraw/zinc/81/56/90/556815690.db2.gz JEJYEGWHAPNYEN-NRFANRHFSA-N 1 0 425.960 5.094 50 0 IKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3sc4ncccc4c3-n3cccc3)CC2)cc1 ZINC000033059854 556816426 /nfs/dbraw/zinc/81/64/26/556816426.db2.gz DADRVCQYWFMLND-UHFFFAOYSA-N 1 0 444.604 5.037 50 0 IKAARO CC(C)Oc1ccc([C@H](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)c2ccc(F)cc2)cc1 ZINC000005501237 556820005 /nfs/dbraw/zinc/82/00/05/556820005.db2.gz HWPUVKJLWUXEAN-AFMDSPMNSA-N 1 0 425.975 7.139 50 0 IKAARO CSc1ccc2cc(C[NH2+]C[C@@H]3COc4ccccc4O3)c(-c3cccs3)nc2c1 ZINC000064066703 556822703 /nfs/dbraw/zinc/82/27/03/556822703.db2.gz CYBRUZNVVDNVPV-GOSISDBHSA-N 1 0 434.586 5.615 50 0 IKAARO CSc1ccc2cc(C[NH2+]C[C@H]3COc4ccccc4O3)c(-c3cccs3)nc2c1 ZINC000064066704 556822761 /nfs/dbraw/zinc/82/27/61/556822761.db2.gz CYBRUZNVVDNVPV-SFHVURJKSA-N 1 0 434.586 5.615 50 0 IKAARO CC(=O)c1cc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)cs1 ZINC000064143417 556823053 /nfs/dbraw/zinc/82/30/53/556823053.db2.gz LPPZCECTZLGPFM-JOCHJYFZSA-N 1 0 425.642 5.393 50 0 IKAARO COc1ccc(CC[N@H+](C)[C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)cc1OC ZINC000034362915 556823337 /nfs/dbraw/zinc/82/33/37/556823337.db2.gz UAICRBQQFGDXAR-NRFANRHFSA-N 1 0 440.008 6.280 50 0 IKAARO CCn1c(SCC[NH+]2CCCCC2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000019639122 556836645 /nfs/dbraw/zinc/83/66/45/556836645.db2.gz YZCXOCKSWJJONY-UHFFFAOYSA-N 1 0 443.620 5.758 50 0 IKAARO CCCOc1ccc(C[NH+]2CCC(=C(c3ccc(O)cc3)c3ccc(O)cc3)CC2)cc1 ZINC000096602151 556837720 /nfs/dbraw/zinc/83/77/20/556837720.db2.gz IDPYBMGFEUZIQI-UHFFFAOYSA-N 1 0 429.560 5.985 50 0 IKAARO c1ccc(C(c2ccccc2)[NH+]2CCN(c3nc(C4CCC4)nc4ccccc43)CC2)cc1 ZINC000096602089 556837872 /nfs/dbraw/zinc/83/78/72/556837872.db2.gz JSVHNMBHZLYELA-UHFFFAOYSA-N 1 0 434.587 5.809 50 0 IKAARO CC1CC[NH+](Cc2ccc(NC(=O)c3cnc(N4CCCCC4)c4ccccc34)cc2)CC1 ZINC000033073250 556852710 /nfs/dbraw/zinc/85/27/10/556852710.db2.gz PFPWCFQWONSYGU-UHFFFAOYSA-N 1 0 442.607 5.709 50 0 IKAARO CCOc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(N4CCCCC4)n3)cc2)cc1 ZINC000033078146 556852930 /nfs/dbraw/zinc/85/29/30/556852930.db2.gz JDSQCCVBOHAKFD-UHFFFAOYSA-N 1 0 431.540 5.170 50 0 IKAARO COc1ccc(CN2C(=O)c3ccccc3[C@H]2[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004676893 556872754 /nfs/dbraw/zinc/87/27/54/556872754.db2.gz CPLKMMGVQMTAPZ-WRXYNROGSA-N 1 0 430.592 5.544 50 0 IKAARO COc1ccc(CN2C(=O)c3ccccc3[C@@H]2[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004676898 556872863 /nfs/dbraw/zinc/87/28/63/556872863.db2.gz CPLKMMGVQMTAPZ-QFWDNIQQSA-N 1 0 430.592 5.544 50 0 IKAARO Cc1cccc(-c2cc(Nc3cccc(C(=O)NCCC[NH+]4CCC(C)CC4)c3)ncn2)c1 ZINC000033260949 556897672 /nfs/dbraw/zinc/89/76/72/556897672.db2.gz HCRAZEGDZRFYCH-UHFFFAOYSA-N 1 0 443.595 5.047 50 0 IKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033261085 556898341 /nfs/dbraw/zinc/89/83/41/556898341.db2.gz FEPRFOIARAKWRO-LJQANCHMSA-N 1 0 447.558 5.021 50 0 IKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4cc(OC)cc(OC)c4)CC3)ccc21 ZINC000019781986 556913646 /nfs/dbraw/zinc/91/36/46/556913646.db2.gz IUHCJXSJWDGWNH-UHFFFAOYSA-N 1 0 443.591 5.149 50 0 IKAARO c1ccc(COc2cccc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2)cc1 ZINC000019823050 556924654 /nfs/dbraw/zinc/92/46/54/556924654.db2.gz ADJQGUADZOMXAH-UHFFFAOYSA-N 1 0 448.610 6.173 50 0 IKAARO Cc1[nH]c2ccccc2c1CC[NH2+]C1(c2nnnn2-c2c(C)cccc2C)CCCCC1 ZINC000019848393 556930142 /nfs/dbraw/zinc/93/01/42/556930142.db2.gz YDDTXHJKLNMKBF-UHFFFAOYSA-N 1 0 428.584 5.061 50 0 IKAARO O=C(COc1ccc2ccccc2c1)N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000019888721 556938667 /nfs/dbraw/zinc/93/86/67/556938667.db2.gz FUWBYCSDAQBASJ-UHFFFAOYSA-N 1 0 428.576 5.089 50 0 IKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([NH2+]C5CCCCCCC5)C4=O)cc3)sc2c1 ZINC000019890021 556938833 /nfs/dbraw/zinc/93/88/33/556938833.db2.gz VFKPWYBLEXOGSV-JOCHJYFZSA-N 1 0 447.604 5.606 50 0 IKAARO CCC[N@H+](CC1CC1)[C@@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O ZINC000019890053 556938891 /nfs/dbraw/zinc/93/88/91/556938891.db2.gz FMWUSZZVKQEKSI-OAQYLSRUSA-N 1 0 433.577 5.026 50 0 IKAARO Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cc1CC2 ZINC000033266759 556977966 /nfs/dbraw/zinc/97/79/66/556977966.db2.gz JTSXWFJUTIWCKJ-GOSISDBHSA-N 1 0 448.636 5.002 50 0 IKAARO Brc1ccc(OCc2ccccn2)c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1 ZINC000020111542 556986047 /nfs/dbraw/zinc/98/60/47/556986047.db2.gz JTWMFCPJMLUFQR-QFIPXVFZSA-N 1 0 434.337 5.140 50 0 biogenic IKAARO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@@H+]1CCC[C@H](CN2CCCC2=O)C1 ZINC000020149239 556990782 /nfs/dbraw/zinc/99/07/82/556990782.db2.gz SBPTYAHTDGHEJF-NRFANRHFSA-N 1 0 445.563 5.277 50 0 IKAARO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc4c(cccc4NC(C)=O)n3)C2)cc1 ZINC000020166719 556994052 /nfs/dbraw/zinc/99/40/52/556994052.db2.gz BAOHHHPXTCOJRR-LJQANCHMSA-N 1 0 433.577 5.010 50 0 IKAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)c(OC)c1C ZINC000020351470 557009086 /nfs/dbraw/zinc/00/90/86/557009086.db2.gz CUUYCJIZUVBXMH-SFHVURJKSA-N 1 0 447.535 5.496 50 0 IKAARO OC(C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)(c1ccccc1)c1ccccc1 ZINC000020421680 557015064 /nfs/dbraw/zinc/01/50/64/557015064.db2.gz MIWSTYFKHGVULN-UHFFFAOYSA-N 1 0 448.610 5.330 50 0 IKAARO CCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032524 557025121 /nfs/dbraw/zinc/02/51/21/557025121.db2.gz BWLPXCLCBKQIMK-UHFFFAOYSA-N 1 0 432.593 5.354 50 0 IKAARO CCCCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055653 557027230 /nfs/dbraw/zinc/02/72/30/557027230.db2.gz WHXWTBVMXPCQCJ-UHFFFAOYSA-N 1 0 438.015 5.471 50 0 IKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc2ccccc21 ZINC000046055762 557027641 /nfs/dbraw/zinc/02/76/41/557027641.db2.gz LIQGYMWIEKIGIH-UHFFFAOYSA-N 1 0 443.635 5.613 50 0 IKAARO COc1cc([C@H](C)[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)ccc1OCCO ZINC000048285678 557057811 /nfs/dbraw/zinc/05/78/11/557057811.db2.gz MSMNJGJWGGASQS-SFHVURJKSA-N 1 0 441.955 5.150 50 0 IKAARO O[C@@H](c1cccs1)C1CC[NH+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000023159379 557070267 /nfs/dbraw/zinc/07/02/67/557070267.db2.gz SAHSJPSXHNGDMA-AREMUKBSSA-N 1 0 429.589 5.751 50 0 IKAARO O=C(Nc1ccccc1)Nc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000048343446 557071257 /nfs/dbraw/zinc/07/12/57/557071257.db2.gz JMSBPJXVSNBOCI-NRFANRHFSA-N 1 0 428.536 5.181 50 0 IKAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2sc(-c3ccccc3)nc2C)CC1 ZINC000017365824 557074556 /nfs/dbraw/zinc/07/45/56/557074556.db2.gz JUUMXKAZCZHOIZ-UHFFFAOYSA-N 1 0 441.000 5.166 50 0 IKAARO CC1(C)CC(NCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC(C)(C)[NH2+]1 ZINC000023805481 557117028 /nfs/dbraw/zinc/11/70/28/557117028.db2.gz OOGNUYGERQIYKY-UHFFFAOYSA-N 1 0 434.411 5.645 50 0 IKAARO C[C@@](O)(c1ccccc1Cl)[C@@H](c1ccc(OCC[NH+]2CCCC2)cc1)c1ccccn1 ZINC000095918061 557161419 /nfs/dbraw/zinc/16/14/19/557161419.db2.gz HFTLWXIJZPQFAT-IZZNHLLZSA-N 1 0 436.983 5.249 50 0 IKAARO Cc1c(Cl)cccc1/C(N)=C(\Oc1ccc(OCCC[NH+](C)C)cc1)c1ccccn1 ZINC000095918085 557161641 /nfs/dbraw/zinc/16/16/41/557161641.db2.gz MHDZMIIFVIZEAX-OCOZRVBESA-N 1 0 437.971 5.237 50 0 IKAARO Fc1ccc(OC2=CC[N@H+](C[C@@H]3COC(c4ccccc4)(c4ccccc4)O3)CC2)cc1 ZINC000095918259 557161719 /nfs/dbraw/zinc/16/17/19/557161719.db2.gz FYZQRYJEDDUFJB-AREMUKBSSA-N 1 0 431.507 5.111 50 0 IKAARO CCOc1cc(C[NH2+][C@H]2CCCc3ccccc32)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000025259642 557201448 /nfs/dbraw/zinc/20/14/48/557201448.db2.gz KXTAFIMFQSNPHN-DEOSSOPVSA-N 1 0 438.612 5.277 50 0 IKAARO C[C@@]1(CCc2ccccc2)[NH2+]C[C@H](c2ccc(Cl)cc2Cl)c2c3ccccc3[nH]c21 ZINC000025480335 557211870 /nfs/dbraw/zinc/21/18/70/557211870.db2.gz BHMUOSZNNXHPOJ-RLWLMLJZSA-N 1 0 435.398 7.058 50 0 IKAARO COc1cccc([C@H]2C[NH2+][C@H](c3ccc(SC)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000025480349 557212115 /nfs/dbraw/zinc/21/21/15/557212115.db2.gz YUWKNXAQUIIHLZ-HYBUGGRVSA-N 1 0 430.573 5.732 50 0 IKAARO CC(C)c1ccc2c(c1)CC[C@H]1[C@@]2(C)CCC[C@]1(C)C[NH2+]Cc1cccc2ccccc21 ZINC000230153414 557212245 /nfs/dbraw/zinc/21/22/45/557212245.db2.gz JVRGEFPYXCXEQL-OLUZHXLYSA-N 1 0 425.660 7.763 50 0 IKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023315677 557214667 /nfs/dbraw/zinc/21/46/67/557214667.db2.gz UGZNPKSIWGMDLV-GOSISDBHSA-N 1 0 439.003 5.637 50 0 IKAARO Brc1ccc(-c2c[n+]3ccccc3n2-c2ccc(Br)cc2)cc1 ZINC000025583757 557217355 /nfs/dbraw/zinc/21/73/55/557217355.db2.gz VKFIQRKQAAAAEH-UHFFFAOYSA-N 1 0 429.135 5.408 50 0 IKAARO CC(C)(C)c1ccc([C@@H]2[NH2+]C[C@@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025719531 557223235 /nfs/dbraw/zinc/22/32/35/557223235.db2.gz JZQOEUZYAMGYPE-OFVILXPXSA-N 1 0 449.425 7.597 50 0 IKAARO CCOc1cc([C@@H]2[NH2+]C[C@@H](c3ccccc3)c3c4ccccc4[nH]c32)ccc1OCC(C)C ZINC000025719458 557223250 /nfs/dbraw/zinc/22/32/50/557223250.db2.gz OTJQJEUYFTUZQO-FIPFOOKPSA-N 1 0 440.587 6.426 50 0 IKAARO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000008004304 557229658 /nfs/dbraw/zinc/22/96/58/557229658.db2.gz MSLGAGZARNHVOI-HXUWFJFHSA-N 1 0 427.548 5.031 50 0 IKAARO c1c(C[NH2+]CCC(c2ccccc2)c2ccccc2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000013988004 557242762 /nfs/dbraw/zinc/24/27/62/557242762.db2.gz BOFHXTLZQHEPGG-UHFFFAOYSA-N 1 0 444.582 6.246 50 0 IKAARO COc1ccc([C@@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)[NH+]2CCCCCC2)cc1 ZINC000027583204 557266446 /nfs/dbraw/zinc/26/64/46/557266446.db2.gz MDHBJZCFSYVYRK-HSZRJFAPSA-N 1 0 434.580 5.714 50 0 IKAARO Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027581943 557266484 /nfs/dbraw/zinc/26/64/84/557266484.db2.gz QFICAYOSCHINED-NRFANRHFSA-N 1 0 428.935 5.881 50 0 IKAARO O=C(Cc1csc(-c2ccccc2Cl)n1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027605673 557267474 /nfs/dbraw/zinc/26/74/74/557267474.db2.gz OSMCAJZOMIFZJT-SFHVURJKSA-N 1 0 432.014 5.021 50 0 IKAARO COc1ccc([C@H](CNC(=O)c2oc3c(ccc(C)c3C)c2C)[NH+]2CCCCCC2)cc1 ZINC000027662246 557268951 /nfs/dbraw/zinc/26/89/51/557268951.db2.gz FSLHILYNSPIHRR-DEOSSOPVSA-N 1 0 434.580 5.714 50 0 IKAARO O=C(Nc1cccc2ccccc21)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022924022 557273560 /nfs/dbraw/zinc/27/35/60/557273560.db2.gz MVJSQPYQVXYGKK-UHFFFAOYSA-N 1 0 435.571 5.410 50 0 IKAARO C[C@H](C[NH+]1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1)c1ccccc1 ZINC000014973883 557277822 /nfs/dbraw/zinc/27/78/22/557277822.db2.gz WQPYHIQZIZRSKE-JOCHJYFZSA-N 1 0 430.596 5.285 50 0 IKAARO C[C@H]1CC[C@]2(C)[C@H]3C[C@@H]4[C@H](CC[C@@H]5[C@@H]4C[N@@H+]4C[C@@H](C)CC[C@@H]4[C@@]5(C)O)[C@H]3CC(=O)[C@H]2C1 ZINC000101084931 557282518 /nfs/dbraw/zinc/28/25/18/557282518.db2.gz YSOKTNCRCPDOCA-GADYRWAYSA-N 1 0 427.673 5.162 50 0 IKAARO C[NH+](CCCCOc1ccc2ccccc2c1)CCCCOc1ccc2ccccc2c1 ZINC000014083932 557299666 /nfs/dbraw/zinc/29/96/66/557299666.db2.gz XRTYTVLLGIMIHA-UHFFFAOYSA-N 1 0 427.588 6.943 50 0 IKAARO COc1ccc(OC)c(-c2cccc(-c3nc(C[N@@H+]4CC[C@@H]5CCCC[C@@H]5C4)cs3)c2)c1 ZINC000023442505 557358343 /nfs/dbraw/zinc/35/83/43/557358343.db2.gz XEFQBYMJDPUSMO-SIKLNZKXSA-N 1 0 448.632 6.506 50 0 IKAARO Fc1cccc(-c2cccc(-c3nc(C[NH+]4CCC(c5ccccc5)CC4)cs3)c2)c1 ZINC000023454575 557362204 /nfs/dbraw/zinc/36/22/04/557362204.db2.gz ASSZTMFSCNLTPC-UHFFFAOYSA-N 1 0 428.576 6.996 50 0 IKAARO CC(C)[C@H]1C[C@](CC[NH2+]Cc2ccc(Cl)cc2)(c2ccc(F)cc2)C[C@@H](C(C)C)O1 ZINC000524734585 557370807 /nfs/dbraw/zinc/37/08/07/557370807.db2.gz SKECJCACEUTHME-GPOLMCQNSA-N 1 0 432.023 6.756 50 0 IKAARO CC[NH+](CC)CC[C@@]1(c2ccccc2)c2ccccc2N(N(C)CCc2ccccc2)C1=O ZINC000031880590 557463328 /nfs/dbraw/zinc/46/33/28/557463328.db2.gz TUAQCGMVPNNPGW-GDLZYMKVSA-N 1 0 441.619 5.141 50 0 IKAARO Cc1cccc(C(=O)N(C[C@H]2C[N@H+](Cc3ccco3)C[C@H]2c2ccc(F)cc2)C2CC2)c1 ZINC000105042259 557473520 /nfs/dbraw/zinc/47/35/20/557473520.db2.gz PVTGCPAMFRJUOW-GJZUVCINSA-N 1 0 432.539 5.248 50 0 IKAARO FC(F)(F)c1cccc([C@@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2C[NH+]2CCCCC2)c1 ZINC000105047005 557473535 /nfs/dbraw/zinc/47/35/35/557473535.db2.gz XSYUPDUXSVZVGK-OFNKIYASSA-N 1 0 436.949 6.060 50 0 IKAARO CSc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000038545891 557591124 /nfs/dbraw/zinc/59/11/24/557591124.db2.gz VWSRIKURLXTAES-OAQYLSRUSA-N 1 0 426.607 6.199 50 0 IKAARO CC(C)CCOc1ccc2[nH]c(-c3cc(NCCc4cn5c(n4)SCC5)cc[nH+]3)cc2c1 ZINC000225465602 557725902 /nfs/dbraw/zinc/72/59/02/557725902.db2.gz ZEZDSIPQOIACMB-UHFFFAOYSA-N 1 0 447.608 5.612 50 0 IKAARO CC(C)n1c(=S)n(CN2CCC[C@@H]3CCCC[C@H]32)nc1-c1ccc(Cl)cc1Cl ZINC000229999360 557835111 /nfs/dbraw/zinc/83/51/11/557835111.db2.gz RWGDUDCBAGTJRV-HNAYVOBHSA-N 1 0 439.456 6.581 50 0 IKAARO CN1c2ccccc2C(C)(C)C1=CC=Cc1cc(-c2cccs2)[o+]c(-c2cccs2)c1 ZINC000685944465 557839073 /nfs/dbraw/zinc/83/90/73/557839073.db2.gz OVTGZSPRDQIFGN-MKMNVTDBSA-N 1 0 442.629 7.411 50 0 IKAARO COc1ccc(NC(=O)[C@H]2CC[C@H](c3ccccc3)[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034669829 557848102 /nfs/dbraw/zinc/84/81/02/557848102.db2.gz PYMSULKAMRDHTH-BKMJKUGQSA-N 1 0 430.548 5.296 50 0 IKAARO CCOC(=O)c1c2cc(O)c(Br)cc2n(-c2ccccc2)c1C[NH+](CC)CC ZINC000001170699 562920782 /nfs/dbraw/zinc/92/07/82/562920782.db2.gz BNKABIAJYGQYIL-UHFFFAOYSA-N 1 0 445.357 5.117 50 0 IKAARO COc1ccc([C@H](C)[NH2+]CC[C@H](c2ccc(OC(C)C)cc2)c2ccccc2OC)cc1 ZINC000001820226 562924730 /nfs/dbraw/zinc/92/47/30/562924730.db2.gz HJQQHUQIDZOELS-HFZDXXHNSA-N 1 0 433.592 6.364 50 0 biogenic IKAARO COc1ccc([C@H](C)[NH2+]CC[C@@H](c2ccc(OC(C)C)cc2)c2ccccc2OC)cc1 ZINC000001820227 562924735 /nfs/dbraw/zinc/92/47/35/562924735.db2.gz HJQQHUQIDZOELS-LVXARBLLSA-N 1 0 433.592 6.364 50 0 biogenic IKAARO COc1ccc([C@@H](C)[NH2+]CC[C@@H](c2ccc(OC(C)C)cc2)c2ccccc2OC)cc1 ZINC000001820229 562924825 /nfs/dbraw/zinc/92/48/25/562924825.db2.gz HJQQHUQIDZOELS-RLWLMLJZSA-N 1 0 433.592 6.364 50 0 biogenic IKAARO CC(C)CC[C@](O)(c1ccc(Br)cc1)[C@H](C[NH2+]CCCCO)c1ccccc1 ZINC000002907793 562930431 /nfs/dbraw/zinc/93/04/31/562930431.db2.gz VTQWHGAEPRCKIC-RPWUZVMVSA-N 1 0 448.445 5.219 50 0 IKAARO O=C(NCCC[NH+]1CCCCC1)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000003039983 562932119 /nfs/dbraw/zinc/93/21/19/562932119.db2.gz QGUQGKYKVBYCSM-UHFFFAOYSA-N 1 0 440.012 5.645 50 0 IKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000003182936 562932621 /nfs/dbraw/zinc/93/26/21/562932621.db2.gz ZLWQGNABQLEYHG-IGKIAQTJSA-N 1 0 448.570 5.296 50 0 IKAARO C[N@@H+]1CCCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3Cl)nc3ccccc32)CC1 ZINC000003242569 562933247 /nfs/dbraw/zinc/93/32/47/562933247.db2.gz WQZLWZHPTWQNRV-UHFFFAOYSA-N 1 0 448.781 5.640 50 0 IKAARO Cc1ccc2nc(-c3ccc(NC(=S)NC4CC(C)(C)[NH2+]C(C)(C)C4)cc3)sc2c1 ZINC000003365886 562934911 /nfs/dbraw/zinc/93/49/11/562934911.db2.gz ZMECXCUFCNSLRG-UHFFFAOYSA-N 1 0 438.666 5.867 50 0 IKAARO C[NH+](C)CC(C)(C)CN[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000003434592 562935789 /nfs/dbraw/zinc/93/57/89/562935789.db2.gz XMOHMCJLCJJPRG-IBGZPJMESA-N 1 0 441.925 5.216 50 0 IKAARO CCOc1ccccc1NC(=O)N[C@@H](CC)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000008590211 562951562 /nfs/dbraw/zinc/95/15/62/562951562.db2.gz TYDRVVYALGVBST-SFHVURJKSA-N 1 0 438.597 5.198 50 0 IKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000008597676 562954015 /nfs/dbraw/zinc/95/40/15/562954015.db2.gz VWIXYWVYVQFAJI-KRWDZBQOSA-N 1 0 437.971 5.393 50 0 IKAARO CC[N@H+](CCCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl)Cc1ccccc1 ZINC000008599178 562954634 /nfs/dbraw/zinc/95/46/34/562954634.db2.gz IGVRLFUUUOFTKW-UHFFFAOYSA-N 1 0 437.996 5.745 50 0 IKAARO COc1ccc([C@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)[NH+]2CCCCC2)cc1 ZINC000008613365 562959390 /nfs/dbraw/zinc/95/93/90/562959390.db2.gz SZFHTMOEHHIFTR-NRFANRHFSA-N 1 0 426.944 5.360 50 0 IKAARO COc1ccc([C@@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)[NH+]2CCCCC2)cc1 ZINC000008613368 562959408 /nfs/dbraw/zinc/95/94/08/562959408.db2.gz SZFHTMOEHHIFTR-OAQYLSRUSA-N 1 0 426.944 5.360 50 0 IKAARO Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717699 562963842 /nfs/dbraw/zinc/96/38/42/562963842.db2.gz RAQSTIMHJILCDJ-VWLOTQADSA-N 1 0 443.978 5.876 50 0 IKAARO O=C(Nc1ccccc1)N(Cc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000008831059 562964947 /nfs/dbraw/zinc/96/49/47/562964947.db2.gz POLLJKZPRRLSRM-UHFFFAOYSA-N 1 0 443.547 5.114 50 0 IKAARO C[NH+](C)CCCN(C(=O)c1nc2ccccc2s1)c1nc2c(cccc2Cl)s1 ZINC000009151920 562967849 /nfs/dbraw/zinc/96/78/49/562967849.db2.gz KVANYPYHULDZSG-UHFFFAOYSA-N 1 0 430.986 5.158 50 0 IKAARO CCOc1ccc2nc(N(CC[NH+](C)C)C(=O)c3cc4ccccc4cc3OC)sc2c1 ZINC000010461178 562978720 /nfs/dbraw/zinc/97/87/20/562978720.db2.gz QCHSXYPZOVJIMV-UHFFFAOYSA-N 1 0 449.576 5.065 50 0 IKAARO CN(C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cc2ccccc2o1 ZINC000012026942 562980437 /nfs/dbraw/zinc/98/04/37/562980437.db2.gz LAWLMWXCXTWFNM-IBGZPJMESA-N 1 0 444.497 5.478 50 0 IKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1OCc1ccccc1Cl ZINC000015940767 563019429 /nfs/dbraw/zinc/01/94/29/563019429.db2.gz XAKSZJOYEUDHOK-UHFFFAOYSA-N 1 0 434.967 5.313 50 0 IKAARO O=C(CCN1CC[N@@H+]2CCCC[C@@H]2C1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000019370551 563022754 /nfs/dbraw/zinc/02/27/54/563022754.db2.gz UDGRQZRWGPZOAJ-GOSISDBHSA-N 1 0 428.001 5.030 50 0 IKAARO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020451573 563024966 /nfs/dbraw/zinc/02/49/66/563024966.db2.gz WQBFWEBRSQQZLV-UHFFFAOYSA-N 1 0 428.511 5.220 50 0 IKAARO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 ZINC000096027486 563195117 /nfs/dbraw/zinc/19/51/17/563195117.db2.gz KMIJCLUUGVHXQZ-AREMUKBSSA-N 1 0 439.043 7.108 50 0 IKAARO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 ZINC000096027485 563195144 /nfs/dbraw/zinc/19/51/44/563195144.db2.gz KMIJCLUUGVHXQZ-SANMLTNESA-N 1 0 439.043 7.108 50 0 IKAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)c2cc(C3CC3)on2)C2CCCC2)CC1 ZINC000012301200 568612968 /nfs/dbraw/zinc/61/29/68/568612968.db2.gz OMCXWBRETKVWOY-UHFFFAOYSA-N 1 0 435.612 5.200 50 0 IKAARO C[N@H+](CCN1C(=O)c2ccccc2C1=O)[C@H]1c2ccccc2C=Cc2ccc(Cl)cc21 ZINC000000974408 568647663 /nfs/dbraw/zinc/64/76/63/568647663.db2.gz ZOLFQQCIFXIQCB-DEOSSOPVSA-N 1 0 428.919 5.141 50 0 IKAARO CCC[C@H](C)[NH2+][C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)c1ccccc1 ZINC000025388169 568655881 /nfs/dbraw/zinc/65/58/81/568655881.db2.gz CCDWAUMLYUPPOD-PNLZDCPESA-N 1 0 442.625 5.508 50 0 IKAARO CCN(Cc1ccccc1)N1c2ccccc2[C@@](CCC[NH+](C)C)(c2ccccc2)C1=O ZINC000002010175 568742367 /nfs/dbraw/zinc/74/23/67/568742367.db2.gz RBFWBYHQTHKRMN-MUUNZHRXSA-N 1 0 427.592 5.098 50 0 IKAARO O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000003399247 568748540 /nfs/dbraw/zinc/74/85/40/568748540.db2.gz FJCRUNVMCPHAKV-UHFFFAOYSA-N 1 0 425.985 5.626 50 0 IKAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(c2ccc(OC)cc2)CCO1 ZINC000004027796 568758917 /nfs/dbraw/zinc/75/89/17/568758917.db2.gz OCZJOJKHSMJOSE-FTJBHMTQSA-N 1 0 427.585 5.109 50 0 biogenic IKAARO C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CC[NH+]1CCCCC1 ZINC000004027649 568758995 /nfs/dbraw/zinc/75/89/95/568758995.db2.gz LDRSZLORBJFCJZ-OCICHSSJSA-N 1 0 427.629 5.306 50 0 biogenic IKAARO CCOc1ccc(C[NH2+]CC[C@]2(c3ccc(C)cc3)CCO[C@H](C(C)C)C2)cc1OC ZINC000004073143 568760430 /nfs/dbraw/zinc/76/04/30/568760430.db2.gz CJHMCYLLXMOHLY-SVBPBHIXSA-N 1 0 425.613 5.655 50 0 biogenic IKAARO CCc1cc([C@H](c2ccccc2OC)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000001235999 568762355 /nfs/dbraw/zinc/76/23/55/568762355.db2.gz MOYHVGLQPRVQOM-DEOSSOPVSA-N 1 0 434.605 6.147 50 0 IKAARO CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CC[NH+]5CCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012660709 568774330 /nfs/dbraw/zinc/77/43/30/568774330.db2.gz LCHQKKCWNVVBHJ-DTAHTLNWSA-N 1 0 441.656 5.552 50 0 biogenic IKAARO COc1cc([C@@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc(OC)c1OC ZINC000001317840 568779480 /nfs/dbraw/zinc/77/94/80/568779480.db2.gz YJPJKPJLMJPSCZ-VWLOTQADSA-N 1 0 444.531 5.008 50 0 biogenic IKAARO COc1ccc([C@H](CNC(=O)c2ccc(C3SCCS3)cc2)[NH+]2CCCCC2)cc1 ZINC000015478285 568787187 /nfs/dbraw/zinc/78/71/87/568787187.db2.gz AJOKOSYBGSHVAG-QFIPXVFZSA-N 1 0 442.650 5.131 50 0 IKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000015678367 568804723 /nfs/dbraw/zinc/80/47/23/568804723.db2.gz YNWKXNCFPZKBBO-DEOSSOPVSA-N 1 0 449.614 5.532 50 0 IKAARO CC[NH+]1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000015679777 568805616 /nfs/dbraw/zinc/80/56/16/568805616.db2.gz JVRRPVYKTLIKKH-UHFFFAOYSA-N 1 0 435.490 5.232 50 0 IKAARO CC1CC[NH+](Cc2ccc(NC(=O)c3cnn(-c4ccccc4)c3-n3cccc3)cc2)CC1 ZINC000015681232 568806442 /nfs/dbraw/zinc/80/64/42/568806442.db2.gz DPIYPIZQBQODEG-UHFFFAOYSA-N 1 0 439.563 5.147 50 0 IKAARO CC[NH+](CC)CCNC(=O)c1ccc(-c2nc(CSc3ccc(C)cc3)c(C)o2)cc1 ZINC000015682172 568807141 /nfs/dbraw/zinc/80/71/41/568807141.db2.gz PJRGCWUDPRHSKU-UHFFFAOYSA-N 1 0 437.609 5.322 50 0 IKAARO COc1cccc(C[N@H+](C[C@H](O)COc2ccccc2C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000006051579 568819865 /nfs/dbraw/zinc/81/98/65/568819865.db2.gz DTGUXZWHHOWIRO-IPOSCIHWSA-N 1 0 435.608 5.214 50 0 IKAARO Cc1ccc(Nc2nc(C(=O)NCC[NH+]3CCCCCC3)cc3occc32)cc1Cl ZINC000085651208 568831869 /nfs/dbraw/zinc/83/18/69/568831869.db2.gz MPUIKLVHZZGVNA-UHFFFAOYSA-N 1 0 426.948 5.139 50 0 IKAARO Cc1nn(-c2ccccc2)c2sc(C(=O)NCC[N@H+](Cc3ccccc3)C(C)C)cc12 ZINC000015821599 568839892 /nfs/dbraw/zinc/83/98/92/568839892.db2.gz NJGOVRJSBFEBMN-UHFFFAOYSA-N 1 0 432.593 5.036 50 0 IKAARO O=C(Nc1c2ccccc2oc1[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1ccco1 ZINC000015859315 568847125 /nfs/dbraw/zinc/84/71/25/568847125.db2.gz KREWCCDZEJDJID-HSZRJFAPSA-N 1 0 434.923 6.507 50 0 IKAARO COc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)cc1 ZINC000015859307 568847157 /nfs/dbraw/zinc/84/71/57/568847157.db2.gz VICURVRTNFROQU-RUZDIDTESA-N 1 0 444.531 6.108 50 0 IKAARO CC1CC[NH+]([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2cccc(F)c2)CC1 ZINC000015859410 568847549 /nfs/dbraw/zinc/84/75/49/568847549.db2.gz MAYHFVHRLGIETI-XMMPIXPASA-N 1 0 448.563 6.707 50 0 IKAARO O=C(Nc1c2ccccc2oc1[C@@H](c1cccc(F)c1)[NH+]1CCCCC1)c1cccs1 ZINC000015859405 568847553 /nfs/dbraw/zinc/84/75/53/568847553.db2.gz YNKRKLRSCKFYSX-HSZRJFAPSA-N 1 0 434.536 6.461 50 0 IKAARO O=C(Nc1c2ccccc2oc1[C@H](c1ccc(F)cc1)[NH+]1CCCCC1)c1ccccc1 ZINC000015859512 568847657 /nfs/dbraw/zinc/84/76/57/568847657.db2.gz YKXGOHUIJRYSQX-VWLOTQADSA-N 1 0 428.507 6.400 50 0 IKAARO CC1CC[NH+]([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2cccc(F)c2)CC1 ZINC000015859409 568847667 /nfs/dbraw/zinc/84/76/67/568847667.db2.gz MAYHFVHRLGIETI-DEOSSOPVSA-N 1 0 448.563 6.707 50 0 IKAARO Clc1ccc(-c2nnc([C@H](c3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)o2)cc1 ZINC000015864523 568850134 /nfs/dbraw/zinc/85/01/34/568850134.db2.gz BUTFMXJZJAQQQP-VWLOTQADSA-N 1 0 443.978 6.434 50 0 IKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3ccccc3C)oc1C)[C@H]2c1ccccc1 ZINC000015864862 568850275 /nfs/dbraw/zinc/85/02/75/568850275.db2.gz RSKCCVXMDUHQSA-SANMLTNESA-N 1 0 442.628 7.038 50 0 IKAARO Cc1cc(C)c(-n2nnnc2[C@H]([NH2+]CCc2c[nH]c3ccccc23)[C@H]2CC=CCC2)c(C)c1 ZINC000575443629 568869625 /nfs/dbraw/zinc/86/96/25/568869625.db2.gz FCBYSFGHHOOPAD-SQJMNOBHSA-N 1 0 440.595 5.299 50 0 IKAARO COc1ccc(Cl)c2c(=O)c(C[NH+](Cc3ccccc3)Cc3ccccc3)c(C)[nH]c12 ZINC000001788667 568907755 /nfs/dbraw/zinc/90/77/55/568907755.db2.gz QWQZFJDXULKAFO-UHFFFAOYSA-N 1 0 432.951 6.113 50 0 IKAARO CC[NH+](CC)CCOC(=O)c1ccc(Nc2nc(-c3ccccc3)nc3ccccc32)cc1 ZINC000001809202 568909238 /nfs/dbraw/zinc/90/92/38/568909238.db2.gz BHCIKPVJBGZPSX-UHFFFAOYSA-N 1 0 440.547 5.539 50 0 IKAARO COc1ccccc1[C@@H](CC[NH2+][C@H](C)c1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 ZINC000001832515 568916167 /nfs/dbraw/zinc/91/61/67/568916167.db2.gz RXWYWURDIQKPTK-NLFFAJNJSA-N 1 0 438.011 7.009 50 0 biogenic IKAARO CCc1cc([C@H](c2ccc(C(C)C)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000001893198 568917759 /nfs/dbraw/zinc/91/77/59/568917759.db2.gz PDGHFPSHTKIHAI-SANMLTNESA-N 1 0 446.660 7.262 50 0 IKAARO O=C(NCCC[NH+]1CCCC1)c1sc2c(cnc3ccc(F)cc23)c1-c1ccccc1 ZINC000064588558 568934635 /nfs/dbraw/zinc/93/46/35/568934635.db2.gz UFIQETVSCHYYKA-UHFFFAOYSA-N 1 0 433.552 5.471 50 0 IKAARO O=C(NCC[NH+]1CCCC1)c1sc2c(cnc3ccccc23)c1-c1ccc(Cl)cc1 ZINC000064588551 568934661 /nfs/dbraw/zinc/93/46/61/568934661.db2.gz GXMODBVGXXFBTI-UHFFFAOYSA-N 1 0 435.980 5.596 50 0 IKAARO COc1ccc(OCc2ccc(C(=O)Nc3ccc(C[NH+]4CCC(C)CC4)cc3)o2)cc1 ZINC000064658731 568942018 /nfs/dbraw/zinc/94/20/18/568942018.db2.gz DNIUHBWVSDSMNS-UHFFFAOYSA-N 1 0 434.536 5.351 50 0 IKAARO O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)N1CC[NH+](C2CCCCC2)CC1 ZINC000064657619 568942303 /nfs/dbraw/zinc/94/23/03/568942303.db2.gz XZUQZAJGMMTRGF-UHFFFAOYSA-N 1 0 442.028 5.500 50 0 IKAARO CC(C)C[N@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccccc1F ZINC000036167889 568968555 /nfs/dbraw/zinc/96/85/55/568968555.db2.gz YMXXTFVORFBUPE-UHFFFAOYSA-N 1 0 443.562 6.361 50 0 IKAARO Cc1ccc(C)c(NC(=O)[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)c1 ZINC000006787970 568985988 /nfs/dbraw/zinc/98/59/88/568985988.db2.gz ZMDKOQZOTYNUEF-MHZLTWQESA-N 1 0 427.592 5.237 50 0 IKAARO Cc1ccc(F)c(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c3cccc(F)c3)C2)c1 ZINC000169679928 568990535 /nfs/dbraw/zinc/99/05/35/568990535.db2.gz BFMPFGNAXIQXGE-UKILVPOCSA-N 1 0 442.594 5.629 50 0 IKAARO Cc1cc(C[N@H+]2C[C@@H](CN(C(=O)c3ccccc3)C(C)C)[C@@H](c3ccccc3C)C2)oc1C ZINC000169677941 568990557 /nfs/dbraw/zinc/99/05/57/568990557.db2.gz TXZOYSCXCOPWJM-LSYYVWMOSA-N 1 0 444.619 5.971 50 0 IKAARO Cc1ccsc1C[N@H+]1C[C@@H](CN(C(=O)c2ccccc2)C(C)C)[C@@H](c2ccc(C)cc2)C1 ZINC000169681696 568992579 /nfs/dbraw/zinc/99/25/79/568992579.db2.gz BWNFSHOBSPVFIE-IZZNHLLZSA-N 1 0 446.660 6.131 50 0 IKAARO CCC[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C[C@@H](C)O ZINC000036301670 568993152 /nfs/dbraw/zinc/99/31/52/568993152.db2.gz LAYLNUJEASYTKY-QGZVFWFLSA-N 1 0 443.975 5.228 50 0 IKAARO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036301825 568993939 /nfs/dbraw/zinc/99/39/39/568993939.db2.gz SNQPJPYBKFPKEF-JOCHJYFZSA-N 1 0 439.987 5.609 50 0 IKAARO CCC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036303900 568994306 /nfs/dbraw/zinc/99/43/06/568994306.db2.gz HYDAXISBYPZFBV-QFIPXVFZSA-N 1 0 437.584 5.355 50 0 IKAARO CCC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036304167 568994318 /nfs/dbraw/zinc/99/43/18/568994318.db2.gz XWCNFIUOXHTVNS-OAQYLSRUSA-N 1 0 443.538 5.624 50 0 IKAARO CCC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036304165 568994331 /nfs/dbraw/zinc/99/43/31/568994331.db2.gz XWCNFIUOXHTVNS-NRFANRHFSA-N 1 0 443.538 5.624 50 0 IKAARO CC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C1CC1 ZINC000036304996 568994727 /nfs/dbraw/zinc/99/47/27/568994727.db2.gz KOAUZMZLSVZFIS-LJQANCHMSA-N 1 0 425.960 5.268 50 0 IKAARO CC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305221 568994902 /nfs/dbraw/zinc/99/49/02/568994902.db2.gz LOJBANWOJCUDGX-NRFANRHFSA-N 1 0 439.987 5.516 50 0 IKAARO CC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305040 568994945 /nfs/dbraw/zinc/99/49/45/568994945.db2.gz DWQWFVGXAHDWLE-FQEVSTJZSA-N 1 0 439.987 5.516 50 0 IKAARO C[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305051 568995038 /nfs/dbraw/zinc/99/50/38/568995038.db2.gz PTQLWNUSDOPKFN-KRWDZBQOSA-N 1 0 425.960 5.126 50 0 IKAARO CC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000036306159 568995429 /nfs/dbraw/zinc/99/54/29/568995429.db2.gz KBCMZDMWWUAEON-TZIWHRDSSA-N 1 0 437.584 5.259 50 0 IKAARO CC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036305956 568995440 /nfs/dbraw/zinc/99/54/40/568995440.db2.gz MWAIDVJGAHOOSZ-OAQYLSRUSA-N 1 0 437.584 5.117 50 0 IKAARO CCCC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C1CC1 ZINC000036313787 568998730 /nfs/dbraw/zinc/99/87/30/568998730.db2.gz CWQGVAWOBYPNHL-QFIPXVFZSA-N 1 0 449.595 5.404 50 0 IKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@@H+](C[C@@H](C)O)[C@@H](C)CC ZINC000036316394 568999847 /nfs/dbraw/zinc/99/98/47/568999847.db2.gz FMQIQCHCXLBRLV-VQTJNVASSA-N 1 0 437.584 5.217 50 0 IKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)CC ZINC000036316427 568999888 /nfs/dbraw/zinc/99/98/88/568999888.db2.gz NTJMFUNPHZGUON-NRFANRHFSA-N 1 0 437.584 5.219 50 0 IKAARO CCCCCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCCCCC1)c1ccccc1 ZINC000006811638 569000580 /nfs/dbraw/zinc/00/05/80/569000580.db2.gz CQLDWKCIBVFSBB-URLMMPGGSA-N 1 0 437.668 6.903 50 0 IKAARO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000036321640 569000675 /nfs/dbraw/zinc/00/06/75/569000675.db2.gz YVMWNDCPJMVOFO-PMACEKPBSA-N 1 0 448.636 5.493 50 0 IKAARO CCCCCC[C@@](O)(c1ccc(OCCC)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006811614 569000724 /nfs/dbraw/zinc/00/07/24/569000724.db2.gz NPGUUMYBJCYQIB-URLMMPGGSA-N 1 0 437.668 6.903 50 0 IKAARO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC(C)C ZINC000036342027 569079597 /nfs/dbraw/zinc/07/95/97/569079597.db2.gz QYUPAUDVHFIHRO-JOCHJYFZSA-N 1 0 425.548 5.341 50 0 IKAARO CCCC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036345904 569080851 /nfs/dbraw/zinc/08/08/51/569080851.db2.gz GBITZRMOUBKLEX-XMMPIXPASA-N 1 0 435.612 6.045 50 0 IKAARO COc1ccc(-n2nc(C(C)C)c(C[N@H+](C[C@@H](C)O)C(C)C)c2Oc2ccccc2)cc1 ZINC000036346471 569081004 /nfs/dbraw/zinc/08/10/04/569081004.db2.gz YDOZPSQVGXRCJL-HXUWFJFHSA-N 1 0 437.584 5.388 50 0 IKAARO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346283 569081131 /nfs/dbraw/zinc/08/11/31/569081131.db2.gz ZQGKRMBBWKNPNY-QHCPKHFHSA-N 1 0 439.575 5.874 50 0 IKAARO COc1ccc(-n2nc(C(C)C)c(C[N@H+](C[C@H](C)O)C(C)C)c2Oc2ccccc2)cc1 ZINC000036346472 569081214 /nfs/dbraw/zinc/08/12/14/569081214.db2.gz YDOZPSQVGXRCJL-FQEVSTJZSA-N 1 0 437.584 5.388 50 0 IKAARO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346224 569081229 /nfs/dbraw/zinc/08/12/29/569081229.db2.gz YAQXCEJGLGXAAC-JOCHJYFZSA-N 1 0 425.548 5.341 50 0 IKAARO CCCC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036346526 569081463 /nfs/dbraw/zinc/08/14/63/569081463.db2.gz UQHGIWDOHWROTQ-XMMPIXPASA-N 1 0 449.639 6.297 50 0 IKAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2nc(-c3oc4ccccc4c3C)no2)o1 ZINC000065009956 569088085 /nfs/dbraw/zinc/08/80/85/569088085.db2.gz JEBZEFNTPUTCRQ-QGZVFWFLSA-N 1 0 448.523 5.079 50 0 IKAARO CCn1c(C)c(C[NH+]2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)c2ccccc21 ZINC000065060125 569095770 /nfs/dbraw/zinc/09/57/70/569095770.db2.gz OLBSGHZRMBCLHK-NRFANRHFSA-N 1 0 431.624 5.319 50 0 IKAARO CCn1cc(C[NH+]2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)c2cc(OC)ccc21 ZINC000065060012 569095807 /nfs/dbraw/zinc/09/58/07/569095807.db2.gz HCXHSWWGXLZSKW-AREMUKBSSA-N 1 0 445.607 5.076 50 0 IKAARO CCn1c(C)c(C[NH+]2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)c2ccccc21 ZINC000065060133 569095882 /nfs/dbraw/zinc/09/58/82/569095882.db2.gz GNAJQPSCCIIMOM-SANMLTNESA-N 1 0 429.608 5.375 50 0 IKAARO CC1CC[NH+]([C@@H](CNC(=O)Cc2csc(-c3ccsc3)n2)c2cccs2)CC1 ZINC000036395311 569098730 /nfs/dbraw/zinc/09/87/30/569098730.db2.gz SQDHASJEKBGIJK-SFHVURJKSA-N 1 0 431.652 5.065 50 0 IKAARO COc1ccc2cc3cc(C(=O)NCC[N@H+](C)C4CCCCC4)sc3nc2c1Cl ZINC000065330818 569137094 /nfs/dbraw/zinc/13/70/94/569137094.db2.gz KFQVKHRNUNGENR-UHFFFAOYSA-N 1 0 431.989 5.106 50 0 IKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cc4cc5ccc(C)cc5nc4o3)CC2)cc1 ZINC000065331025 569137212 /nfs/dbraw/zinc/13/72/12/569137212.db2.gz PFMAEMXPWFHAHE-UHFFFAOYSA-N 1 0 427.548 5.240 50 0 IKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(OC)cc3)c3ccc(C)cc3)CC2)cc1 ZINC000037280030 569145728 /nfs/dbraw/zinc/14/57/28/569145728.db2.gz FYHCMEXONQUISQ-UHFFFAOYSA-N 1 0 444.575 5.324 50 0 IKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3cccs3)c2-c2nc3ccccc3s2)C1 ZINC000016837199 569162675 /nfs/dbraw/zinc/16/26/75/569162675.db2.gz RPGYVTHNESFYPW-UHFFFAOYSA-N 1 0 439.631 6.105 50 0 IKAARO FC(F)(F)c1cccc(N2CCN(C3CC[NH+](Cc4cc5ccccc5o4)CC3)CC2)c1 ZINC000252500283 569188121 /nfs/dbraw/zinc/18/81/21/569188121.db2.gz SREAPHYCRFCLIP-UHFFFAOYSA-N 1 0 443.513 5.238 50 0 IKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](CCc1ccccc1)c1cn(C)c2ccccc12 ZINC000037380852 569191898 /nfs/dbraw/zinc/19/18/98/569191898.db2.gz LCHFTYJLBAXNGF-NOZRDPDXSA-N 1 0 447.667 5.912 50 0 IKAARO CC[C@@H](C)c1ccc([C@H]([NH2+]CC(=O)Nc2cc(NC(C)=O)ccc2OC)C(C)C)cc1 ZINC000007719301 569197747 /nfs/dbraw/zinc/19/77/47/569197747.db2.gz UFILVDRYUJMLGM-CRICUBBOSA-N 1 0 425.573 5.093 50 0 IKAARO CC[C@@H](C)c1ccc([C@@H]([NH2+]CC(=O)Nc2cc(NC(C)=O)ccc2OC)C(C)C)cc1 ZINC000007719306 569197818 /nfs/dbraw/zinc/19/78/18/569197818.db2.gz UFILVDRYUJMLGM-NSYGIPOTSA-N 1 0 425.573 5.093 50 0 IKAARO COc1cccc([C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000037523690 569198731 /nfs/dbraw/zinc/19/87/31/569198731.db2.gz JSCJBEFSQAEKEV-BDYUSTAISA-N 1 0 436.640 5.360 50 0 IKAARO Cc1ccc(C(=O)N(C)C2CCCCC2)c(C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000037554372 569200369 /nfs/dbraw/zinc/20/03/69/569200369.db2.gz NMUUVZBRZIQBFK-UHFFFAOYSA-N 1 0 447.667 6.298 50 0 IKAARO COc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000037559555 569200889 /nfs/dbraw/zinc/20/08/89/569200889.db2.gz FNNRBDYRQRCEJQ-UHFFFAOYSA-N 1 0 436.502 5.285 50 0 IKAARO COc1ccc(C(=O)N(c2ccc(OC)cc2)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000037559623 569200923 /nfs/dbraw/zinc/20/09/23/569200923.db2.gz UWWZDEFXUWUJFC-UHFFFAOYSA-N 1 0 448.538 5.154 50 0 IKAARO Cc1ccc(N(C2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000037560607 569201067 /nfs/dbraw/zinc/20/10/67/569201067.db2.gz XBLDVVXNGKPSLU-UHFFFAOYSA-N 1 0 434.605 5.163 50 0 IKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3cccc(C)c3)c3ccc(F)cc3)CC2)c1 ZINC000037560765 569201072 /nfs/dbraw/zinc/20/10/72/569201072.db2.gz UVEHXSKEUIGAQV-UHFFFAOYSA-N 1 0 432.539 5.454 50 0 IKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(OC)cc3)c3ccccc3)CC2)cc1 ZINC000037560296 569201111 /nfs/dbraw/zinc/20/11/11/569201111.db2.gz UNBYPRPODOXCLR-UHFFFAOYSA-N 1 0 430.548 5.015 50 0 IKAARO Cc1ccc(N(C2CC[NH+](Cc3cccc(C)c3)CC2)S(=O)(=O)c2ccccc2C)cc1 ZINC000037570683 569201238 /nfs/dbraw/zinc/20/12/38/569201238.db2.gz DUSNVQYPAQWXTN-UHFFFAOYSA-N 1 0 448.632 5.472 50 0 IKAARO Cc1[nH+]c(NCc2ccccn2)nc(N)c1/C=C\C(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000195759164 569205537 /nfs/dbraw/zinc/20/55/37/569205537.db2.gz DIEPDKOVWALKHY-QXMHVHEDSA-N 1 0 427.474 5.384 50 0 IKAARO O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000196307824 569207867 /nfs/dbraw/zinc/20/78/67/569207867.db2.gz BIJWIKWIRLDHCU-UHFFFAOYSA-N 1 0 449.392 5.039 50 0 IKAARO C[C@@H]1CC[C@@]2(C)[C@H]3C[C@H]4[C@@H](CC[C@@H]5[C@@H]4C[N@@H+]4C[C@H](C)CC[C@@H]4[C@]5(C)O)[C@H]3CC(=O)[C@H]2C1 ZINC000252640278 569208603 /nfs/dbraw/zinc/20/86/03/569208603.db2.gz YSOKTNCRCPDOCA-BGRULFNMSA-N 1 0 427.673 5.162 50 0 IKAARO CCCCc1nc2sc3c(ncnc3NCC[NH+](CC)CC)c2c2c1COC(C)(C)C2 ZINC000002275765 569217876 /nfs/dbraw/zinc/21/78/76/569217876.db2.gz MOWQREIDRMXYDK-UHFFFAOYSA-N 1 0 441.645 5.187 50 0 IKAARO CCc1ccc([C@H](CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)[NH+]2CCCC2)cc1 ZINC000238881502 569268588 /nfs/dbraw/zinc/26/85/88/569268588.db2.gz AFWAKGXUEAGBPV-SANMLTNESA-N 1 0 434.605 5.031 50 0 IKAARO COc1cccc([C@H]2C[N@H+](Cc3sccc3C)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000253388929 569272352 /nfs/dbraw/zinc/27/23/52/569272352.db2.gz REBILFASLJNVIA-LADGPHEKSA-N 1 0 442.669 5.421 50 0 IKAARO CCCCCOc1ccccc1NC(=O)O[C@H]1[C@H]2CC[C@@H]([C@H]1C[NH+](CC)CC)C(C)(C)C2 ZINC000254444030 569273819 /nfs/dbraw/zinc/27/38/19/569273819.db2.gz FFYFIZPYPAOCAI-MTQWNXOMSA-N 1 0 444.660 6.587 50 0 IKAARO COc1ccc2cc(C[NH2+]Cc3ccccc3Cl)c(-c3ccc(OC)c(OC)c3)nc2c1 ZINC000299767785 569283666 /nfs/dbraw/zinc/28/36/66/569283666.db2.gz KEWRTYSJFBOFOU-UHFFFAOYSA-N 1 0 448.950 5.871 50 0 IKAARO CC1=C(CC[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3C)CC2)C(C)(C)CCC1 ZINC000299769739 569283692 /nfs/dbraw/zinc/28/36/92/569283692.db2.gz RPYKQYZNUQTSIR-HXUWFJFHSA-N 1 0 432.678 5.182 50 0 IKAARO Cc1cccc(-c2nc3c(C)cccc3cc2CN(CC[NH+](C)C)C(=O)c2ccoc2)c1 ZINC000299790888 569283715 /nfs/dbraw/zinc/28/37/15/569283715.db2.gz BWFACCQMQPNJKC-UHFFFAOYSA-N 1 0 427.548 5.316 50 0 IKAARO CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CCC4)c(SCC[NH+](C)C)n1 ZINC000002413333 569301142 /nfs/dbraw/zinc/30/11/42/569301142.db2.gz DKKYLVUYWUKZOY-UHFFFAOYSA-N 1 0 432.684 5.302 50 0 IKAARO CCCSc1nc2sc3c(c2c(NCCC[NH+](CC)CC)n1)C[C@](C)(CC)OC3 ZINC000002419054 569301721 /nfs/dbraw/zinc/30/17/21/569301721.db2.gz REESQEDXJDWUTB-QFIPXVFZSA-N 1 0 436.691 5.579 50 0 IKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369079 569314740 /nfs/dbraw/zinc/31/47/40/569314740.db2.gz PIWLFKBUABAZQF-NRFANRHFSA-N 1 0 439.003 5.128 50 0 IKAARO C[C@H](C(=O)NCCC[NH+]1CCCCCC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369272 569314879 /nfs/dbraw/zinc/31/48/79/569314879.db2.gz MMUMCLMZJBLBBM-LJQANCHMSA-N 1 0 439.003 5.300 50 0 IKAARO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@H]2CCCC[C@H]12 ZINC000078725993 569318703 /nfs/dbraw/zinc/31/87/03/569318703.db2.gz XLGCRVRNEPZDCK-KHDMTIDOSA-N 1 0 445.007 5.074 50 0 IKAARO CCOc1cccc(C[NH2+]CCCCc2nc(-c3cccnc3)cs2)c1OC(F)F ZINC000078869810 569319552 /nfs/dbraw/zinc/31/95/52/569319552.db2.gz XSJFDATYXQTCMU-UHFFFAOYSA-N 1 0 433.524 5.318 50 0 IKAARO O=C(Nc1cccc(C[NH2+]CCc2nc(-c3ccncc3)cs2)c1)c1ccccc1Cl ZINC000078869803 569319625 /nfs/dbraw/zinc/31/96/25/569319625.db2.gz QBLQFKIPMDRJBQ-UHFFFAOYSA-N 1 0 448.979 5.443 50 0 IKAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccc(C(C)C)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019902790 569331925 /nfs/dbraw/zinc/33/19/25/569331925.db2.gz GVJXWYUHTSFSGP-GDLZYMKVSA-N 1 0 441.594 6.650 50 0 IKAARO CCCC[N@H+](C)CCCN(Cc1cccs1)C(=S)Nc1ccc(OC)c(Cl)c1 ZINC000020107869 569334420 /nfs/dbraw/zinc/33/44/20/569334420.db2.gz QXDXRARZNSESPB-UHFFFAOYSA-N 1 0 440.078 5.731 50 0 IKAARO Cc1ccc(Cl)cc1N1CC[NH+](Cc2ccccc2-c2nnc(-c3ccccc3)o2)CC1 ZINC000020178193 569354704 /nfs/dbraw/zinc/35/47/04/569354704.db2.gz XASLBCDAHQNMPF-UHFFFAOYSA-N 1 0 444.966 5.688 50 0 IKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000020240717 569357786 /nfs/dbraw/zinc/35/77/86/569357786.db2.gz XGCUDZGUUBXPLR-KRWDZBQOSA-N 1 0 437.971 5.393 50 0 IKAARO OC(C[NH2+]Cc1ccc(Cl)cc1Cl)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365346 569362028 /nfs/dbraw/zinc/36/20/28/569362028.db2.gz GEMFEHGELLSSBX-UHFFFAOYSA-N 1 0 441.185 6.326 50 0 IKAARO CCc1ccc2oc(=O)cc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020412495 569364158 /nfs/dbraw/zinc/36/41/58/569364158.db2.gz CDLNSIKQHKREPV-UHFFFAOYSA-N 1 0 438.571 5.263 50 0 IKAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)C1 ZINC000020436399 569365402 /nfs/dbraw/zinc/36/54/02/569365402.db2.gz OFLULEUWPLMYHX-GJZGRUSLSA-N 1 0 435.058 5.772 50 0 IKAARO C[N@H+](CCc1cccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1)C1CC1 ZINC000095460073 569369537 /nfs/dbraw/zinc/36/95/37/569369537.db2.gz MRSFPHPAAQUCCI-UHFFFAOYSA-N 1 0 428.536 5.220 50 0 IKAARO CCc1nc([C@H](C)NC(=O)Nc2ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc2)cs1 ZINC000095460785 569369716 /nfs/dbraw/zinc/36/97/16/569369716.db2.gz IYDKMQODXPBXBZ-RXVVDRJESA-N 1 0 444.645 5.368 50 0 IKAARO Cc1ncc(C[NH2+]CCc2ccccc2)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095475627 569372714 /nfs/dbraw/zinc/37/27/14/569372714.db2.gz WLZMKQOJPHVUBR-UHFFFAOYSA-N 1 0 449.348 5.462 50 0 IKAARO CC(=O)O[C@@H](c1cccc(N(Cc2ccccc2)C(C)=O)c1)C(C)(C)[NH2+]Cc1ccccc1 ZINC000096028147 569380925 /nfs/dbraw/zinc/38/09/25/569380925.db2.gz YVDGMXCQDZVZHT-MHZLTWQESA-N 1 0 444.575 5.412 50 0 IKAARO Cc1ncc(C[NH2+]Cc2ccco2)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116445 569383764 /nfs/dbraw/zinc/38/37/64/569383764.db2.gz YLZUVSHHXNCFTP-UHFFFAOYSA-N 1 0 426.472 5.281 50 0 biogenic IKAARO Cc1ccc(C)c([C@@H](c2ccccc2)[NH+]2CCN(C(=O)CCCc3ccccc3)CC2)c1 ZINC000096183799 569386090 /nfs/dbraw/zinc/38/60/90/569386090.db2.gz QJMCHZJWVNEAAO-GDLZYMKVSA-N 1 0 426.604 5.560 50 0 IKAARO O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1cccc(Cl)c1)NCC[NH+]1CCCC1 ZINC000096276370 569388530 /nfs/dbraw/zinc/38/85/30/569388530.db2.gz KOJCWXFRNDIOLD-IBGZPJMESA-N 1 0 430.379 5.209 50 0 IKAARO O=C(c1ccco1)N1C[C@@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2ccc(F)cc2)C1 ZINC000096281428 569389930 /nfs/dbraw/zinc/38/99/30/569389930.db2.gz WYTYEZNPNOAXHC-AOYPEHQESA-N 1 0 446.566 5.229 50 0 IKAARO O=C(C1CCCC1)N1C[C@@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2ccc(F)cc2)C1 ZINC000096281432 569389936 /nfs/dbraw/zinc/38/99/36/569389936.db2.gz OQEYBTZNBUPKQB-IXCJQBJRSA-N 1 0 448.626 5.513 50 0 IKAARO CCCOc1ccc2[nH]c(C)c(C[NH+](Cc3ccccc3)Cc3ccccc3)c(=O)c2c1 ZINC000096300406 569391997 /nfs/dbraw/zinc/39/19/97/569391997.db2.gz BZUNPVFGWHXKKX-UHFFFAOYSA-N 1 0 426.560 5.828 50 0 IKAARO CCOc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000002546385 569408908 /nfs/dbraw/zinc/40/89/08/569408908.db2.gz MGXBJVWFWFDPMC-XMMPIXPASA-N 1 0 434.605 6.201 50 0 IKAARO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2)c1C ZINC000057270657 569430252 /nfs/dbraw/zinc/43/02/52/569430252.db2.gz LGOMQQJSAOGDOM-PGRDOPGGSA-N 1 0 427.548 5.308 50 0 IKAARO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)c1C ZINC000057270655 569430333 /nfs/dbraw/zinc/43/03/33/569430333.db2.gz LGOMQQJSAOGDOM-AVRDEDQJSA-N 1 0 427.548 5.308 50 0 IKAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000057315441 569430959 /nfs/dbraw/zinc/43/09/59/569430959.db2.gz KBRPTYTZAYLFQF-OAHLLOKOSA-N 1 0 425.891 5.021 50 0 IKAARO c1sc2ncnc(N3CC[NH+](Cc4cccc5cccnc54)CC3)c2c1-c1ccccc1 ZINC000057378885 569432661 /nfs/dbraw/zinc/43/26/61/569432661.db2.gz JFFZDMNLVKXSEB-UHFFFAOYSA-N 1 0 437.572 5.229 50 0 IKAARO CCn1cc(CN(CCC[NH+](CC)CC)C(=S)Nc2ccccc2C)c2ccccc21 ZINC000003029358 569436694 /nfs/dbraw/zinc/43/66/94/569436694.db2.gz YYYOHTKBDLWJKK-UHFFFAOYSA-N 1 0 436.669 5.901 50 0 IKAARO CCCC[N@H+](C)CCCNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000003039990 569438018 /nfs/dbraw/zinc/43/80/18/569438018.db2.gz PCGHNMAPJUYOFJ-UHFFFAOYSA-N 1 0 442.028 5.891 50 0 IKAARO CC[NH+](CC)C[C@@H](C)CNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000003039977 569438046 /nfs/dbraw/zinc/43/80/46/569438046.db2.gz DRNFTHOQALZFAX-KRWDZBQOSA-N 1 0 442.028 5.747 50 0 IKAARO O=C(NCc1ccc[n+](Cc2ccccc2)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000003187170 569441403 /nfs/dbraw/zinc/44/14/03/569441403.db2.gz PKXYVMPDGXFCCP-UHFFFAOYSA-O 1 0 447.480 5.638 50 0 IKAARO O[C@H](COC(c1ccccc1)c1ccccc1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000003205142 569441652 /nfs/dbraw/zinc/44/16/52/569441652.db2.gz IFSRSCJPSYQGHS-LJAQVGFWSA-N 1 0 437.583 5.856 50 0 IKAARO CCOC(=O)c1c(-c2cccs2)csc1NC(=O)C[NH2+]Cc1cccc(Cl)c1 ZINC000057911223 569442853 /nfs/dbraw/zinc/44/28/53/569442853.db2.gz XKTQDTFPYPNORU-UHFFFAOYSA-N 1 0 434.970 5.035 50 0 IKAARO C[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc21)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003265096 569443332 /nfs/dbraw/zinc/44/33/32/569443332.db2.gz GXFLAVSLENXMFS-BVZFJXPGSA-N 1 0 442.588 5.314 50 0 IKAARO CC[C@@H]1CSc2n1cc(-c1ccc(OC(F)F)cc1)[n+]2-c1ccc(Cl)c(Cl)c1 ZINC000003298622 569444922 /nfs/dbraw/zinc/44/49/22/569444922.db2.gz JUSVIXPLXUCNOC-CYBMUJFWSA-N 1 0 442.338 6.397 50 0 IKAARO COc1cccc([C@H]2C[NH2+]C3(CCC(C(C)(C)C)CC3)c3[nH]c4ccccc4c32)c1OC ZINC000003359473 569447792 /nfs/dbraw/zinc/44/77/92/569447792.db2.gz GFZIDMKWFLSCCF-YCWBAGHPSA-N 1 0 432.608 6.352 50 0 IKAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000058160830 569449262 /nfs/dbraw/zinc/44/92/62/569449262.db2.gz SKVOWOZHDCFSEZ-VGOFRKELSA-N 1 0 448.588 5.586 50 0 IKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000003423377 569450499 /nfs/dbraw/zinc/45/04/99/569450499.db2.gz JPBARRFKTIHKHJ-UHFFFAOYSA-N 1 0 432.520 5.230 50 0 IKAARO CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000003614314 569455038 /nfs/dbraw/zinc/45/50/38/569455038.db2.gz DDIRDYVOSKNKOF-MUUNZHRXSA-N 1 0 426.604 6.445 50 0 IKAARO Cc1ccc(Cl)cc1NC(=S)N(CCC[NH+]1CCC(C)CC1)Cc1cccs1 ZINC000003662282 569455964 /nfs/dbraw/zinc/45/59/64/569455964.db2.gz IDDKRAIJCAHCKI-UHFFFAOYSA-N 1 0 436.090 6.031 50 0 IKAARO COc1ccc(NC(=S)N(CCC[NH+]2CCCCC2)Cc2cccs2)cc1Cl ZINC000003665626 569455988 /nfs/dbraw/zinc/45/59/88/569455988.db2.gz YZLYYFHOKXDZBS-UHFFFAOYSA-N 1 0 438.062 5.485 50 0 IKAARO CCCCC[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000004099980 569458937 /nfs/dbraw/zinc/45/89/37/569458937.db2.gz INXGAHHQCIHNOR-QMGVEFKFSA-N 1 0 443.631 6.897 50 0 IKAARO CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CC[NH+]1CCC(C)CC1 ZINC000004278801 569461773 /nfs/dbraw/zinc/46/17/73/569461773.db2.gz NWEMWXPQKBBACN-UHFFFAOYSA-N 1 0 428.598 5.269 50 0 IKAARO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000007978288 569461977 /nfs/dbraw/zinc/46/19/77/569461977.db2.gz PPTAQMAZAYQVIF-IBGZPJMESA-N 1 0 425.532 5.701 50 0 IKAARO Cc1cc(C)cc(NC(=O)[C@H](NCc2ccccc2C[NH+]2CCCC2)c2ccccc2)c1 ZINC000008229978 569462529 /nfs/dbraw/zinc/46/25/29/569462529.db2.gz AEOGLKNZFRDJHL-HHHXNRCGSA-N 1 0 427.592 5.369 50 0 IKAARO O=C(Nc1sc2c(c1[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038545965 569463291 /nfs/dbraw/zinc/46/32/91/569463291.db2.gz YXQKKUUEAADHMA-HSZRJFAPSA-N 1 0 438.568 6.187 50 0 IKAARO Cc1cc([C@H](c2ccc(OC(F)F)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545898 569463321 /nfs/dbraw/zinc/46/33/21/569463321.db2.gz MQHWHBPMUVTIIZ-FQEVSTJZSA-N 1 0 446.519 6.079 50 0 IKAARO CC1CC[NH+]([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccn2)CC1 ZINC000038546321 569463460 /nfs/dbraw/zinc/46/34/60/569463460.db2.gz SKENXLAACNHUGO-QHCPKHFHSA-N 1 0 435.593 5.689 50 0 IKAARO Cc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCC(C)CC2)cc1 ZINC000038546328 569463489 /nfs/dbraw/zinc/46/34/89/569463489.db2.gz PCFIGBWSSDNPKB-VWLOTQADSA-N 1 0 448.632 6.602 50 0 IKAARO CCc1cc([C@@H](c2ccccc2OC)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546283 569463501 /nfs/dbraw/zinc/46/35/01/569463501.db2.gz RLBFAWBABXTTDL-HSZRJFAPSA-N 1 0 438.593 5.986 50 0 IKAARO CCc1cc([C@H](c2cccc(F)c2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546540 569463628 /nfs/dbraw/zinc/46/36/28/569463628.db2.gz YGEFDXUKAQPTJM-QFIPXVFZSA-N 1 0 441.572 5.022 50 0 IKAARO CCc1cc([C@H](c2ccc(F)cc2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546538 569463705 /nfs/dbraw/zinc/46/37/05/569463705.db2.gz VVDUAOVRAGSMMD-QFIPXVFZSA-N 1 0 441.572 5.022 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccnc2)[NH+]2CCC(C)CC2)c1C ZINC000038546709 569463727 /nfs/dbraw/zinc/46/37/27/569463727.db2.gz MCWYFPOHJLTHNK-OAQYLSRUSA-N 1 0 425.623 5.895 50 0 IKAARO COc1cccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)[NH+]2CCCC2)c1 ZINC000038546849 569463737 /nfs/dbraw/zinc/46/37/37/569463737.db2.gz ZESCOTFJSSPTBS-OAQYLSRUSA-N 1 0 426.607 5.873 50 0 IKAARO COc1cccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)[NH+]2CCCC2)c1 ZINC000038546851 569463777 /nfs/dbraw/zinc/46/37/77/569463777.db2.gz ZESCOTFJSSPTBS-NRFANRHFSA-N 1 0 426.607 5.873 50 0 IKAARO COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)[NH+]2CCCC2)cc1 ZINC000038546847 569463803 /nfs/dbraw/zinc/46/38/03/569463803.db2.gz JZJULARSNWEYDU-NRFANRHFSA-N 1 0 426.607 5.873 50 0 IKAARO COc1ccccc1[C@@H](c1c(C)c(C)sc1NC(=O)c1cccs1)[NH+]1CCCC1 ZINC000038546855 569463813 /nfs/dbraw/zinc/46/38/13/569463813.db2.gz ROHZSTRJCZOQAP-NRFANRHFSA-N 1 0 426.607 5.873 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1C ZINC000038546865 569463815 /nfs/dbraw/zinc/46/38/15/569463815.db2.gz MLHBVVQNJQIXJS-HXUWFJFHSA-N 1 0 431.026 6.517 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccc2Cl)[NH+]2CCCC2)c1C ZINC000038546867 569463817 /nfs/dbraw/zinc/46/38/17/569463817.db2.gz MLHBVVQNJQIXJS-FQEVSTJZSA-N 1 0 431.026 6.517 50 0 IKAARO COc1cccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)c1 ZINC000008717701 569471149 /nfs/dbraw/zinc/47/11/49/569471149.db2.gz WIRVQVBMBDMYDQ-SANMLTNESA-N 1 0 439.559 5.231 50 0 IKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3cccs3)C[C@@H]21 ZINC000008717754 569471182 /nfs/dbraw/zinc/47/11/82/569471182.db2.gz ARGHYGFGSNWPKJ-QFIPXVFZSA-N 1 0 445.588 5.293 50 0 IKAARO Oc1ccccc1C=CC1=C[C@](O)(C(F)(F)F)N(c2nc(-c3ccccc3)cs2)[NH2+]1 ZINC000008754029 569473789 /nfs/dbraw/zinc/47/37/89/569473789.db2.gz BNTCKSHXNXHZPT-CFGKVWFZSA-N 1 0 431.439 5.046 50 0 IKAARO Cc1ccc(-c2csc(N3[NH2+]C(C=Cc4ccccc4O)=C[C@]3(O)C(F)(F)F)n2)cc1 ZINC000008754007 569473792 /nfs/dbraw/zinc/47/37/92/569473792.db2.gz RUXJPFUGZHMURD-ZJVMWOEPSA-N 1 0 445.466 5.355 50 0 IKAARO CC(=O)Nc1cc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)ccc1Sc1ccc(C)cc1 ZINC000008811502 569476569 /nfs/dbraw/zinc/47/65/69/569476569.db2.gz SAILRPPBBVAXNV-LJQANCHMSA-N 1 0 439.625 5.099 50 0 IKAARO CCC[NH+](CCC)CCCNC(=O)c1cc(Nc2ccc(C(C)C)cc2)nc2ccccc21 ZINC000008814219 569476677 /nfs/dbraw/zinc/47/66/77/569476677.db2.gz LPZUNNDAQBDRDM-UHFFFAOYSA-N 1 0 446.639 6.344 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000008817707 569476912 /nfs/dbraw/zinc/47/69/12/569476912.db2.gz XKOKCFHMUZBEQI-OAQYLSRUSA-N 1 0 430.379 5.739 50 0 IKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000008837847 569478208 /nfs/dbraw/zinc/47/82/08/569478208.db2.gz DSWJCNQJLMSPAN-OAQYLSRUSA-N 1 0 430.379 5.737 50 0 IKAARO Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008863044 569480192 /nfs/dbraw/zinc/48/01/92/569480192.db2.gz ZKWYYUHVHAYRTF-HXUWFJFHSA-N 1 0 444.000 5.712 50 0 IKAARO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)cc1 ZINC000008880977 569482857 /nfs/dbraw/zinc/48/28/57/569482857.db2.gz ONIIWURLKHRGIM-JOCHJYFZSA-N 1 0 444.535 5.826 50 0 IKAARO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000040033491 569483105 /nfs/dbraw/zinc/48/31/05/569483105.db2.gz MODKXLFNXCJTTB-RDJZCZTQSA-N 1 0 444.457 5.167 50 0 IKAARO Cc1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C(C)C)C5)o2)cc1Cl ZINC000008923103 569486960 /nfs/dbraw/zinc/48/69/60/569486960.db2.gz UUGBGXKHRVSZFT-OAQYLSRUSA-N 1 0 441.984 6.165 50 0 IKAARO C[C@@H]([NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008932132 569487586 /nfs/dbraw/zinc/48/75/86/569487586.db2.gz BSVQZDXYLITYTK-GWKODMSMSA-N 1 0 444.446 7.267 50 0 IKAARO COC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3SCC(F)(F)F)cc2)CC1 ZINC000040156704 569494167 /nfs/dbraw/zinc/49/41/67/569494167.db2.gz CPWFSPWXPOAHGU-UHFFFAOYSA-N 1 0 438.515 5.204 50 0 IKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)C[NH2+]Cc1ccco1 ZINC000008983454 569494655 /nfs/dbraw/zinc/49/46/55/569494655.db2.gz FBDWANCKLFRVKK-DEOSSOPVSA-N 1 0 436.555 6.027 50 0 IKAARO CC[NH+](CC)CCCn1cnc2c(c1=N)[C@H](c1ccco1)c1ccc3ccccc3c1O2 ZINC000008994114 569495489 /nfs/dbraw/zinc/49/54/89/569495489.db2.gz MDOKIMLPQSILGN-QFIPXVFZSA-N 1 0 428.536 5.127 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccs3)=NN12 ZINC000009046587 569498385 /nfs/dbraw/zinc/49/83/85/569498385.db2.gz CBZNIZRDUSZYLF-SFHVURJKSA-N 1 0 446.414 5.256 50 0 IKAARO C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@H]2[NH2+]C[C@@H](O)COc1ccccc1 ZINC000245232364 569500402 /nfs/dbraw/zinc/50/04/02/569500402.db2.gz ULILXULMDVDQAM-YNICZWJZSA-N 1 0 425.657 5.817 50 0 IKAARO C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@H]2[NH2+]C[C@@H](O)COc1ccccc1 ZINC000245232363 569500419 /nfs/dbraw/zinc/50/04/19/569500419.db2.gz ULILXULMDVDQAM-WPLMHNJBSA-N 1 0 425.657 5.817 50 0 IKAARO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc1 ZINC000009087754 569500826 /nfs/dbraw/zinc/50/08/26/569500826.db2.gz KYVWHOUGNSMFTK-VCTRFXNDSA-N 1 0 444.575 5.155 50 0 IKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000245258140 569501654 /nfs/dbraw/zinc/50/16/54/569501654.db2.gz LAPRBDWKIGWNPR-LKUPVBHCSA-N 1 0 429.992 5.210 50 0 IKAARO C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc(-c4ccccn4)nc4ccccc43)n2)C1 ZINC000009112181 569502365 /nfs/dbraw/zinc/50/23/65/569502365.db2.gz LSZAFAWVLOUIQA-QGZVFWFLSA-N 1 0 443.576 5.238 50 0 IKAARO CCc1cccc2c([C@H](CC(=O)NCCC[N@@H+]3CCCC[C@H]3C)c3cccc(F)c3)c[nH]c21 ZINC000245329671 569504094 /nfs/dbraw/zinc/50/40/94/569504094.db2.gz VKFYBNWQKVTINI-CJFMBICVSA-N 1 0 449.614 5.772 50 0 IKAARO Cc1cccc(C(=O)N(C[C@@H]2C[N@H+](Cc3ccco3)C[C@H]2c2ccc(F)cc2)C2CC2)c1 ZINC000245343487 569504496 /nfs/dbraw/zinc/50/44/96/569504496.db2.gz PVTGCPAMFRJUOW-NVQXNPDNSA-N 1 0 432.539 5.248 50 0 IKAARO Cc1ccc(CN(C(=O)Nc2ccccc2Cl)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000009151162 569507453 /nfs/dbraw/zinc/50/74/53/569507453.db2.gz YOZNBUGTQPFEJZ-UHFFFAOYSA-N 1 0 437.971 5.940 50 0 IKAARO C[NH+](C)CCCN(C(=O)c1ccc(Cc2ccccc2)cc1)c1nc2ccc(F)cc2s1 ZINC000009151887 569507627 /nfs/dbraw/zinc/50/76/27/569507627.db2.gz XIVRAQDYVHIJGA-UHFFFAOYSA-N 1 0 447.579 5.625 50 0 IKAARO O=C(c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000009152962 569507932 /nfs/dbraw/zinc/50/79/32/569507932.db2.gz FAOOCGAVIGXXRE-UHFFFAOYSA-N 1 0 441.019 5.020 50 0 IKAARO CCOc1ccc([C@](O)(c2ccccc2OC)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000009194860 569510925 /nfs/dbraw/zinc/51/09/25/569510925.db2.gz OUHVRNJOMYNWKA-YTMVLYRLSA-N 1 0 445.603 5.600 50 0 IKAARO CCOc1ccc([C@](O)(c2ccc(C)cc2)[C@@H](C[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000009195332 569510998 /nfs/dbraw/zinc/51/09/98/569510998.db2.gz JNAOVDHNGJVKKI-XZWHSSHBSA-N 1 0 443.631 6.289 50 0 IKAARO Cc1ccc(-n2ncc(C(=O)Nc3ccc(Cl)cc3Cl)c2C2CC[NH2+]CC2)cc1C ZINC000009227229 569513329 /nfs/dbraw/zinc/51/33/29/569513329.db2.gz CHWCUDDVXBWXQL-UHFFFAOYSA-N 1 0 443.378 5.515 50 0 IKAARO CCc1cccc(C)c1NC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC[NH2+]CC1 ZINC000009227316 569513408 /nfs/dbraw/zinc/51/34/08/569513408.db2.gz MKVUUCSWPQJCTD-UHFFFAOYSA-N 1 0 436.987 5.424 50 0 IKAARO Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)cc12 ZINC000009229127 569513718 /nfs/dbraw/zinc/51/37/18/569513718.db2.gz ZSAUWUGUFZJRAU-SFHVURJKSA-N 1 0 438.015 5.564 50 0 IKAARO CCc1cc([C@H](c2cccc(OC)c2)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000009254032 569516309 /nfs/dbraw/zinc/51/63/09/569516309.db2.gz JNSFDOUEQSRXMR-DEOSSOPVSA-N 1 0 434.605 6.147 50 0 IKAARO O=C(Nc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000009265309 569517289 /nfs/dbraw/zinc/51/72/89/569517289.db2.gz KRTQIYWFOIRDBJ-UHFFFAOYSA-N 1 0 437.584 5.042 50 0 IKAARO CC[NH+](CC)CCCNC(=O)c1[nH]c2cc(OC)ccc2c1Sc1ccc(Cl)cc1 ZINC000009288563 569519406 /nfs/dbraw/zinc/51/94/06/569519406.db2.gz LNBZZHRCNBTWAU-UHFFFAOYSA-N 1 0 446.016 5.443 50 0 IKAARO CC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009307875 569521444 /nfs/dbraw/zinc/52/14/44/569521444.db2.gz AVUHSJBBJHXQCH-NRFANRHFSA-N 1 0 430.379 5.657 50 0 IKAARO CC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009307876 569521457 /nfs/dbraw/zinc/52/14/57/569521457.db2.gz AVUHSJBBJHXQCH-OAQYLSRUSA-N 1 0 430.379 5.657 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000009358491 569525656 /nfs/dbraw/zinc/52/56/56/569525656.db2.gz ODJVINQUELVSDC-NRFANRHFSA-N 1 0 430.379 5.739 50 0 IKAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000009377298 569527424 /nfs/dbraw/zinc/52/74/24/569527424.db2.gz UYXLDLFAEQMZOK-QFIPXVFZSA-N 1 0 427.504 5.169 50 0 IKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 ZINC000009402971 569529393 /nfs/dbraw/zinc/52/93/93/569529393.db2.gz QFOWCZWTGUPCQJ-HNNXBMFYSA-N 1 0 433.021 5.289 50 0 IKAARO O=C(c1ccc(C(F)(F)F)cc1)N(c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009402993 569529436 /nfs/dbraw/zinc/52/94/36/569529436.db2.gz YLZBNALAVDOSMT-UHFFFAOYSA-N 1 0 438.493 6.017 50 0 IKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 ZINC000009402970 569529453 /nfs/dbraw/zinc/52/94/53/569529453.db2.gz QFOWCZWTGUPCQJ-OAHLLOKOSA-N 1 0 433.021 5.289 50 0 IKAARO CCCOc1ccc([C@@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000009408684 569530680 /nfs/dbraw/zinc/53/06/80/569530680.db2.gz OQEZKQAKWQIXTK-KYJUHHDHSA-N 1 0 443.631 6.175 50 0 IKAARO C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(-n2ccnc2)cc1 ZINC000009465396 569537885 /nfs/dbraw/zinc/53/78/85/569537885.db2.gz TWCSTSLILOXFDH-NRFANRHFSA-N 1 0 434.547 5.030 50 0 IKAARO O=C(Nc1ccc(F)cc1)[C@@H](NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000009513046 569543029 /nfs/dbraw/zinc/54/30/29/569543029.db2.gz STCGTFJKAXIBPT-SANMLTNESA-N 1 0 431.555 5.281 50 0 IKAARO Cc1cc(C)cc(NC(=O)[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc2)c1 ZINC000009515979 569543395 /nfs/dbraw/zinc/54/33/95/569543395.db2.gz QPXDLYZZCYSENM-HHHXNRCGSA-N 1 0 427.592 5.369 50 0 IKAARO Cc1ccc(C)c(NC(=O)[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc2)c1 ZINC000009516709 569543522 /nfs/dbraw/zinc/54/35/22/569543522.db2.gz OYAVSBZRBKQKCH-HHHXNRCGSA-N 1 0 427.592 5.369 50 0 IKAARO Clc1ccc(-c2nc3ccccc3c(NC3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000009527111 569544637 /nfs/dbraw/zinc/54/46/37/569544637.db2.gz RLIAODVEEUNLLF-UHFFFAOYSA-N 1 0 428.967 6.027 50 0 IKAARO Cc1ccc2nc3sc(C(=O)NCC4CC[NH+](Cc5cccc(F)c5)CC4)cc3cc2c1 ZINC000009528747 569544757 /nfs/dbraw/zinc/54/47/57/569544757.db2.gz ZGXBXAOLFOTXBQ-UHFFFAOYSA-N 1 0 447.579 5.539 50 0 IKAARO CC[NH+](CC)CCCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000009589356 569549968 /nfs/dbraw/zinc/54/99/68/569549968.db2.gz HXMYXGJKTXOHPG-UHFFFAOYSA-N 1 0 438.575 5.426 50 0 IKAARO C[NH+](C)CCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2ccc(Cl)cc2s1 ZINC000009603882 569551816 /nfs/dbraw/zinc/55/18/16/569551816.db2.gz HLWKUPSQXPUKNN-UHFFFAOYSA-N 1 0 427.879 5.177 50 0 IKAARO C[NH+](C)CCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2c(cccc2Cl)s1 ZINC000009604027 569551884 /nfs/dbraw/zinc/55/18/84/569551884.db2.gz RZCFHVAPKVQFKQ-UHFFFAOYSA-N 1 0 427.879 5.177 50 0 IKAARO CCC1=Nc2cc(C(=O)NCCC[N@H+](C)C3CCCCC3)ccc2Sc2ccc(C)cc21 ZINC000009608085 569552077 /nfs/dbraw/zinc/55/20/77/569552077.db2.gz UMXFESLBKNMVOD-UHFFFAOYSA-N 1 0 449.664 6.375 50 0 IKAARO CCCC1=Nc2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)ccc2Sc2ccc(C)cc21 ZINC000009608128 569552091 /nfs/dbraw/zinc/55/20/91/569552091.db2.gz KZSDSGQTWWXCQV-FQEVSTJZSA-N 1 0 449.664 6.375 50 0 IKAARO CCCC1=Nc2cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3CC)ccc2Sc2ccccc21 ZINC000009607970 569552119 /nfs/dbraw/zinc/55/21/19/569552119.db2.gz LGYHUJOLZJSDJW-OAQYLSRUSA-N 1 0 449.664 6.457 50 0 IKAARO COc1ccccc1Nc1c2cc(NC(=O)c3ccccc3C)ccc2[nH+]c2c1CCCC2 ZINC000009612238 569552837 /nfs/dbraw/zinc/55/28/37/569552837.db2.gz RRGZBLBQIXXAKS-UHFFFAOYSA-N 1 0 437.543 6.427 50 0 IKAARO Cc1ccc(C)c(Nc2cc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3n2)c1 ZINC000009680774 569560165 /nfs/dbraw/zinc/56/01/65/569560165.db2.gz CDWAUNXVXDDJGO-OYRHEFFESA-N 1 0 444.623 5.693 50 0 IKAARO Cc1ccc(Nc2cc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c3ccccc3n2)c(C)c1 ZINC000009680793 569560169 /nfs/dbraw/zinc/56/01/69/569560169.db2.gz CNKVMDGZMFLUOQ-NHCUHLMSSA-N 1 0 444.623 5.693 50 0 IKAARO Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1cccc(OCc2ccccc2)c1 ZINC000009805392 569568765 /nfs/dbraw/zinc/56/87/65/569568765.db2.gz CUUSFTMCIGPGPU-UHFFFAOYSA-N 1 0 448.364 6.041 50 0 IKAARO Cc1cccc(C(C)C)c1OCC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCCCC1)n2C ZINC000009927967 569573606 /nfs/dbraw/zinc/57/36/06/569573606.db2.gz UWYRQKBMYATIHP-UHFFFAOYSA-N 1 0 448.611 5.051 50 0 IKAARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccc(C)cc3)ccc21 ZINC000009942479 569573997 /nfs/dbraw/zinc/57/39/97/569573997.db2.gz NMBXVWOMDGEZQD-UHFFFAOYSA-N 1 0 434.584 5.148 50 0 IKAARO Cn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccccc3C(C)(C)C)ccc21 ZINC000009942347 569574028 /nfs/dbraw/zinc/57/40/28/569574028.db2.gz VNGKQSYQYXMYCX-UHFFFAOYSA-N 1 0 448.611 5.264 50 0 IKAARO Cc1cc(C)c(CSc2nc3ccsc3c(=O)n2CCC[NH+]2CCCCC2)c(C)c1 ZINC000071327636 569575323 /nfs/dbraw/zinc/57/53/23/569575323.db2.gz HKORJIOCQROTNW-UHFFFAOYSA-N 1 0 441.666 5.552 50 0 IKAARO CCCCC[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1cccc(OC)c1 ZINC000009968673 569575894 /nfs/dbraw/zinc/57/58/94/569575894.db2.gz QFILAZDOFCAJFI-RYTSNQFKSA-N 1 0 443.631 6.897 50 0 IKAARO OC(c1ccccc1)(c1ccccc1)C1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000010003100 569577007 /nfs/dbraw/zinc/57/70/07/569577007.db2.gz PHSNANTUHKSKGP-UHFFFAOYSA-N 1 0 441.550 5.364 50 0 IKAARO CC[NH+](CC)CCN(C(=O)c1ccc2ncsc2c1)c1nc2c(cccc2F)s1 ZINC000010066791 569577558 /nfs/dbraw/zinc/57/75/58/569577558.db2.gz CDVPBNDZQITDMC-UHFFFAOYSA-N 1 0 428.558 5.034 50 0 IKAARO CSc1ccc(Cl)c(C(=O)Nc2nc3ccccc3n2CC[NH+]2CCCCC2)c1 ZINC000028305469 569584959 /nfs/dbraw/zinc/58/49/59/569584959.db2.gz WAYJVYUUAGISME-UHFFFAOYSA-N 1 0 428.989 5.150 50 0 IKAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)cc2)CC1 ZINC000009716514 132238400 /nfs/dbraw/zinc/23/84/00/132238400.db2.gz NOKZXEAIHZAUPV-UHFFFAOYSA-N 1 0 434.590 5.029 50 0 IKAARO CCOc1ccc(C[NH+]2CCN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC2)cc1 ZINC000008838107 132295732 /nfs/dbraw/zinc/29/57/32/132295732.db2.gz NFNAGUXGVOHZMU-UHFFFAOYSA-N 1 0 448.567 5.218 50 0 IKAARO CCOc1ccc(C[NH+]2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)cc1 ZINC000009171438 132307526 /nfs/dbraw/zinc/30/75/26/132307526.db2.gz BLSRQVMNQKCEGN-UHFFFAOYSA-N 1 0 430.577 5.079 50 0 IKAARO CC(C)(C)[C@@H]1CCCC2=C1[NH2+]N(c1nc(-c3ccc(F)cc3)cs1)[C@@]2(O)C(F)(F)F ZINC000016957536 518942006 /nfs/dbraw/zinc/94/20/06/518942006.db2.gz KKBBMOZXYZHLCD-SIFCLUCFSA-N 1 0 441.494 5.839 50 0 IKAARO CC(C)CC[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000035843764 519652484 /nfs/dbraw/zinc/65/24/84/519652484.db2.gz VYSQFZYHSBEZHD-UHFFFAOYSA-N 1 0 433.398 7.031 50 0 IKAARO CC(C)CC[N@@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@H](O)Cc1ccccc1 ZINC000035840693 519652628 /nfs/dbraw/zinc/65/26/28/519652628.db2.gz DSSFUSXNNQFGNJ-GDLZYMKVSA-N 1 0 446.679 6.286 50 0 IKAARO CC(C)C[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000035843575 519709732 /nfs/dbraw/zinc/70/97/32/519709732.db2.gz WZHJKSADIHDKIR-RUZDIDTESA-N 1 0 442.644 5.855 50 0 IKAARO CC(C)C[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000035843576 519709980 /nfs/dbraw/zinc/70/99/80/519709980.db2.gz WZHJKSADIHDKIR-VWLOTQADSA-N 1 0 442.644 5.855 50 0 IKAARO CC(C)C[NH2+]CC(=O)Nc1cc(Oc2ccc(Br)cc2)ccc1C(F)(F)F ZINC000012858420 519743023 /nfs/dbraw/zinc/74/30/23/519743023.db2.gz ZFVJXWWGEUTNQO-UHFFFAOYSA-N 1 0 445.279 5.444 50 0 IKAARO CC(C)c1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)cc1 ZINC000012055988 519835886 /nfs/dbraw/zinc/83/58/86/519835886.db2.gz PVWUDUDVBKPYIR-UHFFFAOYSA-N 1 0 436.987 5.749 50 0 IKAARO CCC[N@@H+]1CCc2c(c(CN(C(=O)C3CCCCC3)C(C)C)nn2-c2ccc(C)cc2)C1 ZINC000035926206 519863640 /nfs/dbraw/zinc/86/36/40/519863640.db2.gz SEZKUSXJDCBDER-UHFFFAOYSA-N 1 0 436.644 5.266 50 0 IKAARO CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(C)cc1)C[N@@H+](CC)CC3 ZINC000035427406 519884062 /nfs/dbraw/zinc/88/40/62/519884062.db2.gz XPHSERKTOOPQGK-XMMPIXPASA-N 1 0 448.636 5.250 50 0 IKAARO CCCCCOc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(C)cc3s2)cc1 ZINC000012140913 520249794 /nfs/dbraw/zinc/24/97/94/520249794.db2.gz GAFNCDOQDDXHEA-UHFFFAOYSA-N 1 0 439.625 5.772 50 0 IKAARO CCCCCOc1ccc([C@@](O)(CCC)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020756645 520258325 /nfs/dbraw/zinc/25/83/25/520258325.db2.gz ROOBRHVMCARMNN-SXOMAYOGSA-N 1 0 425.613 5.359 50 0 IKAARO CCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1cccc(Cl)c1 ZINC000035843641 520442685 /nfs/dbraw/zinc/44/26/85/520442685.db2.gz JENNSLIZBJXLAP-JOCHJYFZSA-N 1 0 437.436 5.870 50 0 IKAARO CC1(C)C[C@H](C[NH+]2CCC(CCC(=O)NCc3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000012710707 520544583 /nfs/dbraw/zinc/54/45/83/520544583.db2.gz NASAWUMMMVCXLI-HXUWFJFHSA-N 1 0 440.550 5.019 50 0 IKAARO CCOc1cc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)ccc1OC ZINC000012438602 520696876 /nfs/dbraw/zinc/69/68/76/520696876.db2.gz SSTVUCKDVUPLRR-LJQANCHMSA-N 1 0 445.003 5.056 50 0 IKAARO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874899 520719619 /nfs/dbraw/zinc/71/96/19/520719619.db2.gz BKCZXOHLVZPRMT-HSZRJFAPSA-N 1 0 425.956 5.449 50 0 IKAARO CCOc1cc(C[NH2+]Cc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000022076773 520721925 /nfs/dbraw/zinc/72/19/25/520721925.db2.gz PPAPBJXPEGIEEN-UHFFFAOYSA-N 1 0 446.374 6.270 50 0 IKAARO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(NCc2cn3cc(Cl)ccc3n2)n1 ZINC000012550708 520763340 /nfs/dbraw/zinc/76/33/40/520763340.db2.gz GQNYTLARHKHJAK-UHFFFAOYSA-N 1 0 428.993 5.063 50 0 IKAARO CC1=C(CC[NH+]2CCC3(C[C@H]3C(=O)N3CCN(c4ccccc4)CC3)CC2)C(C)(C)CCC1 ZINC000012155709 520841730 /nfs/dbraw/zinc/84/17/30/520841730.db2.gz UASICSNIXFUAOF-SANMLTNESA-N 1 0 449.683 5.354 50 0 IKAARO CC1=C2C[C@@H]3[C@H](C[NH+]4CCC(O)(c5ccc(Cl)cc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012865889 520850122 /nfs/dbraw/zinc/85/01/22/520850122.db2.gz SLTOBOOESMQMPQ-SWXWDQRWSA-N 1 0 444.015 5.082 50 0 biogenic IKAARO CCCCOc1ccc([C@@](O)(CCCC)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020444423 520896786 /nfs/dbraw/zinc/89/67/86/520896786.db2.gz SLNNRYSCNHDFCT-SXOMAYOGSA-N 1 0 425.613 5.359 50 0 IKAARO CCCCOc1ccc([C@@](O)(CCCC)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020444413 520897265 /nfs/dbraw/zinc/89/72/65/520897265.db2.gz SLNNRYSCNHDFCT-SVBPBHIXSA-N 1 0 425.613 5.359 50 0 IKAARO CC1CCN(C(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)CC1 ZINC000035451510 520974306 /nfs/dbraw/zinc/97/43/06/520974306.db2.gz BGUBREMUGVXWHA-UHFFFAOYSA-N 1 0 447.598 5.299 50 0 IKAARO CC1CCN(C(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3)CC2)CC1 ZINC000035451372 520974383 /nfs/dbraw/zinc/97/43/83/520974383.db2.gz RQIQKGJHCHLLPG-UHFFFAOYSA-N 1 0 429.608 5.160 50 0 IKAARO CCOc1ccc(C[NH2+]CC[C@@]2(c3ccccc3OC)CCO[C@H](C(C)C)C2)cc1OC ZINC000012864436 521001900 /nfs/dbraw/zinc/00/19/00/521001900.db2.gz OHZCFVVRZGMNSE-RRPNLBNLSA-N 1 0 441.612 5.355 50 0 biogenic IKAARO CCOc1ccc(C[NH2+]CC[C@]2(c3ccccc3OC)CCO[C@@H](C(C)C)C2)cc1OC ZINC000012864428 521002277 /nfs/dbraw/zinc/00/22/77/521002277.db2.gz OHZCFVVRZGMNSE-SXOMAYOGSA-N 1 0 441.612 5.355 50 0 biogenic IKAARO CCOc1ccc(C[NH2+]CC[C@@]2(c3ccccc3OC)CCO[C@@H](C(C)C)C2)cc1OC ZINC000012864415 521002728 /nfs/dbraw/zinc/00/27/28/521002728.db2.gz OHZCFVVRZGMNSE-KAYWLYCHSA-N 1 0 441.612 5.355 50 0 biogenic IKAARO CCOc1ccc([C@](O)(CCc2ccccc2)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020444456 521277131 /nfs/dbraw/zinc/27/71/31/521277131.db2.gz AOLCPUKPAQWQSK-FQLXRVMXSA-N 1 0 445.603 5.022 50 0 IKAARO CCCCc1nc(CN(Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)c[nH]1 ZINC000012305208 521289960 /nfs/dbraw/zinc/28/99/60/521289960.db2.gz CVGSLMUBHMLVDG-UHFFFAOYSA-N 1 0 445.655 5.370 50 0 IKAARO CCC[C@](O)(c1ccc(OCCC(C)C)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020756668 521297975 /nfs/dbraw/zinc/29/79/75/521297975.db2.gz AMWZFRHFXGRGAR-SXOMAYOGSA-N 1 0 425.613 5.215 50 0 IKAARO CC[N@@H+](Cc1ccc(Oc2ncccn2)cc1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012714739 521330376 /nfs/dbraw/zinc/33/03/76/521330376.db2.gz WHRXNERUIONHKB-XMMPIXPASA-N 1 0 448.586 5.185 50 0 IKAARO CC[N@@H+](Cc1ccc(Oc2ncccn2)cc1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012714735 521331020 /nfs/dbraw/zinc/33/10/20/521331020.db2.gz WHRXNERUIONHKB-DEOSSOPVSA-N 1 0 448.586 5.185 50 0 IKAARO CCCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccc(C)cc3)ccc21 ZINC000020594960 521361250 /nfs/dbraw/zinc/36/12/50/521361250.db2.gz TYHOSTKZPLCGJV-UHFFFAOYSA-N 1 0 448.611 5.538 50 0 IKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728580 521645899 /nfs/dbraw/zinc/64/58/99/521645899.db2.gz GIZIFYWLXBTGHC-PTGBLXJZSA-N 1 0 437.609 5.014 50 0 IKAARO CC[N@@H+]1CCC[C@H]1CN[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000022037937 521658385 /nfs/dbraw/zinc/65/83/85/521658385.db2.gz SUMBPUAQPZQJBA-FXAWDEMLSA-N 1 0 439.909 5.113 50 0 IKAARO CCC1(CC)C[C@H]1C(=O)N(Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012432996 521691591 /nfs/dbraw/zinc/69/15/91/521691591.db2.gz AMIYRKIPOAANHW-SANMLTNESA-N 1 0 433.640 5.457 50 0 IKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)NC2CCCC2)C1 ZINC000020532206 521724734 /nfs/dbraw/zinc/72/47/34/521724734.db2.gz JOGXTVLTLGVFAQ-NRFANRHFSA-N 1 0 442.673 5.636 50 0 IKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2cccc3c2CCCC3)C1 ZINC000020532243 521724915 /nfs/dbraw/zinc/72/49/15/521724915.db2.gz SLJAUZLFBJXQKQ-GOSISDBHSA-N 1 0 448.636 5.678 50 0 IKAARO COc1cc(-c2nc(C[N@@H+]3CCC[C@@H](COc4cccc(F)c4)C3)c(C)o2)ccc1F ZINC000012304170 521903064 /nfs/dbraw/zinc/90/30/64/521903064.db2.gz GCDVDDPGVLWSHL-QGZVFWFLSA-N 1 0 428.479 5.228 50 0 IKAARO COC(=O)c1ccc(C[N@H+](Cc2cccn2Cc2ccc(F)cc2)C2CCCCC2)cc1 ZINC000035843738 522001799 /nfs/dbraw/zinc/00/17/99/522001799.db2.gz RHBJPESWGTVCCV-UHFFFAOYSA-N 1 0 434.555 5.797 50 0 IKAARO COc1cc(C(=O)N[C@H](C)c2cccs2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012571080 522142977 /nfs/dbraw/zinc/14/29/77/522142977.db2.gz PKAVJBXHKZEWFJ-QGZVFWFLSA-N 1 0 428.598 5.034 50 0 IKAARO COc1cc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)cc(Cl)c1O ZINC000012745518 522476180 /nfs/dbraw/zinc/47/61/80/522476180.db2.gz VXRNKNAHEQFIOZ-LJQANCHMSA-N 1 0 425.960 5.352 50 0 IKAARO COc1cc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)ccc1OCc1ccccc1 ZINC000012298768 522478782 /nfs/dbraw/zinc/47/87/82/522478782.db2.gz FUGKFDCXVURYIN-FQEVSTJZSA-N 1 0 427.548 5.619 50 0 IKAARO C[N@H+](CCC12CC3CC(CC(C3)C1)C2)[C@H]1CCC(=O)N(Cc2ccc(F)cc2F)CC1 ZINC000012123977 522698554 /nfs/dbraw/zinc/69/85/54/522698554.db2.gz HHZSZFDOTQMXKI-KROKWJMESA-N 1 0 430.583 5.384 50 0 IKAARO CC[C@@H](NC(=O)Nc1cccc(C)c1C)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532211 522750670 /nfs/dbraw/zinc/75/06/70/522750670.db2.gz BTMYUAQTDYROAJ-HXUWFJFHSA-N 1 0 436.625 5.806 50 0 IKAARO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc(OC)c1OC ZINC000012418665 522934248 /nfs/dbraw/zinc/93/42/48/522934248.db2.gz FHCDSSAQYVTDRX-CYSDGLOUSA-N 1 0 445.987 5.234 50 0 biogenic,in-vitro IKAARO CCn1c(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccc(OC)cc3C)C2)nc2ccccc21 ZINC000012445662 523191527 /nfs/dbraw/zinc/19/15/27/523191527.db2.gz MROKJOYTZMXCET-FQEVSTJZSA-N 1 0 434.584 5.004 50 0 IKAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](COc4ccccc4F)C3)c(C)o2)cc1OC ZINC000012579978 523204720 /nfs/dbraw/zinc/20/47/20/523204720.db2.gz OAQWLYPEOLKNIO-SFHVURJKSA-N 1 0 440.515 5.097 50 0 IKAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)c(OC)c1 ZINC000020540189 523204770 /nfs/dbraw/zinc/20/47/70/523204770.db2.gz OTENVPSCZFZHSP-KRWDZBQOSA-N 1 0 433.508 5.188 50 0 IKAARO COCCC[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000035843744 523264038 /nfs/dbraw/zinc/26/40/38/523264038.db2.gz RPWYLRRDBNKHLB-UHFFFAOYSA-N 1 0 434.477 5.733 50 0 IKAARO COc1ccc(-n2cc(C[NH2+][C@H]3CCOC(C)(C)C3)c(-c3ccccc3Cl)n2)cc1 ZINC000012298956 523331204 /nfs/dbraw/zinc/33/12/04/523331204.db2.gz BDBPMAOPEIXVLB-SFHVURJKSA-N 1 0 425.960 5.249 50 0 IKAARO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1)c1ccccc1 ZINC000012457738 523335234 /nfs/dbraw/zinc/33/52/34/523335234.db2.gz NKYQUQZPFSDXLH-AREMUKBSSA-N 1 0 446.595 5.170 50 0 IKAARO COc1ccc(C(=O)N2C[C@H](C[NH+]3CCCCC3)[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000034697979 523669711 /nfs/dbraw/zinc/66/97/11/523669711.db2.gz GWKRUOHLIJGFKC-REWPJTCUSA-N 1 0 446.513 5.056 50 0 IKAARO C[NH+]1CCN([C@H](c2ccc(Cl)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000021486911 523921185 /nfs/dbraw/zinc/92/11/85/523921185.db2.gz WOKKXZWWFPXJLW-HSZRJFAPSA-N 1 0 429.048 5.977 50 0 IKAARO COc1ccc(C[NH+](Cc2cccc3cccnc32)Cc2cccc3cccnc32)cc1OC ZINC000012804183 524014360 /nfs/dbraw/zinc/01/43/60/524014360.db2.gz SQDIUCHGFGXIBP-UHFFFAOYSA-N 1 0 449.554 6.003 50 0 IKAARO CCc1ccc([C@@H](CNC(=O)c2ccc(SCc3csc(C)n3)cc2)[NH+](C)C)cc1 ZINC000022684773 524029073 /nfs/dbraw/zinc/02/90/73/524029073.db2.gz NVGGMDNQTXAFDG-HSZRJFAPSA-N 1 0 439.650 5.339 50 0 IKAARO C[NH+](C)CCCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2c(cccc2F)s1 ZINC000012140992 524053488 /nfs/dbraw/zinc/05/34/88/524053488.db2.gz AMVXZKMAIWCGAE-UHFFFAOYSA-N 1 0 425.451 5.053 50 0 IKAARO C[NH+](C)CCCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2c(cc(F)cc2F)s1 ZINC000012141021 524053492 /nfs/dbraw/zinc/05/34/92/524053492.db2.gz HLSSYXYGLNNSHJ-UHFFFAOYSA-N 1 0 443.441 5.192 50 0 IKAARO Cc1cc(C)c2c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc(=O)oc2c1 ZINC000020502948 524342538 /nfs/dbraw/zinc/34/25/38/524342538.db2.gz RPUPLJNHQGTIHH-UHFFFAOYSA-N 1 0 438.571 5.317 50 0 IKAARO Cc1ccc(CN(C(=O)Nc2cc(F)ccc2F)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000020532301 524356712 /nfs/dbraw/zinc/35/67/12/524356712.db2.gz FSBHEHRYQKCKMA-UHFFFAOYSA-N 1 0 439.506 5.565 50 0 IKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000020737371 524364073 /nfs/dbraw/zinc/36/40/73/524364073.db2.gz YRTYIEAXPZOWKH-OFXLYPJESA-N 1 0 449.620 5.155 50 0 IKAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000012455157 524446397 /nfs/dbraw/zinc/44/63/97/524446397.db2.gz BLJCMYRLAVEHSR-UHFFFAOYSA-N 1 0 433.596 5.187 50 0 IKAARO C[C@H](CNC(=O)c1ccccc1C(F)(F)F)Oc1cccc(C[N@H+](C)Cc2ccoc2)c1 ZINC000012279821 524469719 /nfs/dbraw/zinc/46/97/19/524469719.db2.gz SDFADHJBHDGTJB-QGZVFWFLSA-N 1 0 446.469 5.128 50 0 IKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)N4CCC(C)CC4)CC3)cc3ccccc32)c1 ZINC000035451479 524491121 /nfs/dbraw/zinc/49/11/21/524491121.db2.gz IPMUZYZUSQDCOK-UHFFFAOYSA-N 1 0 443.635 5.469 50 0 IKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)N4CCCCC4)CC3)cc3ccccc32)c1 ZINC000035451487 524491335 /nfs/dbraw/zinc/49/13/35/524491335.db2.gz HROWUBMSEOPDNF-UHFFFAOYSA-N 1 0 429.608 5.223 50 0 IKAARO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+]([C@H](C)Cc2ccc(C)cc2)CC1 ZINC000020512903 524616235 /nfs/dbraw/zinc/61/62/35/524616235.db2.gz ADVVICISVLGJHY-HXUWFJFHSA-N 1 0 447.583 5.112 50 0 IKAARO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](CC[C@H](C)c2ccccc2)CC1 ZINC000020537431 524617619 /nfs/dbraw/zinc/61/76/19/524617619.db2.gz GWJCPJWOGOXZNL-FQEVSTJZSA-N 1 0 447.583 5.366 50 0 IKAARO Cc1ccc(COc2ccc(Br)cc2C[NH2+]C[C@@H](O)c2ccccc2)cc1 ZINC000020874631 524629285 /nfs/dbraw/zinc/62/92/85/524629285.db2.gz TUCXPKRUVVVVED-JOCHJYFZSA-N 1 0 426.354 5.160 50 0 IKAARO Cc1cc(C[NH+]2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)cc(C)c1O ZINC000012385837 524675888 /nfs/dbraw/zinc/67/58/88/524675888.db2.gz DKHTWXIDJQNKAT-UHFFFAOYSA-N 1 0 446.595 5.004 50 0 IKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)cc3ccccc32)cc1 ZINC000021116157 524765949 /nfs/dbraw/zinc/76/59/49/524765949.db2.gz WXXDRVGLVOEKEJ-UHFFFAOYSA-N 1 0 443.635 5.613 50 0 IKAARO COc1ccc(OC)c(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000012308542 524825306 /nfs/dbraw/zinc/82/53/06/524825306.db2.gz YUNZDJBUTVIQIU-HSZRJFAPSA-N 1 0 437.628 5.146 50 0 IKAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N[C@H](C)c2cccs2)c1 ZINC000012750950 524925524 /nfs/dbraw/zinc/92/55/24/524925524.db2.gz BQCHIFMDHADMQR-QGZVFWFLSA-N 1 0 428.598 5.034 50 0 IKAARO Cc1ccccc1-c1ccc(C[N@@H+]2CCOc3ccc([C@@H](O)c4cccnc4)cc3C2)cc1 ZINC000012152215 525003808 /nfs/dbraw/zinc/00/38/08/525003808.db2.gz OJAQRYUDRSIYCQ-GDLZYMKVSA-N 1 0 436.555 5.533 50 0 IKAARO Cc1ccccc1-c1ncc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)cn1 ZINC000012706133 525013382 /nfs/dbraw/zinc/01/33/82/525013382.db2.gz DXZFRGGMOHZZNN-XMMPIXPASA-N 1 0 441.554 5.580 50 0 IKAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)/C=C/c2ccccn2)C2CCCC2)CC1 ZINC000012307873 525107685 /nfs/dbraw/zinc/10/76/85/525107685.db2.gz VTDJDVGIBDKSCC-BUHFOSPRSA-N 1 0 431.624 5.129 50 0 IKAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)c2ccc(F)cc2F)CC1 ZINC000012319831 525136113 /nfs/dbraw/zinc/13/61/13/525136113.db2.gz QUDXVVLKPPWCMG-UHFFFAOYSA-N 1 0 449.545 5.223 50 0 IKAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)Cc2cccc(F)c2)CC1 ZINC000012318797 525138132 /nfs/dbraw/zinc/13/81/32/525138132.db2.gz ZKSOVZBTWMTAEY-UHFFFAOYSA-N 1 0 445.582 5.013 50 0 IKAARO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000035088447 525238220 /nfs/dbraw/zinc/23/82/20/525238220.db2.gz DRLQYRAHNGPDIT-HRFSGMKKSA-N 1 0 441.575 5.401 50 0 IKAARO Cc1ccccc1OC[C@H](O)C[N@@H+](CCC(C)C)Cc1cccn1Cc1cccc(F)c1 ZINC000035840821 525313993 /nfs/dbraw/zinc/31/39/93/525313993.db2.gz JIWCFEDUMFDOCQ-AREMUKBSSA-N 1 0 438.587 5.272 50 0 IKAARO Cc1ccc(-[n+]2c(C)cc(/C=C3\Sc4ccccc4N3Cc3ccccc3)cc2C)cc1 ZINC000013051396 525710530 /nfs/dbraw/zinc/71/05/30/525710530.db2.gz VDWIRBXSGPONIP-UHFFFAOYSA-N 1 0 435.616 6.999 50 0 IKAARO C[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C[N@H+](C2CCCCC2)[C@@H]1c1ccccc1 ZINC000035930588 525714719 /nfs/dbraw/zinc/71/47/19/525714719.db2.gz BPODYCZWRPAIBO-MXGGMJLHSA-N 1 0 437.627 7.295 50 0 IKAARO COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](c4ccc(Cl)cc4)C3)c(C)o2)c1OC ZINC000020780072 525723967 /nfs/dbraw/zinc/72/39/67/525723967.db2.gz KHFSRTWDATXEKC-SFHVURJKSA-N 1 0 426.944 5.700 50 0 IKAARO Cc1ccc(-c2csc(-c3cccn3CC(=O)N3CCC([NH+]4CCCCC4)CC3)n2)cc1 ZINC000035461554 525778226 /nfs/dbraw/zinc/77/82/26/525778226.db2.gz HZCJEIXGXAUXAK-UHFFFAOYSA-N 1 0 448.636 5.064 50 0 IKAARO Cc1ccsc1[C@H]1CCCCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000033087087 525890717 /nfs/dbraw/zinc/89/07/17/525890717.db2.gz IEDRUDOPPACPOA-JOCHJYFZSA-N 1 0 433.646 7.088 50 0 IKAARO COc1cccc(C[N@H+](Cc2cccn2Cc2cccc(C(F)(F)F)c2)[C@H](C)C(C)C)c1 ZINC000035841208 525923101 /nfs/dbraw/zinc/92/31/01/525923101.db2.gz MXHQNWXDWUEBBQ-HXUWFJFHSA-N 1 0 444.541 6.611 50 0 IKAARO Cc1ccc(-n2ncc(C(=O)Nc3ccc(F)c(Cl)c3)c2C2CC[NH2+]CC2)c(C)c1 ZINC000020941369 525932510 /nfs/dbraw/zinc/93/25/10/525932510.db2.gz FZLJYAPPDDQIGI-UHFFFAOYSA-N 1 0 426.923 5.001 50 0 IKAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000011963337 526017254 /nfs/dbraw/zinc/01/72/54/526017254.db2.gz BQWYVFWSQAYIOP-AHKZPQOWSA-N 1 0 428.576 5.150 50 0 IKAARO C[C@H](c1cc(-c2ccccc2)n[nH]1)[N@H+](C)[C@H]1CCC(=O)N(Cc2ccccc2Cl)CC1 ZINC000012244914 526034420 /nfs/dbraw/zinc/03/44/20/526034420.db2.gz QZPVXHSWRFPXNM-NQIIRXRSSA-N 1 0 436.987 5.304 50 0 IKAARO COc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000034682687 526127364 /nfs/dbraw/zinc/12/73/64/526127364.db2.gz LDSGHEULTPHEDW-UHFFFAOYSA-N 1 0 442.603 6.130 50 0 IKAARO C[C@H](c1cccs1)N(C)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012373431 526152552 /nfs/dbraw/zinc/15/25/52/526152552.db2.gz VMDXMXPXFNCVCP-LJQANCHMSA-N 1 0 435.593 5.020 50 0 IKAARO C[C@H](c1nnc(-c2cccs2)o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022790787 526187104 /nfs/dbraw/zinc/18/71/04/526187104.db2.gz SAMOERHBQIGBJM-LJQANCHMSA-N 1 0 430.577 5.266 50 0 IKAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(Cc4ccccc4)cc3)sc2c1 ZINC000012140915 526251123 /nfs/dbraw/zinc/25/11/23/526251123.db2.gz LPEDDEBCEKDSTC-UHFFFAOYSA-N 1 0 443.616 5.794 50 0 IKAARO C[C@H](CC(F)(F)F)[NH+]1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC000012456684 526257324 /nfs/dbraw/zinc/25/73/24/526257324.db2.gz ZPTJURRBJVOHLF-CQSZACIVSA-N 1 0 432.914 5.197 50 0 IKAARO Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(C)C3CC[NH+](C(C)C)CC3)cc12 ZINC000012766493 526297136 /nfs/dbraw/zinc/29/71/36/526297136.db2.gz HTNAZVIVTGLKLM-UHFFFAOYSA-N 1 0 445.032 5.053 50 0 IKAARO O=C(C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1)N1CCCCC1 ZINC000035451497 526303514 /nfs/dbraw/zinc/30/35/14/526303514.db2.gz IVCUFVXMOMJVHU-UHFFFAOYSA-N 1 0 433.571 5.053 50 0 IKAARO Fc1ccc(C[NH2+]Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 ZINC000020876491 526339301 /nfs/dbraw/zinc/33/93/01/526339301.db2.gz AWIUNTUVDZZHIE-UHFFFAOYSA-N 1 0 434.736 6.110 50 0 IKAARO Fc1ccc([C@H](c2ccccc2)N2CC[NH+](CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022035652 526366805 /nfs/dbraw/zinc/36/68/05/526366805.db2.gz PTXQKQPOIKEGBV-NDEPHWFRSA-N 1 0 427.567 5.647 50 0 biogenic IKAARO S=c1[nH]c(C=Cc2ccccc2)nn1CN1CCC(c2nc3ccccc3s2)CC1 ZINC000022757130 526386823 /nfs/dbraw/zinc/38/68/23/526386823.db2.gz UXMMDHWGSQVNPK-ZHACJKMWSA-N 1 0 433.606 5.558 50 0 IKAARO O=C(CCN1CC[NH+](Cc2csc3ccccc23)CC1)Nc1c(Cl)cccc1Cl ZINC000022916962 526488079 /nfs/dbraw/zinc/48/80/79/526488079.db2.gz ZPVWASBAQLXZMI-UHFFFAOYSA-N 1 0 448.419 5.355 50 0 IKAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1cc(-c2ccc3c(c2)CCCC3)on1 ZINC000021805307 526493962 /nfs/dbraw/zinc/49/39/62/526493962.db2.gz VBBYAWBVVXSQEZ-QFIPXVFZSA-N 1 0 435.593 5.239 50 0 IKAARO O=C(c1cc(-c2ccccc2)c(N2CCCCC2)s1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020597678 526591034 /nfs/dbraw/zinc/59/10/34/526591034.db2.gz UVRJRBGBRFGWNT-UHFFFAOYSA-N 1 0 437.653 5.496 50 0 IKAARO c1ncn(CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)c2ccccc2)n1 ZINC000012301976 526616391 /nfs/dbraw/zinc/61/63/91/526616391.db2.gz JVLJOKUZPVHCRS-SANMLTNESA-N 1 0 434.547 5.256 50 0 IKAARO O=C(CCc1ncc(-c2ccccc2Cl)o1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000022621276 526657772 /nfs/dbraw/zinc/65/77/72/526657772.db2.gz LKQVLMACPKKJGG-UHFFFAOYSA-N 1 0 429.992 5.233 50 0 IKAARO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000012203449 526735672 /nfs/dbraw/zinc/73/56/72/526735672.db2.gz FLTURGVDYASOMN-UHFFFAOYSA-N 1 0 445.563 5.277 50 0 IKAARO Cc1oc2c(ccc3c2CN(C[C@@H]2CCC[N@@H+]4CCCC[C@H]24)CO3)c(=O)c1-c1ccccc1 ZINC000020763608 526779131 /nfs/dbraw/zinc/77/91/31/526779131.db2.gz VJJJBNQJHYLWDK-XUZZJYLKSA-N 1 0 444.575 5.185 50 0 biogenic IKAARO O=C(c1cccs1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000034682586 526834840 /nfs/dbraw/zinc/83/48/40/526834840.db2.gz SLQKZPYKVQSPOL-UHFFFAOYSA-N 1 0 428.960 5.852 50 0 IKAARO O=C(C[NH2+][C@@H](CCCc1ccccc1)c1ccccc1)Nc1cc2c(cc1Cl)OCO2 ZINC000012874816 526886629 /nfs/dbraw/zinc/88/66/29/526886629.db2.gz BWIHJQOMJAJTQX-NRFANRHFSA-N 1 0 436.939 5.361 50 0 IKAARO O=C(c1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000012718444 526899599 /nfs/dbraw/zinc/89/95/99/526899599.db2.gz QLDCGJUGBRODIJ-QFIPXVFZSA-N 1 0 449.542 5.167 50 0 IKAARO Clc1ccc(-c2nnc([C@@H](c3ccccc3)N3CC[NH+](C4CCCCC4)CC3)o2)cc1 ZINC000021538428 526936588 /nfs/dbraw/zinc/93/65/88/526936588.db2.gz XZNIKDSLBZZBCX-HSZRJFAPSA-N 1 0 436.987 5.430 50 0 IKAARO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]C2CCCCCCC2)c(Cl)c1 ZINC000022076329 526951884 /nfs/dbraw/zinc/95/18/84/526951884.db2.gz TZGUQEDGQSJOSO-UHFFFAOYSA-N 1 0 426.815 7.428 50 0 IKAARO Clc1ccc(Oc2cccc(CN3CC[N@@H+]4CCC[C@@H]4[C@H]3C3CCCCC3)c2)cc1 ZINC000252469971 526958800 /nfs/dbraw/zinc/95/88/00/526958800.db2.gz CAUUZMHTQOKFAB-CLJLJLNGSA-N 1 0 425.016 6.361 50 0 IKAARO O=C(Nc1c2ccccc2oc1[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1ccccc1 ZINC000015859480 527095025 /nfs/dbraw/zinc/09/50/25/527095025.db2.gz MNMVVYGBAPMQAS-VWLOTQADSA-N 1 0 444.962 6.914 50 0 IKAARO O=C(Nc1ccc(Cl)cc1Cl)c1cnn(-c2cccc(F)c2)c1C1CC[NH2+]CC1 ZINC000020941274 527185002 /nfs/dbraw/zinc/18/50/02/527185002.db2.gz NYPKUZURIRXELE-UHFFFAOYSA-N 1 0 433.314 5.038 50 0 IKAARO O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000011839477 527309554 /nfs/dbraw/zinc/30/95/54/527309554.db2.gz IUWKYOTZUXZDFW-UHFFFAOYSA-N 1 0 439.534 5.892 50 0 IKAARO Cc1ncsc1CCC[NH2+]C1CCN(c2cccc(NC(=O)CC3CCCC3)c2)CC1 ZINC000012453611 527484775 /nfs/dbraw/zinc/48/47/75/527484775.db2.gz CUZBPHZRSAVHKA-UHFFFAOYSA-N 1 0 440.657 5.162 50 0 IKAARO OCC1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012224330 527523722 /nfs/dbraw/zinc/52/37/22/527523722.db2.gz MUNSVXBCZRWGQQ-UHFFFAOYSA-N 1 0 431.420 5.541 50 0 IKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1(c2ccc(Br)cc2)CCCC1 ZINC000024590771 527530600 /nfs/dbraw/zinc/53/06/00/527530600.db2.gz DBMBZOKFNFWAOA-UHFFFAOYSA-N 1 0 441.413 5.042 50 0 IKAARO O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CC12CC[NH+](Cc1cccnc1)CC2 ZINC000012099876 527618718 /nfs/dbraw/zinc/61/87/18/527618718.db2.gz BQFRFDJMHNSHKM-MHZLTWQESA-N 1 0 439.603 5.022 50 0 IKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000033126141 527660395 /nfs/dbraw/zinc/66/03/95/527660395.db2.gz BUINHNVHUDHCBE-RUZDIDTESA-N 1 0 429.608 5.049 50 0 IKAARO CN1C=CC(=C/C=C(/C=C/c2cc[n+](C)c3ccccc23)c2ccccc2)c2ccccc21 ZINC000008927810 536328818 /nfs/dbraw/zinc/32/88/18/536328818.db2.gz LNZJCQNLNBQIQS-UHFFFAOYSA-N 1 0 427.571 6.808 50 0 IKAARO COc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000000538045 555510357 /nfs/dbraw/zinc/51/03/57/555510357.db2.gz JEYWNNAZDLFBFF-UHFFFAOYSA-N 1 0 425.572 6.075 50 0 in-man IKAARO CCOc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000001448840 555699584 /nfs/dbraw/zinc/69/95/84/555699584.db2.gz ZPNVPXINAFMWKW-HSZRJFAPSA-N 1 0 438.593 6.184 50 0 IKAARO CC[NH+](CC)C[C@@H](O)Cn1c2c(cc(C)cc2C)c(-c2ccccc2)c1-c1ccccc1 ZINC000001894940 555722978 /nfs/dbraw/zinc/72/29/78/555722978.db2.gz DTIOIWHFHYKANC-RUZDIDTESA-N 1 0 426.604 6.295 50 0 IKAARO OCC[NH2+]C[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000002083331 555738927 /nfs/dbraw/zinc/73/89/27/555738927.db2.gz RHFCJMMUTRHBRR-XMMPIXPASA-N 1 0 436.555 5.071 50 0 IKAARO CC[NH+](CC)C[C@H](O)Cn1c2c(ccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1 ZINC000002083322 555738953 /nfs/dbraw/zinc/73/89/53/555738953.db2.gz LOFMOFMAWPKIMA-SANMLTNESA-N 1 0 448.610 6.831 50 0 IKAARO CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000034671810 555793084 /nfs/dbraw/zinc/79/30/84/555793084.db2.gz DSRVWTDQIQUZFF-KDYSTLNUSA-N 1 0 428.576 5.046 50 0 IKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2cc(OC)cc(OC)c2)cc1 ZINC000002751372 555810334 /nfs/dbraw/zinc/81/03/34/555810334.db2.gz AROOQDCSBBDXKM-UHFFFAOYSA-N 1 0 449.547 5.076 50 0 biogenic IKAARO O=C(c1cccc(F)c1)N1C[C@@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034698002 555811782 /nfs/dbraw/zinc/81/17/82/555811782.db2.gz LFGAMHITTZXTMW-DENIHFKCSA-N 1 0 434.477 5.186 50 0 IKAARO Cc1cccc(C(=O)N2C[C@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000034698025 555812048 /nfs/dbraw/zinc/81/20/48/555812048.db2.gz IPQYCIMNLFBKQG-JTHBVZDNSA-N 1 0 430.514 5.356 50 0 IKAARO Cc1ccc([C@@H]2C[N@@H+](Cc3cccn3C)C[C@@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000034699096 555814296 /nfs/dbraw/zinc/81/42/96/555814296.db2.gz OTBQZSDHSBFOAD-VPUSJEBWSA-N 1 0 429.608 5.100 50 0 IKAARO CC[C@@H](C(=O)Nc1ccc(N2CCC[N@H+](Cc3cccc(C)c3)CC2)nc1)c1ccccc1 ZINC000034681896 555815715 /nfs/dbraw/zinc/81/57/15/555815715.db2.gz LVPMRNHXYCZPAS-AREMUKBSSA-N 1 0 442.607 5.235 50 0 IKAARO O=C(c1cccs1)N(c1ccccc1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682493 555816338 /nfs/dbraw/zinc/81/63/38/555816338.db2.gz VGEPPEOKQVDDRH-UHFFFAOYSA-N 1 0 444.522 6.078 50 0 IKAARO CC(C)CC(=O)N(c1ccccc1)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000034682514 555816390 /nfs/dbraw/zinc/81/63/90/555816390.db2.gz OEVWRFCQHBLPDR-UHFFFAOYSA-N 1 0 442.603 6.523 50 0 IKAARO O=C(c1ccccc1F)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034682643 555816789 /nfs/dbraw/zinc/81/67/89/555816789.db2.gz KUQVQPHIQFIIMN-UHFFFAOYSA-N 1 0 440.921 5.930 50 0 IKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(F)cc3)CC2)c1OC ZINC000034682633 555816820 /nfs/dbraw/zinc/81/68/20/555816820.db2.gz KGNUVNFFMWUULF-UHFFFAOYSA-N 1 0 448.538 5.154 50 0 IKAARO CC(C)CC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682599 555816826 /nfs/dbraw/zinc/81/68/26/555816826.db2.gz YDCIGBPQDFVQOY-UHFFFAOYSA-N 1 0 436.493 5.888 50 0 IKAARO Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000034682638 555816841 /nfs/dbraw/zinc/81/68/41/555816841.db2.gz SSEOUOVRVHEHOK-UHFFFAOYSA-N 1 0 436.958 6.099 50 0 IKAARO COc1ccc(C(=O)N(c2ccc(OC)cc2)C2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000034682779 555817059 /nfs/dbraw/zinc/81/70/59/555817059.db2.gz GTLRISQGZZXMDP-UHFFFAOYSA-N 1 0 436.577 5.077 50 0 IKAARO CCCC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682735 555817094 /nfs/dbraw/zinc/81/70/94/555817094.db2.gz CAMRJCKRWNWBML-UHFFFAOYSA-N 1 0 436.493 5.951 50 0 IKAARO COc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000034682684 555817098 /nfs/dbraw/zinc/81/70/98/555817098.db2.gz MWJLBDWFLCSSLR-UHFFFAOYSA-N 1 0 434.967 5.660 50 0 IKAARO COc1ccc(N(C(=O)C(C)C)C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1OC ZINC000034682862 555817558 /nfs/dbraw/zinc/81/75/58/555817558.db2.gz FINPGMNSECPXDP-UHFFFAOYSA-N 1 0 438.612 5.481 50 0 IKAARO CCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000034683019 555818121 /nfs/dbraw/zinc/81/81/21/555818121.db2.gz ZUFZRXYRTFOXKM-UHFFFAOYSA-N 1 0 428.576 6.195 50 0 IKAARO COc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(C)c(C)c3)CC2)cc1 ZINC000034683227 555818508 /nfs/dbraw/zinc/81/85/08/555818508.db2.gz JGGRUFXUOZXOIH-UHFFFAOYSA-N 1 0 428.576 5.623 50 0 IKAARO Cc1cccc(N2CC[NH+](Cc3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)CC2)c1C ZINC000034684867 555820490 /nfs/dbraw/zinc/82/04/90/555820490.db2.gz RPVLGHYGNIYZND-HSZRJFAPSA-N 1 0 427.592 5.117 50 0 IKAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2cccc(C(=O)NCc3cccc(C)c3)c2)CC1 ZINC000034684981 555820558 /nfs/dbraw/zinc/82/05/58/555820558.db2.gz KXDIUMQTJMJBCE-UHFFFAOYSA-N 1 0 440.587 5.048 50 0 IKAARO Cc1cccc(C(=O)N(C[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]2c2ccc(F)cc2)C2CC2)c1 ZINC000034699192 555830965 /nfs/dbraw/zinc/83/09/65/555830965.db2.gz PVTGCPAMFRJUOW-BKMJKUGQSA-N 1 0 432.539 5.248 50 0 IKAARO Cc1cc([C@@H]2C[C@H](C(=O)NCc3ccccc3)C[N@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716626 555865793 /nfs/dbraw/zinc/86/57/93/555865793.db2.gz SQCNIMUXBLGGPT-RPWUZVMVSA-N 1 0 434.530 5.195 50 0 IKAARO Cc1cccc(CNC(=O)c2ccc(C)nc2C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000034725796 555881846 /nfs/dbraw/zinc/88/18/46/555881846.db2.gz SYIKTWKXPJGJLU-UHFFFAOYSA-N 1 0 448.010 5.661 50 0 IKAARO Fc1ccc(N2CC[NH+](CC[C@H](Oc3ccc(Cl)cc3)c3cccs3)CC2)cc1 ZINC000034726898 555882362 /nfs/dbraw/zinc/88/23/62/555882362.db2.gz ZAAMIJHPWINDTD-QFIPXVFZSA-N 1 0 430.976 5.873 50 0 IKAARO Cc1ccc(Cl)c(O[C@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)c2cccs2)c1 ZINC000034726939 555882386 /nfs/dbraw/zinc/88/23/86/555882386.db2.gz WSLWCUREHFNVPW-JOCHJYFZSA-N 1 0 445.003 6.181 50 0 IKAARO COc1cccc([C@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]2CN(CC(C)C)C(C)=O)c1 ZINC000034740272 555883254 /nfs/dbraw/zinc/88/32/54/555883254.db2.gz GIXYHFPBYHIBKI-WIOPSUGQSA-N 1 0 429.004 5.069 50 0 IKAARO Cc1cc(O[C@H](CC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2)ccc1C(C)C ZINC000034740085 555883277 /nfs/dbraw/zinc/88/32/77/555883277.db2.gz ZSMRSGNFXFZAHP-GDLZYMKVSA-N 1 0 428.620 6.451 50 0 IKAARO COc1cccc([C@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2CN(CC(C)C)C(C)=O)c1 ZINC000034740273 555883284 /nfs/dbraw/zinc/88/32/84/555883284.db2.gz GIXYHFPBYHIBKI-RCZVLFRGSA-N 1 0 429.004 5.069 50 0 IKAARO Cc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H](CN(C(=O)C3CCCC3)C(C)C)C2)o1 ZINC000034760538 555904192 /nfs/dbraw/zinc/90/41/92/555904192.db2.gz UGQGMBVZTJYOJV-RDGATRHJSA-N 1 0 426.576 5.370 50 0 IKAARO CC(C)[NH+]1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)C4CCCCC4)cc32)CC1 ZINC000034790563 555916212 /nfs/dbraw/zinc/91/62/12/555916212.db2.gz IVGHXBGHWGGFKU-UHFFFAOYSA-N 1 0 446.595 5.415 50 0 IKAARO CC[NH+](CC)CCOc1ccc([C@@](O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1 ZINC000003875502 555950210 /nfs/dbraw/zinc/95/02/10/555950210.db2.gz SYHDSBBKRLVLFF-HHHXNRCGSA-N 1 0 438.011 5.848 50 0 biogenic,in-man IKAARO COc1cc(C[NH2+]Cc2cccnc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000004398184 555992976 /nfs/dbraw/zinc/99/29/76/555992976.db2.gz GZPLRMDUTFXPEL-UHFFFAOYSA-N 1 0 447.760 5.375 50 0 IKAARO O=C(C1CC[NH+](Cc2ccccc2F)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000004548617 556000537 /nfs/dbraw/zinc/00/05/37/556000537.db2.gz VSRJCXJUBSZGNR-UHFFFAOYSA-N 1 0 430.567 5.309 50 0 IKAARO CCCCCOc1ccccc1NC(=O)OC(CN1CCCCC1)C[NH+]1CCCCC1 ZINC000004566961 556001374 /nfs/dbraw/zinc/00/13/74/556001374.db2.gz LDZAMDIMFYHEHE-UHFFFAOYSA-N 1 0 431.621 5.145 50 0 IKAARO CC(C)[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000004574093 556002079 /nfs/dbraw/zinc/00/20/79/556002079.db2.gz PCNJVSSSPXTRCT-XMMPIXPASA-N 1 0 428.617 5.608 50 0 IKAARO CCCCCOc1ccccc1NC(=O)O[C@H]1[C@@H](C[NH+](CC)CC)[C@@H]2CC[C@H]1CC2(C)C ZINC000004578000 556002674 /nfs/dbraw/zinc/00/26/74/556002674.db2.gz FFYFIZPYPAOCAI-DEJKCJRPSA-N 1 0 444.660 6.587 50 0 IKAARO CCOc1ccc([C@](O)(c2ccccc2OC)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000004867464 556016933 /nfs/dbraw/zinc/01/69/33/556016933.db2.gz ZDJGXDXVDUHJFM-XCZPVHLTSA-N 1 0 431.576 5.209 50 0 IKAARO CC(C)Oc1ccc(C[NH2+]CC[C@@]2(Cc3ccccc3Cl)CCOC(C)(C)C2)cc1 ZINC000005298088 556043869 /nfs/dbraw/zinc/04/38/69/556043869.db2.gz BKLWWQLRSDDEMT-SANMLTNESA-N 1 0 430.032 6.425 50 0 IKAARO CC[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(C)cc1 ZINC000002789234 556139129 /nfs/dbraw/zinc/13/91/29/556139129.db2.gz LFCWKFYAZKYDLW-GOSISDBHSA-N 1 0 444.398 5.560 50 0 IKAARO CC[NH+](CC)CCCN1C(=S)N=NC1c1cccc(COc2ccc(C(C)C)cc2)c1 ZINC000002793386 556144620 /nfs/dbraw/zinc/14/46/20/556144620.db2.gz JOSDBSYIZXJWNS-UHFFFAOYSA-N 1 0 438.641 5.668 50 0 IKAARO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000002795092 556145200 /nfs/dbraw/zinc/14/52/00/556145200.db2.gz FITKBPLAYVCAJC-ZDUSSCGKSA-N 1 0 434.392 5.969 50 0 IKAARO O=C1C2[C@H](c3ccccc3)N[C@@H](c3ccccc3)C1[C@@H](c1ccccc1)[NH2+][C@H]2c1ccccc1 ZINC000008034756 556149488 /nfs/dbraw/zinc/14/94/88/556149488.db2.gz ITTQAMYBEGYMAS-CSXACLAXSA-N 1 0 444.578 5.960 50 0 in-vitro IKAARO CC(C)(C)c1ccc([C@H]([NH+]2CCCCC2)[P@@](=O)(c2ccccc2)N2CCCCC2)cc1 ZINC000008306329 556156377 /nfs/dbraw/zinc/15/63/77/556156377.db2.gz NGUXLPQALAJFEY-NEEKEDPPSA-N 1 0 438.596 6.558 50 0 IKAARO O=C(Nc1ccc2ccccc2c1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000008441577 556176813 /nfs/dbraw/zinc/17/68/13/556176813.db2.gz ZSFLVHFUWQJPKV-UHFFFAOYSA-N 1 0 434.583 6.547 50 0 IKAARO C[C@]12CC3CC([NH2+]Cc4cc(Cl)ccc4OCc4ccccc4F)(C1)C[C@@](C)(C3)C2 ZINC000008534512 556187269 /nfs/dbraw/zinc/18/72/69/556187269.db2.gz TXYXEUMNACRLRU-WNPZUFKQSA-N 1 0 427.991 6.897 50 0 IKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1 ZINC000008636704 556194336 /nfs/dbraw/zinc/19/43/36/556194336.db2.gz OVSUBONNIMCYGQ-UHFFFAOYSA-N 1 0 445.346 5.773 50 0 IKAARO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1c(F)cccc1Cl ZINC000008856392 556227338 /nfs/dbraw/zinc/22/73/38/556227338.db2.gz NUFIELXFXLBACU-UHFFFAOYSA-N 1 0 429.875 5.085 50 0 IKAARO Cc1onc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c1-c1ccccc1Cl ZINC000008914034 556232009 /nfs/dbraw/zinc/23/20/09/556232009.db2.gz HKXCDWJGEAFJLO-UHFFFAOYSA-N 1 0 439.987 5.030 50 0 IKAARO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008914462 556232092 /nfs/dbraw/zinc/23/20/92/556232092.db2.gz BPZFMWSMSUEHFK-UHFFFAOYSA-N 1 0 429.875 5.085 50 0 IKAARO CCOc1cc(C[NH2+]CCCOC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000013721753 556290570 /nfs/dbraw/zinc/29/05/70/556290570.db2.gz YKZZDEIZSCNFIB-UHFFFAOYSA-N 1 0 426.384 5.876 50 0 IKAARO c1ccc(C2=NN(c3ccc(-c4sc5ccccc5[s+]4)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000013739603 556298055 /nfs/dbraw/zinc/29/80/55/556298055.db2.gz NVGHCIBPGRGAEE-VWLOTQADSA-N 1 0 449.624 7.225 50 0 IKAARO O[C@]1(c2ccc(-c3ccccc3)cc2)CN2CCCCCC2=[N+]1c1ccc(OC(F)F)cc1 ZINC000013777641 556307689 /nfs/dbraw/zinc/30/76/89/556307689.db2.gz MHTGZNOXIFKHJL-MHZLTWQESA-N 1 0 449.521 5.605 50 0 IKAARO O[C@@]1(c2ccc(-c3ccccc3)cc2)CN2CCCCCC2=[N+]1c1ccc(OC(F)F)cc1 ZINC000013777639 556307934 /nfs/dbraw/zinc/30/79/34/556307934.db2.gz MHTGZNOXIFKHJL-HHHXNRCGSA-N 1 0 449.521 5.605 50 0 IKAARO Cc1ccc2c(c1)[C@H]1CC(c3ccc(Cl)cc3Cl)=NN1C1(CC[NH+](C(C)C)CC1)O2 ZINC000013788226 556309778 /nfs/dbraw/zinc/30/97/78/556309778.db2.gz CSVYUOYFXBDRLA-JOCHJYFZSA-N 1 0 444.406 6.046 50 0 IKAARO O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)Nc1ccc(Oc2ccccc2)cc1 ZINC000013816565 556314474 /nfs/dbraw/zinc/31/44/74/556314474.db2.gz XGMJSKSWTZUMHX-UHFFFAOYSA-O 1 0 444.942 5.473 50 0 IKAARO O=C(c1cccc(Cl)c1)N1CCC([N@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000009933422 556317038 /nfs/dbraw/zinc/31/70/38/556317038.db2.gz FDWQBVCMFJNQLP-UHFFFAOYSA-N 1 0 432.995 5.690 50 0 IKAARO COc1ccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1OC ZINC000009968682 556318933 /nfs/dbraw/zinc/31/89/33/556318933.db2.gz CNSGHSMGLVDLEC-UHFFFAOYSA-N 1 0 444.575 5.411 50 0 IKAARO CCC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1)c1ccccc1 ZINC000010436333 556334633 /nfs/dbraw/zinc/33/46/33/556334633.db2.gz VRHRIBVDGGWXSF-XMMPIXPASA-N 1 0 428.403 7.512 50 0 IKAARO Cc1nc2sccn2c1CN(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011663869 556344720 /nfs/dbraw/zinc/34/47/20/556344720.db2.gz QMSJPTHWNCOGKN-QFIPXVFZSA-N 1 0 437.657 5.146 50 0 IKAARO COc1ccc2cc(-c3n[nH]cc3C[NH2+][C@@H](c3nc4cc(C)ccc4[nH]3)C(C)C)ccc2c1 ZINC000011664741 556345072 /nfs/dbraw/zinc/34/50/72/556345072.db2.gz GMINVGCOMGNYJS-RUZDIDTESA-N 1 0 439.563 5.910 50 0 IKAARO COc1cc(/C=C/C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)ccc1O ZINC000011701162 556347235 /nfs/dbraw/zinc/34/72/35/556347235.db2.gz WNITYRNEBMGHGR-XGLIRFAXSA-N 1 0 432.520 5.025 50 0 IKAARO CCc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000011764488 556349740 /nfs/dbraw/zinc/34/97/40/556349740.db2.gz DOUKWMQQECUBNC-QFIPXVFZSA-N 1 0 439.563 5.038 50 0 IKAARO COc1ccc(NC(=O)CCC2CC[NH+](CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)c(OC)c1 ZINC000011775532 556350515 /nfs/dbraw/zinc/35/05/15/556350515.db2.gz WRFDJSJKROOXST-UNMCSNQZSA-N 1 0 426.601 5.127 50 0 IKAARO CC(C)[C@H]([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc2c(c1)OCCCO2 ZINC000014014644 556355500 /nfs/dbraw/zinc/35/55/00/556355500.db2.gz QCCQFNPTTFPJRJ-SANMLTNESA-N 1 0 430.548 5.587 50 0 IKAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](COc4ccc(F)cc4)C3)c(C)o2)c(OC)c1 ZINC000011816839 556359587 /nfs/dbraw/zinc/35/95/87/556359587.db2.gz KLQSEJKEUNSWFO-SFHVURJKSA-N 1 0 440.515 5.097 50 0 IKAARO Cc1cc(C)c(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)cc1C ZINC000011818842 556361109 /nfs/dbraw/zinc/36/11/09/556361109.db2.gz HZIYQSBATGNZGL-UHFFFAOYSA-N 1 0 436.987 5.551 50 0 IKAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+]([C@@H](C)Cc2ncccc2C)CC1 ZINC000011820577 556362298 /nfs/dbraw/zinc/36/22/98/556362298.db2.gz HXNNJYIRDXLYIB-IBGZPJMESA-N 1 0 448.529 5.228 50 0 IKAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+]([C@@H](C)Cc2cccc(C)n2)CC1 ZINC000011821399 556362950 /nfs/dbraw/zinc/36/29/50/556362950.db2.gz BUEFEBUWABPCKF-IBGZPJMESA-N 1 0 448.529 5.228 50 0 IKAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)c2cc(C(C)C)no2)CC1 ZINC000011822175 556363294 /nfs/dbraw/zinc/36/32/94/556363294.db2.gz MRYNAPMEVXNHFF-UHFFFAOYSA-N 1 0 446.595 5.056 50 0 IKAARO OCC1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000011839311 556364258 /nfs/dbraw/zinc/36/42/58/556364258.db2.gz WSIJEYIKZYFKPO-UHFFFAOYSA-N 1 0 429.429 5.124 50 0 IKAARO CCCn1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)c1C ZINC000011842702 556365907 /nfs/dbraw/zinc/36/59/07/556365907.db2.gz DYQBWWMEEZQGHA-QFIPXVFZSA-N 1 0 446.595 5.128 50 0 IKAARO O=C(CCCc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000011873765 556369982 /nfs/dbraw/zinc/36/99/82/556369982.db2.gz LXKVUDILTUMATL-UHFFFAOYSA-N 1 0 442.563 5.428 50 0 IKAARO C[C@@H](NC(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1)c1nccs1 ZINC000011873903 556370342 /nfs/dbraw/zinc/37/03/42/556370342.db2.gz NSOIIUSODXGHHU-OAHLLOKOSA-N 1 0 436.021 5.177 50 0 IKAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1)c1ccccc1 ZINC000011935039 556377870 /nfs/dbraw/zinc/37/78/70/556377870.db2.gz COVWIRJVEREMEB-UHFFFAOYSA-N 1 0 448.570 5.544 50 0 IKAARO CCCCc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)[nH]1 ZINC000011936744 556379141 /nfs/dbraw/zinc/37/91/41/556379141.db2.gz AJRCDANKWRYMHK-OAQYLSRUSA-N 1 0 446.595 5.279 50 0 IKAARO CC(=O)c1cccc(C[NH+]2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)c1 ZINC000011945349 556379891 /nfs/dbraw/zinc/37/98/91/556379891.db2.gz ORDASLITCHSRQI-UHFFFAOYSA-N 1 0 426.560 5.715 50 0 IKAARO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3[nH]c4c(cccc4C)c3C)C2)c1 ZINC000011957067 556381099 /nfs/dbraw/zinc/38/10/99/556381099.db2.gz IUYUCVCFLXPBGA-NRFANRHFSA-N 1 0 433.596 5.102 50 0 IKAARO O=C(NCCSc1ccc(Cl)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000014185958 556385719 /nfs/dbraw/zinc/38/57/19/556385719.db2.gz XJOLFSLFFKANRQ-UHFFFAOYSA-N 1 0 437.008 5.420 50 0 IKAARO CCn1nc(C)c(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1C ZINC000012001911 556386004 /nfs/dbraw/zinc/38/60/04/556386004.db2.gz PGLXAQKNYUPMPT-UHFFFAOYSA-N 1 0 434.559 5.177 50 0 IKAARO CSc1ccc(NC(=O)[C@H]2CC23CC[NH+](Cc2cnc(-c4ccccc4)s2)CC3)cc1 ZINC000012020870 556386790 /nfs/dbraw/zinc/38/67/90/556386790.db2.gz CMCPJDYBTMBALF-JOCHJYFZSA-N 1 0 449.645 5.773 50 0 IKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1oc2ccccc2c1COc1ccccc1 ZINC000014190321 556387773 /nfs/dbraw/zinc/38/77/73/556387773.db2.gz VSLSLHZWELYEGV-UHFFFAOYSA-N 1 0 440.543 5.406 50 0 IKAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000012075252 556397182 /nfs/dbraw/zinc/39/71/82/556397182.db2.gz VTNFIWDDMVUJPH-UHFFFAOYSA-N 1 0 445.582 5.278 50 0 IKAARO CCN1CCC([NH+]2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)CC1 ZINC000012076463 556397970 /nfs/dbraw/zinc/39/79/70/556397970.db2.gz VJRJEGLBGBXWAV-UHFFFAOYSA-N 1 0 426.004 5.142 50 0 IKAARO CC(=O)Nc1ccc(C[NH+]2CCC(CCC(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000012076365 556398045 /nfs/dbraw/zinc/39/80/45/556398045.db2.gz CYPWDEKNDXPAGD-UHFFFAOYSA-N 1 0 431.939 5.068 50 0 IKAARO CC[NH+](CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2ccc(F)cc2s1 ZINC000004359450 556409338 /nfs/dbraw/zinc/40/93/38/556409338.db2.gz OUFLBNNTIFQHJU-UHFFFAOYSA-N 1 0 425.573 5.303 50 0 IKAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(C(C)(C)C)cc1 ZINC000032622637 556409966 /nfs/dbraw/zinc/40/99/66/556409966.db2.gz ZIRHHRQTORDJAU-HXUWFJFHSA-N 1 0 425.598 5.514 50 0 IKAARO C[C@H](Cc1cccs1)[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000032836184 556418179 /nfs/dbraw/zinc/41/81/79/556418179.db2.gz RGQOVZZKTQFIKW-OAHLLOKOSA-N 1 0 429.998 5.104 50 0 IKAARO Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027991524 556439986 /nfs/dbraw/zinc/43/99/86/556439986.db2.gz HCYHDSCFQFGOPO-LJQANCHMSA-N 1 0 431.001 6.112 50 0 IKAARO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000027992212 556440401 /nfs/dbraw/zinc/44/04/01/556440401.db2.gz FCIBUBCAIKLQEK-FQEVSTJZSA-N 1 0 441.369 5.379 50 0 IKAARO Clc1ccc(-c2csc3ncnc(NC[C@@H](c4ccccc4)[NH+]4CCCC4)c23)cc1 ZINC000013031178 556442441 /nfs/dbraw/zinc/44/24/41/556442441.db2.gz QWANRNRPGJOGEZ-NRFANRHFSA-N 1 0 434.996 6.261 50 0 IKAARO Cc1cc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCC3)cc(=O)c2cc1C ZINC000028289097 556448797 /nfs/dbraw/zinc/44/87/97/556448797.db2.gz PEFVANLWISBZKQ-QHCPKHFHSA-N 1 0 446.591 5.274 50 0 IKAARO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)[NH+]2CCCCC2)cc1 ZINC000028288932 556448960 /nfs/dbraw/zinc/44/89/60/556448960.db2.gz PXCZHDQEISXTRL-OAQYLSRUSA-N 1 0 438.955 5.020 50 0 IKAARO Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCC3)cc(=O)c2c1 ZINC000028289555 556449222 /nfs/dbraw/zinc/44/92/22/556449222.db2.gz QYRUNJFBJQIXQJ-QHCPKHFHSA-N 1 0 446.591 5.274 50 0 IKAARO Cc1ccc2c(=O)cc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCC3)oc2c1C ZINC000028290370 556449564 /nfs/dbraw/zinc/44/95/64/556449564.db2.gz CTIKNICYOVLSOE-QHCPKHFHSA-N 1 0 446.591 5.274 50 0 IKAARO CCCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCCC1 ZINC000028293072 556450630 /nfs/dbraw/zinc/45/06/30/556450630.db2.gz JXHGUTMLPDRNII-VWLOTQADSA-N 1 0 436.640 6.120 50 0 IKAARO Cc1cc2oc(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)[NH+]3CCCCC3)cc(=O)c2cc1C ZINC000028293042 556450648 /nfs/dbraw/zinc/45/06/48/556450648.db2.gz PUSLXVULACMMEF-DEOSSOPVSA-N 1 0 446.591 5.490 50 0 IKAARO CCc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc32)[NH+]2CCCC2)cc1 ZINC000028293399 556451126 /nfs/dbraw/zinc/45/11/26/556451126.db2.gz UZHZJJMPHBLGFD-GDLZYMKVSA-N 1 0 449.598 6.031 50 0 IKAARO COc1ccc([C@@H](CNc2ncnc3cc(-c4ccc(Cl)cc4)sc32)[NH+](C)C)cc1 ZINC000013070210 556453207 /nfs/dbraw/zinc/45/32/07/556453207.db2.gz APARUZROHWBLCH-HXUWFJFHSA-N 1 0 438.984 5.735 50 0 IKAARO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000014915623 556458486 /nfs/dbraw/zinc/45/84/86/556458486.db2.gz OMLBQSYYAGLYND-OAHLLOKOSA-N 1 0 432.873 6.065 50 0 IKAARO COc1ccccc1C[NH+]1CCC(CCC(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000014949927 556460283 /nfs/dbraw/zinc/46/02/83/556460283.db2.gz IZOVISXYDBNZLX-UHFFFAOYSA-N 1 0 434.502 5.023 50 0 IKAARO CCC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1nnc(-c2cccs2)o1 ZINC000028896708 556463448 /nfs/dbraw/zinc/46/34/48/556463448.db2.gz VCZSSZCIWVURRS-UHFFFAOYSA-N 1 0 439.368 5.346 50 0 IKAARO C/C=C(\C)C[NH+]1CCC(c2nnc(SCc3ccc(F)cc3)n2C[C@@H]2CCCO2)CC1 ZINC000014966328 556465817 /nfs/dbraw/zinc/46/58/17/556465817.db2.gz BNAIMRIFOVURAN-ZGCPUTISSA-N 1 0 444.620 5.034 50 0 IKAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)c2cc(C(C)C)no2)C2CCCC2)CC1 ZINC000014971179 556467185 /nfs/dbraw/zinc/46/71/85/556467185.db2.gz RMPLYPPLRKLKOV-UHFFFAOYSA-N 1 0 437.628 5.446 50 0 IKAARO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@@H+]1CCC[C@H](CN2CCCC2=O)C1 ZINC000014972919 556467304 /nfs/dbraw/zinc/46/73/04/556467304.db2.gz NGRIOSMRYHKEBT-NRFANRHFSA-N 1 0 429.564 5.151 50 0 IKAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cl)s2)CC1 ZINC000014974575 556467994 /nfs/dbraw/zinc/46/79/94/556467994.db2.gz GDHAJPSLBFTUCS-NRFANRHFSA-N 1 0 447.044 5.243 50 0 IKAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)/C=C/c2nc3ccccc3s2)C1 ZINC000014978433 556469660 /nfs/dbraw/zinc/46/96/60/556469660.db2.gz XIUUYZCYAGFKQF-ARKBFRDHSA-N 1 0 433.621 5.031 50 0 IKAARO O=c1c(C[NH2+]C(c2ccccc2)c2ccccc2)cc2ccc(F)cc2n1Cc1ccccn1 ZINC000014984421 556472040 /nfs/dbraw/zinc/47/20/40/556472040.db2.gz ZYJNENHTXUTGFJ-UHFFFAOYSA-N 1 0 449.529 5.463 50 0 IKAARO O=C(CC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)N1CCCC[C@@H]1c1nccs1 ZINC000014991941 556475507 /nfs/dbraw/zinc/47/55/07/556475507.db2.gz UOIYYTHRBJOCPP-VWNXMTODSA-N 1 0 447.604 5.223 50 0 IKAARO C[N@H+](Cc1cccs1)Cc1ccc(OCC[C@H]2CCCCN2C(=O)c2cccnc2)cc1 ZINC000014993396 556476191 /nfs/dbraw/zinc/47/61/91/556476191.db2.gz HTTSLYOTUZRYJU-HSZRJFAPSA-N 1 0 449.620 5.239 50 0 IKAARO Cc1ccsc1C(=O)NC[C@H](C)Oc1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000014999994 556479337 /nfs/dbraw/zinc/47/93/37/556479337.db2.gz MIRIHFBWBVXHFH-NRFANRHFSA-N 1 0 448.632 5.633 50 0 IKAARO COc1ccc([C@@H](CNC(=O)CCCSc2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000013134105 556481979 /nfs/dbraw/zinc/48/19/79/556481979.db2.gz ZAPPWBISYXAEGR-HSZRJFAPSA-N 1 0 447.044 5.564 50 0 IKAARO COc1ccccc1[C@H](CNc1ncnc2scc(-c3ccccc3)c21)[NH+]1CCCC1 ZINC000013137301 556484399 /nfs/dbraw/zinc/48/43/99/556484399.db2.gz FNKXBWUKFHEBTM-NRFANRHFSA-N 1 0 430.577 5.616 50 0 IKAARO COc1ccc(F)c(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000015064567 556492139 /nfs/dbraw/zinc/49/21/39/556492139.db2.gz WMBPBXQHCNXEAE-JOCHJYFZSA-N 1 0 425.592 5.276 50 0 IKAARO C[C@@H]([NH2+]C1CCN(c2cccc(NC(=O)c3ccncc3)c2)CC1)c1ccc(Cl)cc1 ZINC000015068814 556494550 /nfs/dbraw/zinc/49/45/50/556494550.db2.gz YMKUHGQVCWTRDC-GOSISDBHSA-N 1 0 434.971 5.307 50 0 IKAARO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000015070487 556495393 /nfs/dbraw/zinc/49/53/93/556495393.db2.gz AFWCYYWXXRTLNY-GOSISDBHSA-N 1 0 428.960 5.182 50 0 IKAARO COc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(OC)c4)c3)CC2)c1 ZINC000015071926 556496704 /nfs/dbraw/zinc/49/67/04/556496704.db2.gz JTLIGZQHLZLQMS-UHFFFAOYSA-N 1 0 430.548 5.222 50 0 IKAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000015074422 556498449 /nfs/dbraw/zinc/49/84/49/556498449.db2.gz CPESJBJMIGXTRQ-UHFFFAOYSA-N 1 0 436.596 5.098 50 0 IKAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc(CSC(F)F)o2)cc1 ZINC000030804137 556506200 /nfs/dbraw/zinc/50/62/00/556506200.db2.gz DOCNESBIVFGCLX-UHFFFAOYSA-N 1 0 430.520 5.394 50 0 IKAARO COc1ccc(-c2csc3ncnc(NC[C@@H](c4ccc(OC)cc4)[NH+](C)C)c23)cc1 ZINC000015346188 556522688 /nfs/dbraw/zinc/52/26/88/556522688.db2.gz BZXKYCCSISXOKS-NRFANRHFSA-N 1 0 434.565 5.090 50 0 IKAARO Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)c12 ZINC000032902906 556540961 /nfs/dbraw/zinc/54/09/61/556540961.db2.gz WUNRYVJHHFMDTL-UHFFFAOYSA-N 1 0 433.600 5.417 50 0 IKAARO Cc1ccc(C2=C(Cl)/C(=C\C[NH+](C)C)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000013647736 556544516 /nfs/dbraw/zinc/54/45/16/556544516.db2.gz XGYTWGZBVRWFDM-ZDQFFALBSA-N 1 0 433.954 6.754 50 0 IKAARO CC[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000072303035 556547577 /nfs/dbraw/zinc/54/75/77/556547577.db2.gz RDJBNNMAGAXSBV-FQEVSTJZSA-N 1 0 437.971 5.051 50 0 IKAARO Oc1ccccc1C1=NC2(CC[NH+](Cc3ccccc3)CC2)N[C@H](c2ccccc2F)C1 ZINC000015830568 556554605 /nfs/dbraw/zinc/55/46/05/556554605.db2.gz LQDWAUZCWBQYCN-DEOSSOPVSA-N 1 0 429.539 5.047 50 0 IKAARO [NH3+][C@H](Sc1nc(=O)n(-c2ccc(Cl)cc2)c2c1CCC2)c1cccc2ccccc21 ZINC000015840481 556556700 /nfs/dbraw/zinc/55/67/00/556556700.db2.gz WRONZAVJTBZZHL-JOCHJYFZSA-N 1 0 433.964 5.277 50 0 IKAARO COc1ccc(C[NH+]2CCC(C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000015856045 556557596 /nfs/dbraw/zinc/55/75/96/556557596.db2.gz ZUNNAKSFFCVMDD-UHFFFAOYSA-N 1 0 442.603 5.179 50 0 IKAARO CCCNC(=O)COc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000034671866 556580437 /nfs/dbraw/zinc/58/04/37/556580437.db2.gz JLFNDYHABHLFRC-NDEPHWFRSA-N 1 0 428.576 5.048 50 0 IKAARO COc1cccc(C(=O)N2C[C@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000034698013 556580912 /nfs/dbraw/zinc/58/09/12/556580912.db2.gz LCZXMNMMXCACPL-NZQKXSOJSA-N 1 0 446.513 5.056 50 0 IKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](Cc3ccco3)C[C@@H]2c2ccccc2)cc1 ZINC000034698949 556580934 /nfs/dbraw/zinc/58/09/34/556580934.db2.gz DXMBMFXQBCQOND-XNMGPUDCSA-N 1 0 430.592 5.602 50 0 IKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]2c2ccccc2)cc1 ZINC000034698948 556580975 /nfs/dbraw/zinc/58/09/75/556580975.db2.gz DXMBMFXQBCQOND-AHKZPQOWSA-N 1 0 430.592 5.602 50 0 IKAARO CC[N@@H+]1CCC[C@@H]1CN[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000034719601 556581413 /nfs/dbraw/zinc/58/14/13/556581413.db2.gz SUMBPUAQPZQJBA-XLIONFOSSA-N 1 0 439.909 5.113 50 0 IKAARO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000032974944 556596797 /nfs/dbraw/zinc/59/67/97/556596797.db2.gz KHCHRWBGVMVJGC-QHCPKHFHSA-N 1 0 444.623 5.019 50 0 IKAARO CN(C)c1ccc(C2=[NH+]O[C@@H](CN(Cc3cccc(Cl)c3)C(=O)C3CCCC3)C2)cc1 ZINC000037285207 556601404 /nfs/dbraw/zinc/60/14/04/556601404.db2.gz OOIWJBJQDDNYOX-HSZRJFAPSA-N 1 0 439.987 5.118 50 0 IKAARO CN(C)c1ccc(C2=[NH+]O[C@H](CN(Cc3cccc(Cl)c3)C(=O)C3CCCC3)C2)cc1 ZINC000037285206 556601471 /nfs/dbraw/zinc/60/14/71/556601471.db2.gz OOIWJBJQDDNYOX-QHCPKHFHSA-N 1 0 439.987 5.118 50 0 IKAARO CC1CC[NH+]([C@@H](CNC(=O)CCCc2nc3ccccc3s2)c2cccs2)CC1 ZINC000032983115 556601616 /nfs/dbraw/zinc/60/16/16/556601616.db2.gz MWBGADYMMMRAFQ-IBGZPJMESA-N 1 0 427.639 5.270 50 0 IKAARO Cc1ccc(C(=O)N2CCCCC2)c(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000037554274 556604835 /nfs/dbraw/zinc/60/48/35/556604835.db2.gz ASQJHHZCSJAYBB-UHFFFAOYSA-N 1 0 445.529 5.415 50 0 IKAARO O=C(CCCc1nc2ccccc2s1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000032988536 556608776 /nfs/dbraw/zinc/60/87/76/556608776.db2.gz QTMUKPSFQAKAGY-FQEVSTJZSA-N 1 0 428.001 5.226 50 0 IKAARO Clc1ccc(Oc2cccc(C[N@H+](CCc3ccccc3)Cc3ccccc3)c2)cc1 ZINC000016663078 556621232 /nfs/dbraw/zinc/62/12/32/556621232.db2.gz PMFBAQCHJRUNGX-UHFFFAOYSA-N 1 0 427.975 7.377 50 0 IKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000005043134 556626854 /nfs/dbraw/zinc/62/68/54/556626854.db2.gz GJMJQJDSLAXLSZ-UHFFFAOYSA-N 1 0 429.992 5.354 50 0 IKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000005043248 556626864 /nfs/dbraw/zinc/62/68/64/556626864.db2.gz HUCNIQNWHZLKDT-HRAATJIYSA-N 1 0 429.992 5.210 50 0 IKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000005056240 556628025 /nfs/dbraw/zinc/62/80/25/556628025.db2.gz RIWWJAOMOXKEGC-NBHGPNQESA-N 1 0 429.992 5.210 50 0 IKAARO COc1ccc([C@H](C)[NH2+]CC(=O)N(Cc2ccco2)C2=CCCCC2)cc1Br ZINC000016695676 556628775 /nfs/dbraw/zinc/62/87/75/556628775.db2.gz AVYREQUHAFEWKR-INIZCTEOSA-N 1 0 447.373 5.188 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005093847 556633969 /nfs/dbraw/zinc/63/39/69/556633969.db2.gz DUIQVZMYHHJIOJ-NRFANRHFSA-N 1 0 425.960 5.094 50 0 IKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]Cc3cccc4ccccc43)CCC[C@]21C ZINC000016949673 556649911 /nfs/dbraw/zinc/64/99/11/556649911.db2.gz JVRGEFPYXCXEQL-MJSOWUPRSA-N 1 0 425.660 7.763 50 0 IKAARO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1C ZINC000042995863 556660652 /nfs/dbraw/zinc/66/06/52/556660652.db2.gz NUTLXFAIPGMDQC-GOSISDBHSA-N 1 0 431.506 5.308 50 0 IKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccn2C)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000248090522 556661447 /nfs/dbraw/zinc/66/14/47/556661447.db2.gz CDIYKANMJTXJDE-RPLLCQBOSA-N 1 0 429.608 5.100 50 0 IKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2c2ccccc2)cc1 ZINC000248093476 556662386 /nfs/dbraw/zinc/66/23/86/556662386.db2.gz HRYOTVQVQADQEG-XCZPVHLTSA-N 1 0 441.619 5.404 50 0 IKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](Cc3ccoc3)C[C@H]2c2ccccc2)cc1 ZINC000248099166 556664097 /nfs/dbraw/zinc/66/40/97/556664097.db2.gz JCSKEPZSDKRCKX-SVBPBHIXSA-N 1 0 430.592 5.602 50 0 IKAARO COc1ccc([C@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)[NH+]2CCCCCC2)cc1 ZINC000011916628 556673285 /nfs/dbraw/zinc/67/32/85/556673285.db2.gz PZRZICGHCBXCAB-QHCPKHFHSA-N 1 0 445.003 5.078 50 0 IKAARO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@@H]2CCCC[C@H]12 ZINC000248264816 556677558 /nfs/dbraw/zinc/67/75/58/556677558.db2.gz XLGCRVRNEPZDCK-BQDHWQRKSA-N 1 0 445.007 5.074 50 0 IKAARO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@@H]2CCCC[C@@H]12 ZINC000248264817 556677688 /nfs/dbraw/zinc/67/76/88/556677688.db2.gz XLGCRVRNEPZDCK-WPCMGHOJSA-N 1 0 445.007 5.074 50 0 IKAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)c2onc3c2CCCC3)C2CCCC2)CC1 ZINC000426422023 556682435 /nfs/dbraw/zinc/68/24/35/556682435.db2.gz RPYUHDYKUMCTQP-UHFFFAOYSA-N 1 0 449.639 5.201 50 0 IKAARO CCn1c(C[NH3+])nnc1Sc1nc(-c2ccccc2)nc2scc(-c3ccccc3)c21 ZINC000072312233 556686897 /nfs/dbraw/zinc/68/68/97/556686897.db2.gz APFSTDKLEYVMAR-UHFFFAOYSA-N 1 0 444.589 5.247 50 0 IKAARO CSc1cccc(NC(=S)N(CCC[NH+]2CCC(C)CC2)Cc2cccs2)c1 ZINC000013573470 556699128 /nfs/dbraw/zinc/69/91/28/556699128.db2.gz IORUCYJTQKEGAY-UHFFFAOYSA-N 1 0 433.712 5.791 50 0 IKAARO CCn1nc(C)c(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1C ZINC000019300096 556735183 /nfs/dbraw/zinc/73/51/83/556735183.db2.gz NUTLXFAIPGMDQC-SFHVURJKSA-N 1 0 431.506 5.308 50 0 IKAARO Cc1ccc(C[NH+]2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)s1 ZINC000055271614 556739250 /nfs/dbraw/zinc/73/92/50/556739250.db2.gz VIPRBFLHLYDSNR-UHFFFAOYSA-N 1 0 433.017 5.379 50 0 IKAARO CC(=O)c1cccc(CN(Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000055280976 556739407 /nfs/dbraw/zinc/73/94/07/556739407.db2.gz CADMNOJGUZICFO-UHFFFAOYSA-N 1 0 441.619 5.507 50 0 IKAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccc([C@H]3CCCCO3)s2)CC1 ZINC000055358746 556740334 /nfs/dbraw/zinc/74/03/34/556740334.db2.gz PTTRHXDIGJDHOP-JOCHJYFZSA-N 1 0 427.610 5.378 50 0 IKAARO CCCOc1ccc(-c2nc3ccccc3c(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000055501571 556741573 /nfs/dbraw/zinc/74/15/73/556741573.db2.gz YAWIKHNHZJZHIH-UHFFFAOYSA-N 1 0 438.575 5.408 50 0 IKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccc(Cl)c1Cl ZINC000055529436 556741785 /nfs/dbraw/zinc/74/17/85/556741785.db2.gz YQEXLKIGYORUTC-UHFFFAOYSA-N 1 0 440.374 5.568 50 0 IKAARO CCCOc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000055529262 556741848 /nfs/dbraw/zinc/74/18/48/556741848.db2.gz WPLNTSWCUIWUCS-UHFFFAOYSA-N 1 0 429.564 5.050 50 0 IKAARO CC(C)(C)c1cc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(C(C)(C)C)c1O ZINC000055543787 556741983 /nfs/dbraw/zinc/74/19/83/556741983.db2.gz HJZSOWZXYPSABA-UHFFFAOYSA-N 1 0 448.573 6.328 50 0 IKAARO CC(C)(C)c1ccc(C[NH+]2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000019364228 556745716 /nfs/dbraw/zinc/74/57/16/556745716.db2.gz MOYGZHXDRJNJEP-HHHXNRCGSA-N 1 0 433.039 6.545 50 0 world IKAARO C[C@@H](C[NH+](Cc1ccccc1)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1Cl ZINC000057322410 556747112 /nfs/dbraw/zinc/74/71/12/556747112.db2.gz UMOXMVJJAGHDMD-SFHVURJKSA-N 1 0 428.359 6.241 50 0 IKAARO CC(C)Oc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000057254373 556747247 /nfs/dbraw/zinc/74/72/47/556747247.db2.gz KRPNMLFIPGIESJ-UHFFFAOYSA-N 1 0 429.564 5.048 50 0 IKAARO C[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C[N@H+](Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000061967349 556762920 /nfs/dbraw/zinc/76/29/20/556762920.db2.gz LBMQWGLSKLHDSA-FFYRRMKRSA-N 1 0 445.606 7.163 50 0 IKAARO Cc1ccccc1NC1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000058310315 556779550 /nfs/dbraw/zinc/77/95/50/556779550.db2.gz TXPZQQQBRGKCGR-UHFFFAOYSA-N 1 0 434.628 5.868 50 0 IKAARO O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]([NH2+]C1CCCCCCC1)c1ccccc1 ZINC000003325159 556810390 /nfs/dbraw/zinc/81/03/90/556810390.db2.gz GUCFCNIKKNULPZ-OAQYLSRUSA-N 1 0 438.921 6.741 50 0 IKAARO CCC[NH+]1CCN(c2nc(CSc3ccccc3)nc3sc4c(c32)CCCC4)CC1 ZINC000003411935 556814595 /nfs/dbraw/zinc/81/45/95/556814595.db2.gz RJTAHPCSTMGGCS-UHFFFAOYSA-N 1 0 438.666 5.394 50 0 IKAARO CC(C)Oc1ccc([C@@H](CC[NH2+][C@H](C)c2ccc(Cl)cc2)c2ccc(F)cc2)cc1 ZINC000005501240 556820119 /nfs/dbraw/zinc/82/01/19/556820119.db2.gz HWPUVKJLWUXEAN-BCHFMIIMSA-N 1 0 425.975 7.139 50 0 IKAARO CC(=O)c1cc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)cs1 ZINC000064143416 556823197 /nfs/dbraw/zinc/82/31/97/556823197.db2.gz LPPZCECTZLGPFM-QFIPXVFZSA-N 1 0 425.642 5.393 50 0 IKAARO CC1(C)Cc2c3c(ncn4nc(-c5ccc(Cl)cc5Cl)nc34)sc2C(C)(C)[NH2+]1 ZINC000019593634 556829753 /nfs/dbraw/zinc/82/97/53/556829753.db2.gz XLPAFUDGEJGUMV-UHFFFAOYSA-N 1 0 432.380 5.472 50 0 IKAARO O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019596576 556830715 /nfs/dbraw/zinc/83/07/15/556830715.db2.gz OAYRFQJRDCQVAW-UHFFFAOYSA-N 1 0 448.566 6.076 50 0 IKAARO Cc1ncc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)s1 ZINC000067713626 556846280 /nfs/dbraw/zinc/84/62/80/556846280.db2.gz XEDHSXUXODFOCR-UHFFFAOYSA-N 1 0 425.985 5.623 50 0 IKAARO CCn1c2ccccc2nc1CN(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000067786712 556846660 /nfs/dbraw/zinc/84/66/60/556846660.db2.gz SBMNFIOJLLMDJM-UHFFFAOYSA-N 1 0 431.628 5.108 50 0 IKAARO COc1cc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)ccc1F ZINC000067856595 556847214 /nfs/dbraw/zinc/84/72/14/556847214.db2.gz LZKPFKZAURABKJ-QHCPKHFHSA-N 1 0 425.592 5.276 50 0 IKAARO c1cnn(-c2cccc(CN(Cc3cccnc3)C[C@H]3CCC[N@@H+](C4CCCCC4)C3)c2)c1 ZINC000067846711 556847311 /nfs/dbraw/zinc/84/73/11/556847311.db2.gz DNYQGOODPLIZLG-AREMUKBSSA-N 1 0 443.639 5.314 50 0 IKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000033126143 556866760 /nfs/dbraw/zinc/86/67/60/556866760.db2.gz BUINHNVHUDHCBE-VWLOTQADSA-N 1 0 429.608 5.049 50 0 IKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033261086 556898521 /nfs/dbraw/zinc/89/85/21/556898521.db2.gz FEPRFOIARAKWRO-IBGZPJMESA-N 1 0 447.558 5.021 50 0 IKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4ccc(OC)c(OC)c4)CC3)ccc21 ZINC000019781885 556913573 /nfs/dbraw/zinc/91/35/73/556913573.db2.gz SYEJOEKBJARQNW-UHFFFAOYSA-N 1 0 443.591 5.149 50 0 IKAARO COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)c1OC ZINC000019791114 556915263 /nfs/dbraw/zinc/91/52/63/556915263.db2.gz KBELUSAKLZVQFF-KRWDZBQOSA-N 1 0 433.508 5.188 50 0 IKAARO COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)c(C)o2)c1OC ZINC000019791113 556915312 /nfs/dbraw/zinc/91/53/12/556915312.db2.gz KBELUSAKLZVQFF-QGZVFWFLSA-N 1 0 433.508 5.188 50 0 IKAARO Nc1c(Cl)cc([C@@H](O)C[NH2+][C@@H]2c3ccccc3CSc3ccccc32)cc1Cl ZINC000019801897 556917793 /nfs/dbraw/zinc/91/77/93/556917793.db2.gz JQXZAVXODXQBDJ-SIKLNZKXSA-N 1 0 431.388 5.594 50 0 IKAARO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cc4c(cc3Cl)OCO4)C2)c(F)c1 ZINC000019838970 556929217 /nfs/dbraw/zinc/92/92/17/556929217.db2.gz NSGANBICGBUAJI-ZDUSSCGKSA-N 1 0 431.870 5.117 50 0 IKAARO Clc1ccc(-c2csc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000019842871 556930161 /nfs/dbraw/zinc/93/01/61/556930161.db2.gz HATPRLJMKJELOC-UHFFFAOYSA-N 1 0 446.019 6.375 50 0 IKAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000019853676 556931104 /nfs/dbraw/zinc/93/11/04/556931104.db2.gz SQDNSYOYZJOLIH-OAHLLOKOSA-N 1 0 438.320 7.322 50 0 IKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([NH2+]CC5CCCCC5)C4=O)cc3)sc2c1 ZINC000019890033 556938952 /nfs/dbraw/zinc/93/89/52/556938952.db2.gz OBQRXXDGKZFRBC-NRFANRHFSA-N 1 0 433.577 5.074 50 0 IKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)C[NH+]3CCOCC3)c2c(C)c1 ZINC000019901516 556942056 /nfs/dbraw/zinc/94/20/56/556942056.db2.gz AATXPCZOCYBGKG-VWLOTQADSA-N 1 0 440.587 5.285 50 0 IKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)C[NH+]3CCOCC3)c2c(C)c1 ZINC000019901518 556942116 /nfs/dbraw/zinc/94/21/16/556942116.db2.gz AATXPCZOCYBGKG-RUZDIDTESA-N 1 0 440.587 5.285 50 0 IKAARO CCOc1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020083211 556978950 /nfs/dbraw/zinc/97/89/50/556978950.db2.gz OSSRPHQRWXSCLL-UHFFFAOYSA-N 1 0 431.605 5.189 50 0 IKAARO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@@H+]1CCC[C@@H](CN2CCCC2=O)C1 ZINC000020149238 556990661 /nfs/dbraw/zinc/99/06/61/556990661.db2.gz SBPTYAHTDGHEJF-OAQYLSRUSA-N 1 0 445.563 5.277 50 0 IKAARO c1ccc(C(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)c2ccccc2)cc1 ZINC000020166120 556993758 /nfs/dbraw/zinc/99/37/58/556993758.db2.gz WCADAWCJNRQLBH-MUUNZHRXSA-N 1 0 425.620 5.105 50 0 IKAARO Fc1cccc(F)c1-c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000020210174 556998704 /nfs/dbraw/zinc/99/87/04/556998704.db2.gz GRZJBKIQVYSHKH-ZDUSSCGKSA-N 1 0 431.870 5.117 50 0 IKAARO CCCCc1nn2c(nc(C[N@@H+](Cc3ccc(C(C)C)cc3)CC(C)C)cc2=O)s1 ZINC000046032528 557025058 /nfs/dbraw/zinc/02/50/58/557025058.db2.gz ADWQRYRHEDWOLV-UHFFFAOYSA-N 1 0 426.630 5.275 50 0 IKAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055581 557027327 /nfs/dbraw/zinc/02/73/27/557027327.db2.gz MIJILLJNTANAMO-IBGZPJMESA-N 1 0 438.015 5.470 50 0 IKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NCCC(C)C)CC3)cc3ccccc32)c1 ZINC000046055883 557027742 /nfs/dbraw/zinc/02/77/42/557027742.db2.gz DJDLXDMHYKAPOV-UHFFFAOYSA-N 1 0 431.624 5.372 50 0 IKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccco4)CC3)cc3ccccc32)c1 ZINC000046055869 557027823 /nfs/dbraw/zinc/02/78/23/557027823.db2.gz PZAONUHNZKNEMP-UHFFFAOYSA-N 1 0 441.575 5.119 50 0 IKAARO CC[NH+](CC)CCN(C(=O)c1cc(C)ccc1C)c1nc2c(cccc2SC)s1 ZINC000010813232 557029757 /nfs/dbraw/zinc/02/97/57/557029757.db2.gz VNHCYCUMAJXNET-UHFFFAOYSA-N 1 0 427.639 5.624 50 0 IKAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000022936843 557052983 /nfs/dbraw/zinc/05/29/83/557052983.db2.gz BANBPNNLXARKHO-IBGZPJMESA-N 1 0 437.809 5.255 50 0 IKAARO CC(C)[NH+](CCNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)C(C)C ZINC000023053747 557060053 /nfs/dbraw/zinc/06/00/53/557060053.db2.gz KCNPHYLKQJVPCZ-UHFFFAOYSA-N 1 0 427.639 5.437 50 0 IKAARO O=C(Nc1ccccc1)Nc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000048343448 557071341 /nfs/dbraw/zinc/07/13/41/557071341.db2.gz JMSBPJXVSNBOCI-OAQYLSRUSA-N 1 0 428.536 5.181 50 0 IKAARO O=c1c(C[N@H+](CCc2ccccc2)Cc2ccccc2)coc2c(Cl)cc(Cl)cc12 ZINC000023281766 557081754 /nfs/dbraw/zinc/08/17/54/557081754.db2.gz VZPXBPWDCCCJAD-UHFFFAOYSA-N 1 0 438.354 6.345 50 0 IKAARO COc1ccccc1Nc1ncc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c2ccccc21 ZINC000004760927 557092048 /nfs/dbraw/zinc/09/20/48/557092048.db2.gz YFWSXVJQOHMMNY-PMACEKPBSA-N 1 0 446.595 5.085 50 0 IKAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000023689146 557107027 /nfs/dbraw/zinc/10/70/27/557107027.db2.gz CZPXMWTUVSMWAW-UHFFFAOYSA-N 1 0 436.559 5.214 50 0 IKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NC3CCCC3)CC2)cc2ccccc21 ZINC000049535966 557110568 /nfs/dbraw/zinc/11/05/68/557110568.db2.gz GBICBZIPXLCCSY-UHFFFAOYSA-N 1 0 429.608 5.269 50 0 IKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)cc2ccccc21 ZINC000049535970 557110625 /nfs/dbraw/zinc/11/06/25/557110625.db2.gz CRIRYFCNDDQXQS-UHFFFAOYSA-N 1 0 443.635 5.659 50 0 IKAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Oc4ccccc4)cc3)=NN12 ZINC000004812039 557136459 /nfs/dbraw/zinc/13/64/59/557136459.db2.gz UPJNKWWSUFGQSG-RUZDIDTESA-N 1 0 425.532 5.444 50 0 IKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000003142950 557138741 /nfs/dbraw/zinc/13/87/41/557138741.db2.gz UJDINNKEDFGRQP-GOSISDBHSA-N 1 0 441.641 5.120 50 0 IKAARO CC[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(c1nc(-c3ccc(OC)cc3)cs1)[NH2+]2 ZINC000016957501 557158722 /nfs/dbraw/zinc/15/87/22/557158722.db2.gz VJMQHCUMDADTEK-KPAZRMRSSA-N 1 0 425.476 5.072 50 0 IKAARO CC[NH+](CC)CCOc1ccc(/C(=C(\c2ccccc2)[N+](=O)[O-])c2ccc(OC)cc2)cc1 ZINC000095918056 557161231 /nfs/dbraw/zinc/16/12/31/557161231.db2.gz YYSUVHNBAMYSOX-CYYJNZCTSA-N 1 0 446.547 5.609 50 0 IKAARO COc1ccc(/C(=C(/c2ccccc2)[N+](=O)[O-])c2ccc(OCC(C)(C)[NH+](C)C)cc2)cc1 ZINC000095918082 557161298 /nfs/dbraw/zinc/16/12/98/557161298.db2.gz DZQMCUSVYPUXOB-OCEACIFDSA-N 1 0 446.547 5.608 50 0 IKAARO C[C@@](O)(c1ccccc1Cl)[C@H](c1ccc(OCC[NH+]2CCCC2)cc1)c1ccccn1 ZINC000095918063 557161316 /nfs/dbraw/zinc/16/13/16/557161316.db2.gz HFTLWXIJZPQFAT-CLJLJLNGSA-N 1 0 436.983 5.249 50 0 IKAARO COc1cccc(OC2=CC[N@H+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000095918157 557161606 /nfs/dbraw/zinc/16/16/06/557161606.db2.gz BAKZEMODIQFPJI-UHFFFAOYSA-N 1 0 449.541 6.554 50 0 IKAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000024993285 557188338 /nfs/dbraw/zinc/18/83/38/557188338.db2.gz GAJBUBVKRHYJHW-UHFFFAOYSA-N 1 0 437.543 5.534 50 0 IKAARO CCOc1cc(C[NH2+][C@@H]2CCCc3ccccc32)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000025259638 557201541 /nfs/dbraw/zinc/20/15/41/557201541.db2.gz KXTAFIMFQSNPHN-XMMPIXPASA-N 1 0 438.612 5.277 50 0 IKAARO O=C1C2[C@H](c3ccccc3)N[C@@H](c3ccccc3)C1[C@@H](c1ccccc1)[NH2+][C@@H]2c1ccccc1 ZINC000096797835 557205454 /nfs/dbraw/zinc/20/54/54/557205454.db2.gz ITTQAMYBEGYMAS-GEKRJRFOSA-N 1 0 444.578 5.960 50 0 in-vitro IKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000025762620 557224793 /nfs/dbraw/zinc/22/47/93/557224793.db2.gz KXAAKWTUJRULDI-OAQYLSRUSA-N 1 0 430.379 5.737 50 0 IKAARO Cc1c(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)[nH]c2c1C(=O)CCC2 ZINC000026403505 557240743 /nfs/dbraw/zinc/24/07/43/557240743.db2.gz ZXOJNDJMLMTOHI-UHFFFAOYSA-N 1 0 441.575 5.035 50 0 IKAARO Nc1c2c([nH+]c3c1CCCC3)n(Cc1ccccc1)c(-c1ccccc1)c2-c1ccccc1 ZINC000018143568 557242756 /nfs/dbraw/zinc/24/27/56/557242756.db2.gz CCPKQYGFQXIHDO-UHFFFAOYSA-N 1 0 429.567 6.880 50 0 IKAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CSC(c1ccccc1)c1ccccc1 ZINC000026568394 557245062 /nfs/dbraw/zinc/24/50/62/557245062.db2.gz VMYTURBQTYTQEZ-UHFFFAOYSA-N 1 0 445.632 5.208 50 0 IKAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000027332755 557260156 /nfs/dbraw/zinc/26/01/56/557260156.db2.gz ZAKODSQMXMIBJZ-QFIPXVFZSA-N 1 0 446.576 5.015 50 0 IKAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027608313 557267583 /nfs/dbraw/zinc/26/75/83/557267583.db2.gz GJQQXCKMBPIGCS-MRXNPFEDSA-N 1 0 433.936 5.071 50 0 IKAARO C[C@@H](C[NH+]1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1)c1ccccc1 ZINC000014973879 557277839 /nfs/dbraw/zinc/27/78/39/557277839.db2.gz WQPYHIQZIZRSKE-QFIPXVFZSA-N 1 0 430.596 5.285 50 0 IKAARO C(=C\c1ccccc1)\CN1CC[NH+]([C@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000033401101 557334260 /nfs/dbraw/zinc/33/42/60/557334260.db2.gz QKHFYDWHKIPGFA-NZZUKJSHSA-N 1 0 444.622 6.774 50 0 IKAARO COc1ccc([C@@H](OC(=O)c2ccccc2)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004907666 557403262 /nfs/dbraw/zinc/40/32/62/557403262.db2.gz QMRXCZLRIJZFBK-RRPNLBNLSA-N 1 0 429.560 5.863 50 0 IKAARO COc1ccc([C@H](OC(=O)c2ccccc2)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004907672 557403352 /nfs/dbraw/zinc/40/33/52/557403352.db2.gz QMRXCZLRIJZFBK-SXOMAYOGSA-N 1 0 429.560 5.863 50 0 IKAARO CCCCCCc1c(O)nc(SCC[NH+](CCC)CCC)n(-c2ccccc2)c1=O ZINC000102928309 557410455 /nfs/dbraw/zinc/41/04/55/557410455.db2.gz WKCAVRROQPDCMC-UHFFFAOYSA-N 1 0 431.646 5.275 50 0 IKAARO Cc1ccc(OCc2n(C)c3ccccc3[n+]2CC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 ZINC000103167812 557425244 /nfs/dbraw/zinc/42/52/44/557425244.db2.gz YYKZMLDULITNEO-VIICAESSSA-N 1 0 449.615 5.357 50 0 IKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@@H+](C[C@H](C)O)[C@H](C)CC ZINC000105006833 557471740 /nfs/dbraw/zinc/47/17/40/557471740.db2.gz FMQIQCHCXLBRLV-UXHICEINSA-N 1 0 437.584 5.217 50 0 IKAARO CC(C)C(=O)N(C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1c1cccc(F)c1)C(C)C ZINC000105050508 557474740 /nfs/dbraw/zinc/47/47/40/557474740.db2.gz NUMPGQUHOIMTSA-QPPBQGQZSA-N 1 0 430.995 5.588 50 0 IKAARO CC[NH+](CC)CCCNc1ncnc2c1[C@H](c1ccccc1Cl)c1ccc(O)cc1O2 ZINC000044928719 557541107 /nfs/dbraw/zinc/54/11/07/557541107.db2.gz XDFMMYHPRBJNHX-OAQYLSRUSA-N 1 0 438.959 5.265 50 0 IKAARO CCc1cc([C@@H](c2cccc(OC)c2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546281 557591318 /nfs/dbraw/zinc/59/13/18/557591318.db2.gz GQUJPBIMGXTLHG-HSZRJFAPSA-N 1 0 438.593 5.986 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccc(F)c2)N2CCN(C)CC2)c1C ZINC000038546738 557591492 /nfs/dbraw/zinc/59/14/92/557591492.db2.gz YXQRRCLXUFNMHY-OAQYLSRUSA-N 1 0 443.613 5.155 50 0 IKAARO COc1cccc(NC(=O)[C@H]2C[C@@H](c3ccccc3)C[N@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000040424919 557725906 /nfs/dbraw/zinc/72/59/06/557725906.db2.gz DBPHXVFOYLMSPT-RTWAWAEBSA-N 1 0 436.502 5.218 50 0 IKAARO CCOc1cc(N2CC[NH+](C(C)C)CC2)ccc1NC(=O)c1cccc(Cl)c1Cl ZINC000225555496 557741693 /nfs/dbraw/zinc/74/16/93/557741693.db2.gz VYBGLJNNHHEIGL-UHFFFAOYSA-N 1 0 436.383 5.175 50 0 IKAARO C[NH+](CCNc1ccnc2cc(Cl)ccc21)CCNc1ccnc2cc(Cl)ccc21 ZINC000144389735 557840211 /nfs/dbraw/zinc/84/02/11/557840211.db2.gz WDGQVCRQXSYPCW-UHFFFAOYSA-N 1 0 440.378 5.546 50 0 IKAARO CCc1ccc(Sc2cc(C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3n2)cc1 ZINC000002941393 562930946 /nfs/dbraw/zinc/93/09/46/562930946.db2.gz MEKBTQIQSFJGQV-UHFFFAOYSA-N 1 0 447.648 5.800 50 0 IKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cc(Sc3ccc(F)cc3)nc3ccccc32)C1 ZINC000008583230 562949772 /nfs/dbraw/zinc/94/97/72/562949772.db2.gz LOKUFWAMTJUEKD-GOSISDBHSA-N 1 0 437.584 5.377 50 0 IKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000008587630 562950369 /nfs/dbraw/zinc/95/03/69/562950369.db2.gz UTGAZEBKEMOYDD-KRWDZBQOSA-N 1 0 442.028 5.967 50 0 aggregator IKAARO O=C(NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)Nc1cc(Cl)ccc1Cl ZINC000008593880 562952919 /nfs/dbraw/zinc/95/29/19/562952919.db2.gz KBZFHKMSRODRDU-UHFFFAOYSA-N 1 0 426.775 5.681 50 0 IKAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)Nc3ccc(Br)cc3F)CC2)c1 ZINC000008593916 562952933 /nfs/dbraw/zinc/95/29/33/562952933.db2.gz VPVBRPZCLWKVIY-UHFFFAOYSA-N 1 0 448.380 5.239 50 0 IKAARO CCc1ccccc1Nc1cc(C(=O)NCCC[N@H+](C)C2CCCCC2)c2ccccc2n1 ZINC000008595361 562953398 /nfs/dbraw/zinc/95/33/98/562953398.db2.gz WDEYVLOWARINKQ-UHFFFAOYSA-N 1 0 444.623 5.925 50 0 IKAARO Cc1ccccc1C[NH+]1CCC(CNc2ncnc3onc(-c4ccc(Cl)cc4)c32)CC1 ZINC000008595497 562953561 /nfs/dbraw/zinc/95/35/61/562953561.db2.gz WCUZZWKJRAGGSH-UHFFFAOYSA-N 1 0 447.970 5.571 50 0 IKAARO CC[NH+]1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000008619116 562959807 /nfs/dbraw/zinc/95/98/07/562959807.db2.gz CDPCTWWOSHPLPU-UHFFFAOYSA-N 1 0 435.490 5.232 50 0 IKAARO C[NH+](C)CCCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2ccc(Cl)cc2s1 ZINC000008683815 562961994 /nfs/dbraw/zinc/96/19/94/562961994.db2.gz QRLKDFRBQFZOLB-UHFFFAOYSA-N 1 0 428.001 5.427 50 0 IKAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000008717691 562963807 /nfs/dbraw/zinc/96/38/07/562963807.db2.gz RDGLRJQFIWPFIA-LJQANCHMSA-N 1 0 446.776 5.068 50 0 IKAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000008717690 562963820 /nfs/dbraw/zinc/96/38/20/562963820.db2.gz RDGLRJQFIWPFIA-IBGZPJMESA-N 1 0 446.776 5.068 50 0 IKAARO Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCCCC2)n3C)c1 ZINC000009242914 562968415 /nfs/dbraw/zinc/96/84/15/562968415.db2.gz OWHDVIBZBONORH-UHFFFAOYSA-N 1 0 448.611 5.051 50 0 IKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000009397106 562969996 /nfs/dbraw/zinc/96/99/96/562969996.db2.gz XXMRRDBZMDAOOR-NRFANRHFSA-N 1 0 440.385 5.193 50 0 IKAARO Cc1nc2cc(NC(=O)[C@@H]3CC34CC[NH+](Cc3ccc(O)c(Cl)c3)CC4)ccc2s1 ZINC000011782731 562979195 /nfs/dbraw/zinc/97/91/95/562979195.db2.gz KDSKKFPBFBSYSI-KRWDZBQOSA-N 1 0 441.984 5.205 50 0 IKAARO Cc1ccc2nc(Cl)c3cc(C(=O)N(CC[NH+](C)C)Cc4ccco4)sc3c2c1 ZINC000013118735 562984669 /nfs/dbraw/zinc/98/46/69/562984669.db2.gz GZVKFJBGMUZJMD-UHFFFAOYSA-N 1 0 427.957 5.208 50 0 IKAARO CCn1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)c1C ZINC000014949068 563015564 /nfs/dbraw/zinc/01/55/64/563015564.db2.gz PZHQTEVQGUAXTM-QFIPXVFZSA-N 1 0 441.579 5.210 50 0 IKAARO CCCCc1ccc(C(=O)Nc2ccc3nc(N4CC[NH+](CC)CC4)cc(C)c3c2)cc1 ZINC000020108587 563023716 /nfs/dbraw/zinc/02/37/16/563023716.db2.gz VERXMSNVBNWROJ-UHFFFAOYSA-N 1 0 430.596 5.280 50 0 IKAARO O=C(CCC1CC[NH+](Cc2cccc3ccccc32)CC1)N1CCN(c2ccccc2)CC1 ZINC000015067657 568635328 /nfs/dbraw/zinc/63/53/28/568635328.db2.gz RUZPLTBPPCNTHO-UHFFFAOYSA-N 1 0 441.619 5.181 50 0 IKAARO COc1ccc(C(=O)Nc2sc(C)c(C)c2C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000000937993 568639161 /nfs/dbraw/zinc/63/91/61/568639161.db2.gz VPNUQWGZHVZBRV-UHFFFAOYSA-N 1 0 448.632 6.081 50 0 IKAARO O=C(c1csc2ccccc12)N1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000025144005 568640747 /nfs/dbraw/zinc/64/07/47/568640747.db2.gz ZSTMZGDPVLPLMB-UHFFFAOYSA-N 1 0 438.596 5.547 50 0 IKAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(OCc4ccc(Cl)cc4)cc3)c2c1 ZINC000000949570 568644376 /nfs/dbraw/zinc/64/43/76/568644376.db2.gz WAQBYNWZXJMWDT-UHFFFAOYSA-N 1 0 432.907 6.306 50 0 IKAARO COc1cc(C[NH2+][C@H](C)c2ccccn2)cc(Br)c1OCc1ccccc1 ZINC000025358889 568654604 /nfs/dbraw/zinc/65/46/04/568654604.db2.gz DESOZMNQRVQKIS-MRXNPFEDSA-N 1 0 427.342 5.283 50 0 IKAARO CCC[C@H](C)[NH2+][C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)c1ccccc1 ZINC000025388179 568655706 /nfs/dbraw/zinc/65/57/06/568655706.db2.gz CCDWAUMLYUPPOD-HOIFWPIMSA-N 1 0 442.625 5.508 50 0 IKAARO O=C(C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1)N1CCc2ccccc2C1 ZINC000001179482 568735890 /nfs/dbraw/zinc/73/58/90/568735890.db2.gz VYRFVOJNHYJOTF-UHFFFAOYSA-N 1 0 440.587 5.063 50 0 IKAARO Cc1ccc([C@H](CC[NH2+]Cc2ccc(OC(C)C)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001830590 568741759 /nfs/dbraw/zinc/74/17/59/568741759.db2.gz FRPNQBNPDZCRET-LJAQVGFWSA-N 1 0 431.620 6.881 50 0 biogenic IKAARO O[C@H](CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3)C[NH+]1CCCCCC1 ZINC000001248814 568774943 /nfs/dbraw/zinc/77/49/43/568774943.db2.gz FVTKUMLHMGZMOF-RBJSKKJNSA-N 1 0 449.683 5.619 50 0 biogenic IKAARO Cc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3C23CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000001381951 568783812 /nfs/dbraw/zinc/78/38/12/568783812.db2.gz DMJZRUYZCVDFMF-UHFFFAOYSA-N 1 0 449.598 5.666 50 0 IKAARO C[C@@H](NC(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1)c1ccccc1 ZINC000004670395 568790081 /nfs/dbraw/zinc/79/00/81/568790081.db2.gz WWKISNBPANMMPB-JOCHJYFZSA-N 1 0 428.576 5.355 50 0 IKAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000015678371 568804770 /nfs/dbraw/zinc/80/47/70/568804770.db2.gz HQJZEVCWKAWIPL-VXKWHMMOSA-N 1 0 449.614 5.531 50 0 IKAARO Cc1ccccc1Cn1cc(CCC(=O)NCCC[N@H+]2[C@H](C)CCC[C@@H]2C)c2ccccc21 ZINC000015678427 568805202 /nfs/dbraw/zinc/80/52/02/568805202.db2.gz FXJSUQSZYLNGIQ-PSWAGMNNSA-N 1 0 445.651 5.700 50 0 IKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc3cc4cc(C)ccc4nc3o2)cc1 ZINC000085393308 568817177 /nfs/dbraw/zinc/81/71/77/568817177.db2.gz VWDQUWMAJSSHGE-UHFFFAOYSA-N 1 0 445.519 5.040 50 0 IKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)c1C ZINC000001448861 568817427 /nfs/dbraw/zinc/81/74/27/568817427.db2.gz FGCTXABKSPVAJP-OAQYLSRUSA-N 1 0 428.985 6.439 50 0 IKAARO COc1ccccc1[C@H](c1oc2ccccc2c1NC(=O)c1ccccc1)[NH+]1CCCCC1 ZINC000015859469 568847706 /nfs/dbraw/zinc/84/77/06/568847706.db2.gz XDOPAGUHDXTKML-AREMUKBSSA-N 1 0 440.543 6.269 50 0 IKAARO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000015859567 568847766 /nfs/dbraw/zinc/84/77/66/568847766.db2.gz UKGMMNRPSANBKH-MHZLTWQESA-N 1 0 438.571 6.815 50 0 IKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3cccc(C)c3)oc1C)[C@@H]2c1ccccc1 ZINC000015864863 568850357 /nfs/dbraw/zinc/85/03/57/568850357.db2.gz NSRSCNOXAQWSQX-AREMUKBSSA-N 1 0 442.628 7.038 50 0 IKAARO CC1CCN(C(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccc(F)cc3)CC2)CC1 ZINC000015865847 568850557 /nfs/dbraw/zinc/85/05/57/568850557.db2.gz QVZFOQKSLSNIJN-UHFFFAOYSA-N 1 0 447.598 5.299 50 0 IKAARO CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)COc3ccccc3C)ccc21 ZINC000026121569 568852476 /nfs/dbraw/zinc/85/24/76/568852476.db2.gz ARKNQUDUEMRIDC-UHFFFAOYSA-N 1 0 434.584 5.004 50 0 IKAARO CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC([NH+]5CCCC5)=CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000248273987 568855322 /nfs/dbraw/zinc/85/53/22/568855322.db2.gz RGRNUVRIJBGXEL-FCEQJLOWSA-N 1 0 439.772 8.697 50 0 IKAARO C[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc21)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000006182378 568869567 /nfs/dbraw/zinc/86/95/67/568869567.db2.gz GXFLAVSLENXMFS-CJAUYULYSA-N 1 0 442.588 5.314 50 0 IKAARO C[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc21)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000006182242 568869605 /nfs/dbraw/zinc/86/96/05/568869605.db2.gz GXFLAVSLENXMFS-AVRWGWEMSA-N 1 0 442.588 5.314 50 0 IKAARO C=C/C=C\C(=C/C)c1cn(-c2ccc(C)cc2)c2ncnc(NCc3ccc(OC)cc3)c12 ZINC000026580398 568886037 /nfs/dbraw/zinc/88/60/37/568886037.db2.gz PHPIGQXZGBNOFF-GHGRUSQESA-N 1 0 436.559 6.495 50 0 IKAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(OCc4ccc(Cl)cc4)cc3)c2c1 ZINC000001775588 568906505 /nfs/dbraw/zinc/90/65/05/568906505.db2.gz IGOZVZGOKYOBES-UHFFFAOYSA-N 1 0 446.934 6.696 50 0 IKAARO O=C(C[NH2+]Cc1ccc(F)cc1)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl ZINC000016528268 568920613 /nfs/dbraw/zinc/92/06/13/568920613.db2.gz MMXRXKMVDDEWDR-QFIPXVFZSA-N 1 0 449.378 5.458 50 0 IKAARO COc1ccccc1[C@H](CC[NH2+]Cc1ccc(OC(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000002133807 568924955 /nfs/dbraw/zinc/92/49/55/568924955.db2.gz VYGPHQDHZIAWRN-HSZRJFAPSA-N 1 0 433.548 5.523 50 0 biogenic IKAARO CC(C)CCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000064593989 568936166 /nfs/dbraw/zinc/93/61/66/568936166.db2.gz DTUJFRQJYPEFLI-UHFFFAOYSA-N 1 0 435.587 5.203 50 0 IKAARO CN(Cc1ccccc1Cl)N1c2ccccc2[C@](CCC[NH+](C)C)(c2ccccc2)C1=O ZINC000031880600 568937656 /nfs/dbraw/zinc/93/76/56/568937656.db2.gz VFIRCPLYLNAYJS-MHZLTWQESA-N 1 0 448.010 5.362 50 0 IKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21 ZINC000064657755 568942339 /nfs/dbraw/zinc/94/23/39/568942339.db2.gz JQQZIMMGJFFVMD-QGZVFWFLSA-N 1 0 430.017 5.404 50 0 IKAARO CCCCn1c(-c2ccc(OCC)cc2)c[nH+]c1NCc1cc(OC)c(O)c(OC)c1 ZINC000006721483 568962706 /nfs/dbraw/zinc/96/27/06/568962706.db2.gz VUFKENQKUZJEQL-UHFFFAOYSA-N 1 0 425.529 5.084 50 0 IKAARO COc1ccc(C[N@H+](Cc2ccc(C(O)(c3ccccc3)c3ccccc3)o2)C2CC2)cc1 ZINC000036156171 568965235 /nfs/dbraw/zinc/96/52/35/568965235.db2.gz MZASJXQWATXLTD-UHFFFAOYSA-N 1 0 439.555 5.737 50 0 IKAARO CC(C)[N@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccc(F)cc1 ZINC000036167743 568968472 /nfs/dbraw/zinc/96/84/72/568968472.db2.gz UWTOINWGQOLXRY-UHFFFAOYSA-N 1 0 441.593 6.237 50 0 IKAARO CC(C)CC(=O)N(CC[NH+](C)C)Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1 ZINC000036249556 568983768 /nfs/dbraw/zinc/98/37/68/568983768.db2.gz KPVRZCRNEKTWCO-UHFFFAOYSA-N 1 0 440.632 5.047 50 0 IKAARO Cc1ccc(C)c(NC(=O)[C@H](NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)c1 ZINC000006787969 568986026 /nfs/dbraw/zinc/98/60/26/568986026.db2.gz ZMDKOQZOTYNUEF-HHHXNRCGSA-N 1 0 427.592 5.237 50 0 IKAARO COc1cccc([C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000169679932 568990595 /nfs/dbraw/zinc/99/05/95/568990595.db2.gz FTEMDHPRYDJKCC-QPPBQGQZSA-N 1 0 428.642 5.113 50 0 IKAARO CC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000169680071 568990853 /nfs/dbraw/zinc/99/08/53/568990853.db2.gz KBCMZDMWWUAEON-FPOVZHCZSA-N 1 0 437.584 5.259 50 0 IKAARO CC(=O)N(C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000169679896 568991322 /nfs/dbraw/zinc/99/13/22/568991322.db2.gz ZNWDLHREOQWNNJ-UKILVPOCSA-N 1 0 440.578 5.670 50 0 IKAARO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](C)O)CC1CC1 ZINC000036301832 568994101 /nfs/dbraw/zinc/99/41/01/568994101.db2.gz HOYMASIGWFVPRU-QGZVFWFLSA-N 1 0 425.960 5.219 50 0 IKAARO CCC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036305120 568994935 /nfs/dbraw/zinc/99/49/35/568994935.db2.gz MKIMOVFFRNCJCS-NRFANRHFSA-N 1 0 439.987 5.658 50 0 IKAARO C[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305233 568994954 /nfs/dbraw/zinc/99/49/54/568994954.db2.gz YXWFEPOFDRIDNC-QGZVFWFLSA-N 1 0 425.960 5.126 50 0 IKAARO CC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305224 568994998 /nfs/dbraw/zinc/99/49/98/568994998.db2.gz LOJBANWOJCUDGX-OAQYLSRUSA-N 1 0 439.987 5.516 50 0 IKAARO CCC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C(C)C ZINC000036306092 568995351 /nfs/dbraw/zinc/99/53/51/568995351.db2.gz CKEUJNXPJXTBFR-NRFANRHFSA-N 1 0 437.584 5.259 50 0 IKAARO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000036313723 568998738 /nfs/dbraw/zinc/99/87/38/568998738.db2.gz HGHSNCLWEMCHAT-QHCPKHFHSA-N 1 0 449.595 5.497 50 0 IKAARO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC(C)C ZINC000036342026 569079600 /nfs/dbraw/zinc/07/96/00/569079600.db2.gz QYUPAUDVHFIHRO-QFIPXVFZSA-N 1 0 425.548 5.341 50 0 IKAARO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)CC(C)C ZINC000036341944 569079636 /nfs/dbraw/zinc/07/96/36/569079636.db2.gz YYOQSUYPECHQKI-QFIPXVFZSA-N 1 0 442.003 5.855 50 0 IKAARO CCOc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000036344132 569080099 /nfs/dbraw/zinc/08/00/99/569080099.db2.gz HGWCOMGSXAELGF-SANMLTNESA-N 1 0 433.596 5.112 50 0 IKAARO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036346014 569080822 /nfs/dbraw/zinc/08/08/22/569080822.db2.gz LLANFBRWELVTCH-JOCHJYFZSA-N 1 0 437.559 5.628 50 0 IKAARO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345875 569080860 /nfs/dbraw/zinc/08/08/60/569080860.db2.gz DHWZOXLYFRLZFF-DEOSSOPVSA-N 1 0 433.596 5.797 50 0 IKAARO CCC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346055 569080883 /nfs/dbraw/zinc/08/08/83/569080883.db2.gz DAVJEDFZINCMAO-NRFANRHFSA-N 1 0 425.548 5.485 50 0 IKAARO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346328 569081226 /nfs/dbraw/zinc/08/12/26/569081226.db2.gz CGWWVPRBYLKCMS-HSZRJFAPSA-N 1 0 437.559 5.628 50 0 IKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)CC ZINC000036346753 569081467 /nfs/dbraw/zinc/08/14/67/569081467.db2.gz FMNWOGPFRLXQRH-OAQYLSRUSA-N 1 0 429.511 5.234 50 0 IKAARO CCOc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347885 569081728 /nfs/dbraw/zinc/08/17/28/569081728.db2.gz ODCXNTASJADNBN-LJAQVGFWSA-N 1 0 438.571 6.674 50 0 IKAARO Cn1cc(C[NH+]2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)c2cc(Cl)ccc21 ZINC000065060085 569095725 /nfs/dbraw/zinc/09/57/25/569095725.db2.gz PJJCDOFGDDHXMH-DEOSSOPVSA-N 1 0 435.999 5.238 50 0 IKAARO CC(C)[C@H](NC(=O)C1CC[NH+](Cc2cn(C)c3ccc(Cl)cc23)CC1)c1cccs1 ZINC000065060078 569095745 /nfs/dbraw/zinc/09/57/45/569095745.db2.gz ZAAWFRXVOOPXHA-QHCPKHFHSA-N 1 0 444.044 5.619 50 0 IKAARO CCc1ccc(NC(=O)N(Cc2ccc(C)o2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000006877650 569096170 /nfs/dbraw/zinc/09/61/70/569096170.db2.gz HDWBROGLZUGEJK-UHFFFAOYSA-N 1 0 431.580 5.849 50 0 IKAARO Cc1ccc(CN(C(=O)Nc2cc(C)ccc2C)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000006877652 569096188 /nfs/dbraw/zinc/09/61/88/569096188.db2.gz SEZUSOIXZCNKPL-UHFFFAOYSA-N 1 0 431.580 5.904 50 0 IKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1 ZINC000006913226 569106898 /nfs/dbraw/zinc/10/68/98/569106898.db2.gz PUPCOGGUMHUMBM-VWLOTQADSA-N 1 0 431.624 5.691 50 0 IKAARO CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21 ZINC000065322252 569136605 /nfs/dbraw/zinc/13/66/05/569136605.db2.gz LPXGYBZLCOGXIT-UHFFFAOYSA-N 1 0 434.584 5.004 50 0 IKAARO Cc1ccc2cc3cc(C(=O)NCC4CC[NH+](Cc5cccc(F)c5)CC4)oc3nc2c1 ZINC000065331030 569137174 /nfs/dbraw/zinc/13/71/74/569137174.db2.gz YWBRTBUEZJJIAU-UHFFFAOYSA-N 1 0 431.511 5.071 50 0 IKAARO Cc1ccc2cc3cc(C(=O)NCC4CC[NH+](Cc5ccccc5C)CC4)oc3nc2c1 ZINC000065331027 569137237 /nfs/dbraw/zinc/13/72/37/569137237.db2.gz PPYJQFWRMJJRBX-UHFFFAOYSA-N 1 0 427.548 5.240 50 0 IKAARO Cc1ccc(NC(=O)c2ccc(CSc3ccccc3)o2)cc1N1CC[C@H]([NH+](C)C)C1 ZINC000170596027 569141539 /nfs/dbraw/zinc/14/15/39/569141539.db2.gz SHFYQHHOVIFPMG-FQEVSTJZSA-N 1 0 435.593 5.273 50 0 IKAARO C[NH+](C)CCN(C(=O)c1ccc(C2SCCS2)cc1)c1cccc(Cl)c1Cl ZINC000170610487 569145055 /nfs/dbraw/zinc/14/50/55/569145055.db2.gz HKCDQHWFNIDIIA-UHFFFAOYSA-N 1 0 441.449 5.680 50 0 IKAARO COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000037279980 569145680 /nfs/dbraw/zinc/14/56/80/569145680.db2.gz VOQYRDAZZRHGOE-UHFFFAOYSA-N 1 0 436.502 5.285 50 0 IKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(OC)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000037279966 569145694 /nfs/dbraw/zinc/14/56/94/569145694.db2.gz YIVIPXFWEGHHSD-UHFFFAOYSA-N 1 0 448.538 5.154 50 0 IKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000037279962 569145700 /nfs/dbraw/zinc/14/57/00/569145700.db2.gz IAZIUALNYOTJQL-UHFFFAOYSA-N 1 0 436.502 5.285 50 0 IKAARO COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000037279982 569145709 /nfs/dbraw/zinc/14/57/09/569145709.db2.gz KMVPILBMNMCSQO-UHFFFAOYSA-N 1 0 436.502 5.285 50 0 IKAARO Cc1ccc(N(C2CC[NH+](Cc3cccc(C)c3)CC2)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000037280055 569145761 /nfs/dbraw/zinc/14/57/61/569145761.db2.gz LZGBPPCEYGYEPK-UHFFFAOYSA-N 1 0 448.632 5.472 50 0 IKAARO COc1ccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000037280008 569145834 /nfs/dbraw/zinc/14/58/34/569145834.db2.gz ZUXSDDQKIVLRAF-UHFFFAOYSA-N 1 0 428.576 5.623 50 0 IKAARO COc1ccccc1C[NH+]1CCC(N(C(=O)c2ccc(F)cc2)c2ccc(C)cc2)CC1 ZINC000037280026 569145839 /nfs/dbraw/zinc/14/58/39/569145839.db2.gz KHPDUCOEUOEBAA-UHFFFAOYSA-N 1 0 432.539 5.454 50 0 IKAARO O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000013320548 569154987 /nfs/dbraw/zinc/15/49/87/569154987.db2.gz RXBKTWWYFUYFIM-UHFFFAOYSA-N 1 0 447.888 5.862 50 0 IKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)C1 ZINC000251180152 569158202 /nfs/dbraw/zinc/15/82/02/569158202.db2.gz RIWWJAOMOXKEGC-LRQRDZAKSA-N 1 0 429.992 5.210 50 0 IKAARO CC1CC[NH+]([C@H](CNC(=O)c2ccc(C3SCCS3)cc2)c2cccs2)CC1 ZINC000014515270 569159199 /nfs/dbraw/zinc/15/91/99/569159199.db2.gz WQICALADWCGFAS-LJQANCHMSA-N 1 0 432.680 5.430 50 0 IKAARO CSc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCC(C)CC2)cc1 ZINC000016993895 569169796 /nfs/dbraw/zinc/16/97/96/569169796.db2.gz BGUXMORKXSNTDX-DEOSSOPVSA-N 1 0 438.593 5.047 50 0 IKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](CCc1ccccc1)c1cn(C)c2ccccc12 ZINC000037380849 569191847 /nfs/dbraw/zinc/19/18/47/569191847.db2.gz LCHFTYJLBAXNGF-UKILVPOCSA-N 1 0 447.667 5.912 50 0 IKAARO Cc1ccc(C(=O)NCC2CCCCC2)c(C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000037554269 569200437 /nfs/dbraw/zinc/20/04/37/569200437.db2.gz JMMNFGVCMPPXQK-UHFFFAOYSA-N 1 0 447.667 6.203 50 0 IKAARO Cc1ccc(C(=O)NCC(C)C)c(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000037554348 569200484 /nfs/dbraw/zinc/20/04/84/569200484.db2.gz OWUBPWIJEABJDP-UHFFFAOYSA-N 1 0 433.518 5.174 50 0 IKAARO COc1ccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000037559984 569200864 /nfs/dbraw/zinc/20/08/64/569200864.db2.gz OJWHFFLHGNKYOV-UHFFFAOYSA-N 1 0 428.576 5.623 50 0 IKAARO COc1ccc(C(=O)N(c2ccc(OC)cc2)C2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000037559968 569200895 /nfs/dbraw/zinc/20/08/95/569200895.db2.gz UOEVEVYTBDXNLS-UHFFFAOYSA-N 1 0 448.538 5.154 50 0 IKAARO COc1ccc(C(=O)N(c2cccc(OC)c2)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000037560114 569200902 /nfs/dbraw/zinc/20/09/02/569200902.db2.gz MMRSJXIHLOZZID-UHFFFAOYSA-N 1 0 444.575 5.324 50 0 IKAARO COc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000037559433 569200973 /nfs/dbraw/zinc/20/09/73/569200973.db2.gz WAKOUHAEKKBNCH-UHFFFAOYSA-N 1 0 448.538 5.154 50 0 IKAARO CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000037580722 569202012 /nfs/dbraw/zinc/20/20/12/569202012.db2.gz NXQWPAASRFTQTI-UHFFFAOYSA-N 1 0 434.530 5.839 50 0 IKAARO C[C@@H]1CC[C@@]2(C)[C@H]3C[C@@H]4[C@@H](CC[C@@H]5[C@@H]4C[N@@H+]4C[C@H](C)CC[C@@H]4[C@]5(C)O)[C@H]3CC(=O)[C@H]2C1 ZINC000252640379 569208609 /nfs/dbraw/zinc/20/86/09/569208609.db2.gz YSOKTNCRCPDOCA-HULFCKJFSA-N 1 0 427.673 5.162 50 0 IKAARO CCCCCOc1ccccc1NC(=O)O[C@@H]1[C@H]2CC[C@@H]([C@H]1C[NH+](CC)CC)C(C)(C)C2 ZINC000254444037 569273833 /nfs/dbraw/zinc/27/38/33/569273833.db2.gz FFYFIZPYPAOCAI-XOEOCAAJSA-N 1 0 444.660 6.587 50 0 IKAARO CC1CC[NH+]([C@H](CNC(=O)CCc2ncc(-c3ccccc3F)o2)c2cccs2)CC1 ZINC000027575201 569273905 /nfs/dbraw/zinc/27/39/05/569273905.db2.gz FVOCUZQUCNMMBJ-HXUWFJFHSA-N 1 0 441.572 5.064 50 0 IKAARO CC1=C(CC[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3C)CC2)C(C)(C)CCC1 ZINC000299769734 569283719 /nfs/dbraw/zinc/28/37/19/569283719.db2.gz RPYKQYZNUQTSIR-FQEVSTJZSA-N 1 0 432.678 5.182 50 0 IKAARO CC[NH+](CC)CCCNc1ncnc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000002422415 569302061 /nfs/dbraw/zinc/30/20/61/569302061.db2.gz IQPBVLBFDQSWJP-UHFFFAOYSA-N 1 0 431.609 5.539 50 0 IKAARO COc1ccc(-c2csc3ncnc(NC[C@@H](c4ccco4)[NH+]4CCCCC4)c23)cc1 ZINC000013095514 569309471 /nfs/dbraw/zinc/30/94/71/569309471.db2.gz HYPPXJZJXADJLG-FQEVSTJZSA-N 1 0 434.565 5.599 50 0 IKAARO Fc1ccc(Br)cc1C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000078710803 569318359 /nfs/dbraw/zinc/31/83/59/569318359.db2.gz XLIKIRSLANICMA-UHFFFAOYSA-N 1 0 443.154 5.146 50 0 IKAARO Cc1cccc(-c2cc(N3CC[NH+](C)CC3)nc(SCc3ccc(Cl)cc3)n2)c1 ZINC000019822024 569330054 /nfs/dbraw/zinc/33/00/54/569330054.db2.gz ISCIGYJSTBHLLB-UHFFFAOYSA-N 1 0 425.001 5.150 50 0 IKAARO CCCCCC[C@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020034596 569332644 /nfs/dbraw/zinc/33/26/44/569332644.db2.gz UXTNEBZBEZFKGG-SVBPBHIXSA-N 1 0 425.613 5.359 50 0 IKAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)C1 ZINC000020116431 569335089 /nfs/dbraw/zinc/33/50/89/569335089.db2.gz ZROUVUQPTDRFQM-INIZCTEOSA-N 1 0 428.001 5.469 50 0 IKAARO CCCC1=Nc2cc(C(=O)N3CCC([NH+]4CCCCC4)CC3)ccc2Sc2ccccc21 ZINC000020179019 569354760 /nfs/dbraw/zinc/35/47/60/569354760.db2.gz IBBYIDCAHVCNST-UHFFFAOYSA-N 1 0 447.648 6.163 50 0 IKAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)c1ccc(C(C)(C)C)cc1 ZINC000094992819 569355748 /nfs/dbraw/zinc/35/57/48/569355748.db2.gz LZPZYCHKMQINBO-XMMPIXPASA-N 1 0 433.596 5.760 50 0 IKAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccc(OC)cc2)on1)c1ccc(C(C)(C)C)cc1 ZINC000094992817 569355771 /nfs/dbraw/zinc/35/57/71/569355771.db2.gz AWHQWAPZKNXRGB-XMMPIXPASA-N 1 0 449.595 5.461 50 0 IKAARO Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000020240756 569357800 /nfs/dbraw/zinc/35/78/00/569357800.db2.gz CYISIONYBVKZIU-UHFFFAOYSA-N 1 0 437.971 5.140 50 0 IKAARO CC(C)[N@H+](CCCNC(=O)c1cc2c(s1)-c1ccccc1SC2)Cc1ccccc1 ZINC000020329416 569360813 /nfs/dbraw/zinc/36/08/13/569360813.db2.gz LTGSTJCCRTTYDL-UHFFFAOYSA-N 1 0 436.646 6.051 50 0 IKAARO Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+]4CCCCCC4)cc3NC2=O)cc1 ZINC000020355346 569361338 /nfs/dbraw/zinc/36/13/38/569361338.db2.gz VUGPTGCKDQXWPG-JJIBRWJFSA-N 1 0 449.620 5.076 50 0 IKAARO Cc1ccc(NC(=O)CSC2=NC3(CC[NH+](C(C)C)CC3)N=C2c2ccccc2)cc1C ZINC000020436167 569365494 /nfs/dbraw/zinc/36/54/94/569365494.db2.gz JRIALBMTQJUVIC-UHFFFAOYSA-N 1 0 448.636 5.077 50 0 IKAARO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[N@@H+]3CCCC[C@@H]3CCO)cc(=O)oc2c1C ZINC000095473924 569372484 /nfs/dbraw/zinc/37/24/84/569372484.db2.gz LRQLXFRGJMDLSR-HXUWFJFHSA-N 1 0 446.547 5.263 50 0 IKAARO C[C@@H](N[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095994647 569378453 /nfs/dbraw/zinc/37/84/53/569378453.db2.gz DPHYODNXHRBPLX-FUHIMQAGSA-N 1 0 444.501 5.317 50 0 IKAARO Cc1ccc(C)c([C@@H](c2ccccc2)[NH+]2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000096183715 569386019 /nfs/dbraw/zinc/38/60/19/569386019.db2.gz UQUDADZKAXNXTO-RUZDIDTESA-N 1 0 433.983 5.896 50 0 IKAARO O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1cccc(Cl)c1)NCC[NH+]1CCCC1 ZINC000096276369 569388526 /nfs/dbraw/zinc/38/85/26/569388526.db2.gz KOJCWXFRNDIOLD-LJQANCHMSA-N 1 0 430.379 5.209 50 0 IKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1 ZINC000096323646 569395338 /nfs/dbraw/zinc/39/53/38/569395338.db2.gz TXZPWCVUJVVPCA-MRXNPFEDSA-N 1 0 426.948 5.219 50 0 IKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1 ZINC000096323647 569395348 /nfs/dbraw/zinc/39/53/48/569395348.db2.gz TXZPWCVUJVVPCA-INIZCTEOSA-N 1 0 426.948 5.219 50 0 IKAARO CCOC(=O)C1CC[NH+](CCO[C@@H]2c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000096568871 569401399 /nfs/dbraw/zinc/40/13/99/569401399.db2.gz QBUOJFKTEQBBCQ-HSZRJFAPSA-N 1 0 446.012 5.327 50 0 IKAARO CCOC(=O)C1CC[NH+](CCO[C@H]2c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000096568872 569401415 /nfs/dbraw/zinc/40/14/15/569401415.db2.gz QBUOJFKTEQBBCQ-QHCPKHFHSA-N 1 0 446.012 5.327 50 0 IKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21 ZINC000055543306 569407154 /nfs/dbraw/zinc/40/71/54/569407154.db2.gz IWEJVXMXQIBUHL-UHFFFAOYSA-N 1 0 437.509 6.155 50 0 IKAARO O=C(CN1CCc2sccc2[C@H]1C1CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000230026815 569417798 /nfs/dbraw/zinc/41/77/98/569417798.db2.gz IJTHSHYWZIATEW-GAJHUEQPSA-N 1 0 437.634 5.073 50 0 IKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(C)cc1 ZINC000002890280 569424277 /nfs/dbraw/zinc/42/42/77/569424277.db2.gz UNUOVCHSUPVQHH-QFIPXVFZSA-N 1 0 438.955 5.032 50 0 IKAARO CC[NH+](CC)CCCNC(=O)c1cc(Sc2ccccc2Cl)nc2ccccc21 ZINC000003035123 569437962 /nfs/dbraw/zinc/43/79/62/569437962.db2.gz ZVZJMVXCQQZYOY-UHFFFAOYSA-N 1 0 428.001 5.501 50 0 IKAARO CCOc1ccc(-c2cc(C(=O)NCCC[NH+]3CCCCCC3)c3ccccc3n2)cc1 ZINC000003044922 569438554 /nfs/dbraw/zinc/43/85/54/569438554.db2.gz XVRUGHIHDQZTNY-UHFFFAOYSA-N 1 0 431.580 5.296 50 0 IKAARO CC(=O)Nc1cc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1Sc1ccc(C)cc1 ZINC000003049177 569438930 /nfs/dbraw/zinc/43/89/30/569438930.db2.gz GEWYBYGUKNSINV-KDURUIRLSA-N 1 0 439.625 5.097 50 0 IKAARO Cc1ccc([C@H]2C[N@@H+](Cc3cccn3C)C[C@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000230155869 569439626 /nfs/dbraw/zinc/43/96/26/569439626.db2.gz OTBQZSDHSBFOAD-AHKZPQOWSA-N 1 0 429.608 5.100 50 0 IKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000003180382 569441320 /nfs/dbraw/zinc/44/13/20/569441320.db2.gz IBNCSKDJHIAUMN-RXVVDRJESA-N 1 0 433.379 5.295 50 0 IKAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)cc1 ZINC000003210263 569441751 /nfs/dbraw/zinc/44/17/51/569441751.db2.gz UVJXMPISKGTXGL-UHFFFAOYSA-N 1 0 447.963 5.018 50 0 IKAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(N(c3ccccc3)c3ccccc3)cc2)N1 ZINC000003220023 569441906 /nfs/dbraw/zinc/44/19/06/569441906.db2.gz BOGYICUFQAUFAZ-RUZDIDTESA-N 1 0 430.515 5.602 50 0 IKAARO Clc1ccc(-c2csc3ncnc(NC4CC[NH+](Cc5ccccc5)CC4)c23)cc1 ZINC000003349324 569447342 /nfs/dbraw/zinc/44/73/42/569447342.db2.gz QTINEKRVXVOKEW-UHFFFAOYSA-N 1 0 434.996 6.088 50 0 IKAARO CC(C)c1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000003614317 569455055 /nfs/dbraw/zinc/45/50/55/569455055.db2.gz DDIRDYVOSKNKOF-NDEPHWFRSA-N 1 0 426.604 6.445 50 0 IKAARO Cc1ccc(NC(=S)N(CCC[N@H+]2CCC[C@H](C)C2)Cc2cccs2)cc1Cl ZINC000003662322 569455975 /nfs/dbraw/zinc/45/59/75/569455975.db2.gz QDUMZEJPZMSQSY-KRWDZBQOSA-N 1 0 436.090 6.031 50 0 IKAARO Cc1cc(NC(=S)N(CCC[N@H+]2CCC[C@H](C)C2)Cc2cccs2)ccc1Cl ZINC000003662373 569455981 /nfs/dbraw/zinc/45/59/81/569455981.db2.gz NJXDLUXRNDQKLM-KRWDZBQOSA-N 1 0 436.090 6.031 50 0 IKAARO Cc1ccc(NC(=S)N(CCC[NH+]2CCC(C)CC2)Cc2cccs2)cc1Cl ZINC000003662313 569456007 /nfs/dbraw/zinc/45/60/07/569456007.db2.gz XUKVRZKMUMFMIH-UHFFFAOYSA-N 1 0 436.090 6.031 50 0 IKAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@H]23)CC1 ZINC000059409636 569461194 /nfs/dbraw/zinc/46/11/94/569461194.db2.gz YAENZRSZELRANI-XVOWXPBNSA-N 1 0 443.031 5.229 50 0 biogenic IKAARO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000008004303 569462047 /nfs/dbraw/zinc/46/20/47/569462047.db2.gz MSLGAGZARNHVOI-FQEVSTJZSA-N 1 0 427.548 5.031 50 0 IKAARO Cc1cc(C)cc(NC(=O)[C@@H](NCc2ccccc2C[NH+]2CCCC2)c2ccccc2)c1 ZINC000008229981 569462514 /nfs/dbraw/zinc/46/25/14/569462514.db2.gz AEOGLKNZFRDJHL-MHZLTWQESA-N 1 0 427.592 5.369 50 0 IKAARO Cc1ccc(C)c(NC(=O)[C@H](NCc2ccccc2C[NH+]2CCCC2)c2ccccc2)c1 ZINC000008394243 569463249 /nfs/dbraw/zinc/46/32/49/569463249.db2.gz NEWULROANHWVLA-HHHXNRCGSA-N 1 0 427.592 5.369 50 0 IKAARO COc1cccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)[NH+]2CCCCC2)c1 ZINC000038545975 569463315 /nfs/dbraw/zinc/46/33/15/569463315.db2.gz SIWVUODZJAQPSI-JOCHJYFZSA-N 1 0 440.634 6.263 50 0 IKAARO CCOc1ccc([C@H](c2cc(CC)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000038545931 569463353 /nfs/dbraw/zinc/46/33/53/569463353.db2.gz IELQVHHCOVRDEQ-HSZRJFAPSA-N 1 0 438.593 6.130 50 0 IKAARO O=C(Nc1sc2c(c1[C@@H](c1ccccc1F)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038545970 569463368 /nfs/dbraw/zinc/46/33/68/569463368.db2.gz IXEFGSSVBUTNSI-HSZRJFAPSA-N 1 0 438.568 6.187 50 0 IKAARO O=C(Nc1sc2c(c1[C@@H](c1cccc(F)c1)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038545968 569463370 /nfs/dbraw/zinc/46/33/70/569463370.db2.gz MIOWOGPWCFSIFS-HSZRJFAPSA-N 1 0 438.568 6.187 50 0 IKAARO Cc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCCCC2)cc1 ZINC000038546128 569463401 /nfs/dbraw/zinc/46/34/01/569463401.db2.gz ZNWIRBAQQLQDHJ-DEOSSOPVSA-N 1 0 434.605 6.356 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc(F)cc2)[NH+]2CCCCC2)c1C ZINC000038545980 569463408 /nfs/dbraw/zinc/46/34/08/569463408.db2.gz YRRSATVFIXZGTH-NRFANRHFSA-N 1 0 428.598 6.393 50 0 IKAARO Cc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCCCC2)cc1 ZINC000038546129 569463411 /nfs/dbraw/zinc/46/34/11/569463411.db2.gz ZNWIRBAQQLQDHJ-XMMPIXPASA-N 1 0 434.605 6.356 50 0 IKAARO CCc1cc([C@H](c2cccc(F)c2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546288 569463477 /nfs/dbraw/zinc/46/34/77/569463477.db2.gz CRABBSWMSXNWOR-QFIPXVFZSA-N 1 0 426.557 6.116 50 0 IKAARO Cc1cc([C@H](c2ccc3c(c2)OCO3)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546268 569463513 /nfs/dbraw/zinc/46/35/13/569463513.db2.gz SOYROWUXDSFXIP-QFIPXVFZSA-N 1 0 438.549 5.452 50 0 IKAARO CC1CC[NH+]([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccnc2)CC1 ZINC000038546323 569463522 /nfs/dbraw/zinc/46/35/22/569463522.db2.gz VQTRSACLNMSXHB-QHCPKHFHSA-N 1 0 435.593 5.689 50 0 IKAARO CC[NH+]1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2)CC1 ZINC000038546566 569463625 /nfs/dbraw/zinc/46/36/25/569463625.db2.gz MBRQRANUHUQHGG-XMMPIXPASA-N 1 0 449.620 5.199 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccncc2)[NH+]2CCC(C)CC2)c1C ZINC000038546711 569463669 /nfs/dbraw/zinc/46/36/69/569463669.db2.gz VTJIUXBDWRWECK-OAQYLSRUSA-N 1 0 425.623 5.895 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccsc2)[NH+]2CCC(C)CC2)c1C ZINC000038546721 569463679 /nfs/dbraw/zinc/46/36/79/569463679.db2.gz HGWSUYIESGZZQA-FQEVSTJZSA-N 1 0 430.664 6.562 50 0 IKAARO CCc1cc([C@@H](c2ccc(F)cc2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546537 569463691 /nfs/dbraw/zinc/46/36/91/569463691.db2.gz VVDUAOVRAGSMMD-JOCHJYFZSA-N 1 0 441.572 5.022 50 0 IKAARO Clc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000008717718 569471086 /nfs/dbraw/zinc/47/10/86/569471086.db2.gz AXSUTYRUGZASNU-JOCHJYFZSA-N 1 0 433.939 5.469 50 0 IKAARO COc1cccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)c1 ZINC000008717702 569471103 /nfs/dbraw/zinc/47/11/03/569471103.db2.gz WIRVQVBMBDMYDQ-AREMUKBSSA-N 1 0 439.559 5.231 50 0 IKAARO Clc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000008717717 569471135 /nfs/dbraw/zinc/47/11/35/569471135.db2.gz AXSUTYRUGZASNU-QFIPXVFZSA-N 1 0 433.939 5.469 50 0 IKAARO Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CC[NH+](Cc3ccccc3)CC2)o1 ZINC000008717719 569471152 /nfs/dbraw/zinc/47/11/52/569471152.db2.gz QLXBVYHRIULSRL-QHCPKHFHSA-N 1 0 447.966 5.777 50 0 IKAARO COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717695 569471154 /nfs/dbraw/zinc/47/11/54/569471154.db2.gz XAWWOBYQYQZUNV-SANMLTNESA-N 1 0 439.559 5.231 50 0 IKAARO COc1ccc(OC)c2c(=O)c(C[NH+](Cc3ccccc3)Cc3ccccc3)c(C)[nH]c12 ZINC000008717960 569471174 /nfs/dbraw/zinc/47/11/74/569471174.db2.gz DEYIDFCALLQFKK-UHFFFAOYSA-N 1 0 428.532 5.468 50 0 IKAARO Cc1ccc(C)c(NC(=O)[C@H](NCc2ccccc2C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000008749991 569473320 /nfs/dbraw/zinc/47/33/20/569473320.db2.gz PGDZJCISDVQEPM-MUUNZHRXSA-N 1 0 441.619 5.759 50 0 IKAARO CC(=O)Nc1cc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)ccc1Sc1ccc(C)cc1 ZINC000008811498 569476598 /nfs/dbraw/zinc/47/65/98/569476598.db2.gz SAILRPPBBVAXNV-IBGZPJMESA-N 1 0 439.625 5.099 50 0 IKAARO CCC1=Nc2cc(C(=O)NCCC[NH+]3CCC(C)CC3)ccc2Sc2ccc(C)cc21 ZINC000008813174 569476653 /nfs/dbraw/zinc/47/66/53/569476653.db2.gz WOYUBBXUOOANLF-UHFFFAOYSA-N 1 0 435.637 5.842 50 0 IKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000008837846 569478247 /nfs/dbraw/zinc/47/82/47/569478247.db2.gz DSWJCNQJLMSPAN-NRFANRHFSA-N 1 0 430.379 5.737 50 0 IKAARO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008856107 569479703 /nfs/dbraw/zinc/47/97/03/569479703.db2.gz OFACJGVXOBWZSA-UHFFFAOYSA-N 1 0 439.987 5.030 50 0 IKAARO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc(-c3ccc(F)cc3)s1)c1ccccc1O2 ZINC000008900765 569484136 /nfs/dbraw/zinc/48/41/36/569484136.db2.gz BZMLFEOEKVJLET-HXUWFJFHSA-N 1 0 436.552 5.272 50 0 IKAARO COc1ccc([C@@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)[NH+]2CCCC2)cc1 ZINC000008916986 569485915 /nfs/dbraw/zinc/48/59/15/569485915.db2.gz MNSJONTYULENEM-LJQANCHMSA-N 1 0 428.985 5.439 50 0 IKAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 ZINC000008918490 569486282 /nfs/dbraw/zinc/48/62/82/569486282.db2.gz JVNVZTKUUYCRQT-GCRKMBCISA-N 1 0 432.608 5.758 50 0 biogenic IKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OCc4ccccc4)c2)N3)C1 ZINC000008923444 569487090 /nfs/dbraw/zinc/48/70/90/569487090.db2.gz NPHQYGBWBMGZIV-QHCPKHFHSA-N 1 0 433.577 5.523 50 0 IKAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000040119465 569489397 /nfs/dbraw/zinc/48/93/97/569489397.db2.gz ZKNHLAGYHWUCNK-LJQANCHMSA-N 1 0 432.568 5.057 50 0 IKAARO COc1cccc2cc(C(=O)N(CCC[NH+](C)C)c3nc4cc(C)cc(C)c4s3)oc21 ZINC000008960068 569490413 /nfs/dbraw/zinc/49/04/13/569490413.db2.gz LKEZKVBQSPZKGJ-UHFFFAOYSA-N 1 0 437.565 5.266 50 0 IKAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)C1 ZINC000040149318 569492474 /nfs/dbraw/zinc/49/24/74/569492474.db2.gz DIMMTJPZPIAQTM-ZHALLVOQSA-N 1 0 433.625 5.084 50 0 IKAARO COc1ccccc1C1=NN2[C@@H](C1)c1ccccc1OC21CC[NH+](Cc2ccccc2)CC1 ZINC000009019672 569496915 /nfs/dbraw/zinc/49/69/15/569496915.db2.gz VOOVECIRRTYXTP-VWLOTQADSA-N 1 0 439.559 5.231 50 0 IKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)C1 ZINC000245258141 569501677 /nfs/dbraw/zinc/50/16/77/569501677.db2.gz LAPRBDWKIGWNPR-LRQRDZAKSA-N 1 0 429.992 5.210 50 0 IKAARO C[C@H]1CCCN(Cc2csc(NC(=O)c3cc(-c4ccccn4)nc4ccccc43)n2)C1 ZINC000009112182 569502411 /nfs/dbraw/zinc/50/24/11/569502411.db2.gz LSZAFAWVLOUIQA-KRWDZBQOSA-N 1 0 443.576 5.238 50 0 IKAARO Cc1ccc(Cn2cc(CCC(=O)NCCC[NH+]3[C@H](C)CCC[C@H]3C)c3ccccc32)cc1 ZINC000009116095 569502865 /nfs/dbraw/zinc/50/28/65/569502865.db2.gz MKYWWTDGLGQDDF-DNQXCXABSA-N 1 0 445.651 5.700 50 0 IKAARO COc1cccc(NC(=O)[C@@H]2C[C@H](c3ccccc3)C[N@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000040424913 569502890 /nfs/dbraw/zinc/50/28/90/569502890.db2.gz DBPHXVFOYLMSPT-LEWJYISDSA-N 1 0 436.502 5.218 50 0 IKAARO CCOc1ccccc1NC(=O)N(Cc1ccc(C)o1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009151166 569507479 /nfs/dbraw/zinc/50/74/79/569507479.db2.gz DFQXLSDZBOUOAV-UHFFFAOYSA-N 1 0 447.579 5.685 50 0 IKAARO CCCCOc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(F)cc3s2)cc1 ZINC000009151884 569507598 /nfs/dbraw/zinc/50/75/98/569507598.db2.gz MHYYBMNHPPUUMT-UHFFFAOYSA-N 1 0 429.561 5.213 50 0 IKAARO CCCCOc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3OC)s2)cc1 ZINC000009151902 569507669 /nfs/dbraw/zinc/50/76/69/569507669.db2.gz OZYGMZGKHXPGSK-UHFFFAOYSA-N 1 0 441.597 5.082 50 0 IKAARO C[NH+](C)CCCN(C(=O)c1ccc(Cc2ccccc2)cc1)c1nc2c(cccc2F)s1 ZINC000009151915 569507709 /nfs/dbraw/zinc/50/77/09/569507709.db2.gz ZHHPUHCPUUHGSG-UHFFFAOYSA-N 1 0 447.579 5.625 50 0 IKAARO CCOc1ccc([C@](O)(c2ccc(C)cc2)[C@H](C[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000009195344 569510967 /nfs/dbraw/zinc/51/09/67/569510967.db2.gz JNAOVDHNGJVKKI-LOYHVIPDSA-N 1 0 443.631 6.289 50 0 IKAARO Cc1ccc(-n2ncc(C(=O)Nc3ccc(F)cc3C)c2C2CC[NH2+]CC2)cc1Cl ZINC000009227324 569513401 /nfs/dbraw/zinc/51/34/01/569513401.db2.gz MYYSTJGCWFFQIW-UHFFFAOYSA-N 1 0 426.923 5.001 50 0 IKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Br)s3)=NN12 ZINC000009272471 569517961 /nfs/dbraw/zinc/51/79/61/569517961.db2.gz RRWMNGIIWKLPLX-QGZVFWFLSA-N 1 0 446.414 5.255 50 0 IKAARO Cc1ccc2c(c1)[nH]c(C(=O)NCC[NH+]1CCCCCC1)c2Sc1ccc(Cl)cc1 ZINC000009288281 569519389 /nfs/dbraw/zinc/51/93/89/569519389.db2.gz IWVIPHDZSVILFS-UHFFFAOYSA-N 1 0 442.028 5.887 50 0 IKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]c2cc(OC)ccc2c1Sc1ccc(Cl)cc1 ZINC000009288598 569519446 /nfs/dbraw/zinc/51/94/46/569519446.db2.gz LIUXJLQNEGZXCT-INIZCTEOSA-N 1 0 444.000 5.195 50 0 IKAARO Cc1ccc2c(c1)c1nnc(SCC[NH+]3CCCCC3)nc1n2CCc1ccccc1 ZINC000009309276 569521571 /nfs/dbraw/zinc/52/15/71/569521571.db2.gz AKDLWWSDKYVMAG-UHFFFAOYSA-N 1 0 431.609 5.109 50 0 IKAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3SCc3ccsc3)cc2)CC1 ZINC000009322023 569522588 /nfs/dbraw/zinc/52/25/88/569522588.db2.gz HJWQATHWEZBKQI-UHFFFAOYSA-N 1 0 437.634 5.435 50 0 IKAARO CC1(C)C(c2ccccc2)=NN(c2ccc(C[NH2+]C3CCCCC3)cc2)[C@@H]1c1ccccc1 ZINC000009348112 569524384 /nfs/dbraw/zinc/52/43/84/569524384.db2.gz BVTSNTDWBRSOMT-GDLZYMKVSA-N 1 0 437.631 7.101 50 0 IKAARO C[N@H+](CCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)Cc1ccccc1 ZINC000009407753 569530317 /nfs/dbraw/zinc/53/03/17/569530317.db2.gz RMYVDGNOBYTPBF-UHFFFAOYSA-N 1 0 443.037 5.926 50 0 IKAARO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH+]3CCCCCC3)cc21 ZINC000009409343 569530963 /nfs/dbraw/zinc/53/09/63/569530963.db2.gz SAQYAGCBQLIWHZ-HSZRJFAPSA-N 1 0 434.580 5.066 50 0 IKAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccc(Cl)cc2)cc1OC ZINC000009438849 569535040 /nfs/dbraw/zinc/53/50/40/569535040.db2.gz KMUBMHOMPXEISJ-UHFFFAOYSA-N 1 0 433.939 5.500 50 0 IKAARO c1ccc(-c2nc3sc4c(ncnc4SCC[NH+]4CCCCC4)c3c3c2CCC3)cc1 ZINC000009510970 569542844 /nfs/dbraw/zinc/54/28/44/569542844.db2.gz IHXIOKZQKTUSCY-UHFFFAOYSA-N 1 0 446.645 5.973 50 0 IKAARO O=C(Nc1ccc(F)cc1)[C@H](NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000009513049 569543011 /nfs/dbraw/zinc/54/30/11/569543011.db2.gz STCGTFJKAXIBPT-AREMUKBSSA-N 1 0 431.555 5.281 50 0 IKAARO Cc1cc(C)cc(NC(=O)[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc2)c1 ZINC000009515980 569543392 /nfs/dbraw/zinc/54/33/92/569543392.db2.gz QPXDLYZZCYSENM-MHZLTWQESA-N 1 0 427.592 5.369 50 0 IKAARO COc1ccc(-c2nc3ccccc3c(NCC[N@H+](Cc3ccco3)C3CCCC3)n2)cc1 ZINC000009527069 569544667 /nfs/dbraw/zinc/54/46/67/569544667.db2.gz KMUSQDVRMUFHMB-UHFFFAOYSA-N 1 0 442.563 5.755 50 0 IKAARO Cc1ccc2nc3sc(C(=O)NCC4CC[NH+](Cc5ccccc5F)CC4)cc3cc2c1 ZINC000009528746 569544742 /nfs/dbraw/zinc/54/47/42/569544742.db2.gz JGRJIGHCDWJTOF-UHFFFAOYSA-N 1 0 447.579 5.539 50 0 IKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000009598065 569550993 /nfs/dbraw/zinc/55/09/93/569550993.db2.gz FMFKCEWDCGNEPJ-MRXNPFEDSA-N 1 0 428.001 5.611 50 0 IKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)C[NH2+]C3CCCC3)c2c(C)c1 ZINC000009601962 569551640 /nfs/dbraw/zinc/55/16/40/569551640.db2.gz HHKYQPMVFYXVCN-SANMLTNESA-N 1 0 438.615 6.485 50 0 IKAARO CCC1=Nc2cc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)ccc2Sc2ccccc21 ZINC000009607874 569551998 /nfs/dbraw/zinc/55/19/98/569551998.db2.gz CPATUMQLVHNKRD-KDURUIRLSA-N 1 0 435.637 5.780 50 0 IKAARO CCC1=Nc2cc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)ccc2Sc2ccccc21 ZINC000009607878 569552013 /nfs/dbraw/zinc/55/20/13/569552013.db2.gz CPATUMQLVHNKRD-OALUTQOASA-N 1 0 435.637 5.780 50 0 IKAARO COc1ccccc1Nc1c2cc(NC(=O)C3CCC(C)CC3)ccc2[nH+]c2c1CCCC2 ZINC000009612244 569552880 /nfs/dbraw/zinc/55/28/80/569552880.db2.gz GIERQWZHNUYROY-UHFFFAOYSA-N 1 0 443.591 6.631 50 0 IKAARO Cc1ccc(NC(=O)[C@@H](NCc2ccccc2C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000009637681 569554829 /nfs/dbraw/zinc/55/48/29/569554829.db2.gz YHFIDZIELWXWTP-MHZLTWQESA-N 1 0 427.592 5.451 50 0 IKAARO Cc1ccc(-n2ncc(C(=O)Nc3ccc(F)c(Cl)c3)c2C2CC[NH2+]CC2)cc1C ZINC000009639507 569555205 /nfs/dbraw/zinc/55/52/05/569555205.db2.gz MWYDNAYRWYCPIS-UHFFFAOYSA-N 1 0 426.923 5.001 50 0 IKAARO CCOC(=O)c1c(NC(=O)c2cccc3ccccc32)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000009639873 569555261 /nfs/dbraw/zinc/55/52/61/569555261.db2.gz HBQJKHLQDYCVHP-UHFFFAOYSA-N 1 0 436.577 5.490 50 0 IKAARO COC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000009639782 569555292 /nfs/dbraw/zinc/55/52/92/569555292.db2.gz BHYIPZWSWSDPKX-UHFFFAOYSA-N 1 0 447.409 5.315 50 0 IKAARO Cc1ccc(-n2ncc(C(=O)Nc3ccccc3Cl)c2C2CC[NH2+]CC2)cc1Cl ZINC000009639815 569555298 /nfs/dbraw/zinc/55/52/98/569555298.db2.gz MKPPBPSRQGYPMF-UHFFFAOYSA-N 1 0 429.351 5.207 50 0 IKAARO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000009671607 569558625 /nfs/dbraw/zinc/55/86/25/569558625.db2.gz KFSOASQLXNYPHA-DEOSSOPVSA-N 1 0 428.532 5.437 50 0 IKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Nc2ccc(OC)cc2)nc2ccccc21 ZINC000009680571 569560107 /nfs/dbraw/zinc/56/01/07/569560107.db2.gz XSNNPFOESFICMB-OAQYLSRUSA-N 1 0 446.595 5.371 50 0 IKAARO Cc1ccc(C)c(Nc2cc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c3ccccc3n2)c1 ZINC000009680780 569560177 /nfs/dbraw/zinc/56/01/77/569560177.db2.gz CDWAUNXVXDDJGO-NHCUHLMSSA-N 1 0 444.623 5.693 50 0 IKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)NCCC2=CCCCC2)CC1 ZINC000009731724 569564670 /nfs/dbraw/zinc/56/46/70/569564670.db2.gz UBXYVVQEXISAJX-UHFFFAOYSA-N 1 0 442.003 5.522 50 0 IKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)NC2CCCCCCC2)CC1 ZINC000009731798 569564707 /nfs/dbraw/zinc/56/47/07/569564707.db2.gz NFNBRCUGXXIWNX-UHFFFAOYSA-N 1 0 444.019 5.745 50 0 IKAARO Cn1c(-c2cccc(Br)c2)c[nH+]c1NCc1cccc(Oc2ccccc2)c1 ZINC000009763711 569566677 /nfs/dbraw/zinc/56/66/77/569566677.db2.gz VBYBADZUOVXAOX-UHFFFAOYSA-N 1 0 434.337 6.254 50 0 IKAARO C[N@H+](Cc1cc(=O)n2c(-c3ccccc3)csc2n1)C(c1ccccc1)c1ccccc1 ZINC000009767502 569566868 /nfs/dbraw/zinc/56/68/68/569566868.db2.gz ZDPRFADOAUAJJP-UHFFFAOYSA-N 1 0 437.568 5.644 50 0 IKAARO CCCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000009849534 569571340 /nfs/dbraw/zinc/57/13/40/569571340.db2.gz VNXBXJSEZOMQFW-UHFFFAOYSA-N 1 0 443.429 5.490 50 0 IKAARO Cn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 ZINC000009942339 569574060 /nfs/dbraw/zinc/57/40/60/569574060.db2.gz OPLKVWGDVACWCM-UHFFFAOYSA-N 1 0 448.611 5.264 50 0 IKAARO Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCCC2)n3C(C)C)cc1 ZINC000009942797 569574102 /nfs/dbraw/zinc/57/41/02/569574102.db2.gz AQYFWIPIBBQJSL-UHFFFAOYSA-N 1 0 434.584 5.319 50 0 IKAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1cc2sccc2n1Cc1ccc(Cl)cc1 ZINC000009969783 569576119 /nfs/dbraw/zinc/57/61/19/569576119.db2.gz ARRIRVXIFDBEEB-ROUUACIJSA-N 1 0 444.044 5.787 50 0 IKAARO O[C@@H](C[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1 ZINC000016477394 569586733 /nfs/dbraw/zinc/58/67/33/569586733.db2.gz TYFUYBMLNZAZIB-NRFANRHFSA-N 1 0 446.772 5.505 50 0 IKAARO CCN1c2ccccc2S/C1=C\C=C(Cl)\C=C\c1sc2ccccc2[n+]1CC ZINC000039440275 569588090 /nfs/dbraw/zinc/58/80/90/569588090.db2.gz CGRMYQQSUPZMNU-UHFFFAOYSA-N 1 0 426.030 6.818 50 0 IKAARO CCCCn1c(-c2ccc(OCC)cc2)c[nH+]c1NCc1cc(OC)c(OC)c(OC)c1 ZINC000009846069 193904412 /nfs/dbraw/zinc/90/44/12/193904412.db2.gz BTZCXWCYXZZZAW-UHFFFAOYSA-N 1 0 439.556 5.387 50 0 IKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4ccc(OC)cc4OC)CC3)ccc21 ZINC000019781744 193918835 /nfs/dbraw/zinc/91/88/35/193918835.db2.gz RXJXAGGBMYXWPL-UHFFFAOYSA-N 1 0 443.591 5.149 50 0 IKAARO CC(C)[C@@H]1C[C@@](CC[NH+]2CCN(c3ccccc3)CC2)(Cc2ccccc2Cl)CCO1 ZINC000009420530 132234318 /nfs/dbraw/zinc/23/43/18/132234318.db2.gz VFJFJHQLZRMSMM-RRPNLBNLSA-N 1 0 441.059 5.916 50 0 IKAARO Fc1ccc(-c2csc3ncnc(N4CC[NH+](C/C=C/c5ccccc5)CC4)c23)cc1 ZINC000001745219 132246404 /nfs/dbraw/zinc/24/64/04/132246404.db2.gz ITPRPVCAZJHNSL-QPJJXVBHSA-N 1 0 430.552 5.333 50 0 IKAARO O[C@@H](CN1c2ccccc2Sc2ccccc21)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000001801031 132246785 /nfs/dbraw/zinc/24/67/85/132246785.db2.gz FXLFZOHESFVIIP-HSZRJFAPSA-N 1 0 436.665 6.618 50 0 IKAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)CC1 ZINC000002886055 132258149 /nfs/dbraw/zinc/25/81/49/132258149.db2.gz AJGKDIVHWFPVGT-UHFFFAOYSA-N 1 0 430.335 5.258 50 0 IKAARO c1ccc([C@H]2Nn3c4cc(N5CCC([NH+]6CCCC6)CC5)ccc4nc3-c3ccccc32)cc1 ZINC000009421239 132316345 /nfs/dbraw/zinc/31/63/45/132316345.db2.gz IWTZCEKDJZGFJN-MUUNZHRXSA-N 1 0 449.602 5.414 50 0 IKAARO CC[NH+]1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)c(Cl)c2)CC1 ZINC000009531137 132320905 /nfs/dbraw/zinc/32/09/05/132320905.db2.gz XIFBFSIYMUGNAY-UHFFFAOYSA-N 1 0 431.971 5.191 50 0 IKAARO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH2+]Cc4cccc(F)c4)CC3)cc2)c(C)c1 ZINC000011783875 132339533 /nfs/dbraw/zinc/33/95/33/132339533.db2.gz IQDJMFOLSCWIRN-UHFFFAOYSA-N 1 0 431.555 5.453 50 0 IKAARO Cc1ccc(OCc2nc3ccccc3n2C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000013102513 132344488 /nfs/dbraw/zinc/34/44/88/132344488.db2.gz WSHORRZDPOLBQI-UHFFFAOYSA-N 1 0 446.982 5.357 50 0 IKAARO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000012166751 518444847 /nfs/dbraw/zinc/44/48/47/518444847.db2.gz MDIAEZSIZHFWAX-IOMURQGYSA-N 1 0 442.525 5.622 50 0 IKAARO CC(C)(C)[C@@H]1CCCC2=C1[NH2+]N(c1nc(-c3ccc(F)cc3)cs1)[C@]2(O)C(F)(F)F ZINC000035999492 518941700 /nfs/dbraw/zinc/94/17/00/518941700.db2.gz KKBBMOZXYZHLCD-QEEYODRMSA-N 1 0 441.494 5.839 50 0 IKAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(N(C)c3ccccc3)cc2)CC1 ZINC000012318873 519608998 /nfs/dbraw/zinc/60/89/98/519608998.db2.gz DPSCAIOXHUOKAY-UHFFFAOYSA-N 1 0 445.611 5.473 50 0 IKAARO CC(C)CC[N@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1cccc(F)c1 ZINC000035841196 519652727 /nfs/dbraw/zinc/65/27/27/519652727.db2.gz BYLYMJNPGGGKMQ-UHFFFAOYSA-N 1 0 432.505 6.743 50 0 IKAARO CC(C)CCOc1ccc([C@](O)(CC(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020443736 519675397 /nfs/dbraw/zinc/67/53/97/519675397.db2.gz LDZKPOPKPQCWMN-WUFINQPMSA-N 1 0 439.640 5.461 50 0 IKAARO CC(C)C[N@H+](CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000035844953 519709598 /nfs/dbraw/zinc/70/95/98/519709598.db2.gz DLNFWFOSYXUXHX-UHFFFAOYSA-N 1 0 444.497 5.384 50 0 IKAARO CC(C)C[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)cc(F)c1 ZINC000035844673 519718544 /nfs/dbraw/zinc/71/85/44/519718544.db2.gz MDKHOILPGNKRJO-UHFFFAOYSA-N 1 0 436.468 6.492 50 0 IKAARO CC(C)[C@@H](C)[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000035843773 519791356 /nfs/dbraw/zinc/79/13/56/519791356.db2.gz SIEDQHRHFKMDRW-LJQANCHMSA-N 1 0 432.505 6.741 50 0 IKAARO CC(C)[C@H](C)[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cccc(Cl)c1 ZINC000035844686 519811955 /nfs/dbraw/zinc/81/19/55/519811955.db2.gz ODJZKUQZJMUOKY-IBGZPJMESA-N 1 0 448.960 7.255 50 0 IKAARO CC(C)n1cc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)cn1 ZINC000012585674 519950428 /nfs/dbraw/zinc/95/04/28/519950428.db2.gz ROIWSBGTSPVISQ-UHFFFAOYSA-N 1 0 436.531 5.246 50 0 IKAARO CCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000035843608 520442386 /nfs/dbraw/zinc/44/23/86/520442386.db2.gz FOJSKFNUYRTYNC-VWLOTQADSA-N 1 0 442.644 6.000 50 0 IKAARO CCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000035843607 520442491 /nfs/dbraw/zinc/44/24/91/520442491.db2.gz FOJSKFNUYRTYNC-RUZDIDTESA-N 1 0 442.644 6.000 50 0 IKAARO CC1(C)C[C@@H]([NH2+]C2CCN(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)CC2)CCO1 ZINC000012247645 520521557 /nfs/dbraw/zinc/52/15/57/520521557.db2.gz UPENHNWTRDCTCQ-QFIPXVFZSA-N 1 0 442.003 5.108 50 0 IKAARO CCOc1c(Br)cc(C[NH2+][C@@H](C)c2ccc(Br)cc2)cc1OC ZINC000022783622 520590078 /nfs/dbraw/zinc/59/00/78/520590078.db2.gz GUAFDRJDDKIOLT-LBPRGKRZSA-N 1 0 443.179 5.470 50 0 IKAARO CCOc1cc([C@H]2[NH2+]C[C@@H](c3ccc(OC)cc3)c3c4ccccc4[nH]c32)ccc1OC ZINC000012683085 520786323 /nfs/dbraw/zinc/78/63/23/520786323.db2.gz WGCZLEVZAYUPRK-HFZDXXHNSA-N 1 0 428.532 5.408 50 0 IKAARO CCOc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3CC)c3ccccc3n2)cc1 ZINC000020682320 520805588 /nfs/dbraw/zinc/80/55/88/520805588.db2.gz TURIWMLUDDHEMZ-JOCHJYFZSA-N 1 0 445.607 5.685 50 0 IKAARO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C)c1ccccc1 ZINC000012900993 520838453 /nfs/dbraw/zinc/83/84/53/520838453.db2.gz ORHYIZVMEWGFDI-QHCPKHFHSA-N 1 0 439.003 5.015 50 0 IKAARO CC1=C(CC[NH+]2CCC3(C[C@@H]3C(=O)N3CCN(c4ccccc4)CC3)CC2)C(C)(C)CCC1 ZINC000012155703 520841747 /nfs/dbraw/zinc/84/17/47/520841747.db2.gz UASICSNIXFUAOF-AREMUKBSSA-N 1 0 449.683 5.354 50 0 IKAARO CCCCOc1ccc([C@](O)(CCCC)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020444418 520898520 /nfs/dbraw/zinc/89/85/20/520898520.db2.gz SLNNRYSCNHDFCT-RRPNLBNLSA-N 1 0 425.613 5.359 50 0 IKAARO CCC[C@@](O)(c1ccc(OCCC(C)C)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020756674 520939846 /nfs/dbraw/zinc/93/98/46/520939846.db2.gz AMWZFRHFXGRGAR-KAYWLYCHSA-N 1 0 425.613 5.215 50 0 IKAARO CCOc1ccc(C[NH2+]CC[C@]2(c3ccccc3OC)CCO[C@H](C(C)C)C2)cc1OC ZINC000012864443 521001416 /nfs/dbraw/zinc/00/14/16/521001416.db2.gz OHZCFVVRZGMNSE-SVBPBHIXSA-N 1 0 441.612 5.355 50 0 biogenic IKAARO CC1CC[NH+]([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccccc2F)CC1 ZINC000015859523 521036481 /nfs/dbraw/zinc/03/64/81/521036481.db2.gz KMRDPROUERTBGC-SANMLTNESA-N 1 0 442.534 6.646 50 0 IKAARO CCOc1ccc2nc(N(CC[NH+](C)C)C(=O)c3cc(Cl)sc3Cl)sc2c1 ZINC000012140793 521298532 /nfs/dbraw/zinc/29/85/32/521298532.db2.gz COQRJLIURHBTRW-UHFFFAOYSA-N 1 0 444.409 5.272 50 0 IKAARO CCOC(=O)c1c(NC(=O)CC[NH+]2CCCCC2)sc(C)c1-c1ccc(Cl)cc1 ZINC000012599404 521407171 /nfs/dbraw/zinc/40/71/71/521407171.db2.gz ONQHJWCLRMENAA-UHFFFAOYSA-N 1 0 434.989 5.368 50 0 IKAARO CCOc1ccccc1NC(=O)N[C@H](C)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532238 521542260 /nfs/dbraw/zinc/54/22/60/521542260.db2.gz OLRSLZDVNOEKEX-QGZVFWFLSA-N 1 0 438.597 5.198 50 0 IKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]c2cc(C)ccc2c1Sc1ccc(Cl)cc1 ZINC000020466698 521638228 /nfs/dbraw/zinc/63/82/28/521638228.db2.gz YXEJPUJCFYRZGO-QGZVFWFLSA-N 1 0 428.001 5.495 50 0 IKAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)c(C)c2)CC1 ZINC000022067975 521699112 /nfs/dbraw/zinc/69/91/12/521699112.db2.gz GHHCZWFTQZUXDX-FQEVSTJZSA-N 1 0 431.580 5.041 50 0 IKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000020532231 521724631 /nfs/dbraw/zinc/72/46/31/521724631.db2.gz CCUPFMAHCHKYGW-MRXNPFEDSA-N 1 0 443.016 5.761 50 0 IKAARO C[NH+](C)CCNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1 ZINC000035768780 521776445 /nfs/dbraw/zinc/77/64/45/521776445.db2.gz VJJCINMTHCYJQY-VWLOTQADSA-N 1 0 443.566 5.029 50 0 IKAARO CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](CCc1ccccc1)C3 ZINC000020827442 521785691 /nfs/dbraw/zinc/78/56/91/521785691.db2.gz UHDZJOHFZOAMJA-UHFFFAOYSA-N 1 0 447.629 5.160 50 0 IKAARO CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[N@@H+](CC1CCCCC1)C3 ZINC000020814044 521786843 /nfs/dbraw/zinc/78/68/43/521786843.db2.gz ZMTUZZXXLQSFBI-UHFFFAOYSA-N 1 0 445.698 6.014 50 0 IKAARO COc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)ccc1C ZINC000011872936 522054595 /nfs/dbraw/zinc/05/45/95/522054595.db2.gz AMRYOAQLLWODOM-FQEVSTJZSA-N 1 0 448.529 5.049 50 0 IKAARO COc1cc(C(=O)N[C@@H](C)c2cccs2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012571074 522131600 /nfs/dbraw/zinc/13/16/00/522131600.db2.gz PKAVJBXHKZEWFJ-KRWDZBQOSA-N 1 0 428.598 5.034 50 0 IKAARO COc1cc(CCC2CC[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc(OC)c1 ZINC000021395859 522327458 /nfs/dbraw/zinc/32/74/58/522327458.db2.gz KEKWDHHSENYBMF-UHFFFAOYSA-N 1 0 441.959 5.252 50 0 IKAARO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1ccccc1Cl ZINC000020228400 522441788 /nfs/dbraw/zinc/44/17/88/522441788.db2.gz MPAAETOTDNIFRR-UHFFFAOYSA-N 1 0 446.418 6.495 50 0 IKAARO COc1cc(C[NH2+]Cc2cccnc2)cc(Br)c1OCc1ccccc1Cl ZINC000012418905 522468520 /nfs/dbraw/zinc/46/85/20/522468520.db2.gz DQDZQGHYXJKMOK-UHFFFAOYSA-N 1 0 447.760 5.375 50 0 IKAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000012302764 522659874 /nfs/dbraw/zinc/65/98/74/522659874.db2.gz SVFRTWBVMRMGGR-UHFFFAOYSA-N 1 0 438.921 5.386 50 0 IKAARO C[N@H+](CCC12CC3CC(CC(C3)C1)C2)[C@@H]1CCC(=O)N(Cc2ccc(F)cc2F)CC1 ZINC000012123985 522698289 /nfs/dbraw/zinc/69/82/89/522698289.db2.gz HHZSZFDOTQMXKI-MCADVSAISA-N 1 0 430.583 5.384 50 0 IKAARO C[N@H+](CCc1ccccn1)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000012441368 522964384 /nfs/dbraw/zinc/96/43/84/522964384.db2.gz VLBCAFCHXKFYMU-HSZRJFAPSA-N 1 0 430.552 5.045 50 0 IKAARO C[N@H+](CCc1ccccn1)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000012441370 522965674 /nfs/dbraw/zinc/96/56/74/522965674.db2.gz VLBCAFCHXKFYMU-QHCPKHFHSA-N 1 0 430.552 5.045 50 0 IKAARO CC[C@@H](O)C1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000012437572 522970301 /nfs/dbraw/zinc/97/03/01/522970301.db2.gz WFMXTPCOYXNHNJ-XMMPIXPASA-N 1 0 429.564 5.328 50 0 IKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000015880075 523019174 /nfs/dbraw/zinc/01/91/74/523019174.db2.gz UGTIEFUTIKZRTB-PESPDQJRSA-N 1 0 449.620 5.156 50 0 IKAARO COc1cc2cc[n+]3c(c2cc1OC)Cc1cc(OC)c(OC)cc1[C@@H]3c1ccc(C)cc1 ZINC000012660758 523059340 /nfs/dbraw/zinc/05/93/40/523059340.db2.gz SGPKULBKXDBHAB-NDEPHWFRSA-N 1 0 442.535 5.012 50 0 biogenic IKAARO COc1cc2nc(-c3ccccc3)c(C[NH2+]Cc3ccccc3Cl)cc2c(OC)c1OC ZINC000012330221 523060499 /nfs/dbraw/zinc/06/04/99/523060499.db2.gz YWEOMFGQWRMNSD-UHFFFAOYSA-N 1 0 448.950 5.871 50 0 IKAARO COc1cc2nc(-c3ccccc3)c(C[NH2+]CCc3ccccc3)cc2c(OC)c1OC ZINC000014984238 523062608 /nfs/dbraw/zinc/06/26/08/523062608.db2.gz AZDZHBKBCRDFCE-UHFFFAOYSA-N 1 0 428.532 5.260 50 0 IKAARO COc1cc2nc(N(C)C)c(C[NH2+][C@H](C)c3cccc4ccccc43)cc2c(OC)c1OC ZINC000011975761 523065926 /nfs/dbraw/zinc/06/59/26/523065926.db2.gz HDONFTRRQHGSCL-QGZVFWFLSA-N 1 0 445.563 5.331 50 0 IKAARO COc1ccc(-[n+]2c(C)cc(/C=C3\Sc4ccc5ccccc5c4N3C)cc2C)cc1 ZINC000013051263 523073977 /nfs/dbraw/zinc/07/39/77/523073977.db2.gz AYJVMHOCJOTUQS-UHFFFAOYSA-N 1 0 425.577 6.282 50 0 IKAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)c(OC)c3)C2)cc1 ZINC000012747732 523138521 /nfs/dbraw/zinc/13/85/21/523138521.db2.gz IKCBHHRRFCLVAC-NRFANRHFSA-N 1 0 448.538 5.361 50 0 IKAARO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CCc3cccc(O)c3)c(C)o2)c(OC)c1 ZINC000012709962 523201176 /nfs/dbraw/zinc/20/11/76/523201176.db2.gz PNKDCRNZSGLRER-HXUWFJFHSA-N 1 0 436.552 5.360 50 0 IKAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)c(C)o2)c(OC)c1 ZINC000020540187 523203135 /nfs/dbraw/zinc/20/31/35/523203135.db2.gz OTENVPSCZFZHSP-QGZVFWFLSA-N 1 0 433.508 5.188 50 0 IKAARO COc1ccc(-n2cc(C[NH2+][C@@H](C)c3cn(C)nc3C)c(-c3ccccc3Cl)n2)cc1 ZINC000012590779 523328011 /nfs/dbraw/zinc/32/80/11/523328011.db2.gz OPLJMCGEHMFVFO-INIZCTEOSA-N 1 0 435.959 5.094 50 0 IKAARO COc1ccc(-n2cc(C[NH2+]Cc3cnc4ccccn34)c(-c3ccccc3Cl)n2)cc1 ZINC000012433833 523329185 /nfs/dbraw/zinc/32/91/85/523329185.db2.gz YJHDQAISFCLGKJ-UHFFFAOYSA-N 1 0 443.938 5.139 50 0 IKAARO CCn1nc(C)c(C[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)c1C ZINC000012453787 523644852 /nfs/dbraw/zinc/64/48/52/523644852.db2.gz HSOCHSKUGNIKAI-UHFFFAOYSA-N 1 0 437.950 5.455 50 0 IKAARO COc1ccc(C(=O)N2C[C@@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000034697982 523669393 /nfs/dbraw/zinc/66/93/93/523669393.db2.gz GWKRUOHLIJGFKC-NFBKMPQASA-N 1 0 446.513 5.056 50 0 IKAARO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)cc1 ZINC000012746596 524027722 /nfs/dbraw/zinc/02/77/22/524027722.db2.gz IJBSLPSUVNBVRA-JOCHJYFZSA-N 1 0 430.548 5.222 50 0 IKAARO C[NH+](C)CCCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2ccc(Cl)cc2s1 ZINC000012140936 524053233 /nfs/dbraw/zinc/05/32/33/524053233.db2.gz MGKACJRFCWZVJL-UHFFFAOYSA-N 1 0 441.906 5.567 50 0 IKAARO C[NH+](C)CCCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2ccccc2s1 ZINC000012342205 524053331 /nfs/dbraw/zinc/05/33/31/524053331.db2.gz MLUQFNOYUNGGAM-UHFFFAOYSA-N 1 0 443.572 5.126 50 0 IKAARO C[NH+](C)CCCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2ccc(F)cc2s1 ZINC000012140925 524053429 /nfs/dbraw/zinc/05/34/29/524053429.db2.gz BCDMYSMFJXPGOJ-UHFFFAOYSA-N 1 0 425.451 5.053 50 0 IKAARO COc1ccc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)c(OC)c1OC ZINC000012481544 524092252 /nfs/dbraw/zinc/09/22/52/524092252.db2.gz JPBGNWOBPRLANS-FQEVSTJZSA-N 1 0 435.568 5.010 50 0 IKAARO Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000012783424 524121486 /nfs/dbraw/zinc/12/14/86/524121486.db2.gz NUFAZTSSLIZERJ-XMMPIXPASA-N 1 0 440.547 5.008 50 0 IKAARO COc1cccc([C@H](CNC(=O)c2sc3cc(F)ccc3c2Cl)[NH+]2CCCC2)c1 ZINC000012788209 524161876 /nfs/dbraw/zinc/16/18/76/524161876.db2.gz VZGMOCKVOSVRKM-SFHVURJKSA-N 1 0 432.948 5.269 50 0 IKAARO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000012602893 524238388 /nfs/dbraw/zinc/23/83/88/524238388.db2.gz LKQUJEYSMGDJAM-LAUBAEHRSA-N 1 0 447.966 5.579 50 0 IKAARO COc1ccccc1-[n+]1c(C)cc(/C=C2\Sc3ccc4ccccc4c3N2C)cc1C ZINC000013051266 524264950 /nfs/dbraw/zinc/26/49/50/524264950.db2.gz UBDIMWQLWXAINT-UHFFFAOYSA-N 1 0 425.577 6.282 50 0 IKAARO Cc1cccc(CN(C(=O)Nc2c(C)cccc2C)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000035686855 524365640 /nfs/dbraw/zinc/36/56/40/524365640.db2.gz VRYIPMYPKZBAMF-UHFFFAOYSA-N 1 0 442.607 5.706 50 0 IKAARO COc1ccccc1C[NH+]1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC000012385922 524449552 /nfs/dbraw/zinc/44/95/52/524449552.db2.gz PQCDUOANICKGOY-UHFFFAOYSA-N 1 0 442.987 5.064 50 0 IKAARO C[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)Oc1cccc(C[NH+]2CCSCC2)c1 ZINC000012100320 524459720 /nfs/dbraw/zinc/45/97/20/524459720.db2.gz HGIANZMUWDPQAF-OAQYLSRUSA-N 1 0 446.616 5.100 50 0 IKAARO Cc1ccc(COc2ccc(Br)cc2C[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000020874633 524628022 /nfs/dbraw/zinc/62/80/22/524628022.db2.gz TUCXPKRUVVVVED-QFIPXVFZSA-N 1 0 426.354 5.160 50 0 IKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NC4CCCC4)CC3)cc3ccccc32)cc1 ZINC000021116206 524766075 /nfs/dbraw/zinc/76/60/75/524766075.db2.gz HYEHZLKMUUHHNR-UHFFFAOYSA-N 1 0 429.608 5.269 50 0 IKAARO COc1ccc(OC[C@H]2CCC[N@H+](Cc3nc(-c4cccc(F)c4F)oc3C)C2)cc1 ZINC000012751193 524971690 /nfs/dbraw/zinc/97/16/90/524971690.db2.gz LJFBQFQMRVVHJH-KRWDZBQOSA-N 1 0 428.479 5.228 50 0 IKAARO COc1ccc(OC[C@H]2CCC[N@H+](Cc3nc(-c4ccc(F)c(OC)c4)oc3C)C2)cc1 ZINC000012575333 524971781 /nfs/dbraw/zinc/97/17/81/524971781.db2.gz UUCLJVQBOBDWTI-SFHVURJKSA-N 1 0 440.515 5.097 50 0 IKAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 ZINC000012536960 525078032 /nfs/dbraw/zinc/07/80/32/525078032.db2.gz KYKUUNRJMUXBHC-UHFFFAOYSA-N 1 0 434.609 5.246 50 0 IKAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)CCc2ccccc2)CC1 ZINC000012315107 525136428 /nfs/dbraw/zinc/13/64/28/525136428.db2.gz DOVXBODQZPRLRU-UHFFFAOYSA-N 1 0 441.619 5.264 50 0 IKAARO Cc1cc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCc4ccccc4C3)C2)ccc1Br ZINC000020532116 525175695 /nfs/dbraw/zinc/17/56/95/525175695.db2.gz DBXGERCNGFUEJA-SFHVURJKSA-N 1 0 442.401 5.060 50 0 IKAARO Cc1ccccc1Cn1cccc1C[N@H+](C[C@H](O)COCc1ccccc1)C1CCCCC1 ZINC000035840752 525211277 /nfs/dbraw/zinc/21/12/77/525211277.db2.gz LFJAHKJWQZYNGO-LJAQVGFWSA-N 1 0 446.635 5.557 50 0 IKAARO C[C@H]([NH2+]C1CCN(c2cccc(NC(=O)c3ccncc3)c2)CC1)c1ccc(Cl)cc1 ZINC000015068816 525296042 /nfs/dbraw/zinc/29/60/42/525296042.db2.gz YMKUHGQVCWTRDC-SFHVURJKSA-N 1 0 434.971 5.307 50 0 IKAARO Cc1ccccc1OC[C@@H](O)C[N@@H+](CCC(C)C)Cc1cccn1Cc1ccccc1F ZINC000035840627 525307510 /nfs/dbraw/zinc/30/75/10/525307510.db2.gz LYVKRPGHMNOOFJ-VWLOTQADSA-N 1 0 438.587 5.272 50 0 IKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCc2cn(Cc3ccccc3F)c3ccccc23)C1 ZINC000021527961 525384029 /nfs/dbraw/zinc/38/40/29/525384029.db2.gz KUFRIVOLKWWOIS-SZPZYZBQSA-N 1 0 449.614 5.246 50 0 IKAARO C[C@@H]([NH2+]CCSc1ccc(Cl)cc1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012820129 525455862 /nfs/dbraw/zinc/45/58/62/525455862.db2.gz LWUARQFBSWANHW-GFCCVEGCSA-N 1 0 448.038 5.809 50 0 IKAARO Cc1cc2oc(=O)cc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2cc1C ZINC000020479762 525690485 /nfs/dbraw/zinc/69/04/85/525690485.db2.gz WSWCHONXZJTHNX-UHFFFAOYSA-N 1 0 438.571 5.317 50 0 IKAARO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](C[C@H](C)c2ccccc2)C3)c1OC ZINC000020999443 525712157 /nfs/dbraw/zinc/71/21/57/525712157.db2.gz QQCMIWVEXIISPY-IBGZPJMESA-N 1 0 433.548 5.378 50 0 IKAARO Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)C[N@H+]3CCCC[C@H]3C)n2)cc1 ZINC000021659574 525714759 /nfs/dbraw/zinc/71/47/59/525714759.db2.gz YLKLRKIQIHCNQN-GOSISDBHSA-N 1 0 434.971 5.585 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3ccc(F)c(OC)c3)CC2)c1 ZINC000012592420 525715226 /nfs/dbraw/zinc/71/52/26/525715226.db2.gz JAXPMLAZMYRGSR-UHFFFAOYSA-N 1 0 448.538 5.361 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](CC[C@H](C)c3ccccc3)CC2)c1 ZINC000012196742 525716559 /nfs/dbraw/zinc/71/65/59/525716559.db2.gz SHVLDLLOVXLOIS-QFIPXVFZSA-N 1 0 442.603 6.207 50 0 IKAARO Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)o2)cc1Cl ZINC000012843023 525742564 /nfs/dbraw/zinc/74/25/64/525742564.db2.gz BECQFNHALMTAOA-ZRDIBKRKSA-N 1 0 435.955 5.312 50 0 IKAARO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)[NH+]2CCC(C)CC2)o1 ZINC000015860530 525762289 /nfs/dbraw/zinc/76/22/89/525762289.db2.gz OKHSLLICTOTDDB-HXUWFJFHSA-N 1 0 427.932 5.099 50 0 IKAARO Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)[NH+]2CCC(C)CC2)o1 ZINC000021659836 525763883 /nfs/dbraw/zinc/76/38/83/525763883.db2.gz OCYGBMOFBAVSND-HXUWFJFHSA-N 1 0 428.960 5.807 50 0 IKAARO Cc1ccc([C@@H](CNc2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)[NH+](C)C)o1 ZINC000041157327 525765133 /nfs/dbraw/zinc/76/51/33/525765133.db2.gz DOVJGEZVCCMXHO-HXUWFJFHSA-N 1 0 439.519 5.568 50 0 IKAARO Cc1ccc([C@H](C)CC[N@@H+]2CCC[C@@H](c3nc(SCc4cccnc4)ncc3C)C2)o1 ZINC000012152301 525875642 /nfs/dbraw/zinc/87/56/42/525875642.db2.gz HHSDWTZYUSYUHQ-XMSQKQJNSA-N 1 0 436.625 5.747 50 0 IKAARO COc1cccc(CC[NH+]2CCC(CNC(=O)Nc3ccccc3-c3ccccc3)CC2)c1 ZINC000020889966 525892634 /nfs/dbraw/zinc/89/26/34/525892634.db2.gz VOYBMJSTZMQKKP-UHFFFAOYSA-N 1 0 443.591 5.438 50 0 IKAARO Cc1ccc(-n2c(SC[C@H]3C[N@H+](CC(C)C)CCO3)nnc2-c2ccccc2)cc1C ZINC000013145867 525901555 /nfs/dbraw/zinc/90/15/55/525901555.db2.gz CTGFEBZDJMGKFP-HSZRJFAPSA-N 1 0 436.625 5.000 50 0 IKAARO COc1cccc(C[N@@H+](CC(=O)N2CCS[C@@H]2c2ccccc2Cl)CC(C)C)c1 ZINC000035843629 525921094 /nfs/dbraw/zinc/92/10/94/525921094.db2.gz OISVJDUJIGRRBM-HSZRJFAPSA-N 1 0 433.017 5.081 50 0 IKAARO Cc1ccc(-n2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C2CC[NH2+]CC2)cc1C ZINC000020320795 525931726 /nfs/dbraw/zinc/93/17/26/525931726.db2.gz BNJHJNRQGUMMCR-UHFFFAOYSA-N 1 0 442.485 5.227 50 0 IKAARO COc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)c1 ZINC000012112287 525932208 /nfs/dbraw/zinc/93/22/08/525932208.db2.gz IREJGIFRNDUYFM-UHFFFAOYSA-N 1 0 434.511 5.477 50 0 IKAARO CSc1ccc(C[NH+]2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)cc1 ZINC000012432027 525989071 /nfs/dbraw/zinc/98/90/71/525989071.db2.gz FVXJBIBSUXZZOB-UHFFFAOYSA-N 1 0 448.636 5.404 50 0 IKAARO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000034683150 526126867 /nfs/dbraw/zinc/12/68/67/526126867.db2.gz ZEPQVPDDLPGFGZ-UHFFFAOYSA-N 1 0 440.996 5.722 50 0 IKAARO C[C@@H](c1cccs1)N(C)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012373432 526143533 /nfs/dbraw/zinc/14/35/33/526143533.db2.gz VMDXMXPXFNCVCP-IBGZPJMESA-N 1 0 435.593 5.020 50 0 IKAARO Cc1ccc(C(=O)NCCOc2ccc(C[N@@H+](C)Cc3cccc4ccccc43)cc2)s1 ZINC000012281563 526168262 /nfs/dbraw/zinc/16/82/62/526168262.db2.gz NABLVQUSWMIZKN-UHFFFAOYSA-N 1 0 444.600 5.651 50 0 IKAARO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH2+][C@H](C)Cc4ccsc4)CC3)cc2)c(C)c1 ZINC000011881114 526221886 /nfs/dbraw/zinc/22/18/86/526221886.db2.gz PLNYJDYFKZJGSN-OAQYLSRUSA-N 1 0 447.648 5.807 50 0 IKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([NH2+][C@H]5CCCC[C@@H]5C)C4=O)cc3)sc2c1 ZINC000033293654 526241529 /nfs/dbraw/zinc/24/15/29/526241529.db2.gz DVJSWUYRKLDTMP-LRQRDZAKSA-N 1 0 433.577 5.072 50 0 IKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([NH2+][C@@H]5CCCC[C@@H]5C)C4=O)cc3)sc2c1 ZINC000036047211 526241545 /nfs/dbraw/zinc/24/15/45/526241545.db2.gz DVJSWUYRKLDTMP-SCWSEQNSSA-N 1 0 433.577 5.072 50 0 IKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916062 526247744 /nfs/dbraw/zinc/24/77/44/526247744.db2.gz LSAHWPPRDMPPKW-NRFANRHFSA-N 1 0 448.611 5.056 50 0 IKAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(Oc4ccccc4)cc3)sc2c1 ZINC000012140916 526251135 /nfs/dbraw/zinc/25/11/35/526251135.db2.gz XMOUFROUTKSZHI-UHFFFAOYSA-N 1 0 445.588 5.996 50 0 IKAARO Cc1ccc2nc3sc(C(=O)NCC[N@H+](Cc4ccco4)C4CCCC4)cc3cc2c1 ZINC000021087471 526257079 /nfs/dbraw/zinc/25/70/79/526257079.db2.gz QNLCJPKOJUABPH-UHFFFAOYSA-N 1 0 433.577 5.526 50 0 IKAARO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2cccc(-c3cccs3)c2n1 ZINC000021705077 526264480 /nfs/dbraw/zinc/26/44/80/526264480.db2.gz CRHRFWVVWCEEKU-UHFFFAOYSA-N 1 0 441.600 5.666 50 0 IKAARO O[C@H](C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1 ZINC000020876509 526278663 /nfs/dbraw/zinc/27/86/63/526278663.db2.gz UTCIBSBILDZYNI-OAQYLSRUSA-N 1 0 446.772 5.505 50 0 IKAARO O[C@]1(C(F)(F)F)C2=C(CC[C@@H](c3ccccc3)C2)[NH2+]N1c1nc(-c2ccccc2)cs1 ZINC000035999485 526319197 /nfs/dbraw/zinc/31/91/97/526319197.db2.gz YEJCZMYYHNDOTN-FGSXEWAUSA-N 1 0 443.494 5.821 50 0 IKAARO Oc1ccc(C[NH+]2CCC(n3c4ccc(F)cc4nc3-c3ccc4c(c3)OCO4)CC2)cc1 ZINC000012149689 526345114 /nfs/dbraw/zinc/34/51/14/526345114.db2.gz YXNBNOVMMVXIEU-UHFFFAOYSA-N 1 0 445.494 5.114 50 0 IKAARO c1c(C[NH+]2CCC(c3ccncc3)CC2)c(-c2ccc3c(c2)OCO3)nn1-c1ccccc1 ZINC000012304164 526398368 /nfs/dbraw/zinc/39/83/68/526398368.db2.gz SFSGSXZJROLACE-UHFFFAOYSA-N 1 0 438.531 5.043 50 0 IKAARO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000022073844 526411834 /nfs/dbraw/zinc/41/18/34/526411834.db2.gz ZPBBVTVEOXLMKA-UHFFFAOYSA-N 1 0 444.388 6.082 50 0 IKAARO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000022073842 526411941 /nfs/dbraw/zinc/41/19/41/526411941.db2.gz DWPRAQZIHURVDP-UHFFFAOYSA-N 1 0 444.388 6.226 50 0 IKAARO c1ccc(CCN2CCC([NH+]3CCC(n4c5ncccc5nc4C4CCC4)CC3)CC2)cc1 ZINC000011839408 526464992 /nfs/dbraw/zinc/46/49/92/526464992.db2.gz TUIAFLIUAJRSCQ-UHFFFAOYSA-N 1 0 443.639 5.043 50 0 IKAARO Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000020914412 526493574 /nfs/dbraw/zinc/49/35/74/526493574.db2.gz ZCJPURAVWQQDGO-UHFFFAOYSA-N 1 0 439.563 5.359 50 0 IKAARO O=C(CC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1)NCc1ccccc1Cl ZINC000012305941 526569703 /nfs/dbraw/zinc/56/97/03/526569703.db2.gz MYEWOESSJMOTGC-LJQANCHMSA-N 1 0 436.987 5.039 50 0 IKAARO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cs1 ZINC000012912223 526580100 /nfs/dbraw/zinc/58/01/00/526580100.db2.gz HNDRGTKQIJZJKV-UHFFFAOYSA-N 1 0 439.584 5.387 50 0 IKAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000012586012 526580435 /nfs/dbraw/zinc/58/04/35/526580435.db2.gz UYXLDLFAEQMZOK-JOCHJYFZSA-N 1 0 427.504 5.169 50 0 IKAARO c1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C[NH2+]Cc1ccccc1 ZINC000091690480 526614436 /nfs/dbraw/zinc/61/44/36/526614436.db2.gz BRBDIPIRXJYUPD-UHFFFAOYSA-N 1 0 429.567 6.013 50 0 IKAARO c1ncn(CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)c2ccccc2)n1 ZINC000012301974 526616669 /nfs/dbraw/zinc/61/66/69/526616669.db2.gz JVLJOKUZPVHCRS-AREMUKBSSA-N 1 0 434.547 5.256 50 0 IKAARO c1sc(-c2ccccc2)nc1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022036033 526628801 /nfs/dbraw/zinc/62/88/01/526628801.db2.gz HOELJDWZNGCDKL-UHFFFAOYSA-N 1 0 425.601 5.717 50 0 IKAARO Cc1nc(C(=O)N(CC2CC[NH+](CCc3ccccc3C)CC2)C2CCCC2)cs1 ZINC000012592415 526637225 /nfs/dbraw/zinc/63/72/25/526637225.db2.gz RVESNCIJVVOKNB-UHFFFAOYSA-N 1 0 425.642 5.099 50 0 IKAARO O=C(CCc1ncc(-c2ccc(F)cc2)o1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000012804014 526658484 /nfs/dbraw/zinc/65/84/84/526658484.db2.gz PKMUMOADCWJIKO-NRFANRHFSA-N 1 0 441.934 5.020 50 0 IKAARO O=C(NCc1ccc(Cl)cc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000016478900 526661954 /nfs/dbraw/zinc/66/19/54/526661954.db2.gz JBCHGBVUGOJQDO-UHFFFAOYSA-N 1 0 432.995 5.725 50 0 IKAARO O=C(c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)N1CC[C@H](C2CCCCC2)C1 ZINC000012308652 526707318 /nfs/dbraw/zinc/70/73/18/526707318.db2.gz LXLQMACMPUZGNK-DEOSSOPVSA-N 1 0 447.623 5.167 50 0 IKAARO Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)nc1C ZINC000012464849 526716229 /nfs/dbraw/zinc/71/62/29/526716229.db2.gz UHWOTMXLWTUBPO-JOCHJYFZSA-N 1 0 432.543 5.059 50 0 IKAARO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682198 526728741 /nfs/dbraw/zinc/72/87/41/526728741.db2.gz LAXKGICNGIMETQ-UHFFFAOYSA-N 1 0 449.620 5.466 50 0 IKAARO O=C(c1ccccn1)N([C@H](Cc1ccccc1)C1CC[NH+](C[C@H]2CC=CCC2)CC1)C1CC1 ZINC000012281345 526813923 /nfs/dbraw/zinc/81/39/23/526813923.db2.gz YKEKAGAVKIKMBH-RBJSKKJNSA-N 1 0 443.635 5.366 50 0 IKAARO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012748959 526890665 /nfs/dbraw/zinc/89/06/65/526890665.db2.gz ZKPFDGFTSOIWBF-CYFREDJKSA-N 1 0 447.629 5.443 50 0 IKAARO O=C(c1nc2ccc(Cl)cn2c1C[NH2+]C1(c2ccccc2)CC1)N1CCCCCCC1 ZINC000012314890 526916585 /nfs/dbraw/zinc/91/65/85/526916585.db2.gz JIAOJQQNKMVWRR-UHFFFAOYSA-N 1 0 436.987 5.173 50 0 IKAARO Clc1cccc(-c2ccc(C[NH2+]Cc3ccc(CN4CCOCC4)cc3)o2)c1Cl ZINC000021841516 526970865 /nfs/dbraw/zinc/97/08/65/526970865.db2.gz RIYAGPKYENSPJQ-UHFFFAOYSA-N 1 0 431.363 5.375 50 0 IKAARO Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]C2CCCCCC2)C4)cs1 ZINC000012218464 527037869 /nfs/dbraw/zinc/03/78/69/527037869.db2.gz HDXCYOOUYHQURO-PBHICJAKSA-N 1 0 442.654 5.002 50 0 IKAARO O=C(Nc1ccc(F)cc1)[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000012567908 527202385 /nfs/dbraw/zinc/20/23/85/527202385.db2.gz GZAUTCLIFAWKCK-SANMLTNESA-N 1 0 431.555 5.281 50 0 IKAARO O=C(Nc1ccc(N2CCC([NH2+]CCc3cccc(Cl)c3)CC2)cc1)C1CCCC1 ZINC000012041086 527221435 /nfs/dbraw/zinc/22/14/35/527221435.db2.gz MYWOQFBZHSAASY-UHFFFAOYSA-N 1 0 426.004 5.270 50 0 IKAARO Cc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)s1 ZINC000012430669 527256072 /nfs/dbraw/zinc/25/60/72/527256072.db2.gz NPGLHCSJACYFTB-FQEVSTJZSA-N 1 0 430.577 5.451 50 0 IKAARO O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ccc(-c3ccco3)cc2)CC1 ZINC000012591264 527283789 /nfs/dbraw/zinc/28/37/89/527283789.db2.gz PTYILFGECYMYML-UHFFFAOYSA-N 1 0 440.547 5.161 50 0 IKAARO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000020725874 527307657 /nfs/dbraw/zinc/30/76/57/527307657.db2.gz XDLSFLNJXKQLAZ-UHFFFAOYSA-N 1 0 425.532 5.391 50 0 IKAARO O=C(Nc1cccc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)c1)c1ccccc1Cl ZINC000022912356 527337725 /nfs/dbraw/zinc/33/77/25/527337725.db2.gz DCYYNEUBJGBUKC-HSZRJFAPSA-N 1 0 437.971 5.502 50 0 IKAARO O=C(Nc1cccc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c1)c1ccccc1Cl ZINC000022912358 527338371 /nfs/dbraw/zinc/33/83/71/527338371.db2.gz DCYYNEUBJGBUKC-QHCPKHFHSA-N 1 0 437.971 5.502 50 0 IKAARO O=C(Nc1cccc(N2CCC([NH2+]CC[C@H](c3ccco3)c3ccccc3)CC2)c1)C1CC1 ZINC000012247932 527357079 /nfs/dbraw/zinc/35/70/79/527357079.db2.gz WJWBCNOQLNTOCA-SANMLTNESA-N 1 0 443.591 5.409 50 0 IKAARO O=C(Nc1ccnn1C1CC[NH+](C2CCCCCCC2)CC1)Nc1ccccc1Cl ZINC000014961811 527460181 /nfs/dbraw/zinc/46/01/81/527460181.db2.gz OSMULVRICOSSKJ-UHFFFAOYSA-N 1 0 429.996 5.930 50 0 IKAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)c1cccc(F)c1 ZINC000012453362 527461334 /nfs/dbraw/zinc/46/13/34/527461334.db2.gz UVGXPAJUPHTJPF-UHFFFAOYSA-N 1 0 446.448 5.130 50 0 IKAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cc3ccccc3s2)CC1)c1cccc(F)c1 ZINC000012704691 527461619 /nfs/dbraw/zinc/46/16/19/527461619.db2.gz RWCOZJFXUIUUDE-UHFFFAOYSA-N 1 0 434.540 5.326 50 0 IKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccnc1Sc1ccc(Cl)cc1 ZINC000012874757 527530359 /nfs/dbraw/zinc/53/03/59/527530359.db2.gz CWRSGTNFCZBNIV-UHFFFAOYSA-N 1 0 437.996 5.281 50 0 IKAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575544 527609842 /nfs/dbraw/zinc/60/98/42/527609842.db2.gz YUIALBPOKYXZMH-UHFFFAOYSA-N 1 0 432.955 5.012 50 0 IKAARO O[C@@H](COCc1ccccc1)C[N@H+](Cc1cccn1Cc1ccccc1)C1CCCCC1 ZINC000035840436 527658478 /nfs/dbraw/zinc/65/84/78/527658478.db2.gz QMANSBFNPVSWMB-MUUNZHRXSA-N 1 0 432.608 5.249 50 0 IKAARO O=C(C[NH+]1CCCCCC1)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000000754174 555553904 /nfs/dbraw/zinc/55/39/04/555553904.db2.gz UREVDDNGVVTZGZ-AREMUKBSSA-N 1 0 433.640 5.785 50 0 IKAARO CC[NH+](CC)CCOc1ccc([C@](O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1 ZINC000001692389 555709588 /nfs/dbraw/zinc/70/95/88/555709588.db2.gz SYHDSBBKRLVLFF-MHZLTWQESA-N 1 0 438.011 5.848 50 0 biogenic,in-man IKAARO Clc1ccc(-c2csc3ncnc(N4CC[NH+](C/C=C/c5ccccc5)CC4)c23)cc1 ZINC000001857156 555720859 /nfs/dbraw/zinc/72/08/59/555720859.db2.gz HFCIWCANOYERPS-QPJJXVBHSA-N 1 0 447.007 5.847 50 0 IKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)C[NH+]3CCCCC3)c2c(C)c1 ZINC000002083383 555738882 /nfs/dbraw/zinc/73/88/82/555738882.db2.gz JPRHZCNGHYNCPY-AREMUKBSSA-N 1 0 438.615 6.439 50 0 IKAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000002177975 555752740 /nfs/dbraw/zinc/75/27/40/555752740.db2.gz DMEJWDPKCIUKQG-QGZVFWFLSA-N 1 0 426.354 5.888 50 0 IKAARO CCN(C)C(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2 ZINC000034671569 555793018 /nfs/dbraw/zinc/79/30/18/555793018.db2.gz ROOMXRGYCUNMFW-JIPXPUAJSA-N 1 0 428.576 5.080 50 0 IKAARO CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000034671684 555793033 /nfs/dbraw/zinc/79/30/33/555793033.db2.gz HMYDGHQJZPGQCZ-WUFINQPMSA-N 1 0 442.603 5.436 50 0 IKAARO CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000034671803 555793069 /nfs/dbraw/zinc/79/30/69/555793069.db2.gz DSRVWTDQIQUZFF-ZBLYBZFDSA-N 1 0 428.576 5.046 50 0 IKAARO CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000034671682 555793077 /nfs/dbraw/zinc/79/30/77/555793077.db2.gz HMYDGHQJZPGQCZ-IZLXSDGUSA-N 1 0 442.603 5.436 50 0 IKAARO O=C(c1cccc(F)c1)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C[NH+]2CCCCC2)C1 ZINC000034698001 555811799 /nfs/dbraw/zinc/81/17/99/555811799.db2.gz LFGAMHITTZXTMW-KNQAVFIVSA-N 1 0 434.477 5.186 50 0 IKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccco2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698748 555812101 /nfs/dbraw/zinc/81/21/01/555812101.db2.gz RYCIYFBAXZVXOO-ATIYNZHBSA-N 1 0 434.555 5.494 50 0 IKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]2c2ccccc2)cc1 ZINC000034698957 555812382 /nfs/dbraw/zinc/81/23/82/555812382.db2.gz HRYOTVQVQADQEG-IXCJQBJRSA-N 1 0 441.619 5.404 50 0 IKAARO Cc1ccc(C[N@H+]2C[C@H](CN(C(=O)c3ccccc3)C(C)C)[C@@H](c3ccccc3C)C2)o1 ZINC000034698793 555812527 /nfs/dbraw/zinc/81/25/27/555812527.db2.gz ZCEGTUVNOFCGKF-SQHAQQRYSA-N 1 0 430.592 5.663 50 0 IKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccco2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000034699030 555812783 /nfs/dbraw/zinc/81/27/83/555812783.db2.gz UZLQUDHJFTYUQQ-JYFHCDHNSA-N 1 0 434.555 5.433 50 0 IKAARO CCOc1ccccc1C[N@H+](CCc1ccc2c(c1)OCO2)Cc1ccc(OC)c(OC)c1 ZINC000002768807 555814542 /nfs/dbraw/zinc/81/45/42/555814542.db2.gz RGNGRMFUMDTHLB-UHFFFAOYSA-N 1 0 449.547 5.076 50 0 biogenic IKAARO Cc1ccc([C@H]2C[N@@H+](Cc3cccn3C)C[C@@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000034699097 555814958 /nfs/dbraw/zinc/81/49/58/555814958.db2.gz OTBQZSDHSBFOAD-XNMGPUDCSA-N 1 0 429.608 5.100 50 0 IKAARO CC[C@@H](C(=O)Nc1ccc(N2CCC[N@H+](Cc3cccc(F)c3)CC2)nc1)c1ccccc1 ZINC000034681892 555815649 /nfs/dbraw/zinc/81/56/49/555815649.db2.gz KEPVZRORLUARHL-RUZDIDTESA-N 1 0 446.570 5.065 50 0 IKAARO COc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000034682509 555816387 /nfs/dbraw/zinc/81/63/87/555816387.db2.gz BORUXXIVTQUVFV-UHFFFAOYSA-N 1 0 442.603 6.130 50 0 IKAARO COc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000034682502 555816408 /nfs/dbraw/zinc/81/64/08/555816408.db2.gz PKJCPAGVKRORMP-UHFFFAOYSA-N 1 0 434.967 5.660 50 0 IKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000034682632 555816837 /nfs/dbraw/zinc/81/68/37/555816837.db2.gz BEPSCVIOKHRTTR-UHFFFAOYSA-N 1 0 448.538 5.154 50 0 IKAARO COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000034682707 555817156 /nfs/dbraw/zinc/81/71/56/555817156.db2.gz WLLQQPFUSLTWOE-UHFFFAOYSA-N 1 0 440.996 5.722 50 0 IKAARO O=C(c1cccc(Cl)c1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccs2)CC1 ZINC000034682667 555817189 /nfs/dbraw/zinc/81/71/89/555817189.db2.gz FUROSGHZSGKMCP-UHFFFAOYSA-N 1 0 428.960 5.852 50 0 IKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(C)cc3)CC2)c1OC ZINC000034682944 555817479 /nfs/dbraw/zinc/81/74/79/555817479.db2.gz RGHDIWUAXNNBPG-UHFFFAOYSA-N 1 0 444.575 5.324 50 0 IKAARO COc1cc(C[NH+]2CCC(N(C(=O)c3cccc(C)c3)c3ccc(C)cc3)CC2)ccc1O ZINC000034683359 555818757 /nfs/dbraw/zinc/81/87/57/555818757.db2.gz GIXMUESCTNOPBW-UHFFFAOYSA-N 1 0 444.575 5.329 50 0 IKAARO COc1cc(C[NH+]2CCC(N(C(=O)c3ccccc3F)c3ccc(C)cc3)CC2)ccc1O ZINC000034683328 555818778 /nfs/dbraw/zinc/81/87/78/555818778.db2.gz SWYOCAYHHFJESO-UHFFFAOYSA-N 1 0 448.538 5.160 50 0 IKAARO Cc1ccc(S(=O)(=O)N(c2ccc(C)c(F)c2)C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000034683878 555819535 /nfs/dbraw/zinc/81/95/35/555819535.db2.gz IBWOSKHCNQPZGP-UHFFFAOYSA-N 1 0 432.605 5.148 50 0 IKAARO Cc1cccc([C@H]2C[C@H](C(=O)NCCc3ccccc3)C[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000034711211 555824466 /nfs/dbraw/zinc/82/44/66/555824466.db2.gz YDMKWTYGMQDKGS-UIOOFZCWSA-N 1 0 430.567 5.099 50 0 IKAARO Cc1cccc([C@@H]2C[C@H](C(=O)NCc3cccc(F)c3)C[N@H+](Cc3ccccc3F)C2)c1 ZINC000034711418 555824484 /nfs/dbraw/zinc/82/44/84/555824484.db2.gz YBHSIBMBIOMRIC-RPWUZVMVSA-N 1 0 434.530 5.195 50 0 IKAARO O=C(C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1)N1CCc2ccccc2C1 ZINC000002828241 555831503 /nfs/dbraw/zinc/83/15/03/555831503.db2.gz NRPLQZLUTNAHIQ-UHFFFAOYSA-N 1 0 440.587 5.063 50 0 IKAARO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)cc(I)c1OC(C)C ZINC000002863714 555846420 /nfs/dbraw/zinc/84/64/20/555846420.db2.gz YQOQQCJSJXOSBT-OAHLLOKOSA-N 1 0 439.337 5.328 50 0 IKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2cccc3ccccc32)cc1 ZINC000002870040 555849350 /nfs/dbraw/zinc/84/93/50/555849350.db2.gz MXVJGZJJYDRWDM-UHFFFAOYSA-N 1 0 439.555 6.212 50 0 IKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2ccc(OC)c(OC)c2)cc1 ZINC000002870348 555849376 /nfs/dbraw/zinc/84/93/76/555849376.db2.gz NIHQGIYIOVZJLS-UHFFFAOYSA-N 1 0 449.547 5.076 50 0 IKAARO COc1ccc(C[N@H+](CCc2ccccc2)Cc2ccccc2)cc1OCc1ccccc1 ZINC000002893953 555859890 /nfs/dbraw/zinc/85/98/90/555859890.db2.gz WGSFHARFJCITJV-UHFFFAOYSA-N 1 0 437.583 6.519 50 0 IKAARO FC(F)(F)c1cccc([C@@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]2C[NH+]2CCCCC2)c1 ZINC000034723289 555861674 /nfs/dbraw/zinc/86/16/74/555861674.db2.gz XSYUPDUXSVZVGK-REWPJTCUSA-N 1 0 436.949 6.060 50 0 IKAARO O=C(NCc1ccccc1F)[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739927 555882949 /nfs/dbraw/zinc/88/29/49/555882949.db2.gz JLVMWHNVEXFVBI-WIOPSUGQSA-N 1 0 436.958 5.749 50 0 IKAARO O=C(NCc1ccccc1F)[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739928 555883002 /nfs/dbraw/zinc/88/30/02/555883002.db2.gz JLVMWHNVEXFVBI-RDGATRHJSA-N 1 0 436.958 5.749 50 0 IKAARO O=C(NCc1ccccc1F)[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739926 555883017 /nfs/dbraw/zinc/88/30/17/555883017.db2.gz JLVMWHNVEXFVBI-DHLKQENFSA-N 1 0 436.958 5.749 50 0 IKAARO COc1cccc([C@@H]2C[N@H+](Cc3sccc3C)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740310 555883264 /nfs/dbraw/zinc/88/32/64/555883264.db2.gz REBILFASLJNVIA-VWNXMTODSA-N 1 0 442.669 5.421 50 0 IKAARO COc1cccc([C@H]2C[N@H+](Cc3cccs3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740309 555883334 /nfs/dbraw/zinc/88/33/34/555883334.db2.gz FTEMDHPRYDJKCC-ZJSXRUAMSA-N 1 0 428.642 5.113 50 0 IKAARO Cc1ccsc1C[N@H+]1C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@H](c2cccc(F)c2)C1 ZINC000034740469 555883594 /nfs/dbraw/zinc/88/35/94/555883594.db2.gz QHFBKWCRDQTFGI-GMAHTHKFSA-N 1 0 430.633 5.552 50 0 IKAARO CC(C)C(=O)N(C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1c1cccc(F)c1)C(C)C ZINC000034740807 555883973 /nfs/dbraw/zinc/88/39/73/555883973.db2.gz NUMPGQUHOIMTSA-XUZZJYLKSA-N 1 0 430.995 5.588 50 0 IKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cn2cc(-c3ccccc3Cl)ccc2n1 ZINC000034831002 555911945 /nfs/dbraw/zinc/91/19/45/555911945.db2.gz DXKHXDYTVZXPAZ-UHFFFAOYSA-N 1 0 444.966 5.049 50 0 IKAARO CCOc1cccc(-c2cccc(-c3nc(C[N@@H+]4CC[C@@H]5CCCC[C@@H]5C4)cs3)c2)c1 ZINC000034899324 555928909 /nfs/dbraw/zinc/92/89/09/555928909.db2.gz DJZKPJUAJVORQP-GBXCKJPGSA-N 1 0 432.633 6.888 50 0 IKAARO CN(C(=O)c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000034922149 555932663 /nfs/dbraw/zinc/93/26/63/555932663.db2.gz OVJFHRNHMOQIEG-UHFFFAOYSA-N 1 0 445.538 5.255 50 0 IKAARO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[n+]1c2ccccc2n(C)c1COc1ccccc1 ZINC000003878733 555950535 /nfs/dbraw/zinc/95/05/35/555950535.db2.gz HACNGQQLOZYIEB-JLRUASKGSA-N 1 0 435.588 5.049 50 0 biogenic IKAARO CC(C)(C)c1cc(C[N@H+](CCc2ccccc2)Cc2ccccc2)cc(C(C)(C)C)c1O ZINC000004987765 556025839 /nfs/dbraw/zinc/02/58/39/556025839.db2.gz UHHUAHDGMDLXJH-UHFFFAOYSA-N 1 0 429.648 7.232 50 0 IKAARO CCOc1cc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc(OCC)c1OCC ZINC000004991165 556025913 /nfs/dbraw/zinc/02/59/13/556025913.db2.gz KFHOJGBKWPOMHM-UHFFFAOYSA-N 1 0 426.557 5.121 50 0 IKAARO CCOc1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000005593081 556060423 /nfs/dbraw/zinc/06/04/23/556060423.db2.gz WCWOKWLNOFISHM-NDEPHWFRSA-N 1 0 427.568 5.403 50 0 IKAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(C(C)C)cc1)N(CCC[NH+](C)C)C3=O ZINC000002704257 556123611 /nfs/dbraw/zinc/12/36/11/556123611.db2.gz HSYMGPNDNYBEEU-XMMPIXPASA-N 1 0 432.564 5.030 50 0 IKAARO Cc1ccccc1OCc1n(C)c2ccccc2[n+]1CC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000003014790 556155888 /nfs/dbraw/zinc/15/58/88/556155888.db2.gz OHZBSGJYECCCNY-UNIVCBNLSA-N 1 0 449.615 5.357 50 0 IKAARO CC(C)(C)c1ccc([C@H]([NH+]2CCCCC2)[P@](=O)(c2ccccc2)N2CCCCC2)cc1 ZINC000008306331 556156358 /nfs/dbraw/zinc/15/63/58/556156358.db2.gz NGUXLPQALAJFEY-MXBOTTGLSA-N 1 0 438.596 6.558 50 0 IKAARO CCC[N@H+](CC1CC1)[C@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O ZINC000008414700 556167344 /nfs/dbraw/zinc/16/73/44/556167344.db2.gz FMWUSZZVKQEKSI-NRFANRHFSA-N 1 0 433.577 5.026 50 0 IKAARO CC[C@H]1CCCC[N@@H+]1[C@@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O ZINC000008414662 556167366 /nfs/dbraw/zinc/16/73/66/556167366.db2.gz SKFHLRLOYXFONB-GHTZIAJQSA-N 1 0 433.577 5.168 50 0 IKAARO COc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1OCc1ccc(Cl)cc1Cl ZINC000008443458 556178397 /nfs/dbraw/zinc/17/83/97/556178397.db2.gz SUWISCUGVOWNET-UHFFFAOYSA-N 1 0 446.418 6.639 50 0 IKAARO Cc1ccc(C[NH+]2CCC(CNc3ncnc4onc(-c5ccc(F)cc5)c43)CC2)cc1 ZINC000008595327 556190257 /nfs/dbraw/zinc/19/02/57/556190257.db2.gz ASYNEMWUNLONHE-UHFFFAOYSA-N 1 0 431.515 5.056 50 0 IKAARO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000009601163 556302426 /nfs/dbraw/zinc/30/24/26/556302426.db2.gz VCZPNLSZNSPNFS-UHFFFAOYSA-N 1 0 449.035 5.091 50 0 IKAARO CC1(C)Cc2c3c(ncn4nc(-c5ccc6ccccc6c5O)nc34)sc2C(C)(C)[NH2+]1 ZINC000013786225 556309110 /nfs/dbraw/zinc/30/91/10/556309110.db2.gz MCNLBWGWSAHPSA-UHFFFAOYSA-N 1 0 429.549 5.024 50 0 IKAARO Cc1ccc(C2=NN3[C@@H](C2)c2cc(C)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013788063 556309453 /nfs/dbraw/zinc/30/94/53/556309453.db2.gz LUGXZEVPDSZPSI-MHZLTWQESA-N 1 0 437.587 5.839 50 0 IKAARO Cc1ccc(C2=NN3[C@H](C2)c2cc(C)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013788065 556309563 /nfs/dbraw/zinc/30/95/63/556309563.db2.gz LUGXZEVPDSZPSI-HHHXNRCGSA-N 1 0 437.587 5.839 50 0 IKAARO Cc1ccc2c(c1)[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN1C1(CC[NH+](C(C)C)CC1)O2 ZINC000013788224 556309850 /nfs/dbraw/zinc/30/98/50/556309850.db2.gz CSVYUOYFXBDRLA-QFIPXVFZSA-N 1 0 444.406 6.046 50 0 IKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2ccc(SC)cc2)cc1 ZINC000009860928 556314267 /nfs/dbraw/zinc/31/42/67/556314267.db2.gz LSWCYRQKLGYGDA-UHFFFAOYSA-N 1 0 435.589 5.781 50 0 IKAARO COc1ccc(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1OCc1ccccc1 ZINC000009933427 556316880 /nfs/dbraw/zinc/31/68/80/556316880.db2.gz XQWPPHISSMSWKL-UHFFFAOYSA-N 1 0 442.603 5.297 50 0 IKAARO CCC[C@@H]([NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 ZINC000010315456 556330368 /nfs/dbraw/zinc/33/03/68/556330368.db2.gz FCSJJEJGTDIWSH-RUZDIDTESA-N 1 0 437.414 7.627 50 0 IKAARO CCC[C@H]([NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 ZINC000010315455 556330437 /nfs/dbraw/zinc/33/04/37/556330437.db2.gz FCSJJEJGTDIWSH-VWLOTQADSA-N 1 0 437.414 7.627 50 0 IKAARO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4cc(C(C)C)n[nH]4)C3)cc2)c1 ZINC000011664566 556345157 /nfs/dbraw/zinc/34/51/57/556345157.db2.gz ZYGZIPWXWYBMPX-NRFANRHFSA-N 1 0 432.568 5.059 50 0 IKAARO CC(C)[NH+](C[C@@H](C)NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1)C(C)C ZINC000013960298 556347703 /nfs/dbraw/zinc/34/77/03/556347703.db2.gz PNGFJKZNRHWNHL-OAHLLOKOSA-N 1 0 440.481 5.059 50 0 IKAARO COc1cccc(-c2cccc(NC(=O)C3CC[NH+](C4Cc5ccccc5C4)CC3)c2)c1 ZINC000011753462 556348456 /nfs/dbraw/zinc/34/84/56/556348456.db2.gz PXPHVLWJLYODBP-UHFFFAOYSA-N 1 0 426.560 5.180 50 0 IKAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)c(C)c1 ZINC000011753535 556348824 /nfs/dbraw/zinc/34/88/24/556348824.db2.gz FMRJTABDCCPCDD-GOSISDBHSA-N 1 0 434.502 5.653 50 0 IKAARO CN(C(=O)c1ccco1)[C@H](Cc1ccc(F)cc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000011783918 556352212 /nfs/dbraw/zinc/35/22/12/556352212.db2.gz HDKIBDAWPRGYAC-XMMPIXPASA-N 1 0 438.518 5.153 50 0 IKAARO Cc1cccc(CNC(=O)[C@@H]2CC23CC[NH+](Cc2cccc(Oc4ccccc4)c2)CC3)n1 ZINC000011790952 556355686 /nfs/dbraw/zinc/35/56/86/556355686.db2.gz COOSXOAXYUODNI-SANMLTNESA-N 1 0 441.575 5.101 50 0 IKAARO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@@H](CCC(=O)Nc4ccccc4F)C3)c2)n1 ZINC000011817909 556360045 /nfs/dbraw/zinc/36/00/45/556360045.db2.gz RMTLLXIHIDOLOB-NRFANRHFSA-N 1 0 434.559 5.259 50 0 IKAARO O=C(CCCc1ccccc1)Nc1ccnn1C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000011839232 556364245 /nfs/dbraw/zinc/36/42/45/556364245.db2.gz YUPRMNJIXMRKIW-RIYZIHGNSA-N 1 0 428.580 5.195 50 0 IKAARO Cc1ccc(-c2csc3[nH]c(C[NH2+][C@H](C)c4ccc5c(c4)CCCC5)nc(=O)c23)s1 ZINC000014092801 556365770 /nfs/dbraw/zinc/36/57/70/556365770.db2.gz HDPRZXNKZQAVEG-OAHLLOKOSA-N 1 0 435.618 5.751 50 0 IKAARO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000011842600 556365791 /nfs/dbraw/zinc/36/57/91/556365791.db2.gz GHIYZHYCUJHJLO-UHFFFAOYSA-N 1 0 427.573 5.814 50 0 IKAARO O=C(Nc1ccc(Oc2cccnc2)cc1)C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000011844571 556367493 /nfs/dbraw/zinc/36/74/93/556367493.db2.gz JZFWRHSZOGUMKS-UHFFFAOYSA-N 1 0 427.504 5.471 50 0 IKAARO O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CC12CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC000011909291 556374681 /nfs/dbraw/zinc/37/46/81/556374681.db2.gz WBYNGHZRHXTMBN-QFIPXVFZSA-N 1 0 438.562 5.195 50 0 IKAARO O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CC12CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC000011909289 556374703 /nfs/dbraw/zinc/37/47/03/556374703.db2.gz WBYNGHZRHXTMBN-JOCHJYFZSA-N 1 0 438.562 5.195 50 0 IKAARO COc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 ZINC000011935339 556378321 /nfs/dbraw/zinc/37/83/21/556378321.db2.gz FEFHBZCKTPXCNG-UHFFFAOYSA-N 1 0 440.547 5.089 50 0 IKAARO O=C(CCCc1ccccc1)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011937063 556379075 /nfs/dbraw/zinc/37/90/75/556379075.db2.gz XMGZMLYRFJPZQI-AREMUKBSSA-N 1 0 433.640 5.478 50 0 IKAARO O=C(N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1)C1(c2ccccc2)CC1 ZINC000011936874 556379203 /nfs/dbraw/zinc/37/92/03/556379203.db2.gz SRDTXHUMIONURP-DEOSSOPVSA-N 1 0 431.624 5.187 50 0 IKAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3ccccc3OC(F)F)C2)c(C)c1 ZINC000011944312 556379944 /nfs/dbraw/zinc/37/99/44/556379944.db2.gz RRLKYHCKDSUQNS-GOSISDBHSA-N 1 0 432.511 5.236 50 0 IKAARO OC[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000011949048 556380303 /nfs/dbraw/zinc/38/03/03/556380303.db2.gz LRWVCSHHXZZASV-HSZRJFAPSA-N 1 0 430.976 5.420 50 0 IKAARO C[C@@H](CC[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1)c1ccccc1 ZINC000011947402 556380438 /nfs/dbraw/zinc/38/04/38/556380438.db2.gz TXFJKTZILYPGMY-IBGZPJMESA-N 1 0 436.987 5.620 50 0 IKAARO CCOc1cc(C[NH+]2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)ccc1OC ZINC000011946847 556380454 /nfs/dbraw/zinc/38/04/54/556380454.db2.gz IMUYEOVGSXLDAY-UHFFFAOYSA-N 1 0 445.003 5.056 50 0 IKAARO COc1cccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3[nH]c4c(cccc4C)c3C)C2)c1 ZINC000011957073 556381132 /nfs/dbraw/zinc/38/11/32/556381132.db2.gz IUYUCVCFLXPBGA-OAQYLSRUSA-N 1 0 433.596 5.102 50 0 IKAARO COc1ccc([C@H](CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)[NH+](C)C)cc1 ZINC000014183331 556383401 /nfs/dbraw/zinc/38/34/01/556383401.db2.gz KNUQPYSUSIYRQG-DEOSSOPVSA-N 1 0 441.531 5.050 50 0 IKAARO Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)o1 ZINC000011998186 556384800 /nfs/dbraw/zinc/38/48/00/556384800.db2.gz YJPJFEHIVCGXEL-HHHXNRCGSA-N 1 0 442.603 5.529 50 0 IKAARO CCOc1ccc(C[NH+]2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)cc1 ZINC000012005247 556386546 /nfs/dbraw/zinc/38/65/46/556386546.db2.gz OFCDDIMWEULZAR-UHFFFAOYSA-N 1 0 446.595 5.080 50 0 IKAARO CSC(C)(C)C[C@H](C)[NH+]1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 ZINC000012056792 556394584 /nfs/dbraw/zinc/39/45/84/556394584.db2.gz HAHXNSMHKNNBLP-FQEVSTJZSA-N 1 0 442.673 5.402 50 0 IKAARO CC(C)c1csc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000012074837 556397191 /nfs/dbraw/zinc/39/71/91/556397191.db2.gz DUWCOAFKRHFXIQ-JOCHJYFZSA-N 1 0 426.674 5.708 50 0 IKAARO C[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1)c1ccc2c(c1)CCCC2 ZINC000014241898 556402331 /nfs/dbraw/zinc/40/23/31/556402331.db2.gz NWXVOSAYWXICGH-OAHLLOKOSA-N 1 0 433.552 5.520 50 0 IKAARO C[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1)c1ccc2c(c1)CCCC2 ZINC000014241899 556402364 /nfs/dbraw/zinc/40/23/64/556402364.db2.gz NWXVOSAYWXICGH-HNNXBMFYSA-N 1 0 433.552 5.520 50 0 IKAARO CCc1ccc2nc(N(CC[NH+](CC)CC)C(=O)CCOc3ccccc3)sc2c1 ZINC000004359458 556409353 /nfs/dbraw/zinc/40/93/53/556409353.db2.gz PYLKNJBEBVOWMA-UHFFFAOYSA-N 1 0 425.598 5.003 50 0 IKAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1oc2ccccc2c1COc1ccccc1 ZINC000014252507 556409564 /nfs/dbraw/zinc/40/95/64/556409564.db2.gz NGACEMAFJHQODR-OAQYLSRUSA-N 1 0 426.516 5.016 50 0 IKAARO O=C(c1ccc(NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)nc1)N1CCCC1 ZINC000032829461 556416119 /nfs/dbraw/zinc/41/61/19/556416119.db2.gz HJSPQKAYSFZCGY-UHFFFAOYSA-N 1 0 440.591 5.193 50 0 IKAARO O=C(Cc1csc(-c2ccsc2)n1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000032841402 556427111 /nfs/dbraw/zinc/42/71/11/556427111.db2.gz MXWQIQAJGINEMD-IBGZPJMESA-N 1 0 432.014 5.021 50 0 IKAARO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000027992205 556440410 /nfs/dbraw/zinc/44/04/10/556440410.db2.gz FCIBUBCAIKLQEK-HXUWFJFHSA-N 1 0 441.369 5.379 50 0 IKAARO Cc1cc(OCC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)ccc1Cl ZINC000028288695 556448450 /nfs/dbraw/zinc/44/84/50/556448450.db2.gz PQXNMIFFVPMSKA-QHCPKHFHSA-N 1 0 429.004 5.278 50 0 IKAARO Cc1cc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)[NH+](C)C)cc(=O)c2cc1Cl ZINC000028289747 556449152 /nfs/dbraw/zinc/44/91/52/556449152.db2.gz RZTYPKYFQICHFG-FQEVSTJZSA-N 1 0 440.971 5.085 50 0 IKAARO CCSc1ncc(Cl)c(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+](CC)CC)n1 ZINC000028290876 556449838 /nfs/dbraw/zinc/44/98/38/556449838.db2.gz IZGPNVMWYXTPJX-LJQANCHMSA-N 1 0 449.064 5.352 50 0 IKAARO CC(C)c1ccc([C@@H](CNC(=O)COc2ccc(C(C)(C)C)cc2)[NH+]2CCCCC2)cc1 ZINC000028291815 556450317 /nfs/dbraw/zinc/45/03/17/556450317.db2.gz NAJIFLAXIMVGEQ-AREMUKBSSA-N 1 0 436.640 5.830 50 0 IKAARO O=C1CC[C@@H]2C[N@@H+](Cc3cc4ccccc4[nH]3)CC[C@@H]2N1Cc1cccc(C(F)(F)F)c1 ZINC000014878958 556452460 /nfs/dbraw/zinc/45/24/60/556452460.db2.gz COKFIAVYSPZPDF-XXBNENTESA-N 1 0 441.497 5.200 50 0 IKAARO COc1cccc([C@H](CNc2nc(C)nc3sc4c(c32)CCCCC4)[NH+]2CCCC2)c1 ZINC000013069911 556452894 /nfs/dbraw/zinc/45/28/94/556452894.db2.gz XAHDCDUYEXTVRO-NRFANRHFSA-N 1 0 436.625 5.526 50 0 IKAARO CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3ccccc3o2)[NH+]2CCCCC2)cc1 ZINC000028402848 556453435 /nfs/dbraw/zinc/45/34/35/556453435.db2.gz GRMNLNOYPVOFEH-QFIPXVFZSA-N 1 0 432.564 5.048 50 0 IKAARO CC[NH+](CC)[C@@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1Cl ZINC000013096331 556456864 /nfs/dbraw/zinc/45/68/64/556456864.db2.gz VXTGXGWIYYUIMN-QFIPXVFZSA-N 1 0 434.967 5.777 50 0 IKAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000014968240 556466089 /nfs/dbraw/zinc/46/60/89/556466089.db2.gz VFJWOFVGCNXFID-UHFFFAOYSA-N 1 0 446.576 5.196 50 0 IKAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000014972433 556467476 /nfs/dbraw/zinc/46/74/76/556467476.db2.gz JPDAOKXKACRBSZ-RUZDIDTESA-N 1 0 445.607 5.010 50 0 IKAARO CC(C)=CCC[C@H](C)C[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 ZINC000014975115 556468011 /nfs/dbraw/zinc/46/80/11/556468011.db2.gz CVEJESBCASOLGW-IBGZPJMESA-N 1 0 429.008 5.808 50 0 IKAARO Cc1ccc(C(=O)NC[C@@H](C)Oc2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)s1 ZINC000014983902 556471751 /nfs/dbraw/zinc/47/17/51/556471751.db2.gz JFQVPPAAYOIONZ-HXUWFJFHSA-N 1 0 448.632 5.633 50 0 IKAARO O=C(CC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)N1CCCC[C@@H]1c1nccs1 ZINC000014991942 556475578 /nfs/dbraw/zinc/47/55/78/556475578.db2.gz UOIYYTHRBJOCPP-ISKFKSNPSA-N 1 0 447.604 5.223 50 0 IKAARO O=C(c1ccccn1)N([C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000014994020 556476384 /nfs/dbraw/zinc/47/63/84/556476384.db2.gz VAIKAUDDBJSMPQ-SANMLTNESA-N 1 0 445.632 5.271 50 0 IKAARO O=C(c1ccccn1)N([C@H](Cc1ccccc1)C1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000014994022 556476536 /nfs/dbraw/zinc/47/65/36/556476536.db2.gz VAIKAUDDBJSMPQ-AREMUKBSSA-N 1 0 445.632 5.271 50 0 IKAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[NH2+]Cc2ccc(OC)c(OC)c2)cc1 ZINC000014999031 556478948 /nfs/dbraw/zinc/47/89/48/556478948.db2.gz ZMJBRLAUCZHXLZ-UHFFFAOYSA-N 1 0 428.532 5.526 50 0 IKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000013139656 556485695 /nfs/dbraw/zinc/48/56/95/556485695.db2.gz ZLWQGNABQLEYHG-RPLLCQBOSA-N 1 0 448.570 5.296 50 0 IKAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)CCc2c(C)n[nH]c2C)cc1F ZINC000015062253 556490573 /nfs/dbraw/zinc/49/05/73/556490573.db2.gz ZNTPBCJLRQYULH-UHFFFAOYSA-N 1 0 447.558 5.010 50 0 IKAARO OC[C@]1(CCc2ccccc2)CCC[N@H+](Cc2cnc(-c3cccc4ccccc43)nc2)C1 ZINC000015067417 556493473 /nfs/dbraw/zinc/49/34/73/556493473.db2.gz AKPSFAAZCMCHFJ-LJAQVGFWSA-N 1 0 437.587 5.504 50 0 IKAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(CC(C)C)cc2)CC1 ZINC000015071223 556495705 /nfs/dbraw/zinc/49/57/05/556495705.db2.gz DRGOXHNDSUZNOO-UHFFFAOYSA-N 1 0 446.595 5.180 50 0 IKAARO COc1cc2nc(-c3ccccc3)c(C[NH2+]C[C@H](C)c3ccccc3)cc2c(OC)c1OC ZINC000015072560 556496982 /nfs/dbraw/zinc/49/69/82/556496982.db2.gz ZDAQZOBKWXGGIR-IBGZPJMESA-N 1 0 442.559 5.821 50 0 IKAARO C/C(=C\c1ccco1)C[NH+]1CCC(Oc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1 ZINC000015073904 556497977 /nfs/dbraw/zinc/49/79/77/556497977.db2.gz SWVMQQLFSZYWJP-KNTRCKAVSA-N 1 0 442.987 5.506 50 0 IKAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3c[nH]nc3C3CCCCC3)C2)c(C)c1 ZINC000015074145 556498037 /nfs/dbraw/zinc/49/80/37/556498037.db2.gz ABOIHPSOYKEEQF-HXUWFJFHSA-N 1 0 438.616 5.405 50 0 IKAARO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1F ZINC000013566318 556519148 /nfs/dbraw/zinc/51/91/48/556519148.db2.gz NFJQERGBHWCDDQ-UHFFFAOYSA-N 1 0 429.875 5.085 50 0 IKAARO C[N@H+](Cc1ccccc1NC(=O)Cn1c2ccccc2nc1C(F)(F)F)C1CCCCC1 ZINC000032894173 556521556 /nfs/dbraw/zinc/52/15/56/556521556.db2.gz PHKXRMDSKXONEP-UHFFFAOYSA-N 1 0 444.501 5.458 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000013584347 556528687 /nfs/dbraw/zinc/52/86/87/556528687.db2.gz USRCHPQBGWNFGB-MHZLTWQESA-N 1 0 437.587 6.099 50 0 IKAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)Cc2c(C)nc3ccccn32)c1 ZINC000013596695 556531898 /nfs/dbraw/zinc/53/18/98/556531898.db2.gz HXPLNKYGQPETFS-UHFFFAOYSA-N 1 0 437.547 5.136 50 0 IKAARO C[N@H+](Cc1ccccc1NC(=O)Cn1c(=S)[nH]nc1-c1cccs1)C1CCCCC1 ZINC000032902904 556540944 /nfs/dbraw/zinc/54/09/44/556540944.db2.gz VQWXVKLJIOPXOM-UHFFFAOYSA-N 1 0 441.626 5.072 50 0 IKAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1cc(-c2ccc3c(c2)CCCC3)on1 ZINC000032622651 556543025 /nfs/dbraw/zinc/54/30/25/556543025.db2.gz ZJBOBFPCHJSZKB-RUZDIDTESA-N 1 0 429.564 5.177 50 0 IKAARO Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000032904226 556543654 /nfs/dbraw/zinc/54/36/54/556543654.db2.gz BHJNPXYSVFCCFV-UHFFFAOYSA-N 1 0 430.596 5.435 50 0 IKAARO Cc1ccsc1[C@@H]1CCCCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000033087086 556554001 /nfs/dbraw/zinc/55/40/01/556554001.db2.gz IEDRUDOPPACPOA-QFIPXVFZSA-N 1 0 433.646 7.088 50 0 IKAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000015859977 556558525 /nfs/dbraw/zinc/55/85/25/556558525.db2.gz VDSYNPTVZZBBJB-IBGZPJMESA-N 1 0 429.973 5.404 50 0 IKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4)cc2)N3)C1 ZINC000015946361 556567406 /nfs/dbraw/zinc/56/74/06/556567406.db2.gz YOQMTSMSLAIEBI-QHCPKHFHSA-N 1 0 433.577 5.523 50 0 IKAARO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+]([C@H]1CCc3ccccc3C1)CC2 ZINC000022023205 556577941 /nfs/dbraw/zinc/57/79/41/556577941.db2.gz GCHICBJQVBZXBS-HOFKKMOUSA-N 1 0 433.979 5.862 50 0 IKAARO CC[N@H+](C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000016043568 556578339 /nfs/dbraw/zinc/57/83/39/556578339.db2.gz BYDLRSWUPWDWLT-JFEPRVOOSA-N 1 0 447.663 6.043 50 0 IKAARO CCCNC(=O)COc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000034671869 556580307 /nfs/dbraw/zinc/58/03/07/556580307.db2.gz JLFNDYHABHLFRC-MUUNZHRXSA-N 1 0 428.576 5.048 50 0 IKAARO COc1cccc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000034698012 556580897 /nfs/dbraw/zinc/58/08/97/556580897.db2.gz LCZXMNMMXCACPL-OFNKIYASSA-N 1 0 446.513 5.056 50 0 IKAARO COc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1OC ZINC000016227408 556593075 /nfs/dbraw/zinc/59/30/75/556593075.db2.gz XLAJNLVKZOVQQU-UHFFFAOYSA-N 1 0 446.374 5.922 50 0 IKAARO CCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)C1CC1 ZINC000036301780 556596258 /nfs/dbraw/zinc/59/62/58/556596258.db2.gz ASPJGJRMHVKFJA-JOCHJYFZSA-N 1 0 439.987 5.752 50 0 IKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)C(C)C ZINC000036304531 556596504 /nfs/dbraw/zinc/59/65/04/556596504.db2.gz OEHOBRWBZZEJCC-VWLOTQADSA-N 1 0 437.584 5.211 50 0 IKAARO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000032974933 556596706 /nfs/dbraw/zinc/59/67/06/556596706.db2.gz BYRMJGIRFXVSEL-HSZRJFAPSA-N 1 0 444.623 5.161 50 0 IKAARO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000032974943 556596775 /nfs/dbraw/zinc/59/67/75/556596775.db2.gz KHCHRWBGVMVJGC-HSZRJFAPSA-N 1 0 444.623 5.019 50 0 IKAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(C(C)(C)C)cc1)N(CCC[NH+](C)C)C3=O ZINC000016346286 556601419 /nfs/dbraw/zinc/60/14/19/556601419.db2.gz DXWNQOMLMPJXFW-XMMPIXPASA-N 1 0 446.591 5.204 50 0 IKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000016479884 556611346 /nfs/dbraw/zinc/61/13/46/556611346.db2.gz ACXCZLROSMMVGW-UHFFFAOYSA-N 1 0 440.374 5.568 50 0 IKAARO CCOc1cc(C[NH2+][C@H](CC)CO)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016611386 556618202 /nfs/dbraw/zinc/61/82/02/556618202.db2.gz JZERZUJBCMDERO-MRXNPFEDSA-N 1 0 432.775 5.485 50 0 IKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000005043254 556626824 /nfs/dbraw/zinc/62/68/24/556626824.db2.gz HUCNIQNWHZLKDT-KKSFZXQISA-N 1 0 429.992 5.210 50 0 IKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@H](C(=O)NC2CCC(C)CC2)C1 ZINC000005044185 556627050 /nfs/dbraw/zinc/62/70/50/556627050.db2.gz DIILNPYLFHOKIC-BSLVTKGXSA-N 1 0 429.992 5.210 50 0 IKAARO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)NCCC4=CCCCC4)C3)c(C)o2)cc1 ZINC000005056129 556627697 /nfs/dbraw/zinc/62/76/97/556627697.db2.gz IWZXIILEZCMESX-DEOSSOPVSA-N 1 0 435.612 5.431 50 0 IKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3ccccc3F)c3ccc(C)cc3)CC2)c1 ZINC000037560822 556643238 /nfs/dbraw/zinc/64/32/38/556643238.db2.gz JJBIIUORTCVIKG-UHFFFAOYSA-N 1 0 432.539 5.454 50 0 IKAARO Cc1ccsc1C[N@H+]1C[C@@H](CN(C(=O)c2ccccc2)C(C)C)[C@H](c2ccc(C)cc2)C1 ZINC000247966498 556650723 /nfs/dbraw/zinc/65/07/23/556650723.db2.gz BWNFSHOBSPVFIE-UIOOFZCWSA-N 1 0 446.660 6.131 50 0 IKAARO Cc1ccc([C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000248063827 556660291 /nfs/dbraw/zinc/66/02/91/556660291.db2.gz FAVFHMFMHYJSGQ-UIOOFZCWSA-N 1 0 432.633 5.823 50 0 IKAARO Cc1cc(OC(=O)[C@@H](N)CCCC[NH3+])cc2c1[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2 ZINC000043154456 556661185 /nfs/dbraw/zinc/66/11/85/556661185.db2.gz FETXNEPHJSHBDW-HLSUJQSVSA-N 1 0 440.672 5.413 50 0 IKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2c2ccccc2)cc1 ZINC000248093469 556662346 /nfs/dbraw/zinc/66/23/46/556662346.db2.gz HRYOTVQVQADQEG-IAPPQJPRSA-N 1 0 441.619 5.404 50 0 IKAARO Cc1ccccc1[C@H]1C[N@H+](CC2CC2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248093667 556662456 /nfs/dbraw/zinc/66/24/56/556662456.db2.gz NJUUDVSYZBKBAT-LSYYVWMOSA-N 1 0 430.636 5.896 50 0 IKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](Cc3ccoc3)C[C@H]2c2ccccc2)cc1 ZINC000248099197 556664080 /nfs/dbraw/zinc/66/40/80/556664080.db2.gz JCSKEPZSDKRCKX-SXOMAYOGSA-N 1 0 430.592 5.602 50 0 IKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2cccn2C)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248115419 556666029 /nfs/dbraw/zinc/66/60/29/556666029.db2.gz IKQVHZNUXVEFTF-IGKIAQTJSA-N 1 0 447.598 5.178 50 0 IKAARO O=c1[nH]c(C[N@@H+]2CCCC3(CCCCC3)C2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000018284863 556689076 /nfs/dbraw/zinc/68/90/76/556689076.db2.gz KTKCDBRTSAHEMW-UHFFFAOYSA-N 1 0 431.624 5.741 50 0 biogenic IKAARO CSc1cccc(NC(=S)N(CCC[N@@H+]2CCC[C@H](C)C2)Cc2cccs2)c1 ZINC000013573476 556699139 /nfs/dbraw/zinc/69/91/39/556699139.db2.gz CRVUUBTYQNLMAN-SFHVURJKSA-N 1 0 433.712 5.791 50 0 IKAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1sc2cc(F)ccc2c1Cl ZINC000024276203 556699943 /nfs/dbraw/zinc/69/99/43/556699943.db2.gz BLNLQQCLMHKGPY-UHFFFAOYSA-N 1 0 437.367 5.742 50 0 IKAARO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036823 556719596 /nfs/dbraw/zinc/71/95/96/556719596.db2.gz WNHKQAAWIUNWOR-UHFFFAOYSA-N 1 0 441.550 5.601 50 0 IKAARO CC[NH+](CC)CCNC(=O)CS[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000033901595 556723008 /nfs/dbraw/zinc/72/30/08/556723008.db2.gz QBTNOQOPZZOFCJ-NRFANRHFSA-N 1 0 435.058 5.280 50 0 IKAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2nc(C(C)C)cs2)Cc2cccnc2)CC1 ZINC000055100472 556734614 /nfs/dbraw/zinc/73/46/14/556734614.db2.gz YHPXBFMMXFUDJD-UHFFFAOYSA-N 1 0 448.680 5.884 50 0 IKAARO O=C(Nc1ccccc1-c1ccccc1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055107552 556734871 /nfs/dbraw/zinc/73/48/71/556734871.db2.gz LNPVJWNAAMDRBI-RUZDIDTESA-N 1 0 440.591 5.172 50 0 IKAARO COc1ccc(Cl)cc1-c1cc2c(c(OC)c1)OCC[N@H+](Cc1sccc1C)C2 ZINC000055281714 556739756 /nfs/dbraw/zinc/73/97/56/556739756.db2.gz ZMHXPLVPBVKBMB-UHFFFAOYSA-N 1 0 429.969 5.789 50 0 IKAARO COc1ccc([C@H](NC(=O)N(CC2CC2)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C(C)C)cc1 ZINC000604404108 556745521 /nfs/dbraw/zinc/74/55/21/556745521.db2.gz JNOSKHWMPVDLKQ-ICDZXHCJSA-N 1 0 427.633 5.078 50 0 biogenic IKAARO O[C@@H]1CCCc2c3cc(Cl)ccc3n(CC[NH+](Cc3ccccc3)Cc3ccccc3)c21 ZINC000057049731 556746594 /nfs/dbraw/zinc/74/65/94/556746594.db2.gz WJQLGSFNVVNNMH-HHHXNRCGSA-N 1 0 445.006 6.367 50 0 IKAARO COc1cc(C)c(C[NH2+]C[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)cc1C ZINC000005242703 556746827 /nfs/dbraw/zinc/74/68/27/556746827.db2.gz VMJLCNHZCSRTJT-OIFRRMEBSA-N 1 0 433.680 7.236 50 0 IKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4cccc(OC)c4OC)CC3)ccc21 ZINC000019369749 556747503 /nfs/dbraw/zinc/74/75/03/556747503.db2.gz AHLTXGYXZMGAOA-UHFFFAOYSA-N 1 0 443.591 5.149 50 0 IKAARO Cc1ccc2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1C1(CC[NH+](C(C)C)CC1)O2 ZINC000005297285 556762757 /nfs/dbraw/zinc/76/27/57/556762757.db2.gz DYABFFMLJAJVKY-SANMLTNESA-N 1 0 425.576 5.892 50 0 IKAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@@H]32)CC1 ZINC000061992812 556766931 /nfs/dbraw/zinc/76/69/31/556766931.db2.gz YAENZRSZELRANI-LXRCUPKFSA-N 1 0 443.031 5.229 50 0 biogenic IKAARO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+]C[C@@H](c2cccs2)c2c[nH]c3ccccc32)c1C ZINC000058175567 556769379 /nfs/dbraw/zinc/76/93/79/556769379.db2.gz KFLIWZASLSTNTD-OXJNMPFZSA-N 1 0 433.577 5.370 50 0 IKAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000058196989 556770841 /nfs/dbraw/zinc/77/08/41/556770841.db2.gz BHGSPNTVRZXXMN-FQEVSTJZSA-N 1 0 438.999 5.155 50 0 IKAARO Brc1cccc(-c2nnc(C[N@H+](CCc3ccccc3)C3CCCC3)o2)c1 ZINC000058370773 556783674 /nfs/dbraw/zinc/78/36/74/556783674.db2.gz BIOBQBJMCPITIJ-UHFFFAOYSA-N 1 0 426.358 5.486 50 0 IKAARO C[NH+](C)C=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000059593481 556802915 /nfs/dbraw/zinc/80/29/15/556802915.db2.gz CSQFZLPXGVZDMH-UHFFFAOYSA-N 1 0 425.575 7.668 50 0 IKAARO CCC(C)(C)c1ccc(OCCOCC[n+]2cn(C)c3ccccc32)c(C(C)(C)CC)c1 ZINC000003205219 556804349 /nfs/dbraw/zinc/80/43/49/556804349.db2.gz JRALUUGRVMBKOM-UHFFFAOYSA-N 1 0 437.648 5.937 50 0 IKAARO CC[C@@H](C)[N@H+](CCNC(=O)c1sc2ncccc2c1-n1cccc1)Cc1cccs1 ZINC000033059883 556816544 /nfs/dbraw/zinc/81/65/44/556816544.db2.gz GJGRDZCTUSDLIW-QGZVFWFLSA-N 1 0 438.622 5.179 50 0 IKAARO COc1cccc(-c2nc3c(OC)ccc(OC)c3cc2C[NH2+][C@H](C)c2cccs2)c1 ZINC000064002435 556822448 /nfs/dbraw/zinc/82/24/48/556822448.db2.gz QKILCHVJMQUPEX-MRXNPFEDSA-N 1 0 434.561 5.840 50 0 IKAARO COc1cccc(-c2nc3cc(Cl)ccc3cc2C[NH2+][C@@H](C)c2cccs2)c1OC ZINC000064045188 556822552 /nfs/dbraw/zinc/82/25/52/556822552.db2.gz HJIRHJSFSAPRBI-HNNXBMFYSA-N 1 0 438.980 6.485 50 0 IKAARO Cc1cc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)ccc1Br ZINC000019596560 556830731 /nfs/dbraw/zinc/83/07/31/556830731.db2.gz LKYRNLLPXOAWGJ-UHFFFAOYSA-N 1 0 435.365 5.568 50 0 IKAARO COc1cccc(C[C@H](C)[NH+]2CCC(n3nccc3NC(=O)Nc3ccccc3C)CC2)c1 ZINC000019607930 556831190 /nfs/dbraw/zinc/83/11/90/556831190.db2.gz BWYVJHGRJVTHSD-FQEVSTJZSA-N 1 0 447.583 5.112 50 0 IKAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccc3cccnc32)CC1)c1ccccc1Cl ZINC000067654882 556845490 /nfs/dbraw/zinc/84/54/90/556845490.db2.gz ODCVCSGGEKRJDD-UHFFFAOYSA-N 1 0 445.954 5.174 50 0 IKAARO Cn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004678392 556873573 /nfs/dbraw/zinc/87/35/73/556873573.db2.gz ACAFGGNTLZEKFG-UHFFFAOYSA-N 1 0 426.004 6.653 50 0 IKAARO COc1cccc(-c2nc(C[NH+]3CCC(Sc4ccc(F)cc4)CC3)c(C)o2)c1OC ZINC000019792774 556915679 /nfs/dbraw/zinc/91/56/79/556915679.db2.gz AUBRUEDWOOZVDN-UHFFFAOYSA-N 1 0 442.556 5.563 50 0 IKAARO Fc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](c4n[nH]cc4-c4c(F)cccc4F)C3)cn2)cc1 ZINC000019794967 556916051 /nfs/dbraw/zinc/91/60/51/556916051.db2.gz CLJRWMKVSMLGHD-QGZVFWFLSA-N 1 0 437.469 5.059 50 0 IKAARO Nc1c(Cl)cc([C@@H](O)C[NH2+][C@H]2c3ccccc3CSc3ccccc32)cc1Cl ZINC000019801901 556917765 /nfs/dbraw/zinc/91/77/65/556917765.db2.gz JQXZAVXODXQBDJ-UGKGYDQZSA-N 1 0 431.388 5.594 50 0 IKAARO CCCCCOc1ccc([C@](O)(CC(C)C)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000019851230 556930673 /nfs/dbraw/zinc/93/06/73/556930673.db2.gz FVWAVGXBYNLLFE-VSGBNLITSA-N 1 0 439.640 5.605 50 0 IKAARO CCCCCOc1ccc([C@](O)(C(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000019851251 556930850 /nfs/dbraw/zinc/93/08/50/556930850.db2.gz NMTSUZDLHHSAJZ-RRPNLBNLSA-N 1 0 425.613 5.215 50 0 IKAARO CCCCCOc1ccc([C@](O)(C(C)C)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000019851258 556930904 /nfs/dbraw/zinc/93/09/04/556930904.db2.gz NMTSUZDLHHSAJZ-KAYWLYCHSA-N 1 0 425.613 5.215 50 0 IKAARO CCc1ccc(C[NH+]2CCN(Cc3ccc(OC)c(OCc4ccccc4)c3)CC2)cc1 ZINC000019889964 556938819 /nfs/dbraw/zinc/93/88/19/556938819.db2.gz JKVZGENFSOSXGD-UHFFFAOYSA-N 1 0 430.592 5.154 50 0 IKAARO COc1ccc2[nH]c3c(ncnc3N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020024770 556966849 /nfs/dbraw/zinc/96/68/49/556966849.db2.gz BZCKOOLVUIRSAN-UHFFFAOYSA-N 1 0 449.558 5.031 50 0 IKAARO Fc1ccc2[nH]c3c(ncnc3N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020024977 556967061 /nfs/dbraw/zinc/96/70/61/556967061.db2.gz QIUFDZIGGVDUFO-UHFFFAOYSA-N 1 0 437.522 5.162 50 0 IKAARO Brc1ccc(OCc2ccccn2)c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1 ZINC000020111544 556986054 /nfs/dbraw/zinc/98/60/54/556986054.db2.gz JTWMFCPJMLUFQR-JOCHJYFZSA-N 1 0 434.337 5.140 50 0 biogenic IKAARO Cc1ncc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)s1 ZINC000020119818 556987486 /nfs/dbraw/zinc/98/74/86/556987486.db2.gz FNLUUFDHZSIWET-UHFFFAOYSA-N 1 0 425.529 5.234 50 0 IKAARO c1ccc(C(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c2ccccc2)cc1 ZINC000020166121 556993634 /nfs/dbraw/zinc/99/36/34/556993634.db2.gz WCADAWCJNRQLBH-NDEPHWFRSA-N 1 0 425.620 5.105 50 0 IKAARO COc1ccc(C[NH2+]C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)cc1OCc1cccnc1 ZINC000097164455 556994633 /nfs/dbraw/zinc/99/46/33/556994633.db2.gz ODDMKSWBXASUEF-TUUBTQOTSA-N 1 0 446.513 5.660 50 0 IKAARO CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1ccccc1F ZINC000020175723 556995156 /nfs/dbraw/zinc/99/51/56/556995156.db2.gz UADPVNGJDUJVIN-UHFFFAOYSA-N 1 0 443.990 6.371 50 0 IKAARO O=C(c1nc2sccn2c1C[N@@H+]1CCC[C@@H](c2ccccc2)C1)N1CCCCCCC1 ZINC000020210237 556998615 /nfs/dbraw/zinc/99/86/15/556998615.db2.gz GGMBDMXTFTXZHT-OAQYLSRUSA-N 1 0 436.625 5.182 50 0 IKAARO COc1cc(Cl)c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1OC ZINC000020351159 557009244 /nfs/dbraw/zinc/00/92/44/557009244.db2.gz ATTHSMBIXSOKOI-CQSZACIVSA-N 1 0 447.913 5.405 50 0 IKAARO Cc1ccc(-c2csc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000020394077 557013042 /nfs/dbraw/zinc/01/30/42/557013042.db2.gz QANOCFGYWSCCIP-UHFFFAOYSA-N 1 0 425.601 6.030 50 0 IKAARO FC(F)(F)Oc1ccc([C@@H]2c3ccsc3CC[N@H+]2Cc2c[nH]c3ccccc23)cc1 ZINC000020432016 557016183 /nfs/dbraw/zinc/01/61/83/557016183.db2.gz ZQULYNPKHXTJFS-JOCHJYFZSA-N 1 0 428.479 6.276 50 0 IKAARO CCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032522 557025071 /nfs/dbraw/zinc/02/50/71/557025071.db2.gz JSRNFJYVULZSNE-UHFFFAOYSA-N 1 0 438.641 5.734 50 0 IKAARO CCC[N@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032479 557025084 /nfs/dbraw/zinc/02/50/84/557025084.db2.gz FEXMJJYMGKQWJO-UHFFFAOYSA-N 1 0 440.613 5.010 50 0 IKAARO O=C(C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1)N1CCCCCC1 ZINC000046055977 557027613 /nfs/dbraw/zinc/02/76/13/557027613.db2.gz DLKLNMPCLRIGHK-UHFFFAOYSA-N 1 0 447.598 5.443 50 0 IKAARO Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C(C)C)C3)cc1 ZINC000023153842 557028731 /nfs/dbraw/zinc/02/87/31/557028731.db2.gz IRPWKBDMARFQMR-UHFFFAOYSA-N 1 0 447.629 6.352 50 0 IKAARO CCCCc1ccc(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022919277 557046280 /nfs/dbraw/zinc/04/62/80/557046280.db2.gz RDCXCVNMMYIXGU-UHFFFAOYSA-N 1 0 441.619 5.375 50 0 IKAARO Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000022918663 557046315 /nfs/dbraw/zinc/04/63/15/557046315.db2.gz CLQYBJAATWHCJL-QFIPXVFZSA-N 1 0 447.410 5.375 50 0 IKAARO c1ccc(C[NH+]2CCN(Cc3c(C45CC6CC(CC(C6)C4)C5)nc4ccccn43)CC2)cc1 ZINC000022920883 557047327 /nfs/dbraw/zinc/04/73/27/557047327.db2.gz SQMWTRQJTZBNKE-UHFFFAOYSA-N 1 0 440.635 5.120 50 0 IKAARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCCc3ncc(-c4ccccc4)o3)cc2)C1 ZINC000048286726 557052994 /nfs/dbraw/zinc/05/29/94/557052994.db2.gz HEBOOVWOUMFNKF-NRFANRHFSA-N 1 0 431.580 5.213 50 0 IKAARO C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1Br ZINC000017312615 557055994 /nfs/dbraw/zinc/05/59/94/557055994.db2.gz METMWUXNQIVPMG-SFHVURJKSA-N 1 0 447.380 5.607 50 0 IKAARO C[C@H]([NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(NS(C)(=O)=O)cc1 ZINC000048285647 557057894 /nfs/dbraw/zinc/05/78/94/557057894.db2.gz ULOALJPVVTZJMA-AWEZNQCLSA-N 1 0 438.471 5.188 50 0 IKAARO COc1ccccc1Nc1ncc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c2ccccc21 ZINC000004760933 557091904 /nfs/dbraw/zinc/09/19/04/557091904.db2.gz YFWSXVJQOHMMNY-WOJBJXKFSA-N 1 0 446.595 5.085 50 0 IKAARO O=S(=O)(N[C@@H](C[NH2+]C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000023634588 557101886 /nfs/dbraw/zinc/10/18/86/557101886.db2.gz YVIDMNAOVNPKEF-SANMLTNESA-N 1 0 442.584 5.085 50 0 IKAARO c1ccc2c(c1)c1ccccc1n2-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1 ZINC000086016272 557105671 /nfs/dbraw/zinc/10/56/71/557105671.db2.gz DGWSERVYJXYEDY-UHFFFAOYSA-N 1 0 439.583 8.556 50 0 IKAARO CCCc1nc(-c2cc3ccc(C)cc3nc2NCC[N@@H+]2CCc3ccccc3C2)no1 ZINC000033331587 557115291 /nfs/dbraw/zinc/11/52/91/557115291.db2.gz 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ZINC000008596188 562953808 /nfs/dbraw/zinc/95/38/08/562953808.db2.gz ABUSQRGJFWCZDC-UHFFFAOYSA-N 1 0 432.955 5.012 50 0 IKAARO Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)Nc3ccc(C[NH+]4CCCC4)cc3)c(C)c12 ZINC000009408558 562970284 /nfs/dbraw/zinc/97/02/84/562970284.db2.gz ATDWTWDJIDSYNE-UHFFFAOYSA-N 1 0 447.627 5.279 50 0 IKAARO Cc1ccc(-n2ncc(C(=O)Nc3cc(Cl)ccc3Cl)c2C2CC[NH2+]CC2)cc1 ZINC000009835396 562977307 /nfs/dbraw/zinc/97/73/07/562977307.db2.gz XPBMGERXIRXIIP-UHFFFAOYSA-N 1 0 429.351 5.207 50 0 IKAARO CC[NH+](CC)CCN(C(=O)c1ccc2ccccc2c1)c1nc2ccc(OC)cc2s1 ZINC000010066435 562978426 /nfs/dbraw/zinc/97/84/26/562978426.db2.gz MREASXBGPFKZAK-UHFFFAOYSA-N 1 0 433.577 5.447 50 0 IKAARO COc1ccc(NC(=O)[C@H]2CC23CC[NH+](Cc2cccc4ncccc24)CC3)cc1Cl ZINC000011996329 562980205 /nfs/dbraw/zinc/98/02/05/562980205.db2.gz IHAUMPOJGGZAIT-HXUWFJFHSA-N 1 0 435.955 5.138 50 0 IKAARO CN(C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cc2ccccc2o1 ZINC000012026945 562980432 /nfs/dbraw/zinc/98/04/32/562980432.db2.gz LAWLMWXCXTWFNM-LJQANCHMSA-N 1 0 444.497 5.478 50 0 IKAARO CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)c(C)n1 ZINC000012072992 562980729 /nfs/dbraw/zinc/98/07/29/562980729.db2.gz RTFURTSIKJGZHS-JOCHJYFZSA-N 1 0 441.579 5.210 50 0 IKAARO COc1cccc(-n2c(SC)nnc2C2CC[NH+](CC[C@H](C)c3ccc(C)o3)CC2)c1 ZINC000012132469 562980984 /nfs/dbraw/zinc/98/09/84/562980984.db2.gz GJLUWPJHCWLRQY-KRWDZBQOSA-N 1 0 440.613 5.272 50 0 IKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017113399 563021364 /nfs/dbraw/zinc/02/13/64/563021364.db2.gz LDASSBMVRRUNIQ-UHFFFAOYSA-N 1 0 433.602 6.044 50 0 IKAARO CCOc1ccccc1NC(=O)[C@H](NCC1([NH+]2CCCCC2)CCCCC1)c1ccccc1 ZINC000039944127 563099327 /nfs/dbraw/zinc/09/93/27/563099327.db2.gz WHJCOBIQSLFYJH-AREMUKBSSA-N 1 0 449.639 5.544 50 0 IKAARO O[C@@H](C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccccc1 ZINC000104983661 568622930 /nfs/dbraw/zinc/62/29/30/568622930.db2.gz RXGRISKPTXXVQF-NOZRDPDXSA-N 1 0 438.930 5.208 50 0 IKAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000025464487 568660574 /nfs/dbraw/zinc/66/05/74/568660574.db2.gz SVABAGPKYOIOEM-UHFFFAOYSA-N 1 0 441.934 5.009 50 0 IKAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc(F)cc2Br)cc1 ZINC000025521448 568662004 /nfs/dbraw/zinc/66/20/04/568662004.db2.gz SZGPIVPJSSZYLZ-UHFFFAOYSA-N 1 0 441.344 5.247 50 0 IKAARO Cc1cc(C[NH+]2CCC(CNC(=O)C3c4ccccc4Oc4ccccc43)CC2)c(C)o1 ZINC000043972852 568744794 /nfs/dbraw/zinc/74/47/94/568744794.db2.gz UMUVBVRZZCGIMF-UHFFFAOYSA-N 1 0 430.548 5.162 50 0 IKAARO CCOc1ccc(C[NH2+]CC[C@@]2(c3ccc(C)cc3)CCO[C@H](C(C)C)C2)cc1OC ZINC000004073145 568760496 /nfs/dbraw/zinc/76/04/96/568760496.db2.gz CJHMCYLLXMOHLY-RRPNLBNLSA-N 1 0 425.613 5.655 50 0 biogenic IKAARO CCc1cc([C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000001298671 568778751 /nfs/dbraw/zinc/77/87/51/568778751.db2.gz QSXNDEJXZMLTSO-XMMPIXPASA-N 1 0 434.605 6.147 50 0 IKAARO COc1cc([C@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc(OC)c1OC ZINC000001317845 568779476 /nfs/dbraw/zinc/77/94/76/568779476.db2.gz YJPJKPJLMJPSCZ-RUZDIDTESA-N 1 0 444.531 5.008 50 0 biogenic IKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(COc2ccc(F)cc2)c1 ZINC000032109692 568781488 /nfs/dbraw/zinc/78/14/88/568781488.db2.gz CYXJCTZIOLZPCY-VWLOTQADSA-N 1 0 432.495 5.138 50 0 biogenic IKAARO C[C@H](NC(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1)c1ccccc1 ZINC000004670394 568790193 /nfs/dbraw/zinc/79/01/93/568790193.db2.gz WWKISNBPANMMPB-QFIPXVFZSA-N 1 0 428.576 5.355 50 0 IKAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(C(C)(C)C)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000004275281 568802780 /nfs/dbraw/zinc/80/27/80/568802780.db2.gz OHMBDYZGQNFQAL-UHFFFAOYSA-N 1 0 428.598 5.244 50 0 IKAARO Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000015727590 568812733 /nfs/dbraw/zinc/81/27/33/568812733.db2.gz UVUHLPPQSJNDEM-UHFFFAOYSA-N 1 0 447.583 5.006 50 0 IKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cc(-c3ccccc3)c(N3CCCCC3)s2)C1 ZINC000015732233 568815097 /nfs/dbraw/zinc/81/50/97/568815097.db2.gz WEDMEFRCVRYXNG-HXUWFJFHSA-N 1 0 425.642 5.257 50 0 IKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)c1C ZINC000001448862 568817638 /nfs/dbraw/zinc/81/76/38/568817638.db2.gz FGCTXABKSPVAJP-NRFANRHFSA-N 1 0 428.985 6.439 50 0 IKAARO Cc1ccccc1-c1nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cs1 ZINC000001460307 568819894 /nfs/dbraw/zinc/81/98/94/568819894.db2.gz QEFPZXYMKGDWQS-UHFFFAOYSA-N 1 0 439.628 6.026 50 0 IKAARO Cc1ccc(F)c(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@H](c3cccc(F)c3)C2)c1 ZINC000034740461 568824584 /nfs/dbraw/zinc/82/45/84/568824584.db2.gz BFMPFGNAXIQXGE-ZCYQVOJMSA-N 1 0 442.594 5.629 50 0 IKAARO CC1(C)Cc2c3c(ncn4nc(COc5ccc6ccccc6c5)nc34)sc2C(C)(C)[NH2+]1 ZINC000013645005 568828357 /nfs/dbraw/zinc/82/83/57/568828357.db2.gz AGOIGHGKUQGNMS-UHFFFAOYSA-N 1 0 443.576 5.231 50 0 IKAARO Cc1ncc(C[N@@H+](C)C2CCCCC2)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000085878958 568838972 /nfs/dbraw/zinc/83/89/72/568838972.db2.gz YLNBZYPJSQFFHU-UHFFFAOYSA-N 1 0 446.503 5.403 50 0 biogenic IKAARO c1ccc(N2CCN(CCC[NH+]3CCC(Sc4ccc5ccccc5n4)CC3)CC2)cc1 ZINC000038992183 568842941 /nfs/dbraw/zinc/84/29/41/568842941.db2.gz ISEBAGCOGKQJEY-UHFFFAOYSA-N 1 0 446.664 5.004 50 0 IKAARO COc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000015859304 568847205 /nfs/dbraw/zinc/84/72/05/568847205.db2.gz ODBUTUDTIGOWNQ-DEOSSOPVSA-N 1 0 430.504 5.862 50 0 IKAARO CC1CC[NH+]([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)c2cccc(F)c2)CC1 ZINC000015859327 568847245 /nfs/dbraw/zinc/84/72/45/568847245.db2.gz JGPZBCXLXNRZFS-DEOSSOPVSA-N 1 0 432.495 6.239 50 0 IKAARO O=C(Nc1c2ccccc2oc1[C@@H](c1cccc(Cl)c1)[NH+]1CCCCC1)c1ccccc1 ZINC000015859495 568847380 /nfs/dbraw/zinc/84/73/80/568847380.db2.gz FPIXXXDDYMAUOD-RUZDIDTESA-N 1 0 444.962 6.914 50 0 IKAARO O=C(Nc1c2ccccc2oc1[C@@H](c1ccccc1Cl)[NH+]1CCCCC1)c1ccccc1 ZINC000015859501 568847474 /nfs/dbraw/zinc/84/74/74/568847474.db2.gz GLXGYGKOJJCKKS-RUZDIDTESA-N 1 0 444.962 6.914 50 0 IKAARO O=C(Nc1c2ccccc2oc1[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000015859492 568847519 /nfs/dbraw/zinc/84/75/19/568847519.db2.gz NAIWYLGBMHAMDG-DEOSSOPVSA-N 1 0 430.935 6.524 50 0 IKAARO O=C(Nc1c2ccccc2oc1[C@@H](c1cccc(F)c1)[NH+]1CCCCC1)c1ccccc1 ZINC000015859515 568847678 /nfs/dbraw/zinc/84/76/78/568847678.db2.gz VAKHTOLRSHKXMH-RUZDIDTESA-N 1 0 428.507 6.400 50 0 IKAARO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2cccnc2)[NH+]2CCC(C)CC2)cc1 ZINC000015859603 568847814 /nfs/dbraw/zinc/84/78/14/568847814.db2.gz GNIAYLJMXLPGEH-SANMLTNESA-N 1 0 439.559 6.210 50 0 IKAARO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2cccc(F)c2)[NH+]2CCCCC2)cc1 ZINC000015859591 568847884 /nfs/dbraw/zinc/84/78/84/568847884.db2.gz ZBPYMXNIVOFYBG-SANMLTNESA-N 1 0 442.534 6.708 50 0 IKAARO CCOc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)c3ccc(C)c(C)c3[nH]2)cc1 ZINC000015862360 568848636 /nfs/dbraw/zinc/84/86/36/568848636.db2.gz YQQFUUWMJFUCEH-UHFFFAOYSA-N 1 0 426.560 5.746 50 0 IKAARO CCOc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)cc1 ZINC000015862361 568848641 /nfs/dbraw/zinc/84/86/41/568848641.db2.gz BNXFNYYUTUQPHT-UHFFFAOYSA-N 1 0 426.560 5.746 50 0 IKAARO CCc1c(C)sc2c1CC[N@H+](CC(=O)N1CCCc3ccccc31)[C@@H]2c1ccccc1 ZINC000015864853 568850279 /nfs/dbraw/zinc/85/02/79/568850279.db2.gz FTEOHRNJMDCPCH-AREMUKBSSA-N 1 0 430.617 5.546 50 0 IKAARO CCc1c(C)sc2c1CC[N@H+](Cc1cccc(Br)c1)[C@H]2c1ccccc1 ZINC000015864906 568850282 /nfs/dbraw/zinc/85/02/82/568850282.db2.gz HSHRTZSJGUFDJW-QFIPXVFZSA-N 1 0 426.423 6.529 50 0 IKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3ccc(C)cc3)oc1C)[C@@H]2c1ccccc1 ZINC000015864877 568850318 /nfs/dbraw/zinc/85/03/18/568850318.db2.gz FTEXZDQPZDDIIW-AREMUKBSSA-N 1 0 442.628 7.038 50 0 IKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3ccccc3C)oc1C)[C@@H]2c1ccccc1 ZINC000015864861 568850377 /nfs/dbraw/zinc/85/03/77/568850377.db2.gz RSKCCVXMDUHQSA-AREMUKBSSA-N 1 0 442.628 7.038 50 0 IKAARO C[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc21)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000006182382 568869509 /nfs/dbraw/zinc/86/95/09/568869509.db2.gz GXFLAVSLENXMFS-IQGLISFBSA-N 1 0 442.588 5.314 50 0 IKAARO Cc1cc(C)c(-n2nnnc2[C@H]([NH2+]CCc2c[nH]c3ccccc23)[C@@H]2CC=CCC2)c(C)c1 ZINC000575443628 568869619 /nfs/dbraw/zinc/86/96/19/568869619.db2.gz FCBYSFGHHOOPAD-PXDATVDWSA-N 1 0 440.595 5.299 50 0 IKAARO Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](c1csc2ccccc12)[NH+](C)C ZINC000575622499 568883106 /nfs/dbraw/zinc/88/31/06/568883106.db2.gz ZGVRXYVCDSVRIN-IBGZPJMESA-N 1 0 439.968 5.551 50 0 IKAARO COc1ccccc1[C@H](CC[NH2+][C@H](C)c1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 ZINC000001832514 568916105 /nfs/dbraw/zinc/91/61/05/568916105.db2.gz RXWYWURDIQKPTK-CJFMBICVSA-N 1 0 438.011 7.009 50 0 biogenic IKAARO CCc1cc([C@@H](c2ccc(C(C)C)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000001893196 568917877 /nfs/dbraw/zinc/91/78/77/568917877.db2.gz PDGHFPSHTKIHAI-AREMUKBSSA-N 1 0 446.660 7.262 50 0 IKAARO COc1ccccc1[C@@H](CC[NH2+]Cc1ccc(OC(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000002133805 568925010 /nfs/dbraw/zinc/92/50/10/568925010.db2.gz VYGPHQDHZIAWRN-QHCPKHFHSA-N 1 0 433.548 5.523 50 0 biogenic IKAARO c1ccc(C(CC[NH2+]CC2(c3ccc4c(c3)OCCO4)CCOCC2)c2ccccc2)cc1 ZINC000002116009 568925035 /nfs/dbraw/zinc/92/50/35/568925035.db2.gz MDPSIKGOAZAWEC-UHFFFAOYSA-N 1 0 443.587 5.318 50 0 biogenic IKAARO C[NH+](C)CCNC(=O)c1sc2c(cnc3ccc(Cl)cc23)c1-c1ccc(F)cc1 ZINC000064588540 568934742 /nfs/dbraw/zinc/93/47/42/568934742.db2.gz GFOMHLWRMIFRMW-UHFFFAOYSA-N 1 0 427.932 5.200 50 0 IKAARO CC(C)(C)Nc1c(-c2ccccc2)nc2sc(N3CC[NH+](C4CCCCC4)CC3)nn21 ZINC000064746121 568949540 /nfs/dbraw/zinc/94/95/40/568949540.db2.gz DRAYJERJZSYRFN-UHFFFAOYSA-N 1 0 438.645 5.123 50 0 IKAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccc(Cl)cc2)c(C)c1 ZINC000036099020 568952124 /nfs/dbraw/zinc/95/21/24/568952124.db2.gz RRJCIWRXKVJOTI-XMMPIXPASA-N 1 0 427.947 5.538 50 0 IKAARO O[C@H](C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1)c1ccccc1 ZINC000036146240 568962267 /nfs/dbraw/zinc/96/22/67/568962267.db2.gz IFAYMVSPTMFJPH-SQJMNOBHSA-N 1 0 438.930 5.208 50 0 IKAARO Cn1cc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2ccc(C(C)(C)C)cc2)c2ccccc21 ZINC000006723153 568963262 /nfs/dbraw/zinc/96/32/62/568963262.db2.gz ANTRXOXRHNHVLO-DEOSSOPVSA-N 1 0 431.624 5.210 50 0 IKAARO CCOc1ccc([C@](O)(c2cccc(C)c2)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744245 568971419 /nfs/dbraw/zinc/97/14/19/568971419.db2.gz OTVJEEAANZZNLQ-WDYNHAJCSA-N 1 0 429.604 5.899 50 0 IKAARO Cc1ccc(C[N@H+](Cc2ccc(C(O)(c3cccs3)c3cccs3)o2)C2CC2)cc1 ZINC000036202827 568972529 /nfs/dbraw/zinc/97/25/29/568972529.db2.gz OZUXKTCBVWPKKZ-UHFFFAOYSA-N 1 0 435.614 6.160 50 0 IKAARO O=c1cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cc(Cl)ccc2o1 ZINC000019371290 568989499 /nfs/dbraw/zinc/98/94/99/568989499.db2.gz WBAZASIHBCHIIX-UHFFFAOYSA-N 1 0 444.962 5.354 50 0 IKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(C(=O)c3ccccc3)C(C)C)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000169681694 568992641 /nfs/dbraw/zinc/99/26/41/568992641.db2.gz GKXFADCWXQLVNI-URLMMPGGSA-N 1 0 440.631 6.070 50 0 IKAARO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC(C)C ZINC000036301736 568993964 /nfs/dbraw/zinc/99/39/64/568993964.db2.gz RGFSPVYDWPWDEH-JOCHJYFZSA-N 1 0 442.003 5.855 50 0 IKAARO CC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000036306162 568995367 /nfs/dbraw/zinc/99/53/67/568995367.db2.gz KBCMZDMWWUAEON-PZJWPPBQSA-N 1 0 437.584 5.259 50 0 IKAARO CCC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036305885 568995450 /nfs/dbraw/zinc/99/54/50/568995450.db2.gz PXRMKMGNVAJUJW-OAQYLSRUSA-N 1 0 437.584 5.261 50 0 IKAARO CCC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036306243 568995454 /nfs/dbraw/zinc/99/54/54/568995454.db2.gz QKSFCSIAEGGXNL-NRFANRHFSA-N 1 0 437.584 5.261 50 0 IKAARO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000036321643 569000571 /nfs/dbraw/zinc/00/05/71/569000571.db2.gz YVMWNDCPJMVOFO-UXHICEINSA-N 1 0 448.636 5.493 50 0 IKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccc(OC(C)C)cc2)C2CCCCC2)cc1OC ZINC000006814140 569000637 /nfs/dbraw/zinc/00/06/37/569000637.db2.gz PDOJPRSZBTWHHK-RUZDIDTESA-N 1 0 425.613 6.335 50 0 IKAARO CC(C)c1nc2ccc(C(=O)NCC3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2o1 ZINC000064968387 569076086 /nfs/dbraw/zinc/07/60/86/569076086.db2.gz GANMKRRQMDWGQM-UHFFFAOYSA-N 1 0 425.960 5.247 50 0 IKAARO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341966 569079654 /nfs/dbraw/zinc/07/96/54/569079654.db2.gz GBWGOVTZPUKORX-QFIPXVFZSA-N 1 0 437.584 5.211 50 0 IKAARO CCOc1ccc([C@H]2CC(c3ccc(OC)cc3)=NN2C(=O)C[N@H+](C)C2CCCCC2)cc1 ZINC000036344039 569080026 /nfs/dbraw/zinc/08/00/26/569080026.db2.gz FGCGLJYAVFQICN-AREMUKBSSA-N 1 0 449.595 5.036 50 0 IKAARO CCOc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000036344154 569080082 /nfs/dbraw/zinc/08/00/82/569080082.db2.gz UVFNTDKILYFEDT-SANMLTNESA-N 1 0 433.596 5.112 50 0 IKAARO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345967 569080758 /nfs/dbraw/zinc/08/07/58/569080758.db2.gz LPRKPLQJBXWIAT-NRFANRHFSA-N 1 0 425.548 5.341 50 0 IKAARO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346111 569080869 /nfs/dbraw/zinc/08/08/69/569080869.db2.gz ALQOWNIJEQASPP-VWLOTQADSA-N 1 0 449.639 6.291 50 0 IKAARO CCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346292 569081013 /nfs/dbraw/zinc/08/10/13/569081013.db2.gz QRXNRDNESRKLRX-JOCHJYFZSA-N 1 0 425.548 5.484 50 0 IKAARO CCCC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346370 569081086 /nfs/dbraw/zinc/08/10/86/569081086.db2.gz IRCKNPSLJQZOHV-QHCPKHFHSA-N 1 0 439.575 5.875 50 0 IKAARO CCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346218 569081223 /nfs/dbraw/zinc/08/12/23/569081223.db2.gz CQFPJYLGLUTQFX-HSZRJFAPSA-N 1 0 439.575 5.731 50 0 IKAARO CCCC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346793 569081291 /nfs/dbraw/zinc/08/12/91/569081291.db2.gz MTFAWIREHLAKGH-DEOSSOPVSA-N 1 0 449.639 6.197 50 0 IKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](O)CC ZINC000036346657 569081303 /nfs/dbraw/zinc/08/13/03/569081303.db2.gz OLJNWYMDXONNSS-OAQYLSRUSA-N 1 0 429.511 5.234 50 0 IKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](O)CC ZINC000036346658 569081356 /nfs/dbraw/zinc/08/13/56/569081356.db2.gz OLJNWYMDXONNSS-NRFANRHFSA-N 1 0 429.511 5.234 50 0 IKAARO CCCC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036346525 569081397 /nfs/dbraw/zinc/08/13/97/569081397.db2.gz UQHGIWDOHWROTQ-DEOSSOPVSA-N 1 0 449.639 6.297 50 0 IKAARO CCC[N@@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@@H](C)O ZINC000036346495 569081452 /nfs/dbraw/zinc/08/14/52/569081452.db2.gz WQEGMGAKCLAMKY-HXUWFJFHSA-N 1 0 437.584 5.389 50 0 IKAARO CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCCC[N@H+](C)C4CCCCC4)cc3)ccc21 ZINC000065026883 569089997 /nfs/dbraw/zinc/08/99/97/569089997.db2.gz UJSRHRXAMHCSOH-UHFFFAOYSA-N 1 0 447.623 5.037 50 0 IKAARO CCc1ccc(CNC(=O)C2CC[NH+](Cc3cn(CC)c4ccc(Cl)cc34)CC2)cc1 ZINC000065060060 569095777 /nfs/dbraw/zinc/09/57/77/569095777.db2.gz DLPZVVHBSQWVPV-UHFFFAOYSA-N 1 0 438.015 5.405 50 0 IKAARO CCn1c(C)c(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3Cl)CC2)c2ccccc21 ZINC000065060136 569095877 /nfs/dbraw/zinc/09/58/77/569095877.db2.gz VRVOUMXSOYGIAI-UHFFFAOYSA-N 1 0 441.978 5.291 50 0 IKAARO Cc1ccc(-c2nc(-c3ccc(C(=O)NCC[C@H](C)[NH+]4CCCCCC4)s3)no2)cc1 ZINC000065062979 569097782 /nfs/dbraw/zinc/09/77/82/569097782.db2.gz NPRSDDRONYOMLY-SFHVURJKSA-N 1 0 438.597 5.158 50 0 IKAARO CCCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000065322376 569136656 /nfs/dbraw/zinc/13/66/56/569136656.db2.gz UKLPFDQDPCWKKW-UHFFFAOYSA-N 1 0 434.584 5.329 50 0 IKAARO CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC([NH+]5CCCC5)=CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253609444 569138262 /nfs/dbraw/zinc/13/82/62/569138262.db2.gz RGRNUVRIJBGXEL-QQIPDYEYSA-N 1 0 439.772 8.697 50 0 IKAARO C[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2ccccc2)C[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000239338724 569138939 /nfs/dbraw/zinc/13/89/39/569138939.db2.gz LBMQWGLSKLHDSA-XRAHJXPYSA-N 1 0 445.606 7.163 50 0 IKAARO COc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000037279972 569145673 /nfs/dbraw/zinc/14/56/73/569145673.db2.gz YUYYIGOZIRDUMM-UHFFFAOYSA-N 1 0 448.538 5.154 50 0 IKAARO CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000037280300 569145745 /nfs/dbraw/zinc/14/57/45/569145745.db2.gz IHVLXYUBHRBYQV-UHFFFAOYSA-N 1 0 446.566 5.708 50 0 IKAARO COc1ccc(C(=O)N(c2ccc(OC)cc2)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000037279998 569145769 /nfs/dbraw/zinc/14/57/69/569145769.db2.gz IPHWCZYPBISJDF-UHFFFAOYSA-N 1 0 444.575 5.324 50 0 IKAARO COc1ccc(C(=O)N(c2ccc(C)cc2)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000037280028 569145777 /nfs/dbraw/zinc/14/57/77/569145777.db2.gz MMJJUMNBLOBCFG-UHFFFAOYSA-N 1 0 432.539 5.454 50 0 IKAARO COc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3cccc(OC)c3)CC2)cc1 ZINC000037280002 569145841 /nfs/dbraw/zinc/14/58/41/569145841.db2.gz CBTIHJHVLVOWCO-UHFFFAOYSA-N 1 0 430.548 5.015 50 0 IKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3cccc(C)c3)c3ccc(C)c(F)c3)CC2)cc1 ZINC000037280051 569145846 /nfs/dbraw/zinc/14/58/46/569145846.db2.gz WLJMJWXWCZWSHI-UHFFFAOYSA-N 1 0 446.566 5.763 50 0 IKAARO CN1c2ccccc2C(C)(C)/C1=C/C=C(/C=C\C1=[N+](C)c2ccccc2C1(C)C)CCCO ZINC000095913082 569178107 /nfs/dbraw/zinc/17/81/07/569178107.db2.gz NPAAZGYPFMYJRB-UHFFFAOYSA-N 1 0 441.639 6.259 50 0 IKAARO Cc1c(C[NH+](CCc2ccc(F)cc2Cl)CCc2ccc(F)cc2Cl)cnn1C ZINC000252483457 569186632 /nfs/dbraw/zinc/18/66/32/569186632.db2.gz FBWAYUPRRCIWBM-UHFFFAOYSA-N 1 0 438.349 5.601 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000015224429 569189010 /nfs/dbraw/zinc/18/90/10/569189010.db2.gz IWBUKYVEGJWBOC-NRFANRHFSA-N 1 0 440.385 5.195 50 0 IKAARO Cc1ccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000037560050 569200947 /nfs/dbraw/zinc/20/09/47/569200947.db2.gz PHKPWRJPTNNCCH-UHFFFAOYSA-N 1 0 436.958 6.099 50 0 IKAARO COc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3cccc(OC)c3)CC2)cc1 ZINC000037559874 569200962 /nfs/dbraw/zinc/20/09/62/569200962.db2.gz GBWQAFPZTYCIOC-UHFFFAOYSA-N 1 0 430.548 5.015 50 0 IKAARO Cc1ccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000037560047 569200977 /nfs/dbraw/zinc/20/09/77/569200977.db2.gz CTXQIFLWJYOYIX-UHFFFAOYSA-N 1 0 436.958 6.099 50 0 IKAARO COc1ccc(C(=O)N(c2ccc(OC)cc2)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000037560364 569201079 /nfs/dbraw/zinc/20/10/79/569201079.db2.gz DORZWJNIGSRBRC-UHFFFAOYSA-N 1 0 444.575 5.324 50 0 IKAARO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3ccccc3OC)CC2)c1 ZINC000037570658 569201192 /nfs/dbraw/zinc/20/11/92/569201192.db2.gz WQGMQENXYKEBME-UHFFFAOYSA-N 1 0 436.577 5.077 50 0 IKAARO Cc1ccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3C)CC2)cc1 ZINC000037570682 569201214 /nfs/dbraw/zinc/20/12/14/569201214.db2.gz KGPPATVQMJSYOM-UHFFFAOYSA-N 1 0 448.632 5.472 50 0 IKAARO C[C@@H]1CC[C@@]2(C)[C@@H]3C[C@H]4[C@@H](CC[C@@H]5[C@@H]4C[N@@H+]4C[C@H](C)CC[C@@H]4[C@]5(C)O)[C@H]3CC(=O)[C@H]2C1 ZINC000252640380 569208736 /nfs/dbraw/zinc/20/87/36/569208736.db2.gz YSOKTNCRCPDOCA-IPZBKKJUSA-N 1 0 427.673 5.162 50 0 IKAARO C[N@H+]1C(c2ccccc2)=C2C(=C(c3ccccc3)S[C@H]2c2ccccc2)[C@H]1c1ccccc1 ZINC000025557682 569257378 /nfs/dbraw/zinc/25/73/78/569257378.db2.gz AGWKWLAMWBICBO-MVSFAKPFSA-N 1 0 443.615 7.984 50 0 IKAARO O=S1(=O)[C@H](c2ccccc2)[C@H]([NH+]2CCCC2)[C@]12CC1c3ccccc3C2c2ccccc21 ZINC000043214868 569257889 /nfs/dbraw/zinc/25/78/89/569257889.db2.gz HKJGZFOWOOIWTJ-VJAWVROJSA-N 1 0 441.596 5.040 50 0 IKAARO O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)[C@H](c2ccc(Cl)cc2Cl)N1c1ccccc1 ZINC000027531497 569266078 /nfs/dbraw/zinc/26/60/78/569266078.db2.gz DOJDUOQKIHAIJX-DEOSSOPVSA-N 1 0 448.353 5.428 50 0 IKAARO C[N@H+](C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)[C@H]1CCCc2ccccc21 ZINC000239412567 569268867 /nfs/dbraw/zinc/26/88/67/569268867.db2.gz SWALGPRZWCNYDD-LSYYVWMOSA-N 1 0 429.604 5.762 50 0 IKAARO C[C@H]1[C@H](c2ccccc2)[N@@H+](C2CCCCC2)C[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000245309141 569269800 /nfs/dbraw/zinc/26/98/00/569269800.db2.gz BPODYCZWRPAIBO-KVKKZVFNSA-N 1 0 437.627 7.295 50 0 IKAARO CCCCCC[C@@]1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H]1C ZINC000245310381 569269883 /nfs/dbraw/zinc/26/98/83/569269883.db2.gz IOJSASXMHFMQDT-YPHZUOLQSA-N 1 0 434.451 7.353 50 0 IKAARO CC[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(c1nc(-c3ccc(OC)cc3)cs1)[NH2+]2 ZINC000251762733 569271122 /nfs/dbraw/zinc/27/11/22/569271122.db2.gz VJMQHCUMDADTEK-XFHNUULXSA-N 1 0 425.476 5.072 50 0 IKAARO C[C@@H]1CCCN(CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)C1 ZINC000254818926 569273923 /nfs/dbraw/zinc/27/39/23/569273923.db2.gz MZIWRSXHNVMYEY-LKNTUJRUSA-N 1 0 439.650 5.665 50 0 IKAARO CO[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@]5(CN(C)C6(CC[NH+](C)CC6)O5)[C@@]4(C)CC[C@@H]32)C1 ZINC000253500185 569283394 /nfs/dbraw/zinc/28/33/94/569283394.db2.gz YKZPJVAZIXEHHB-FELPTUEHSA-N 1 0 442.688 5.087 50 0 biogenic IKAARO CC(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000299785379 569283641 /nfs/dbraw/zinc/28/36/41/569283641.db2.gz YLSUOAVZPWMSNH-VWNXMTODSA-N 1 0 444.541 5.842 50 0 IKAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[NH2+]C[C@@H]2COc3ccccc3O2)cc1 ZINC000299767509 569283673 /nfs/dbraw/zinc/28/36/73/569283673.db2.gz HOUHAIIRXGZUDN-HSZRJFAPSA-N 1 0 426.516 5.148 50 0 IKAARO C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)C1 ZINC000008888307 569292045 /nfs/dbraw/zinc/29/20/45/569292045.db2.gz GDBDLBPXGKPWAX-FCHUYYIVSA-N 1 0 426.343 6.314 50 0 IKAARO CCCCc1nc2sc3c(nc(SC)nc3NCC[NH+](CC)CC)c2c2c1CCC2 ZINC000002428627 569302732 /nfs/dbraw/zinc/30/27/32/569302732.db2.gz BUEIERFRNGCYKJ-UHFFFAOYSA-N 1 0 443.686 5.546 50 0 IKAARO CC[NH+](CC)[C@H](CNc1ncnc2scc(-c3ccc(OC)cc3)c21)c1ccccc1 ZINC000013095831 569309413 /nfs/dbraw/zinc/30/94/13/569309413.db2.gz IPGNWOWBUMYPLA-JOCHJYFZSA-N 1 0 432.593 5.862 50 0 IKAARO CC[NH+](CC)[C@@H](CNc1ncnc2scc(-c3ccc(OC)cc3)c21)c1ccccc1 ZINC000013095830 569309493 /nfs/dbraw/zinc/30/94/93/569309493.db2.gz IPGNWOWBUMYPLA-QFIPXVFZSA-N 1 0 432.593 5.862 50 0 IKAARO C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]34C)OC[N@@H+]2C1 ZINC000070691806 569315433 /nfs/dbraw/zinc/31/54/33/569315433.db2.gz GRMUAQMHJKQVFL-IIGAACAISA-N 1 0 427.673 5.629 50 0 biogenic IKAARO O=c1c2cc(Cl)ccc2[nH]c(-c2ccccc2)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000019793410 569329401 /nfs/dbraw/zinc/32/94/01/569329401.db2.gz JVNJYEVSGJXYKT-UHFFFAOYSA-N 1 0 429.951 5.171 50 0 IKAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019864043 569330765 /nfs/dbraw/zinc/33/07/65/569330765.db2.gz ZQDQTBRVRBLLEB-MUUNZHRXSA-N 1 0 439.559 5.112 50 0 IKAARO S=C(Nc1ccc(Oc2ccccc2)cc1)N(CCC[NH+]1CCCCC1)Cc1ccco1 ZINC000020107699 569334293 /nfs/dbraw/zinc/33/42/93/569334293.db2.gz VGHJFTSNLWKGBY-UHFFFAOYSA-N 1 0 449.620 6.147 50 0 IKAARO FC(F)(F)c1cccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2cccs2)c1 ZINC000020107885 569334326 /nfs/dbraw/zinc/33/43/26/569334326.db2.gz TXAFPXNNGGNZBF-UHFFFAOYSA-N 1 0 427.561 5.452 50 0 IKAARO COc1ccc(Cl)cc1NC(=S)N(CCC[NH+]1CCCCCC1)Cc1ccco1 ZINC000020107772 569334348 /nfs/dbraw/zinc/33/43/48/569334348.db2.gz DPBVKFKIDCVENB-UHFFFAOYSA-N 1 0 436.021 5.407 50 0 IKAARO COc1ccc(Cl)cc1NC(=S)N(CCC[N@@H+]1CCC[C@H](C)C1)Cc1ccco1 ZINC000020107778 569334424 /nfs/dbraw/zinc/33/44/24/569334424.db2.gz ZDBFJMCTADYOFO-KRWDZBQOSA-N 1 0 436.021 5.263 50 0 IKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC)c(CSc2ccccn2)c1 ZINC000020111968 569334445 /nfs/dbraw/zinc/33/44/45/569334445.db2.gz PIAKGGWHCINPNY-XMMPIXPASA-N 1 0 431.561 5.108 50 0 biogenic IKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(CSc2ccccn2)c1 ZINC000020111970 569334649 /nfs/dbraw/zinc/33/46/49/569334649.db2.gz PIAKGGWHCINPNY-DEOSSOPVSA-N 1 0 431.561 5.108 50 0 biogenic IKAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)c1ccc(C(C)(C)C)cc1 ZINC000094992818 569355777 /nfs/dbraw/zinc/35/57/77/569355777.db2.gz LZPZYCHKMQINBO-DEOSSOPVSA-N 1 0 433.596 5.760 50 0 IKAARO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000020241037 569357960 /nfs/dbraw/zinc/35/79/60/569357960.db2.gz RKGGBSVKGXHFPX-UKILVPOCSA-N 1 0 443.591 5.364 50 0 IKAARO COc1ccccc1Nc1c2cc(NC(=O)/C=C/c3ccco3)ccc2[nH+]c2c1CCCC2 ZINC000020322053 569360179 /nfs/dbraw/zinc/36/01/79/569360179.db2.gz IIXGLNYPBOPIOC-FYWRMAATSA-N 1 0 439.515 6.111 50 0 IKAARO Cc1cc(C)c(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC[NH2+]CC2)c(C)c1 ZINC000020320838 569360185 /nfs/dbraw/zinc/36/01/85/569360185.db2.gz RTJILHFJXNUFGG-UHFFFAOYSA-N 1 0 436.987 5.479 50 0 IKAARO Cc1ccc(/C=C2/Sc3ccc(C(=O)NCC[N@@H+](C)C4CCCCC4)cc3NC2=O)cc1 ZINC000020355343 569361186 /nfs/dbraw/zinc/36/11/86/569361186.db2.gz SUCADDZKDUQQRE-LFVJCYFKSA-N 1 0 449.620 5.075 50 0 IKAARO Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+]4CCCCCC4)cc3NC2=O)c1 ZINC000020355298 569361316 /nfs/dbraw/zinc/36/13/16/569361316.db2.gz ATUKMVCWBSHOPZ-JJIBRWJFSA-N 1 0 449.620 5.076 50 0 IKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)C1 ZINC000020436391 569365464 /nfs/dbraw/zinc/36/54/64/569365464.db2.gz OFLULEUWPLMYHX-HUUCEWRRSA-N 1 0 435.058 5.772 50 0 IKAARO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[N@H+]3CCCC[C@H]3C)cc21 ZINC000020440020 569365743 /nfs/dbraw/zinc/36/57/43/569365743.db2.gz IKXAZHVMIKPYHS-AUSIDOKSSA-N 1 0 434.580 5.064 50 0 IKAARO CC[N@H+](CCC1CCN(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)CC1)CC(C)C ZINC000095459687 569369501 /nfs/dbraw/zinc/36/95/01/569369501.db2.gz AUDBGPQUSOFHER-UHFFFAOYSA-N 1 0 445.648 5.165 50 0 IKAARO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[N@@H+](C)C3CCCCC3)cc(=O)oc2c1C ZINC000095479742 569373804 /nfs/dbraw/zinc/37/38/04/569373804.db2.gz BQMXQHLYQWQUAQ-UHFFFAOYSA-N 1 0 430.548 6.291 50 0 IKAARO COc1cccc([C@@]2(C)CC[N@H+](CCC=C(c3ccc(F)cc3)c3ccc(F)cc3)C2)c1 ZINC000096027705 569380734 /nfs/dbraw/zinc/38/07/34/569380734.db2.gz VLVGEWFINOURNZ-NDEPHWFRSA-N 1 0 433.542 6.459 50 0 IKAARO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[NH2+]CCc3ccccc3)cc(=O)oc2c1C ZINC000096115105 569383134 /nfs/dbraw/zinc/38/31/34/569383134.db2.gz LIMUUHYQJIUZHT-UHFFFAOYSA-N 1 0 438.527 5.859 50 0 biogenic IKAARO Cc1ccc(C)c([C@H](c2ccccc2)[NH+]2CCN(C(=O)CCCc3ccccc3)CC2)c1 ZINC000096183800 569386032 /nfs/dbraw/zinc/38/60/32/569386032.db2.gz QJMCHZJWVNEAAO-LJAQVGFWSA-N 1 0 426.604 5.560 50 0 IKAARO O=C(c1ccco1)N1C[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@H](c2ccc(F)cc2)C1 ZINC000096281431 569389932 /nfs/dbraw/zinc/38/99/32/569389932.db2.gz WYTYEZNPNOAXHC-AHWVRZQESA-N 1 0 446.566 5.229 50 0 IKAARO O=C(C1CCCC1)N1C[C@@H](c2ccc(F)cc2)[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000096281434 569389958 /nfs/dbraw/zinc/38/99/58/569389958.db2.gz OQEYBTZNBUPKQB-IAPPQJPRSA-N 1 0 448.626 5.513 50 0 IKAARO O=C(C1CCCC1)N1C[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@H](c2ccc(F)cc2)C1 ZINC000096281435 569389959 /nfs/dbraw/zinc/38/99/59/569389959.db2.gz OQEYBTZNBUPKQB-XCZPVHLTSA-N 1 0 448.626 5.513 50 0 IKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cc3occc3c(Nc3ccc(Cl)cc3)n2)C1 ZINC000096323650 569395343 /nfs/dbraw/zinc/39/53/43/569395343.db2.gz VDBJCQQITOAMNS-MRXNPFEDSA-N 1 0 426.948 5.077 50 0 IKAARO Cc1ccc(Nc2nc(C(=O)NCCC[NH+]3CCCCC3)cc3occc32)cc1Cl ZINC000096323717 569395375 /nfs/dbraw/zinc/39/53/75/569395375.db2.gz DHRVRFUUDGUQAK-UHFFFAOYSA-N 1 0 426.948 5.139 50 0 IKAARO c1ccc(C(CC[NH2+]CC2(c3cccc4c3OCCO4)CCCC2)c2ccccc2)cc1 ZINC000096593705 569401976 /nfs/dbraw/zinc/40/19/76/569401976.db2.gz NWNCHYNQJDYMCE-UHFFFAOYSA-N 1 0 427.588 6.081 50 0 IKAARO CCc1ccc(Sc2cc(C(=O)NCC[NH+]3[C@@H](C)CCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000002941386 569426706 /nfs/dbraw/zinc/42/67/06/569426706.db2.gz WCVYERRBBYFAOS-PMACEKPBSA-N 1 0 447.648 5.941 50 0 IKAARO CC(C)Oc1ccc(-c2nc3ccccc3c(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000057063777 569429368 /nfs/dbraw/zinc/42/93/68/569429368.db2.gz RCTQUXPOCDUBRW-UHFFFAOYSA-N 1 0 438.575 5.406 50 0 IKAARO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2)c1C ZINC000057270656 569430290 /nfs/dbraw/zinc/43/02/90/569430290.db2.gz LGOMQQJSAOGDOM-XMSQKQJNSA-N 1 0 427.548 5.308 50 0 IKAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000057315440 569430908 /nfs/dbraw/zinc/43/09/08/569430908.db2.gz KBRPTYTZAYLFQF-HNNXBMFYSA-N 1 0 425.891 5.021 50 0 IKAARO CCOc1ccc(-c2cc(C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3n2)cc1 ZINC000003007991 569435191 /nfs/dbraw/zinc/43/51/91/569435191.db2.gz CFPYHOYHEOPONY-UHFFFAOYSA-N 1 0 431.580 5.152 50 0 IKAARO C[N@H+](CCNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21)Cc1ccccc1 ZINC000003040020 569438026 /nfs/dbraw/zinc/43/80/26/569438026.db2.gz ITIHPMQSMGIRAZ-UHFFFAOYSA-N 1 0 445.563 5.387 50 0 IKAARO CCC[NH+](CCC)CCCNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21 ZINC000003040024 569438031 /nfs/dbraw/zinc/43/80/31/569438031.db2.gz UPRRHHCBOUDAFJ-UHFFFAOYSA-N 1 0 439.600 5.767 50 0 IKAARO CC[NH+](CC)C[C@H](C)CNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000003039979 569438037 /nfs/dbraw/zinc/43/80/37/569438037.db2.gz DRNFTHOQALZFAX-QGZVFWFLSA-N 1 0 442.028 5.747 50 0 IKAARO Cc1ccc(-c2cc(C(=O)NCCC[N@@H+](C)C3CCCCC3)c3ccccc3n2)cc1C ZINC000003046058 569438647 /nfs/dbraw/zinc/43/86/47/569438647.db2.gz BTQCEIHXSLQSCV-UHFFFAOYSA-N 1 0 429.608 5.903 50 0 IKAARO CC(=O)Nc1cc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)ccc1Sc1ccc(C)cc1 ZINC000003049181 569438925 /nfs/dbraw/zinc/43/89/25/569438925.db2.gz GEWYBYGUKNSINV-RTBURBONSA-N 1 0 439.625 5.097 50 0 IKAARO C[N@H+](CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1)C1CCCCC1 ZINC000003054347 569439328 /nfs/dbraw/zinc/43/93/28/569439328.db2.gz WXVGVIICPOGGPE-HKOYGPOVSA-N 1 0 449.620 5.156 50 0 IKAARO Cc1ccc([C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000230155880 569439610 /nfs/dbraw/zinc/43/96/10/569439610.db2.gz FAVFHMFMHYJSGQ-IZZNHLLZSA-N 1 0 432.633 5.823 50 0 IKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000057613184 569440254 /nfs/dbraw/zinc/44/02/54/569440254.db2.gz OLLXRRVKVDQNML-JYQLYUNWSA-N 1 0 428.620 5.305 50 0 IKAARO O=C(Nc1ccc[n+](Cc2ccccc2)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000003187165 569441388 /nfs/dbraw/zinc/44/13/88/569441388.db2.gz KHTJMUWHEVZDFG-UHFFFAOYSA-O 1 0 433.453 5.961 50 0 IKAARO O[C@@H](COC(c1ccccc1)c1ccccc1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000003205144 569441687 /nfs/dbraw/zinc/44/16/87/569441687.db2.gz IFSRSCJPSYQGHS-GDLZYMKVSA-N 1 0 437.583 5.856 50 0 IKAARO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)s1 ZINC000003310406 569445479 /nfs/dbraw/zinc/44/54/79/569445479.db2.gz FCEIPTXLHKNWGH-UHFFFAOYSA-N 1 0 425.642 5.274 50 0 IKAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc12 ZINC000003324811 569446173 /nfs/dbraw/zinc/44/61/73/569446173.db2.gz IKMQWHYXUVGEQX-HXUWFJFHSA-N 1 0 438.984 5.082 50 0 IKAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000003363854 569448025 /nfs/dbraw/zinc/44/80/25/569448025.db2.gz PFMAOUPKNYQAJZ-JOCHJYFZSA-N 1 0 442.481 5.922 50 0 IKAARO CCC[NH+](CCC)CCCNC(=O)c1cc(Nc2cc(C)cc(C)c2)nc2ccccc21 ZINC000003585458 569454431 /nfs/dbraw/zinc/45/44/31/569454431.db2.gz HYWMOJYEFBHXMX-UHFFFAOYSA-N 1 0 432.612 5.837 50 0 IKAARO COc1ccc(Cl)cc1NC(=S)N(CC[NH+]1CCCCCC1)Cc1cccs1 ZINC000003665395 569455959 /nfs/dbraw/zinc/45/59/59/569455959.db2.gz ICKMHTJZZNNDJF-UHFFFAOYSA-N 1 0 438.062 5.485 50 0 IKAARO Cc1cc(C)c(NC(=S)N(CCC[NH+]2CCC(C)CC2)Cc2cccs2)c(C)c1 ZINC000003665568 569455984 /nfs/dbraw/zinc/45/59/84/569455984.db2.gz CAYXHFJWDKSCIZ-UHFFFAOYSA-N 1 0 429.699 5.994 50 0 IKAARO Cc1ccc(NC(=S)N(CCC[N@H+]2CCC[C@@H](C)C2)Cc2cccs2)cc1Cl ZINC000003662320 569456017 /nfs/dbraw/zinc/45/60/17/569456017.db2.gz QDUMZEJPZMSQSY-QGZVFWFLSA-N 1 0 436.090 6.031 50 0 IKAARO C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CC[NH+]1CCCCC1 ZINC000004082329 569458706 /nfs/dbraw/zinc/45/87/06/569458706.db2.gz FKAJEUFWOXAABF-FRXWOFFRSA-N 1 0 429.645 5.386 50 0 biogenic IKAARO C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CC[NH+]1CCCCC1 ZINC000004082330 569458718 /nfs/dbraw/zinc/45/87/18/569458718.db2.gz FKAJEUFWOXAABF-NNHWUIPKSA-N 1 0 429.645 5.386 50 0 biogenic IKAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(c2ccccc2OC)CCO1 ZINC000004111099 569459406 /nfs/dbraw/zinc/45/94/06/569459406.db2.gz LZCRRXFBCSZFKT-FTJBHMTQSA-N 1 0 427.585 5.109 50 0 IKAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(c2ccccc2OC)CCO1 ZINC000004111100 569459407 /nfs/dbraw/zinc/45/94/07/569459407.db2.gz LZCRRXFBCSZFKT-UIOOFZCWSA-N 1 0 427.585 5.109 50 0 IKAARO O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000008325488 569462601 /nfs/dbraw/zinc/46/26/01/569462601.db2.gz HPLCFLMYGPGPNB-UHFFFAOYSA-N 1 0 426.560 5.097 50 0 IKAARO COc1cccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)[NH+]2CCCCC2)c1 ZINC000038545976 569463293 /nfs/dbraw/zinc/46/32/93/569463293.db2.gz SIWVUODZJAQPSI-QFIPXVFZSA-N 1 0 440.634 6.263 50 0 IKAARO Cc1cc([C@@H](c2ccc(OC(F)F)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545897 569463344 /nfs/dbraw/zinc/46/33/44/569463344.db2.gz MQHWHBPMUVTIIZ-HXUWFJFHSA-N 1 0 446.519 6.079 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccc2F)[NH+]2CCCCC2)c1C ZINC000038545984 569463391 /nfs/dbraw/zinc/46/33/91/569463391.db2.gz WLPCNOHTPIXXBF-NRFANRHFSA-N 1 0 428.598 6.393 50 0 IKAARO O=C(Nc1sc2c(c1[C@@H](c1cccs1)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038546144 569463428 /nfs/dbraw/zinc/46/34/28/569463428.db2.gz QLEFLUBNRVQGGP-OAQYLSRUSA-N 1 0 426.607 6.109 50 0 IKAARO COc1ccccc1[C@@H](c1c(C)c(C)sc1NC(=O)c1cccs1)[NH+]1CCCCC1 ZINC000038545978 569463440 /nfs/dbraw/zinc/46/34/40/569463440.db2.gz XPWYGSPPBHTHBZ-QFIPXVFZSA-N 1 0 440.634 6.263 50 0 IKAARO CCc1cc([C@H](c2ccc(F)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546286 569463449 /nfs/dbraw/zinc/46/34/49/569463449.db2.gz NIODUYSZJAERJB-QFIPXVFZSA-N 1 0 426.557 6.116 50 0 IKAARO CCOc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)cc1 ZINC000038546254 569463456 /nfs/dbraw/zinc/46/34/56/569463456.db2.gz LFXNIHBLGXRYSH-HSZRJFAPSA-N 1 0 438.593 6.122 50 0 IKAARO CCc1cc([C@@H](c2ccc(F)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546285 569463463 /nfs/dbraw/zinc/46/34/63/569463463.db2.gz NIODUYSZJAERJB-JOCHJYFZSA-N 1 0 426.557 6.116 50 0 IKAARO CSc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)cc1 ZINC000038546255 569463481 /nfs/dbraw/zinc/46/34/81/569463481.db2.gz SUCFCPQWKLLEEQ-JOCHJYFZSA-N 1 0 440.634 6.445 50 0 IKAARO CSc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)cc1 ZINC000038546256 569463491 /nfs/dbraw/zinc/46/34/91/569463491.db2.gz SUCFCPQWKLLEEQ-QFIPXVFZSA-N 1 0 440.634 6.445 50 0 IKAARO CC1CC[NH+]([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2)CC1 ZINC000038546308 569463498 /nfs/dbraw/zinc/46/34/98/569463498.db2.gz COWLTBDLNSRCNK-XMMPIXPASA-N 1 0 434.605 6.294 50 0 IKAARO CCc1cc([C@H](c2ccc(OC)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546280 569463504 /nfs/dbraw/zinc/46/35/04/569463504.db2.gz SGUMMYPGTNHCRP-QHCPKHFHSA-N 1 0 438.593 5.986 50 0 IKAARO CC[NH+]1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccccc2)CC1 ZINC000038546765 569463632 /nfs/dbraw/zinc/46/36/32/569463632.db2.gz ZAFIIJYPZMZJEH-QFIPXVFZSA-N 1 0 439.650 5.406 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccsc2)[NH+]2CCC(C)CC2)c1C ZINC000038546720 569463637 /nfs/dbraw/zinc/46/36/37/569463637.db2.gz HGWSUYIESGZZQA-HXUWFJFHSA-N 1 0 430.664 6.562 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccncc2)[NH+]2CCC(C)CC2)c1C ZINC000038546712 569463665 /nfs/dbraw/zinc/46/36/65/569463665.db2.gz VTJIUXBDWRWECK-NRFANRHFSA-N 1 0 425.623 5.895 50 0 IKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc(C)o3)C[C@H]21 ZINC000008717752 569471092 /nfs/dbraw/zinc/47/10/92/569471092.db2.gz ZITJOLGPJCQEJR-HSZRJFAPSA-N 1 0 443.547 5.132 50 0 IKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3cccs3)C[C@H]21 ZINC000008717753 569471096 /nfs/dbraw/zinc/47/10/96/569471096.db2.gz ARGHYGFGSNWPKJ-JOCHJYFZSA-N 1 0 445.588 5.293 50 0 IKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000008717751 569471121 /nfs/dbraw/zinc/47/11/21/569471121.db2.gz ZITJOLGPJCQEJR-QHCPKHFHSA-N 1 0 443.547 5.132 50 0 IKAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000008776044 569475320 /nfs/dbraw/zinc/47/53/20/569475320.db2.gz HJEDBEXJJJEVQA-UHFFFAOYSA-N 1 0 441.934 5.358 50 0 IKAARO CC(=O)Nc1cc(C(=O)NCCC[NH+]2CCCCCC2)ccc1Sc1ccc(C)cc1 ZINC000008811464 569476590 /nfs/dbraw/zinc/47/65/90/569476590.db2.gz YUDCCYLJEGIOAS-UHFFFAOYSA-N 1 0 439.625 5.101 50 0 IKAARO CCCC(CCC)C(=O)Nc1ccc2c(c1)N(C(=O)C[NH+](CC)CC)c1ccccc1CC2 ZINC000008817281 569476803 /nfs/dbraw/zinc/47/68/03/569476803.db2.gz HLVWVJMDWSKULG-UHFFFAOYSA-N 1 0 449.639 5.947 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000008817706 569476971 /nfs/dbraw/zinc/47/69/71/569476971.db2.gz XKOKCFHMUZBEQI-NRFANRHFSA-N 1 0 430.379 5.739 50 0 IKAARO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)cc1 ZINC000008880982 569482868 /nfs/dbraw/zinc/48/28/68/569482868.db2.gz ONIIWURLKHRGIM-QFIPXVFZSA-N 1 0 444.535 5.826 50 0 IKAARO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000040033492 569483088 /nfs/dbraw/zinc/48/30/88/569483088.db2.gz MODKXLFNXCJTTB-WBVHZDCISA-N 1 0 444.457 5.167 50 0 IKAARO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc(-c3ccc(F)cc3)s1)c1ccccc1O2 ZINC000008900762 569484165 /nfs/dbraw/zinc/48/41/65/569484165.db2.gz BZMLFEOEKVJLET-FQEVSTJZSA-N 1 0 436.552 5.272 50 0 IKAARO CC1(C)C(c2ccccc2)=NN(c2ccc(C[NH2+]Cc3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC000008914042 569485460 /nfs/dbraw/zinc/48/54/60/569485460.db2.gz FBIRIRZWKHNLQS-SSEXGKCCSA-N 1 0 445.610 6.968 50 0 IKAARO C[NH+](C)[C@H](CNC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1ccsc1 ZINC000040071012 569485687 /nfs/dbraw/zinc/48/56/87/569485687.db2.gz WBWQUMDJBIJFSS-PXDATVDWSA-N 1 0 449.645 5.277 50 0 IKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 ZINC000008923113 569486967 /nfs/dbraw/zinc/48/69/67/569486967.db2.gz VTMFBGBZMNRVMB-FQEVSTJZSA-N 1 0 427.957 5.857 50 0 IKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 ZINC000008923116 569487020 /nfs/dbraw/zinc/48/70/20/569487020.db2.gz VTMFBGBZMNRVMB-HXUWFJFHSA-N 1 0 427.957 5.857 50 0 IKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(C)c(Cl)c4)o2)N3)C1 ZINC000008928042 569487352 /nfs/dbraw/zinc/48/73/52/569487352.db2.gz FXMMYXUGKAMLJI-FQEVSTJZSA-N 1 0 427.957 5.777 50 0 IKAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000040119466 569489382 /nfs/dbraw/zinc/48/93/82/569489382.db2.gz ZKNHLAGYHWUCNK-IBGZPJMESA-N 1 0 432.568 5.057 50 0 IKAARO Oc1cc(OCC[NH+]2CCCCC2)ccc1-c1n[nH]cc1-c1ccc(Br)cc1 ZINC000009059641 569499379 /nfs/dbraw/zinc/49/93/79/569499379.db2.gz ZQJDLCDTYZLDEH-UHFFFAOYSA-N 1 0 442.357 5.077 50 0 IKAARO Cc1ccc(Cn2cc(CCC(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c3ccccc32)cc1 ZINC000009116086 569502905 /nfs/dbraw/zinc/50/29/05/569502905.db2.gz HZBNFLUIIYYBDU-ZEQRLZLVSA-N 1 0 445.651 5.415 50 0 IKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccco2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000245343563 569504457 /nfs/dbraw/zinc/50/44/57/569504457.db2.gz RYCIYFBAXZVXOO-BKMJKUGQSA-N 1 0 434.555 5.494 50 0 IKAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)C1 ZINC000009152931 569507914 /nfs/dbraw/zinc/50/79/14/569507914.db2.gz BFTSEZRLVVTIIE-OALUTQOASA-N 1 0 443.035 5.028 50 0 IKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)C1 ZINC000009152932 569507926 /nfs/dbraw/zinc/50/79/26/569507926.db2.gz BFTSEZRLVVTIIE-RTBURBONSA-N 1 0 443.035 5.028 50 0 IKAARO COc1ccc([C@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)[NH+]2CCCC2)cc1 ZINC000009204248 569511313 /nfs/dbraw/zinc/51/13/13/569511313.db2.gz ISVUCMPASVYGFN-NRFANRHFSA-N 1 0 426.944 5.279 50 0 IKAARO Cc1oc(-c2ccc(C(=O)NCC[N@H+]3CCCC[C@H]3C)cc2)nc1COc1ccc(C)cc1 ZINC000009211880 569511893 /nfs/dbraw/zinc/51/18/93/569511893.db2.gz LWEYTEQLGHTZHY-HXUWFJFHSA-N 1 0 447.579 5.142 50 0 IKAARO Cc1ccc(-n2ncc(C(=O)Nc3cccc(Cl)c3C)c2C2CC[NH2+]CC2)cc1Cl ZINC000009227313 569513378 /nfs/dbraw/zinc/51/33/78/569513378.db2.gz RAWNSSVBXIDUIW-UHFFFAOYSA-N 1 0 443.378 5.515 50 0 IKAARO Cc1ccc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC[NH2+]CC2)cc1F ZINC000009227321 569513389 /nfs/dbraw/zinc/51/33/89/569513389.db2.gz MCJCRDQLWREFTD-UHFFFAOYSA-N 1 0 426.923 5.001 50 0 IKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000009272519 569517936 /nfs/dbraw/zinc/51/79/36/569517936.db2.gz MBWACYIAXKKYPA-HHHXNRCGSA-N 1 0 437.587 6.098 50 0 IKAARO Cc1ccc2c(c1)[nH]c(C(=O)NCCC[NH+]1CCCC1)c2Sc1ccc(Cl)cc1 ZINC000009288277 569519372 /nfs/dbraw/zinc/51/93/72/569519372.db2.gz USQONOFAQVIRDH-UHFFFAOYSA-N 1 0 428.001 5.497 50 0 IKAARO O=C(NCCC[NH+]1CCCCCC1)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000009288145 569519399 /nfs/dbraw/zinc/51/93/99/569519399.db2.gz HLVVRFGPAFQVHI-UHFFFAOYSA-N 1 0 442.028 5.968 50 0 IKAARO CC[NH+](CC)CCNC(=O)c1[nH]c2cc(OC)ccc2c1Sc1ccc(Cl)cc1 ZINC000009288574 569519423 /nfs/dbraw/zinc/51/94/23/569519423.db2.gz WHGUCFZXADPAMT-UHFFFAOYSA-N 1 0 431.989 5.053 50 0 IKAARO Cc1ccc2c(c1)[C@H]1CC(c3ccc(F)cc3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000009308417 569521503 /nfs/dbraw/zinc/52/15/03/569521503.db2.gz FTQXVYXQLLKKEA-AREMUKBSSA-N 1 0 441.550 5.670 50 0 IKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000009407756 569530299 /nfs/dbraw/zinc/53/02/99/569530299.db2.gz YXMFSDIJHOBIGB-KRWDZBQOSA-N 1 0 435.058 6.059 50 0 IKAARO CC(C)[N@H+]([C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)C1CCCCC1 ZINC000009408773 569530678 /nfs/dbraw/zinc/53/06/78/569530678.db2.gz VOUJUMVMUCJFNY-QHCPKHFHSA-N 1 0 435.033 5.403 50 0 IKAARO CCC[NH+](CCC)C[C@@H](O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(C)cc1 ZINC000009409340 569530974 /nfs/dbraw/zinc/53/09/74/569530974.db2.gz QQCWOKNYDSKEST-HSZRJFAPSA-N 1 0 436.596 5.312 50 0 IKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009411317 569531508 /nfs/dbraw/zinc/53/15/08/569531508.db2.gz RPTDIMKJZOPARV-NRFANRHFSA-N 1 0 427.495 5.032 50 0 IKAARO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000009450933 569536317 /nfs/dbraw/zinc/53/63/17/569536317.db2.gz LKQUJEYSMGDJAM-UTKZUKDTSA-N 1 0 447.966 5.579 50 0 IKAARO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000009450927 569536339 /nfs/dbraw/zinc/53/63/39/569536339.db2.gz LKQUJEYSMGDJAM-UWJYYQICSA-N 1 0 447.966 5.579 50 0 IKAARO COc1cc(C[NH2+]Cc2cccs2)ccc1OCCOc1cccc(Br)c1 ZINC000009464457 569537654 /nfs/dbraw/zinc/53/76/54/569537654.db2.gz HWXIMYSYGOHYIC-UHFFFAOYSA-N 1 0 448.382 5.267 50 0 IKAARO C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(-n2ccnc2)cc1 ZINC000009465397 569537916 /nfs/dbraw/zinc/53/79/16/569537916.db2.gz TWCSTSLILOXFDH-OAQYLSRUSA-N 1 0 434.547 5.030 50 0 IKAARO C[NH+](C)CCCN(C(=O)CCCSc1ccccc1)c1nc2ccc(Cl)cc2s1 ZINC000009472817 569539051 /nfs/dbraw/zinc/53/90/51/569539051.db2.gz OBAHKUHTZQPZFT-UHFFFAOYSA-N 1 0 448.057 5.807 50 0 IKAARO Fc1ccccc1C1=NN2[C@H](C1)c1ccccc1OC21CC[NH+](Cc2ccccc2)CC1 ZINC000009499571 569541525 /nfs/dbraw/zinc/54/15/25/569541525.db2.gz PFFNAZSUHQSING-RUZDIDTESA-N 1 0 427.523 5.362 50 0 IKAARO Clc1ccc(-c2nc3ccccc3c(NCCC[N@@H+]3CCc4ccccc4C3)n2)cc1 ZINC000009527118 569544673 /nfs/dbraw/zinc/54/46/73/569544673.db2.gz IZIKBACAZJUABX-UHFFFAOYSA-N 1 0 428.967 5.811 50 0 IKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3cc4cc5cc(C)ccc5nc4s3)CC2)c1 ZINC000009528710 569544701 /nfs/dbraw/zinc/54/47/01/569544701.db2.gz OIIJCYUVBUMPDY-UHFFFAOYSA-N 1 0 443.616 5.708 50 0 IKAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000009598070 569551019 /nfs/dbraw/zinc/55/10/19/569551019.db2.gz ZTSKAXBPQPFBIK-UHFFFAOYSA-N 1 0 447.991 5.405 50 0 IKAARO CCC1=Nc2cc(C(=O)NCCC[NH+]3[C@@H](C)CCC[C@@H]3C)ccc2Sc2ccccc21 ZINC000009607904 569552004 /nfs/dbraw/zinc/55/20/04/569552004.db2.gz ZUBQBLXSCZGTHS-OALUTQOASA-N 1 0 435.637 6.065 50 0 IKAARO CCC1=Nc2cc(C(=O)NCCC[NH+]3[C@H](C)CCC[C@H]3C)ccc2Sc2ccccc21 ZINC000009607907 569552026 /nfs/dbraw/zinc/55/20/26/569552026.db2.gz ZUBQBLXSCZGTHS-RTBURBONSA-N 1 0 435.637 6.065 50 0 IKAARO CCC1=Nc2cc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)ccc2Sc2ccccc21 ZINC000009607882 569552037 /nfs/dbraw/zinc/55/20/37/569552037.db2.gz CPATUMQLVHNKRD-RTBURBONSA-N 1 0 435.637 5.780 50 0 IKAARO C[NH+](C)Cc1ccc(CNC(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)cc1 ZINC000009607759 569552052 /nfs/dbraw/zinc/55/20/52/569552052.db2.gz RSODTONHFWVUJB-UHFFFAOYSA-N 1 0 429.539 5.285 50 0 IKAARO CCCC1=Nc2cc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)ccc2Sc2ccccc21 ZINC000009607978 569552076 /nfs/dbraw/zinc/55/20/76/569552076.db2.gz JOLZMWATANAICC-PMACEKPBSA-N 1 0 449.664 6.170 50 0 IKAARO CCC1=Nc2cc(C(=O)NCC[N@H+](C)C3CCCCC3)ccc2Sc2ccc(C)cc21 ZINC000009608325 569552082 /nfs/dbraw/zinc/55/20/82/569552082.db2.gz QAESBDAFBRVSPD-UHFFFAOYSA-N 1 0 435.637 5.985 50 0 IKAARO COC(=O)c1c(NC(=O)Cc2cccc3ccccc32)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000009639729 569555229 /nfs/dbraw/zinc/55/52/29/569555229.db2.gz ZZXMNXLVGCODDX-UHFFFAOYSA-N 1 0 436.577 5.029 50 0 IKAARO Cc1ccc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC[NH2+]CC2)cc1Cl ZINC000009639764 569555234 /nfs/dbraw/zinc/55/52/34/569555234.db2.gz OOPVYKSXXDLATK-UHFFFAOYSA-N 1 0 443.378 5.515 50 0 IKAARO CCOC(=O)c1c(NC(=O)c2ccc3c(c2)CCCC3)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000009639856 569555250 /nfs/dbraw/zinc/55/52/50/569555250.db2.gz LYVDQFXMHJZGIT-UHFFFAOYSA-N 1 0 440.609 5.215 50 0 IKAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000009672094 569558755 /nfs/dbraw/zinc/55/87/55/569558755.db2.gz AXJSBLFALLTPFH-UHFFFAOYSA-N 1 0 434.559 5.402 50 0 IKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Nc2ccccc2OC)nc2ccccc21 ZINC000009680912 569560200 /nfs/dbraw/zinc/56/02/00/569560200.db2.gz ZMFDWHPVWFSEFP-FQEVSTJZSA-N 1 0 446.595 5.371 50 0 IKAARO CCCC[N@H+](C)CCCNC(=O)c1cc(Nc2cccc(SC)c2)nc2ccccc21 ZINC000009680845 569560208 /nfs/dbraw/zinc/56/02/08/569560208.db2.gz PGWWDRDQDKWQDZ-UHFFFAOYSA-N 1 0 436.625 5.552 50 0 IKAARO COc1ccccc1Nc1cc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c2ccccc2n1 ZINC000009680921 569560210 /nfs/dbraw/zinc/56/02/10/569560210.db2.gz ZPMZNLDPMGLKBM-PMACEKPBSA-N 1 0 446.595 5.085 50 0 IKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 ZINC000009722300 569563450 /nfs/dbraw/zinc/56/34/50/569563450.db2.gz VPTDMYDSPHSFRE-SFHVURJKSA-N 1 0 445.032 5.340 50 0 IKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)NCCC2=CCCCC2)CC1 ZINC000009731811 569564678 /nfs/dbraw/zinc/56/46/78/569564678.db2.gz FITKVYKAIGNNMX-UHFFFAOYSA-N 1 0 442.003 5.522 50 0 IKAARO CCCCSCCCNC(=O)C1CC[NH+](Cc2nc(-c3ccccc3C)oc2C)CC1 ZINC000009731747 569564690 /nfs/dbraw/zinc/56/46/90/569564690.db2.gz AMDGFNSEAMSGPJ-UHFFFAOYSA-N 1 0 443.657 5.210 50 0 IKAARO COc1cccc(-c2c[nH+]c(NCc3ccc(OCc4ccccc4)c(OC)c3)n2C)c1 ZINC000009805708 569568757 /nfs/dbraw/zinc/56/87/57/569568757.db2.gz YFWRKCQOWOZFKL-UHFFFAOYSA-N 1 0 429.520 5.295 50 0 IKAARO Cn1c(-c2ccc(-c3ccccc3)cc2)c[nH+]c1NCc1ccc(OCc2ccccc2)cc1 ZINC000009805625 569568776 /nfs/dbraw/zinc/56/87/76/569568776.db2.gz KVSOGNJCLRCXKF-UHFFFAOYSA-N 1 0 445.566 6.945 50 0 IKAARO COc1ccc(CNc2[nH+]cc(-c3ccc(-c4ccccc4)cc3)n2C)c(OC)c1OC ZINC000009805802 569568810 /nfs/dbraw/zinc/56/88/10/569568810.db2.gz KPJPUPJHJWFCSJ-UHFFFAOYSA-N 1 0 429.520 5.392 50 0 IKAARO COc1cccc(-c2c[nH+]c(NCc3ccc(OC)c(OCc4ccccc4)c3)n2C)c1 ZINC000009805805 569568827 /nfs/dbraw/zinc/56/88/27/569568827.db2.gz FUGPZCQNLZMQJX-UHFFFAOYSA-N 1 0 429.520 5.295 50 0 IKAARO COc1ccc(CNc2[nH+]cc(-c3ccc4c(c3)OCO4)n2C)cc1OCc1ccccc1 ZINC000009805827 569568841 /nfs/dbraw/zinc/56/88/41/569568841.db2.gz SHRXQOUCYDEDRT-UHFFFAOYSA-N 1 0 443.503 5.016 50 0 IKAARO CCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000009942138 569574048 /nfs/dbraw/zinc/57/40/48/569574048.db2.gz KXFRMVJYAPHOSO-UHFFFAOYSA-N 1 0 440.975 5.103 50 0 IKAARO Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCCC2)n3C(C)C)c1 ZINC000009942799 569574074 /nfs/dbraw/zinc/57/40/74/569574074.db2.gz NLQROQLQLNVPJD-UHFFFAOYSA-N 1 0 434.584 5.319 50 0 IKAARO CCc1ccccc1Nc1nc(C)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000071326586 569574897 /nfs/dbraw/zinc/57/48/97/569574897.db2.gz UCRQCEZHTZJVEZ-UHFFFAOYSA-N 1 0 434.609 5.152 50 0 IKAARO CCc1ccc2nc(N(CC[NH+](CC)CC)C(=O)c3ccc4ncsc4c3)sc2c1 ZINC000010066636 569577594 /nfs/dbraw/zinc/57/75/94/569577594.db2.gz DOBNQQQGFZMFDI-UHFFFAOYSA-N 1 0 438.622 5.457 50 0 IKAARO CC[NH+](CC)CCN(C(=O)c1ccc2ncsc2c1)c1nc2cc(C)cc(C)c2s1 ZINC000010067197 569577649 /nfs/dbraw/zinc/57/76/49/569577649.db2.gz QFJWRGJLHFLQQZ-UHFFFAOYSA-N 1 0 438.622 5.511 50 0 IKAARO C[NH+](C)CCCN(C(=O)c1cccc2ccccc21)c1nc2c(cc(F)cc2F)s1 ZINC000010068814 569577673 /nfs/dbraw/zinc/57/76/73/569577673.db2.gz ADKZPVKTYUEIBD-UHFFFAOYSA-N 1 0 425.504 5.326 50 0 IKAARO O[C@H](C[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1 ZINC000016477431 569586737 /nfs/dbraw/zinc/58/67/37/569586737.db2.gz IZVUKEJVJRCQDH-OAQYLSRUSA-N 1 0 446.772 5.505 50 0 IKAARO O[C@@H](C[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1 ZINC000016477428 569586786 /nfs/dbraw/zinc/58/67/86/569586786.db2.gz IZVUKEJVJRCQDH-NRFANRHFSA-N 1 0 446.772 5.505 50 0 IKAARO O[C@H](C[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1 ZINC000016477397 569586788 /nfs/dbraw/zinc/58/67/88/569586788.db2.gz TYFUYBMLNZAZIB-OAQYLSRUSA-N 1 0 446.772 5.505 50 0 IKAARO CCN1c2ccccc2S/C1=C\C1=C/C(=C\c2sc3ccccc3[n+]2CC)CCC1 ZINC000138810761 569587303 /nfs/dbraw/zinc/58/73/03/569587303.db2.gz WQBURBCIEMSKKN-UHFFFAOYSA-N 1 0 431.650 7.176 50 0 IKAARO CC(C)[C@H]1C[C@@](CC[NH+]2CCN(c3ccccc3)CC2)(Cc2ccccc2Cl)CCO1 ZINC000009420531 132234338 /nfs/dbraw/zinc/23/43/38/132234338.db2.gz VFJFJHQLZRMSMM-KAYWLYCHSA-N 1 0 441.059 5.916 50 0 IKAARO CC[NH+]1CCN(c2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)CC1 ZINC000003283953 132263120 /nfs/dbraw/zinc/26/31/20/132263120.db2.gz BRSIHTJEZGOTFL-UHFFFAOYSA-N 1 0 445.057 5.268 50 0 IKAARO O[C@H](CN1c2ccccc2Sc2ccccc21)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000004086246 132269529 /nfs/dbraw/zinc/26/95/29/132269529.db2.gz FXLFZOHESFVIIP-QHCPKHFHSA-N 1 0 436.665 6.618 50 0 IKAARO CN1c2ccccc2Oc2nnc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc21 ZINC000008444003 132282129 /nfs/dbraw/zinc/28/21/29/132282129.db2.gz USLKWVMUQQPKEP-UHFFFAOYSA-N 1 0 449.558 5.262 50 0 IKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)CCS2 ZINC000009962323 132332859 /nfs/dbraw/zinc/33/28/59/132332859.db2.gz WTOPQRWHYJOWCJ-HSZRJFAPSA-N 1 0 437.653 5.183 50 0 IKAARO Cc1cc(C[NH2+]C2CCN(c3ccc(NC(=O)CCCCc4ccccc4)cc3)CC2)on1 ZINC000011791362 132339986 /nfs/dbraw/zinc/33/99/86/132339986.db2.gz QJPUXLHYUNFAFY-UHFFFAOYSA-N 1 0 446.595 5.093 50 0 IKAARO CSc1ccc2c(c1)N(C(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccccc1S2 ZINC000013040192 132343280 /nfs/dbraw/zinc/34/32/80/132343280.db2.gz UBSPXZWNXREMMC-HNNXBMFYSA-N 1 0 441.021 6.542 50 0 IKAARO CSc1ccc2c(c1)N(C(=O)C[NH2+][C@H](C)c1cccc(Cl)c1)c1ccccc1S2 ZINC000013040180 132343283 /nfs/dbraw/zinc/34/32/83/132343283.db2.gz BFIXDCPBWOUZGE-OAHLLOKOSA-N 1 0 441.021 6.542 50 0 IKAARO CC(=O)c1cc(CN(C)C[C@@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)cs1 ZINC000012431728 518276507 /nfs/dbraw/zinc/27/65/07/518276507.db2.gz RZVREZBKURXSKY-IBGZPJMESA-N 1 0 438.559 5.356 50 0 IKAARO CC(=O)c1ccc(C(=O)N(CC2CC[NH+](CCc3ccccc3C)CC2)C2CCCC2)cc1 ZINC000012429764 518303728 /nfs/dbraw/zinc/30/37/28/518303728.db2.gz QNZRGYVNTUPOEK-UHFFFAOYSA-N 1 0 446.635 5.537 50 0 IKAARO C(=C/c1ccccc1)\CN1CC[NH+]([C@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000020791365 518372248 /nfs/dbraw/zinc/37/22/48/518372248.db2.gz QKHFYDWHKIPGFA-AYOQVULOSA-N 1 0 444.622 6.774 50 0 IKAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000012094276 518420492 /nfs/dbraw/zinc/42/04/92/518420492.db2.gz RLVBCFXDOAUZOR-GOSISDBHSA-N 1 0 432.486 5.539 50 0 IKAARO C/C(=C\c1ccccc1)C[NH+]1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 ZINC000012314209 518444492 /nfs/dbraw/zinc/44/44/92/518444492.db2.gz PUAPVSICPBDIHN-XTQSDGFTSA-N 1 0 442.607 5.585 50 0 IKAARO CC(C)/C=C/C[NH+]1CCC([C@@H](Cc2ccccc2)N(C(=O)c2ccccn2)C2CC2)CC1 ZINC000012325840 519387077 /nfs/dbraw/zinc/38/70/77/519387077.db2.gz NVPBNPOYZCMOEX-HBIFQHOTSA-N 1 0 431.624 5.222 50 0 IKAARO CC(C)CCOc1ccc([C@](O)(CC(C)C)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020443747 519675274 /nfs/dbraw/zinc/67/52/74/519675274.db2.gz LDZKPOPKPQCWMN-VSGBNLITSA-N 1 0 439.640 5.461 50 0 IKAARO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(Oc4ncccn4)cc3)C2)c1 ZINC000012373486 519782553 /nfs/dbraw/zinc/78/25/53/519782553.db2.gz BHAXNSOHSUVDED-QFIPXVFZSA-N 1 0 431.536 5.151 50 0 IKAARO CC(C)c1nc2sc3c(c2c(N2CC[NH+](CCc4ccccc4)CC2)n1)CCCCC3 ZINC000035893004 519872660 /nfs/dbraw/zinc/87/26/60/519872660.db2.gz IXKPMWMDFMQQCE-UHFFFAOYSA-N 1 0 434.653 5.448 50 0 IKAARO CCCCC[NH+](CCCCC)C[C@H](C)NC(=O)c1ccn(COc2cc(C)cc(C)c2)n1 ZINC000020617997 520162814 /nfs/dbraw/zinc/16/28/14/520162814.db2.gz DCCUGHULFJPTPA-QHCPKHFHSA-N 1 0 442.648 5.337 50 0 IKAARO CCCCCOc1ccc([C@](O)(CCC)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020756651 520258749 /nfs/dbraw/zinc/25/87/49/520258749.db2.gz ROOBRHVMCARMNN-KAYWLYCHSA-N 1 0 425.613 5.359 50 0 IKAARO CCN(CC)C(=O)C1CC[NH+](Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)CC1 ZINC000012202437 520444954 /nfs/dbraw/zinc/44/49/54/520444954.db2.gz QAAQMZQLAIVLEP-UHFFFAOYSA-N 1 0 448.586 5.067 50 0 IKAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+]([C@H](C)Cc2ccc(C)cn2)CC1 ZINC000012308605 520466080 /nfs/dbraw/zinc/46/60/80/520466080.db2.gz ROBSAKDCDWWCDU-LJQANCHMSA-N 1 0 448.529 5.228 50 0 IKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-c2ccc(C3CCCCC3)cc2)s1 ZINC000022649910 520635202 /nfs/dbraw/zinc/63/52/02/520635202.db2.gz JQTNPORBACTDFU-FQEVSTJZSA-N 1 0 426.670 6.703 50 0 IKAARO CCOc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2)cc(Br)c1OC ZINC000022783612 520727181 /nfs/dbraw/zinc/72/71/81/520727181.db2.gz KVANQRXQWWZWBU-LBPRGKRZSA-N 1 0 443.179 5.470 50 0 IKAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000012865885 520848921 /nfs/dbraw/zinc/84/89/21/520848921.db2.gz SLTOBOOESMQMPQ-AFFJLAOCSA-N 1 0 444.015 5.082 50 0 biogenic IKAARO CCCCOc1ccc([C@](O)(CCCC)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020444428 520899327 /nfs/dbraw/zinc/89/93/27/520899327.db2.gz SLNNRYSCNHDFCT-KAYWLYCHSA-N 1 0 425.613 5.359 50 0 IKAARO CCC[C@@](O)(c1ccc(OCCC(C)C)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020756663 520939394 /nfs/dbraw/zinc/93/93/94/520939394.db2.gz AMWZFRHFXGRGAR-RRPNLBNLSA-N 1 0 425.613 5.215 50 0 IKAARO CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCC[N@H+](CCC(C)C)CC2)n1 ZINC000035926131 521070590 /nfs/dbraw/zinc/07/05/90/521070590.db2.gz WKVAOHMUUVXRLU-NRFANRHFSA-N 1 0 434.632 5.277 50 0 IKAARO CCC(=O)N1CCC[C@H](COc2cccc(C[NH+]3CCC(Cc4ccccc4)CC3)c2)C1 ZINC000012126751 521117208 /nfs/dbraw/zinc/11/72/08/521117208.db2.gz KZGAZXQKRLQHEH-SANMLTNESA-N 1 0 434.624 5.169 50 0 IKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2nc(CSc3ccc(C)cc3)c(C)o2)cc1 ZINC000020934746 521637273 /nfs/dbraw/zinc/63/72/73/521637273.db2.gz WCIVJDIJZVFCDT-JOCHJYFZSA-N 1 0 449.620 5.465 50 0 IKAARO CCC[NH+](CCC)CCCNC(=O)CCc1cn(Cc2ccccc2C)c2ccccc12 ZINC000015678419 521644769 /nfs/dbraw/zinc/64/47/69/521644769.db2.gz JVNRNTXQFYHGQI-UHFFFAOYSA-N 1 0 433.640 5.559 50 0 IKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]c2cc(C)ccc2c1Sc1ccc(Cl)cc1 ZINC000020466701 521655515 /nfs/dbraw/zinc/65/55/15/521655515.db2.gz YXEJPUJCFYRZGO-KRWDZBQOSA-N 1 0 428.001 5.495 50 0 IKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2nc(CSc3ccc(C)cc3)c(C)o2)cc1 ZINC000020934753 521657709 /nfs/dbraw/zinc/65/77/09/521657709.db2.gz WCIVJDIJZVFCDT-QFIPXVFZSA-N 1 0 449.620 5.465 50 0 IKAARO CCCn1ncc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1C ZINC000012708208 521671927 /nfs/dbraw/zinc/67/19/27/521671927.db2.gz IZBOKJBNUSMJDY-SFHVURJKSA-N 1 0 436.522 5.251 50 0 IKAARO CCOCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccccc1 ZINC000035844922 521704706 /nfs/dbraw/zinc/70/47/06/521704706.db2.gz SRLSDAPSOMERPI-UHFFFAOYSA-N 1 0 448.607 5.088 50 0 IKAARO C[NH+](C)CCNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1 ZINC000035768781 521777623 /nfs/dbraw/zinc/77/76/23/521777623.db2.gz VJJCINMTHCYJQY-RUZDIDTESA-N 1 0 443.566 5.029 50 0 IKAARO CCc1cccc2c([C@@H](CC(=O)NCC[NH+](C)C)c3ccc(Cl)c(Cl)c3)c[nH]c21 ZINC000035908247 521792818 /nfs/dbraw/zinc/79/28/18/521792818.db2.gz VXCQAOJVRXXQSJ-SFHVURJKSA-N 1 0 432.395 5.237 50 0 IKAARO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CCc3ccc(O)cc3)c(C)o2)cc1 ZINC000012385555 521928717 /nfs/dbraw/zinc/92/87/17/521928717.db2.gz ALHJHBWKSPDDRG-QFIPXVFZSA-N 1 0 434.536 5.130 50 0 IKAARO COc1cc(C[NH+]2CCC(n3c(C4CCCCC4)nc4cccnc43)CC2)cc2c1OCO2 ZINC000012726545 522368654 /nfs/dbraw/zinc/36/86/54/522368654.db2.gz BCPYVDMBGNEWDV-UHFFFAOYSA-N 1 0 448.567 5.053 50 0 IKAARO CC[C@@H](C)c1nc2sc3c(c2c(N2CCC([NH+]4CCCCC4)CC2)n1)CCCCC3 ZINC000035892993 522442063 /nfs/dbraw/zinc/44/20/63/522442063.db2.gz VHGGHHLNKMXECJ-GOSISDBHSA-N 1 0 426.674 5.928 50 0 IKAARO COc1cc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)ccc1OCc1ccccc1 ZINC000012690124 522463702 /nfs/dbraw/zinc/46/37/02/522463702.db2.gz NWKSXPCAROETIG-UHFFFAOYSA-N 1 0 439.939 5.379 50 0 IKAARO CC[C@H](NC(=O)Nc1cc(C)cc(C)c1)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532216 522478952 /nfs/dbraw/zinc/47/89/52/522478952.db2.gz SODQEQCBYPCMJR-NRFANRHFSA-N 1 0 436.625 5.806 50 0 IKAARO CC[C@H](NC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)c1ccc(F)cc1 ZINC000012192445 522536922 /nfs/dbraw/zinc/53/69/22/522536922.db2.gz JKOKYTQBCQQJSU-SANMLTNESA-N 1 0 447.554 5.145 50 0 IKAARO COc1cc(NC(=O)CC[C@H]2CCC[N@H+](Cc3ccc(SC)cc3)C2)cc(OC)c1 ZINC000012199631 522656078 /nfs/dbraw/zinc/65/60/78/522656078.db2.gz UYHSFJAANUQPPY-GOSISDBHSA-N 1 0 428.598 5.057 50 0 IKAARO COCc1ccc(C(=O)N(CC2CC[NH+](CCc3ccccc3C)CC2)C2CCCC2)o1 ZINC000012711598 522945933 /nfs/dbraw/zinc/94/59/33/522945933.db2.gz OTSQBTNHFHFIEG-UHFFFAOYSA-N 1 0 438.612 5.074 50 0 IKAARO C[N@H+](CCc1ccccc1)Cc1ccc(OC[C@H]2CCCN(C(=O)C3CCCCC3)C2)cc1 ZINC000012217654 522954019 /nfs/dbraw/zinc/95/40/19/522954019.db2.gz KOQRWRCUXSEODE-SANMLTNESA-N 1 0 448.651 5.559 50 0 IKAARO COCc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)o1 ZINC000012441107 522973979 /nfs/dbraw/zinc/97/39/79/522973979.db2.gz FPPXPTAGJUQXJI-NRFANRHFSA-N 1 0 443.547 5.425 50 0 IKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000020737421 523019489 /nfs/dbraw/zinc/01/94/89/523019489.db2.gz NFYSETAMGZWITF-HLJDWQABSA-N 1 0 449.620 5.156 50 0 IKAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000012570413 523139544 /nfs/dbraw/zinc/13/95/44/523139544.db2.gz SIXFFCZHJUWMHA-JOCHJYFZSA-N 1 0 430.548 5.222 50 0 IKAARO COCCC[N@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccc(C)cc1 ZINC000035841219 523264011 /nfs/dbraw/zinc/26/40/11/523264011.db2.gz VIFLKYJAQXZRKC-UHFFFAOYSA-N 1 0 430.514 5.902 50 0 IKAARO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(OC3CC[NH2+]CC3)cc2)CC1 ZINC000242273774 523932807 /nfs/dbraw/zinc/93/28/07/523932807.db2.gz YFTXFMDCOQWCFO-LBZQVFOQSA-N 1 0 426.988 5.269 50 0 IKAARO COc1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1 ZINC000012866316 524016261 /nfs/dbraw/zinc/01/62/61/524016261.db2.gz YEEQIDRCKNGTNY-BLPSWELGSA-N 1 0 449.591 5.605 50 0 biogenic IKAARO COc1ccc(C[NH+]2CCC(c3n[nH]cc3-c3ccc4ccccc4c3)CC2)cc1OC ZINC000012246212 524023907 /nfs/dbraw/zinc/02/39/07/524023907.db2.gz YAUBUSQLZRZXFC-UHFFFAOYSA-N 1 0 427.548 5.627 50 0 IKAARO C[NH+](C)CCCN(C(=O)c1cccc(Oc2ccccc2)c1)c1nc2ccc(F)cc2s1 ZINC000012140928 524053402 /nfs/dbraw/zinc/05/34/02/524053402.db2.gz XTTMEVCHPVUJCX-UHFFFAOYSA-N 1 0 449.551 5.826 50 0 IKAARO CCc1cccc(CC)c1NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022785605 524067700 /nfs/dbraw/zinc/06/77/00/524067700.db2.gz GTUMDGAHUBTQNW-UHFFFAOYSA-N 1 0 441.619 5.157 50 0 IKAARO COc1ccc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)c(OC)c1OC ZINC000012481536 524084514 /nfs/dbraw/zinc/08/45/14/524084514.db2.gz JPBGNWOBPRLANS-HXUWFJFHSA-N 1 0 435.568 5.010 50 0 IKAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)Nc3cccc(Br)c3)CC2)c1 ZINC000021174962 524102001 /nfs/dbraw/zinc/10/20/01/524102001.db2.gz IIHWVIVQDLTEOI-UHFFFAOYSA-N 1 0 430.390 5.100 50 0 IKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916058 524103022 /nfs/dbraw/zinc/10/30/22/524103022.db2.gz LSAHWPPRDMPPKW-OAQYLSRUSA-N 1 0 448.611 5.056 50 0 IKAARO COc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3cccs3)CC2)cc1OC ZINC000034682866 524338813 /nfs/dbraw/zinc/33/88/13/524338813.db2.gz DHHBLFHIXMQGQC-UHFFFAOYSA-N 1 0 436.577 5.077 50 0 IKAARO Cc1cccc(CC(=O)N(Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000012434545 524338861 /nfs/dbraw/zinc/33/88/61/524338861.db2.gz KWXUPGNGMLJUBX-UHFFFAOYSA-N 1 0 441.619 5.182 50 0 IKAARO Cc1ccc(CN(C(=O)Nc2ccc(C)c(F)c2)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000020532300 524356350 /nfs/dbraw/zinc/35/63/50/524356350.db2.gz HDTLBEGAYCXFHZ-UHFFFAOYSA-N 1 0 435.543 5.734 50 0 IKAARO Cc1cccc(CN(C(=O)Nc2ccccc2C)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000035686861 524365828 /nfs/dbraw/zinc/36/58/28/524365828.db2.gz NLCRBHQQLCXDKH-UHFFFAOYSA-N 1 0 428.580 5.397 50 0 IKAARO Cc1cccc(C[NH+]2CCC(CNc3ncnc4onc(-c5ccc(F)cc5)c43)CC2)c1 ZINC000020574466 524386633 /nfs/dbraw/zinc/38/66/33/524386633.db2.gz XWPQTZABXXLJQW-UHFFFAOYSA-N 1 0 431.515 5.056 50 0 IKAARO Cc1cccc(C[NH+]2CCC(c3nc(C)ccc3C(=O)NCCCc3ccccc3)CC2)c1 ZINC000034725780 524389125 /nfs/dbraw/zinc/38/91/25/524389125.db2.gz ZHFBXLGZKJDVDG-UHFFFAOYSA-N 1 0 441.619 5.441 50 0 IKAARO C[C@H]1CC[C@]2(C)[C@@H]3C[C@@H]4[C@H](CC[C@@H]5[C@@H]4C[N@@H+]4C[C@@H](C)CC[C@H]4[C@@]5(C)O)[C@@H]3CC(=O)[C@H]2C1 ZINC000247694632 524428197 /nfs/dbraw/zinc/42/81/97/524428197.db2.gz YSOKTNCRCPDOCA-PGWMLQGTSA-N 1 0 427.673 5.162 50 0 IKAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2cnc3ccccc3c2)CC1 ZINC000012458873 524449593 /nfs/dbraw/zinc/44/95/93/524449593.db2.gz OXVCOFXUJHXCDF-UHFFFAOYSA-N 1 0 445.607 5.254 50 0 IKAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc4cc5cc(C)ccc5nc4s3)C2)cc1 ZINC000021087488 524469324 /nfs/dbraw/zinc/46/93/24/524469324.db2.gz RTZOFWDMIIJJHO-HXUWFJFHSA-N 1 0 429.589 5.318 50 0 IKAARO C[C@H](CNC(=O)c1cccs1)Oc1ccc(C[N@H+](C)Cc2ccc3ncccc3c2)cc1 ZINC000012242885 524472602 /nfs/dbraw/zinc/47/26/02/524472602.db2.gz UDGYDILTLPOXTJ-LJQANCHMSA-N 1 0 445.588 5.126 50 0 IKAARO COc1ccc(NC(=O)CCC2CC[NH+](Cc3ccc(SC)cc3)CC2)c(OC)c1 ZINC000012589592 524475216 /nfs/dbraw/zinc/47/52/16/524475216.db2.gz YSQPLHZIIWKXTL-UHFFFAOYSA-N 1 0 428.598 5.057 50 0 IKAARO Cc1cccc(NC(=O)CCC2CC[NH+](C3CCN(CCc4ccccc4)CC3)CC2)c1 ZINC000012710046 524584443 /nfs/dbraw/zinc/58/44/43/524584443.db2.gz RAEAJRHNVOFAKX-UHFFFAOYSA-N 1 0 433.640 5.133 50 0 IKAARO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](CC[C@@H](C)c2ccccc2)CC1 ZINC000020537429 524616517 /nfs/dbraw/zinc/61/65/17/524616517.db2.gz GWJCPJWOGOXZNL-HXUWFJFHSA-N 1 0 447.583 5.366 50 0 IKAARO COc1ccccc1NC(=O)[C@@H]1CC12CC[NH+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000012124947 524620074 /nfs/dbraw/zinc/62/00/74/524620074.db2.gz WDLWSGGDXWFATL-FQEVSTJZSA-N 1 0 433.577 5.060 50 0 IKAARO COc1ccccc1NC(=O)[C@H]1CC12CC[NH+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000012124958 524623745 /nfs/dbraw/zinc/62/37/45/524623745.db2.gz WDLWSGGDXWFATL-HXUWFJFHSA-N 1 0 433.577 5.060 50 0 IKAARO COc1ccc(NC(=O)c2ccc(C[NH2+][C@@H](Cc3ccccc3)c3ccccc3)cc2)cc1 ZINC000012928393 524633999 /nfs/dbraw/zinc/63/39/99/524633999.db2.gz IVGPWCARMREURN-NDEPHWFRSA-N 1 0 436.555 6.021 50 0 IKAARO C[C@@H](CNC(=O)c1cccs1)Oc1ccc(C[N@H+](C)Cc2ccc3ncccc3c2)cc1 ZINC000012242884 524725316 /nfs/dbraw/zinc/72/53/16/524725316.db2.gz UDGYDILTLPOXTJ-IBGZPJMESA-N 1 0 445.588 5.126 50 0 IKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCC(C)CC4)CC3)cc3ccccc32)cc1 ZINC000035451492 524766476 /nfs/dbraw/zinc/76/64/76/524766476.db2.gz BYHXZBMYCJJWPX-UHFFFAOYSA-N 1 0 443.635 5.469 50 0 IKAARO COc1ccc(OC)c(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000012308541 524823933 /nfs/dbraw/zinc/82/39/33/524823933.db2.gz YUNZDJBUTVIQIU-QHCPKHFHSA-N 1 0 437.628 5.146 50 0 IKAARO Cc1ccc(N(C(=O)c2ccco2)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000034682900 524877111 /nfs/dbraw/zinc/87/71/11/524877111.db2.gz DXSOOZBJIYPBAZ-UHFFFAOYSA-N 1 0 442.481 5.918 50 0 IKAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCc2cn(Cc3ccccc3F)c3ccccc23)C1 ZINC000021527963 524882372 /nfs/dbraw/zinc/88/23/72/524882372.db2.gz KUFRIVOLKWWOIS-VXKWHMMOSA-N 1 0 449.614 5.246 50 0 IKAARO Cc1ccccc1-c1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCc3cccs3)CC2)c1 ZINC000012133041 525005692 /nfs/dbraw/zinc/00/56/92/525005692.db2.gz QIJHGXYCINTWFM-RUZDIDTESA-N 1 0 430.617 5.642 50 0 IKAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)c2cc(C(C)C)on2)C2CCCC2)CC1 ZINC000012111775 525108995 /nfs/dbraw/zinc/10/89/95/525108995.db2.gz XUBMJIQCSJVSLF-UHFFFAOYSA-N 1 0 437.628 5.446 50 0 IKAARO Cc1ccc(NC(=O)N(Cc2cccc(C)n2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000035686846 525115388 /nfs/dbraw/zinc/11/53/88/525115388.db2.gz ZUJOFBORBLMQCA-UHFFFAOYSA-N 1 0 428.580 5.397 50 0 IKAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)Cc2ccccc2F)CC1 ZINC000012434786 525136793 /nfs/dbraw/zinc/13/67/93/525136793.db2.gz DCFGKLABANBQDI-UHFFFAOYSA-N 1 0 445.582 5.013 50 0 IKAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)CC2=CCCCC2)CC1 ZINC000012387713 525137652 /nfs/dbraw/zinc/13/76/52/525137652.db2.gz RQYDISGJMNZWJD-UHFFFAOYSA-N 1 0 431.624 5.521 50 0 IKAARO Cc1cc(NC(=O)N2CCC(C[N@@H+]3CCc4ccccc4C3)CC2)ccc1Br ZINC000020532097 525173228 /nfs/dbraw/zinc/17/32/28/525173228.db2.gz YUUVJXJDJKQFGW-UHFFFAOYSA-N 1 0 442.401 5.060 50 0 IKAARO Cc1cc(NC(=O)N2CCC[C@H](C[N@@H+]3CCc4ccccc4C3)C2)ccc1Br ZINC000020532117 525177418 /nfs/dbraw/zinc/17/74/18/525177418.db2.gz DBXGERCNGFUEJA-GOSISDBHSA-N 1 0 442.401 5.060 50 0 IKAARO COc1ccc([C@@H](c2ccccc2)N2CC[NH+](CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022454895 525212081 /nfs/dbraw/zinc/21/20/81/525212081.db2.gz GLTTWGVHQURKCX-GDLZYMKVSA-N 1 0 439.603 5.516 50 0 IKAARO Cc1ccccc1Cn1cccc1C[N@H+](C[C@@H](O)COCc1ccccc1)C1CCCCC1 ZINC000035840754 525212111 /nfs/dbraw/zinc/21/21/11/525212111.db2.gz LFJAHKJWQZYNGO-GDLZYMKVSA-N 1 0 446.635 5.557 50 0 IKAARO C[C@@H](NC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)c1ccc(Cl)cc1 ZINC000012434715 525331182 /nfs/dbraw/zinc/33/11/82/525331182.db2.gz ZMIAPXIWENGSGM-LJQANCHMSA-N 1 0 449.982 5.269 50 0 IKAARO COc1ccc([C@H](c2ccccc2)N2CC[NH+](CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022454900 525380364 /nfs/dbraw/zinc/38/03/64/525380364.db2.gz GLTTWGVHQURKCX-LJAQVGFWSA-N 1 0 439.603 5.516 50 0 IKAARO Cc1cc(O[C@@H](CC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2)cc(C(C)C)c1 ZINC000034727218 525380717 /nfs/dbraw/zinc/38/07/17/525380717.db2.gz QLYGAVWUTDKWGX-LJAQVGFWSA-N 1 0 428.620 6.451 50 0 IKAARO Cc1[nH]c2c(cccc2C(=O)N(Cc2cccc(OC[C@H]3CCC[N@@H+](C)C3)c2)C2CC2)c1C ZINC000014888482 525418378 /nfs/dbraw/zinc/41/83/78/525418378.db2.gz STAGANWJHWGPEU-QFIPXVFZSA-N 1 0 445.607 5.310 50 0 IKAARO Cc1[nH]c2ccc(NC(=O)c3ccc(C)cc3)cc2c1[C@@H](c1ccccn1)[NH+]1CCCCC1 ZINC000021659651 525428858 /nfs/dbraw/zinc/42/88/58/525428858.db2.gz CCAUTHYYVFWCIA-HHHXNRCGSA-N 1 0 438.575 6.007 50 0 IKAARO Cc1[nH]c2ccc(NC(=O)c3cccs3)cc2c1[C@@H](c1ccccn1)[NH+]1CCCCC1 ZINC000021659632 525430111 /nfs/dbraw/zinc/43/01/11/525430111.db2.gz DXVSQQGCGWQSDZ-XMMPIXPASA-N 1 0 430.577 5.760 50 0 IKAARO Cc1[nH]c2ccc(NC(=O)c3ccccc3F)cc2c1[C@H](c1ccccn1)[NH+]1CCCCC1 ZINC000021659638 525431207 /nfs/dbraw/zinc/43/12/07/525431207.db2.gz UYXDIKWCLXNSLV-SANMLTNESA-N 1 0 442.538 5.838 50 0 IKAARO Cc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1[C@H](c1ccccn1)[NH+]1CCCCC1 ZINC000021805761 525431387 /nfs/dbraw/zinc/43/13/87/525431387.db2.gz GHNVHLSRSDHHJU-SANMLTNESA-N 1 0 442.538 5.838 50 0 IKAARO COc1ccc2cc(-c3n[nH]cc3C[NH+]3CCC(O)(c4ccc(Cl)cc4)CC3)ccc2c1 ZINC000012194644 525619162 /nfs/dbraw/zinc/61/91/62/525619162.db2.gz SGQNOEYNEAFLSY-UHFFFAOYSA-N 1 0 447.966 5.376 50 0 IKAARO Cc1c(CC[NH2+]C2CCN(CCc3ccccc3)CC2)c2ccccc2n1-c1ccccc1 ZINC000022077859 525702023 /nfs/dbraw/zinc/70/20/23/525702023.db2.gz ITJKNJOTDGFCEL-UHFFFAOYSA-N 1 0 437.631 5.778 50 0 IKAARO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](C/C(C)=C/c2ccccc2)C3)c1OC ZINC000012453215 525711021 /nfs/dbraw/zinc/71/10/21/525711021.db2.gz NYUZWSYLUYDMRT-HMMYKYKNSA-N 1 0 445.559 5.677 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)c1 ZINC000012571057 525714860 /nfs/dbraw/zinc/71/48/60/525714860.db2.gz ZRIMXPRLXVWPPN-UHFFFAOYSA-N 1 0 448.538 5.361 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](CC[C@@H](C)c3ccccc3)CC2)c1 ZINC000012196736 525716540 /nfs/dbraw/zinc/71/65/40/525716540.db2.gz SHVLDLLOVXLOIS-JOCHJYFZSA-N 1 0 442.603 6.207 50 0 IKAARO Cc1c(C[NH2+]CCC[N@H+](Cc2ccccc2)C(C)C)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000021025469 525724019 /nfs/dbraw/zinc/72/40/19/525724019.db2.gz PTEKBVTXPHUAON-UHFFFAOYSA-N 1 0 447.623 5.491 50 0 IKAARO COc1cccc(C(=O)N2C[C@H](C[NH+]3CCCCC3)[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000034698011 525808986 /nfs/dbraw/zinc/80/89/86/525808986.db2.gz LCZXMNMMXCACPL-REWPJTCUSA-N 1 0 446.513 5.056 50 0 IKAARO Cc1ccc(-c2nnc([C@@H](C)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)o2)cc1 ZINC000022800184 525860391 /nfs/dbraw/zinc/86/03/91/525860391.db2.gz LQCZNTDHMRIVKL-JOCHJYFZSA-N 1 0 438.575 5.513 50 0 IKAARO Cc1ccc(-n2cc(C[NH+]3CCC(CO)(Cc4cccc(C(F)(F)F)c4)CC3)cn2)cc1 ZINC000012437445 525908288 /nfs/dbraw/zinc/90/82/88/525908288.db2.gz COAAYBIQAIPPNU-UHFFFAOYSA-N 1 0 443.513 5.017 50 0 IKAARO Cc1ccc(-n2ncc(C(=O)Nc3ccc(Cl)cc3)c2C2CC[NH2+]CC2)cc1Cl ZINC000020857692 525932349 /nfs/dbraw/zinc/93/23/49/525932349.db2.gz VYDFPKJSPTUVEU-UHFFFAOYSA-N 1 0 429.351 5.207 50 0 IKAARO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)[NH+]2CCC(C)CC2)o1 ZINC000021659861 525956644 /nfs/dbraw/zinc/95/66/44/525956644.db2.gz FIXDYSAZWCVSEK-DEOSSOPVSA-N 1 0 447.579 5.325 50 0 IKAARO CSc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000012244487 525994392 /nfs/dbraw/zinc/99/43/92/525994392.db2.gz MVQGDRAPHATWSW-KNQAVFIVSA-N 1 0 448.554 5.440 50 0 IKAARO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022785918 526186250 /nfs/dbraw/zinc/18/62/50/526186250.db2.gz BXMCUNCVLRHANP-GOSISDBHSA-N 1 0 432.955 5.422 50 0 IKAARO Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000022918660 526286694 /nfs/dbraw/zinc/28/66/94/526286694.db2.gz CLQYBJAATWHCJL-JOCHJYFZSA-N 1 0 447.410 5.375 50 0 IKAARO c1c(C[N@@H+]2CCC[C@H]2c2ccccn2)c(-c2ccc3c(c2)OCO3)nn1Cc1ccccc1 ZINC000012308686 526397445 /nfs/dbraw/zinc/39/74/45/526397445.db2.gz LPOVPYCGQIMYBS-DEOSSOPVSA-N 1 0 438.531 5.059 50 0 IKAARO O=C(CCCCc1ccccc1)Nc1ccc(N2CCC([NH2+]Cc3ccncc3)CC2)cc1 ZINC000014983718 526428867 /nfs/dbraw/zinc/42/88/67/526428867.db2.gz PBKBDNDDXPMCSF-UHFFFAOYSA-N 1 0 442.607 5.192 50 0 IKAARO c1cn2c(C[NH+]3CCC(c4nc5ccccc5s4)CC3)c(-c3ccccc3)nc2s1 ZINC000012588919 526536348 /nfs/dbraw/zinc/53/63/48/526536348.db2.gz MOSBRVGFGZJQNM-UHFFFAOYSA-N 1 0 430.602 6.052 50 0 IKAARO c1coc([C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)N2CCCC2)c1 ZINC000022914107 526569464 /nfs/dbraw/zinc/56/94/64/526569464.db2.gz BAPLAPOUQXQROP-RUZDIDTESA-N 1 0 426.564 5.118 50 0 IKAARO Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000012869879 526610140 /nfs/dbraw/zinc/61/01/40/526610140.db2.gz NDVYIWVZBWARHI-UHFFFAOYSA-N 1 0 442.588 5.172 50 0 IKAARO Cc1nc(C)c(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)nc1C ZINC000012373792 526716368 /nfs/dbraw/zinc/71/63/68/526716368.db2.gz IZVTXXKZGRTKDN-UHFFFAOYSA-N 1 0 432.543 5.059 50 0 IKAARO Cc1nc(C)c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)nc1C ZINC000012464852 526716452 /nfs/dbraw/zinc/71/64/52/526716452.db2.gz UHWOTMXLWTUBPO-QFIPXVFZSA-N 1 0 432.543 5.059 50 0 IKAARO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000020706261 526727946 /nfs/dbraw/zinc/72/79/46/526727946.db2.gz RNDDLUNROFQYFX-OYRHEFFESA-N 1 0 445.607 5.391 50 0 IKAARO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000012757157 526728246 /nfs/dbraw/zinc/72/82/46/526728246.db2.gz NCOMHHSPQBBVQT-UHFFFAOYSA-N 1 0 443.591 5.542 50 0 IKAARO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC([C@H](C)[NH+]2CCOCC2)CC1 ZINC000012478980 526729226 /nfs/dbraw/zinc/72/92/26/526729226.db2.gz CXMSCLBRCASJEM-NRFANRHFSA-N 1 0 445.607 5.250 50 0 IKAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+]1CCCC[C@@H]1CCN1CCCC1=O ZINC000012454760 526729798 /nfs/dbraw/zinc/72/97/98/526729798.db2.gz LPHUPCZQCFWKLK-LJQANCHMSA-N 1 0 435.490 5.036 50 0 IKAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000020994730 526732797 /nfs/dbraw/zinc/73/27/97/526732797.db2.gz CHOCYMZHFYUCBO-QGZVFWFLSA-N 1 0 441.453 6.190 50 0 IKAARO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012748944 526891284 /nfs/dbraw/zinc/89/12/84/526891284.db2.gz ZKPFDGFTSOIWBF-DVECYGJZSA-N 1 0 447.629 5.443 50 0 IKAARO Clc1ccccc1-c1nnc(-c2ccccc2C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000020853173 526986133 /nfs/dbraw/zinc/98/61/33/526986133.db2.gz WDLBOSXJNLXESC-UHFFFAOYSA-N 1 0 430.939 5.379 50 0 IKAARO Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]C2CCCCCC2)C4)cs1 ZINC000012218463 527069513 /nfs/dbraw/zinc/06/95/13/527069513.db2.gz HDXCYOOUYHQURO-YOEHRIQHSA-N 1 0 442.654 5.002 50 0 IKAARO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000020536949 527087778 /nfs/dbraw/zinc/08/77/78/527087778.db2.gz MORLFUIGVHAFLJ-JOCHJYFZSA-N 1 0 429.593 5.035 50 0 IKAARO O=C(Nc1c2ccccc2oc1[C@H](c1cccc(Cl)c1)[NH+]1CCCCC1)c1ccccc1 ZINC000015859496 527094926 /nfs/dbraw/zinc/09/49/26/527094926.db2.gz FPIXXXDDYMAUOD-VWLOTQADSA-N 1 0 444.962 6.914 50 0 IKAARO O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000035373599 527348433 /nfs/dbraw/zinc/34/84/33/527348433.db2.gz OEGCSRYULCXXTQ-UHFFFAOYSA-N 1 0 447.579 5.290 50 0 IKAARO O=C(Nc1cccc(N2CCC([NH2+]CC[C@@H](c3ccco3)c3ccccc3)CC2)c1)C1CC1 ZINC000012247933 527357246 /nfs/dbraw/zinc/35/72/46/527357246.db2.gz WJWBCNOQLNTOCA-AREMUKBSSA-N 1 0 443.591 5.409 50 0 IKAARO Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCC[N@@H+](C)C3CCCCC3)cc1CC2 ZINC000021043384 527550762 /nfs/dbraw/zinc/55/07/62/527550762.db2.gz SKKWMBJCFIODOO-UHFFFAOYSA-N 1 0 448.636 5.002 50 0 IKAARO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)Nc1ccccc1-c1ccccc1 ZINC000020889976 527609063 /nfs/dbraw/zinc/60/90/63/527609063.db2.gz FDUFGTIGJNGNIS-UHFFFAOYSA-N 1 0 433.983 6.041 50 0 IKAARO CCC[NH+]1CCN(c2nc(CSc3ccc(Cl)cc3)nc3sc(C)c(C)c32)CC1 ZINC000013037927 534937952 /nfs/dbraw/zinc/93/79/52/534937952.db2.gz IFQWWZHITVUYEW-UHFFFAOYSA-N 1 0 447.073 5.786 50 0 IKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)C[NH+]3CCCCC3)c2c(C)c1 ZINC000002083389 555738888 /nfs/dbraw/zinc/73/88/88/555738888.db2.gz JPRHZCNGHYNCPY-SANMLTNESA-N 1 0 438.615 6.439 50 0 IKAARO Fc1cccc(-c2nnc([C@@H]3CC34CC[NH+](Cc3ccc(F)c5cccnc35)CC4)o2)c1 ZINC000071890564 555746514 /nfs/dbraw/zinc/74/65/14/555746514.db2.gz ZUVCDFUXUWPOSW-FQEVSTJZSA-N 1 0 432.474 5.333 50 0 IKAARO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2Sc2ccc(Cl)cc2)CC1 ZINC000002187526 555755525 /nfs/dbraw/zinc/75/55/25/555755525.db2.gz ZDAJMYYAECUKOX-UHFFFAOYSA-N 1 0 439.983 6.725 50 0 IKAARO CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000034671602 555793026 /nfs/dbraw/zinc/79/30/26/555793026.db2.gz BZGNDTZUVYELPW-VSGBNLITSA-N 1 0 442.603 5.436 50 0 IKAARO CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000034671686 555793200 /nfs/dbraw/zinc/79/32/00/555793200.db2.gz HMYDGHQJZPGQCZ-VSGBNLITSA-N 1 0 442.603 5.436 50 0 IKAARO Cc1cccc(C(=O)N2C[C@@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000034698026 555812029 /nfs/dbraw/zinc/81/20/29/555812029.db2.gz IPQYCIMNLFBKQG-FYYLOGMGSA-N 1 0 430.514 5.356 50 0 IKAARO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccco2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698749 555812458 /nfs/dbraw/zinc/81/24/58/555812458.db2.gz RYCIYFBAXZVXOO-GJZUVCINSA-N 1 0 434.555 5.494 50 0 IKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2c2ccccc2)cc1 ZINC000034698956 555812488 /nfs/dbraw/zinc/81/24/88/555812488.db2.gz HRYOTVQVQADQEG-XTEPFMGCSA-N 1 0 441.619 5.404 50 0 IKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698784 555812551 /nfs/dbraw/zinc/81/25/51/555812551.db2.gz ZWCOCJLHTMXBGQ-XNMGPUDCSA-N 1 0 444.594 5.901 50 0 IKAARO Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3C)[C@@H](CN(C(=O)c3ccccc3)C(C)C)C2)oc1C ZINC000034698808 555812559 /nfs/dbraw/zinc/81/25/59/555812559.db2.gz TXZOYSCXCOPWJM-LEAFIULHSA-N 1 0 444.619 5.971 50 0 IKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccco2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000034699031 555812790 /nfs/dbraw/zinc/81/27/90/555812790.db2.gz UZLQUDHJFTYUQQ-ZEQKJWHPSA-N 1 0 434.555 5.433 50 0 IKAARO O=C(c1ccccc1)N(C[C@H]1C[N@H+](Cc2ccc[nH]2)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000034699019 555812826 /nfs/dbraw/zinc/81/28/26/555812826.db2.gz XTXXUZNVFNJAAJ-LEAFIULHSA-N 1 0 441.619 5.705 50 0 IKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2cccn2C)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000034699036 555812844 /nfs/dbraw/zinc/81/28/44/555812844.db2.gz IKQVHZNUXVEFTF-RPLLCQBOSA-N 1 0 447.598 5.178 50 0 IKAARO Cc1ccccc1C(=O)Nc1ccc(N2CCC[N@@H+](Cc3ccc(C(C)C)cc3)CC2)nc1 ZINC000034681783 555815264 /nfs/dbraw/zinc/81/52/64/555815264.db2.gz XWMOTVPTKLLFJO-UHFFFAOYSA-N 1 0 442.607 5.478 50 0 IKAARO CC[C@H](C(=O)Nc1ccc(N2CCC[N@H+](Cc3cccc(F)c3)CC2)nc1)c1ccccc1 ZINC000034681891 555815738 /nfs/dbraw/zinc/81/57/38/555815738.db2.gz KEPVZRORLUARHL-VWLOTQADSA-N 1 0 446.570 5.065 50 0 IKAARO COc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000034682503 555816355 /nfs/dbraw/zinc/81/63/55/555816355.db2.gz MWJFYIVFSNLZEE-UHFFFAOYSA-N 1 0 434.967 5.660 50 0 IKAARO O=C(c1cccs1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034682583 555816848 /nfs/dbraw/zinc/81/68/48/555816848.db2.gz XAZNVMMKQMWWBZ-UHFFFAOYSA-N 1 0 428.960 5.852 50 0 IKAARO Cc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1F ZINC000034682730 555817082 /nfs/dbraw/zinc/81/70/82/555817082.db2.gz HWEFQKAHTOIXDK-UHFFFAOYSA-N 1 0 436.958 6.099 50 0 IKAARO COc1ccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000034682825 555817522 /nfs/dbraw/zinc/81/75/22/555817522.db2.gz BUEGAHYOHQZWFK-UHFFFAOYSA-N 1 0 448.994 5.968 50 0 IKAARO Cc1cccc([C@@H]2C[C@@H](C(=O)NCc3cccc(F)c3)C[N@H+](Cc3ccccc3F)C2)c1 ZINC000034711420 555824401 /nfs/dbraw/zinc/82/44/01/555824401.db2.gz YBHSIBMBIOMRIC-DNQXCXABSA-N 1 0 434.530 5.195 50 0 IKAARO Cc1cccc([C@H]2C[C@H](C(=O)NCc3cccc(F)c3)C[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000034711447 555824434 /nfs/dbraw/zinc/82/44/34/555824434.db2.gz BXNWDMJXPVSMER-ZEQRLZLVSA-N 1 0 434.530 5.195 50 0 IKAARO Cc1cccc([C@@H]2C[C@H](C(=O)NCc3cccc(F)c3)C[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000034711446 555824536 /nfs/dbraw/zinc/82/45/36/555824536.db2.gz BXNWDMJXPVSMER-RPWUZVMVSA-N 1 0 434.530 5.195 50 0 IKAARO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2ccc(OCc4ccccc4)cc2)[C@@H]3CCC1 ZINC000002928813 555863804 /nfs/dbraw/zinc/86/38/04/555863804.db2.gz ZKXQQIFTFHUHNW-GDLZYMKVSA-N 1 0 436.599 6.812 50 0 IKAARO Cc1cc([C@H]2C[C@H](C(=O)NCc3ccccc3)C[N@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716627 555865749 /nfs/dbraw/zinc/86/57/49/555865749.db2.gz SQCNIMUXBLGGPT-ZEQRLZLVSA-N 1 0 434.530 5.195 50 0 IKAARO Cc1cc([C@@H]2C[C@@H](C(=O)NCc3ccccc3)C[N@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716628 555865950 /nfs/dbraw/zinc/86/59/50/555865950.db2.gz SQCNIMUXBLGGPT-DNQXCXABSA-N 1 0 434.530 5.195 50 0 IKAARO Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c(C2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000034730114 555869623 /nfs/dbraw/zinc/86/96/23/555869623.db2.gz UFDNIFQKAXHHNG-BKMJKUGQSA-N 1 0 449.614 5.704 50 0 IKAARO Cc1ccccc1N1CC[NH+](CC[C@H](Oc2ccc(F)cc2C)c2ccc(F)cc2)CC1 ZINC000034726652 555882028 /nfs/dbraw/zinc/88/20/28/555882028.db2.gz FTMKPWYYCHEGIQ-MHZLTWQESA-N 1 0 436.546 5.914 50 0 IKAARO COc1ccccc1N1CC[NH+](CC[C@H](Oc2cc(C)ccc2F)c2cccs2)CC1 ZINC000034726861 555882104 /nfs/dbraw/zinc/88/21/04/555882104.db2.gz YEMBYGJRLSLKSE-QHCPKHFHSA-N 1 0 440.584 5.537 50 0 IKAARO Fc1ccccc1O[C@@H](CCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC000034726994 555882317 /nfs/dbraw/zinc/88/23/17/555882317.db2.gz VVOBAQJMBLXFKU-VWLOTQADSA-N 1 0 438.974 5.807 50 0 IKAARO Cc1cc(O[C@H](CC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2)cc(C(C)C)c1 ZINC000034727221 555882453 /nfs/dbraw/zinc/88/24/53/555882453.db2.gz QLYGAVWUTDKWGX-GDLZYMKVSA-N 1 0 428.620 6.451 50 0 IKAARO COc1cccc([C@@H]2C[N@H+](Cc3sccc3C)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740311 555883282 /nfs/dbraw/zinc/88/32/82/555883282.db2.gz REBILFASLJNVIA-UPVQGACJSA-N 1 0 442.669 5.421 50 0 IKAARO Cc1cc(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@@H](CN(CC(C)C)C(=O)C(C)C)C2)oc1C ZINC000034740454 555883701 /nfs/dbraw/zinc/88/37/01/555883701.db2.gz CPBCGTTWUREHCM-RDGATRHJSA-N 1 0 428.592 5.392 50 0 IKAARO CC(=O)N(C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000034740727 555884096 /nfs/dbraw/zinc/88/40/96/555884096.db2.gz ZNWDLHREOQWNNJ-ILBGXUMGSA-N 1 0 440.578 5.670 50 0 IKAARO COc1ccc(CCC[NH+]2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000003798289 555946554 /nfs/dbraw/zinc/94/65/54/555946554.db2.gz WRTXEGOLODUQIE-UHFFFAOYSA-N 1 0 429.604 6.146 50 0 in-vitro IKAARO CCCCn1c2ccccc2n2c(C(C)=O)c(C[N@H+](C)C34CC5CC(CC(C5)C3)C4)nc12 ZINC000003833058 555946900 /nfs/dbraw/zinc/94/69/00/555946900.db2.gz LAPYSGPTEPJOTI-UHFFFAOYSA-N 1 0 432.612 5.692 50 0 IKAARO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1)c1ccccc1 ZINC000004575779 556002332 /nfs/dbraw/zinc/00/23/32/556002332.db2.gz FFOWQDDRXBXZSY-JOCHJYFZSA-N 1 0 428.576 5.355 50 0 IKAARO COc1ccccc1CNC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004702181 556006639 /nfs/dbraw/zinc/00/66/39/556006639.db2.gz KQSFXDNGHZVKEB-UHFFFAOYSA-N 1 0 428.576 5.080 50 0 IKAARO O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000004725526 556008184 /nfs/dbraw/zinc/00/81/84/556008184.db2.gz MFELZSOBTNRDDQ-UHFFFAOYSA-N 1 0 430.567 5.309 50 0 IKAARO CCOc1ccc([C@@](O)(c2ccccc2OC)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000004867461 556016967 /nfs/dbraw/zinc/01/69/67/556016967.db2.gz ZDJGXDXVDUHJFM-XTEPFMGCSA-N 1 0 431.576 5.209 50 0 IKAARO CC(C)Oc1ccc(C[NH2+]CC[C@]2(Cc3ccccc3Cl)CCOC(C)(C)C2)cc1 ZINC000005298087 556043968 /nfs/dbraw/zinc/04/39/68/556043968.db2.gz BKLWWQLRSDDEMT-AREMUKBSSA-N 1 0 430.032 6.425 50 0 IKAARO O=C([C@H]1CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1)N1CCc2ccccc2C1 ZINC000005650093 556061672 /nfs/dbraw/zinc/06/16/72/556061672.db2.gz BFSXUYWOVSCLNN-VWLOTQADSA-N 1 0 426.560 5.276 50 0 IKAARO COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CC[NH+](C(C)C)CC2)cc1 ZINC000006832843 556105765 /nfs/dbraw/zinc/10/57/65/556105765.db2.gz AKVNLPAONHYBMO-JOCHJYFZSA-N 1 0 425.960 5.093 50 0 IKAARO CCCc1ccc([C@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000002730250 556134229 /nfs/dbraw/zinc/13/42/29/556134229.db2.gz BMXDSXRHZLKCST-AWEZNQCLSA-N 1 0 448.419 6.359 50 0 IKAARO CC[C@H]([NH2+]CC(=O)Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(C)cc1 ZINC000002789233 556139030 /nfs/dbraw/zinc/13/90/30/556139030.db2.gz LFCWKFYAZKYDLW-SFHVURJKSA-N 1 0 444.398 5.560 50 0 IKAARO CC[NH+](CC)CCCNC(=O)c1cc(-c2cccc(OCC(C)C)c2)nc2ccccc21 ZINC000002789355 556139166 /nfs/dbraw/zinc/13/91/66/556139166.db2.gz AGPIXCAJSBVJSD-UHFFFAOYSA-N 1 0 433.596 5.398 50 0 IKAARO CC[NH+](CC)CCCN1C(=S)N=NC1c1ccc(COc2cc(C)ccc2Cl)cc1 ZINC000002793439 556145044 /nfs/dbraw/zinc/14/50/44/556145044.db2.gz ABTXDPQFEMAHIP-UHFFFAOYSA-N 1 0 445.032 5.507 50 0 IKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([NH2+]CC5CCCCC5)C4=O)cc3)sc2c1 ZINC000008414563 556167434 /nfs/dbraw/zinc/16/74/34/556167434.db2.gz OBQRXXDGKZFRBC-OAQYLSRUSA-N 1 0 433.577 5.074 50 0 IKAARO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000008454420 556185118 /nfs/dbraw/zinc/18/51/18/556185118.db2.gz FAQDEOCBZPQXSL-AWEZNQCLSA-N 1 0 444.398 5.424 50 0 IKAARO COc1ccc(CCNC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000008683704 556199595 /nfs/dbraw/zinc/19/95/95/556199595.db2.gz LISVZAAIAKHWGO-UHFFFAOYSA-N 1 0 442.603 5.122 50 0 IKAARO C[C@@H]([NH2+]Cc1cccc(OCc2c(Cl)cccc2Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000008874288 556230309 /nfs/dbraw/zinc/23/03/09/556230309.db2.gz YNINFXOIXJQORQ-GWKODMSMSA-N 1 0 444.446 7.267 50 0 IKAARO CC[NH+](CC)CCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000013734160 556297230 /nfs/dbraw/zinc/29/72/30/556297230.db2.gz OFCFHMQHRHGOET-UHFFFAOYSA-N 1 0 445.434 6.547 50 0 IKAARO Cc1cccc(C[N@H+](CCC(C)C)Cc2cccn2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000004455187 556299389 /nfs/dbraw/zinc/29/93/89/556299389.db2.gz ACKDBFKPOGFTTB-UHFFFAOYSA-N 1 0 428.542 6.912 50 0 IKAARO c1c(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000032740425 556300451 /nfs/dbraw/zinc/30/04/51/556300451.db2.gz NBVZMKCIRQMPLU-NDEPHWFRSA-N 1 0 430.555 6.008 50 0 IKAARO COc1ccc(C[NH2+]Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 ZINC000010315662 556330937 /nfs/dbraw/zinc/33/09/37/556330937.db2.gz XIJDNGJEMAKHTP-UHFFFAOYSA-N 1 0 425.359 6.295 50 0 IKAARO CCC[C@@H]([NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1)c1ccccc1 ZINC000010436005 556334517 /nfs/dbraw/zinc/33/45/17/556334517.db2.gz IGHYYHXTBZAACW-HSZRJFAPSA-N 1 0 444.402 7.212 50 0 IKAARO CCOc1c(Br)cc(C[NH2+]Cc2ccccc2Cl)cc1Br ZINC000010474129 556335985 /nfs/dbraw/zinc/33/59/85/556335985.db2.gz QVWGFTBSXNISDC-UHFFFAOYSA-N 1 0 433.571 5.554 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)c1 ZINC000011662720 556343867 /nfs/dbraw/zinc/34/38/67/556343867.db2.gz NNIHUDQJJGLQIE-UHFFFAOYSA-N 1 0 440.996 5.928 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3ccc(F)cc3OC)CC2)c1 ZINC000011706083 556347737 /nfs/dbraw/zinc/34/77/37/556347737.db2.gz IUMYNCLLOJJODX-UHFFFAOYSA-N 1 0 448.538 5.361 50 0 IKAARO CCn1cc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)CC2)c(C)n1 ZINC000011717710 556348489 /nfs/dbraw/zinc/34/84/89/556348489.db2.gz GVLJWSZBNTVRKB-UHFFFAOYSA-N 1 0 441.579 5.210 50 0 IKAARO O=C(CCCc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000011760920 556349452 /nfs/dbraw/zinc/34/94/52/556349452.db2.gz VZVSNQFZTIYLDI-UHFFFAOYSA-N 1 0 436.987 5.335 50 0 IKAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccc(-c3ccco3)c2)CC1)c1cccc(F)c1 ZINC000011769556 556350197 /nfs/dbraw/zinc/35/01/97/556350197.db2.gz NIYWPTURUUSOKG-UHFFFAOYSA-N 1 0 444.510 5.372 50 0 IKAARO CN(C(=O)c1ccco1)[C@@H](Cc1ccc(F)cc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000011783917 556352061 /nfs/dbraw/zinc/35/20/61/556352061.db2.gz HDKIBDAWPRGYAC-DEOSSOPVSA-N 1 0 438.518 5.153 50 0 IKAARO Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000011784043 556352069 /nfs/dbraw/zinc/35/20/69/556352069.db2.gz QUMCBIWMIKGKJX-AREMUKBSSA-N 1 0 434.555 5.323 50 0 IKAARO COc1cccc(-c2nc3cc(F)ccc3cc2C[NH2+]Cc2cccc(OC)c2OC)c1 ZINC000011791361 556356103 /nfs/dbraw/zinc/35/61/03/556356103.db2.gz XJZBRKBENCEPSM-UHFFFAOYSA-N 1 0 432.495 5.357 50 0 IKAARO FC(F)(F)c1cccc(-c2cncnc2C2CC[NH+](Cc3cccc4c3OCO4)CC2)c1 ZINC000011814742 556357978 /nfs/dbraw/zinc/35/79/78/556357978.db2.gz BXJUFVXJPRWSAM-UHFFFAOYSA-N 1 0 441.453 5.271 50 0 IKAARO COc1cc(C(=O)N(C)CC2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)ccc1C ZINC000011816369 556359123 /nfs/dbraw/zinc/35/91/23/556359123.db2.gz COXBRPPASOVKAC-UHFFFAOYSA-N 1 0 448.529 5.049 50 0 IKAARO OCC1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000011818978 556361153 /nfs/dbraw/zinc/36/11/53/556361153.db2.gz ZAXTXGADGKKTMC-UHFFFAOYSA-N 1 0 447.476 5.052 50 0 IKAARO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc4cc(NC(C)=O)ccc4n3)C2)cc1 ZINC000011820823 556362357 /nfs/dbraw/zinc/36/23/57/556362357.db2.gz YHCQXDHKCFYIIV-HXUWFJFHSA-N 1 0 433.577 5.010 50 0 IKAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+]([C@H](C)Cc2cccc(C)n2)CC1 ZINC000011821400 556362751 /nfs/dbraw/zinc/36/27/51/556362751.db2.gz BUEFEBUWABPCKF-LJQANCHMSA-N 1 0 448.529 5.228 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](C/C(C)=C/c3ccccc3)CC2)c1 ZINC000011844468 556367433 /nfs/dbraw/zinc/36/74/33/556367433.db2.gz YDEXCQLUPNLFAM-ZBJSNUHESA-N 1 0 440.587 6.116 50 0 IKAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)cc1 ZINC000011873132 556369496 /nfs/dbraw/zinc/36/94/96/556369496.db2.gz MAYYLILRSYRNJK-HXUWFJFHSA-N 1 0 436.502 5.491 50 0 IKAARO CN(C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccc2[nH]ccc2c1 ZINC000011873049 556369555 /nfs/dbraw/zinc/36/95/55/556369555.db2.gz WNVBORGVDXULFN-IBGZPJMESA-N 1 0 443.513 5.213 50 0 IKAARO COC(=O)c1sc2nc(C[N@H+](C)CC(C)C)ccc2c1NC(=O)c1ccc(C)cc1C ZINC000011880429 556372535 /nfs/dbraw/zinc/37/25/35/556372535.db2.gz IQFWAVRPPBBAJU-UHFFFAOYSA-N 1 0 439.581 5.040 50 0 IKAARO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000014123994 556372768 /nfs/dbraw/zinc/37/27/68/556372768.db2.gz CXGVJXKGBFAKTL-XMMPIXPASA-N 1 0 447.629 5.443 50 0 IKAARO O=C(N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1)C1(c2ccccc2)CC1 ZINC000011936873 556379063 /nfs/dbraw/zinc/37/90/63/556379063.db2.gz SRDTXHUMIONURP-XMMPIXPASA-N 1 0 431.624 5.187 50 0 IKAARO CC(=O)Nc1ccc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)cc1 ZINC000011937592 556379543 /nfs/dbraw/zinc/37/95/43/556379543.db2.gz CYHHJKJBSWMOQA-RUZDIDTESA-N 1 0 434.628 5.087 50 0 IKAARO C/C(=C\c1ccccc1)C[NH+]1CCC2(C[C@H]2C(=O)NCc2ccccc2C(F)(F)F)CC1 ZINC000011965606 556381906 /nfs/dbraw/zinc/38/19/06/556381906.db2.gz RZARQIUOSSTGJD-UWUFYVNFSA-N 1 0 442.525 5.527 50 0 IKAARO Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)o1 ZINC000011998193 556384858 /nfs/dbraw/zinc/38/48/58/556384858.db2.gz YJPJFEHIVCGXEL-MHZLTWQESA-N 1 0 442.603 5.529 50 0 IKAARO CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000011999181 556385253 /nfs/dbraw/zinc/38/52/53/556385253.db2.gz WAIHCTDBXZQCIL-DEOSSOPVSA-N 1 0 436.596 5.483 50 0 IKAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccccc2OC2CCCC2)CC1)c1ccccc1 ZINC000012005650 556386682 /nfs/dbraw/zinc/38/66/82/556386682.db2.gz HMSWWZPJQAUPJW-UHFFFAOYSA-N 1 0 444.579 5.294 50 0 IKAARO O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ccc(C3CCCC3)s2)CC1 ZINC000012074002 556396839 /nfs/dbraw/zinc/39/68/39/556396839.db2.gz LXPOHJSCAIZQNY-UHFFFAOYSA-N 1 0 448.636 5.621 50 0 IKAARO CCCc1ncc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)cn1 ZINC000012075720 556397582 /nfs/dbraw/zinc/39/75/82/556397582.db2.gz PVHOMLCFZAMBQK-UHFFFAOYSA-N 1 0 432.543 5.086 50 0 IKAARO O=C(NC1CCCC1)c1ccc(OC2CC[NH+](C/C=C/c3ccco3)CC2)c(Cl)c1 ZINC000012076619 556397859 /nfs/dbraw/zinc/39/78/59/556397859.db2.gz SJKYPESVWCYBNA-XVNBXDOJSA-N 1 0 428.960 5.162 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000012091462 556402476 /nfs/dbraw/zinc/40/24/76/556402476.db2.gz PALAMWFSLKAEEH-UHFFFAOYSA-N 1 0 434.967 5.866 50 0 IKAARO CC[C@@H]([NH2+]Cc1cn(-c2ccc(OC)cc2)nc1-c1ccccc1Cl)c1ccncc1 ZINC000012320867 556403357 /nfs/dbraw/zinc/40/33/57/556403357.db2.gz SBUVXRBNBUKDCH-XMMPIXPASA-N 1 0 432.955 5.837 50 0 IKAARO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(Oc4ncccn4)cc3)C2)c1 ZINC000012373485 556403641 /nfs/dbraw/zinc/40/36/41/556403641.db2.gz BHAXNSOHSUVDED-JOCHJYFZSA-N 1 0 431.536 5.151 50 0 IKAARO O=C(c1cc2sccc2[nH]1)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000012429293 556404279 /nfs/dbraw/zinc/40/42/79/556404279.db2.gz PVQRHGCLQIEXOX-HXUWFJFHSA-N 1 0 436.625 5.312 50 0 IKAARO C[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000032843114 556428206 /nfs/dbraw/zinc/42/82/06/556428206.db2.gz WAKCYTPVUIOWIC-GOSISDBHSA-N 1 0 432.383 5.049 50 0 IKAARO Cc1ccc(SCC[NH2+][C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)cc1 ZINC000012993661 556429420 /nfs/dbraw/zinc/42/94/20/556429420.db2.gz FSGFEJMNPFCVAQ-AWEZNQCLSA-N 1 0 427.620 5.464 50 0 IKAARO O=C(C[NH2+][C@H](Cc1ccccc1)c1ccccc1)N[C@H](c1cccs1)c1ccccc1 ZINC000014670852 556431314 /nfs/dbraw/zinc/43/13/14/556431314.db2.gz OFAYBEXHISKISS-SQHAQQRYSA-N 1 0 426.585 5.527 50 0 IKAARO O=C(C[NH2+][C@H](Cc1ccccc1)c1ccccc1)N[C@@H](c1cccs1)c1ccccc1 ZINC000014670854 556431445 /nfs/dbraw/zinc/43/14/45/556431445.db2.gz OFAYBEXHISKISS-SHQCIBLASA-N 1 0 426.585 5.527 50 0 IKAARO c1ccc([C@@H](CNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)[NH+]2CCCC2)cc1 ZINC000013042128 556448188 /nfs/dbraw/zinc/44/81/88/556448188.db2.gz JLCNPGBUHVCDFQ-OAQYLSRUSA-N 1 0 441.604 5.491 50 0 IKAARO Cc1cc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCC3)cc(=O)c2cc1C ZINC000028289094 556448854 /nfs/dbraw/zinc/44/88/54/556448854.db2.gz PEFVANLWISBZKQ-HSZRJFAPSA-N 1 0 446.591 5.274 50 0 IKAARO Cc1c(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)oc2cc(C)cc(C)c12 ZINC000028289197 556449161 /nfs/dbraw/zinc/44/91/61/556449161.db2.gz TZBWGPUQPSMBCB-QHCPKHFHSA-N 1 0 432.608 6.222 50 0 IKAARO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028289189 556449271 /nfs/dbraw/zinc/44/92/71/556449271.db2.gz ZPMCDHAZUFIRFH-JOCHJYFZSA-N 1 0 438.999 6.259 50 0 IKAARO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028289991 556449530 /nfs/dbraw/zinc/44/95/30/556449530.db2.gz GWPWSUHRRKBVLL-DEOSSOPVSA-N 1 0 432.608 6.222 50 0 IKAARO CCCCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCCC1 ZINC000028293069 556450790 /nfs/dbraw/zinc/45/07/90/556450790.db2.gz JXHGUTMLPDRNII-RUZDIDTESA-N 1 0 436.640 6.120 50 0 IKAARO COc1ccc([C@H](CNc2ncnc3cc(-c4ccc(Cl)cc4)sc32)[NH+](C)C)cc1 ZINC000013070212 556453305 /nfs/dbraw/zinc/45/33/05/556453305.db2.gz APARUZROHWBLCH-FQEVSTJZSA-N 1 0 438.984 5.735 50 0 IKAARO CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3ccccc3o2)[NH+]2CCCCC2)cc1 ZINC000028402842 556453366 /nfs/dbraw/zinc/45/33/66/556453366.db2.gz GRMNLNOYPVOFEH-JOCHJYFZSA-N 1 0 432.564 5.048 50 0 IKAARO CCC1CCC([N@H+](Cc2cc(=O)n3nc(C)sc3n2)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000072275075 556455330 /nfs/dbraw/zinc/45/53/30/556455330.db2.gz HCJUAUHSPDXKAC-NNDYNSRJSA-N 1 0 428.577 5.131 50 0 IKAARO CCC1CCC([N@H+](Cc2cc(=O)n3nc(C)sc3n2)[C@H](C)c2ccc(F)cc2)CC1 ZINC000072275076 556455413 /nfs/dbraw/zinc/45/54/13/556455413.db2.gz HCJUAUHSPDXKAC-FPPRHVDESA-N 1 0 428.577 5.131 50 0 IKAARO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000014915624 556458450 /nfs/dbraw/zinc/45/84/50/556458450.db2.gz OMLBQSYYAGLYND-HNNXBMFYSA-N 1 0 432.873 6.065 50 0 IKAARO CC1(C)C[C@@H](C[NH+]2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)CCO1 ZINC000014957230 556462745 /nfs/dbraw/zinc/46/27/45/556462745.db2.gz IRKKIDWBPJPBIJ-IBGZPJMESA-N 1 0 449.035 5.015 50 0 IKAARO CCCc1ncc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)cn1 ZINC000014959489 556463468 /nfs/dbraw/zinc/46/34/68/556463468.db2.gz SATDPIFZUWIXPS-UHFFFAOYSA-N 1 0 448.998 5.600 50 0 IKAARO COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3[NH+]=C(c3ccccc3)N2C2CC2)cc1 ZINC000013112500 556464880 /nfs/dbraw/zinc/46/48/80/556464880.db2.gz MNVDLDBUNHXHKM-AREMUKBSSA-N 1 0 434.543 5.835 50 0 IKAARO COc1ccc(-c2nc(C[NH+]3CCC(Sc4ccc(F)cc4)CC3)c(C)o2)c(OC)c1 ZINC000014966711 556465793 /nfs/dbraw/zinc/46/57/93/556465793.db2.gz XPPZGMKHCOUPRN-UHFFFAOYSA-N 1 0 442.556 5.563 50 0 IKAARO COc1ccc(NC(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)c(C)c1 ZINC000014969338 556466453 /nfs/dbraw/zinc/46/64/53/556466453.db2.gz JCYDMXODECTNIT-HXUWFJFHSA-N 1 0 429.992 5.075 50 0 IKAARO Cc1nc(C(=O)NCCOc2ccc(C[N@@H+](C)Cc3cccc4ccccc43)cc2)cs1 ZINC000014976351 556468853 /nfs/dbraw/zinc/46/88/53/556468853.db2.gz REJQPVQZWYQVPX-UHFFFAOYSA-N 1 0 445.588 5.046 50 0 IKAARO C[N@H+](Cc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1)Cc1cccc2ccccc21 ZINC000014984604 556472369 /nfs/dbraw/zinc/47/23/69/556472369.db2.gz VTKKJVXTVYOQHX-UHFFFAOYSA-N 1 0 442.534 5.420 50 0 IKAARO Cc1ccsc1C(=O)NCCOc1ccc(C[N@@H+](C)Cc2cccc3ccccc32)cc1 ZINC000014991413 556475110 /nfs/dbraw/zinc/47/51/10/556475110.db2.gz XFISZRIRGGCPEO-UHFFFAOYSA-N 1 0 444.600 5.651 50 0 IKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000029563084 556478044 /nfs/dbraw/zinc/47/80/44/556478044.db2.gz ADSHXRCMMTUPIK-UHFFFAOYSA-N 1 0 430.514 5.298 50 0 IKAARO Cc1[nH]c2c(cccc2C(=O)NC[C@H](C)Oc2cccc(C[N@H+](C)Cc3ccoc3)c2)c1C ZINC000014999846 556479443 /nfs/dbraw/zinc/47/94/43/556479443.db2.gz GPVLMJXRUOXAAN-SFHVURJKSA-N 1 0 445.563 5.207 50 0 IKAARO C[NH+](C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NCCC1=CCCCC1 ZINC000015000694 556479878 /nfs/dbraw/zinc/47/98/78/556479878.db2.gz YYKWMARFYPVOKY-UHFFFAOYSA-N 1 0 449.620 5.410 50 0 IKAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N1CCC(c2ccccc2)CC1 ZINC000015002694 556480554 /nfs/dbraw/zinc/48/05/54/556480554.db2.gz BGASAJQCEIYUNH-UHFFFAOYSA-N 1 0 428.576 5.200 50 0 IKAARO FC(F)(F)c1ccccc1C[NH2+]Cc1cc2cc3c(cc2nc1-c1ccsc1)OCO3 ZINC000015003747 556480801 /nfs/dbraw/zinc/48/08/01/556480801.db2.gz HNVSZUUJLPGYRL-UHFFFAOYSA-N 1 0 442.462 6.001 50 0 IKAARO COc1ccc([C@H](CNC(=O)CCCSc2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000013134106 556482015 /nfs/dbraw/zinc/48/20/15/556482015.db2.gz ZAPPWBISYXAEGR-QHCPKHFHSA-N 1 0 447.044 5.564 50 0 IKAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000015064669 556492138 /nfs/dbraw/zinc/49/21/38/556492138.db2.gz SJZJLKMGOQPYRN-UHFFFAOYSA-N 1 0 440.547 5.134 50 0 IKAARO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000015067036 556493376 /nfs/dbraw/zinc/49/33/76/556493376.db2.gz XTDADCYKYIVXOD-FQEVSTJZSA-N 1 0 434.634 5.702 50 0 IKAARO OC[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2cnc(-c3cccc4ccccc43)nc2)C1 ZINC000015067415 556493385 /nfs/dbraw/zinc/49/33/85/556493385.db2.gz AKPSFAAZCMCHFJ-GDLZYMKVSA-N 1 0 437.587 5.504 50 0 IKAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cc(CC(C)C)n[nH]2)Cc2cccnc2)CC1 ZINC000015067549 556493873 /nfs/dbraw/zinc/49/38/73/556493873.db2.gz XBNPTIWLWGJTGZ-UHFFFAOYSA-N 1 0 445.655 5.226 50 0 IKAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[NH+]1CCC(OCc2cccnc2)CC1 ZINC000015072785 556497361 /nfs/dbraw/zinc/49/73/61/556497361.db2.gz IKRMWAOJWXJIGM-UHFFFAOYSA-N 1 0 431.458 5.245 50 0 IKAARO O=C(CSc1ccccc1)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000015074091 556498015 /nfs/dbraw/zinc/49/80/15/556498015.db2.gz YBWNESZQYBYAGV-HSZRJFAPSA-N 1 0 437.653 5.247 50 0 IKAARO c1nn(-c2ccccn2)c2c1[C@H]([NH2+]Cc1cn(-c3ccccc3)nc1-c1ccccc1)CCC2 ZINC000015075021 556498891 /nfs/dbraw/zinc/49/88/91/556498891.db2.gz QXIDJIQGQGBYKM-RUZDIDTESA-N 1 0 446.558 5.287 50 0 IKAARO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000072294362 556507077 /nfs/dbraw/zinc/50/70/77/556507077.db2.gz IFBQMJSQUSSQMN-DKDGFOABSA-N 1 0 439.644 5.097 50 0 IKAARO CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)CC[NH+]1CCCCC1)c1ccccc1CC2 ZINC000013511446 556510335 /nfs/dbraw/zinc/51/03/35/556510335.db2.gz PGRJZCQJNBSGHM-UHFFFAOYSA-N 1 0 435.568 5.283 50 0 IKAARO Cc1oc(C2CC[NH+](CCC(=O)Nc3ccc(F)c(F)c3)CC2)nc1-c1ccccc1 ZINC000072304928 556549280 /nfs/dbraw/zinc/54/92/80/556549280.db2.gz RXBYOHAAMCMLOO-UHFFFAOYSA-N 1 0 425.479 5.136 50 0 IKAARO CCOc1ccc(-n2c3c(c(S[C@H]([NH3+])c4cccc5ccccc54)nc2=O)CCC3)cc1 ZINC000015840510 556556760 /nfs/dbraw/zinc/55/67/60/556556760.db2.gz OKHVVBCGJPWCON-DEOSSOPVSA-N 1 0 443.572 5.023 50 0 IKAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCCC1)c1cc(-c2ccc3c(c2)CCCC3)on1 ZINC000015859974 556558507 /nfs/dbraw/zinc/55/85/07/556558507.db2.gz HJRHFUZWAIIANN-HSZRJFAPSA-N 1 0 449.620 5.629 50 0 IKAARO COc1cc(Nc2ncnc3c2c(C)c(C)n3-c2cccc(Cl)c2)cc(OC)c1OC ZINC000032960522 556567803 /nfs/dbraw/zinc/56/78/03/556567803.db2.gz MBWSAQSGUWBVBA-UHFFFAOYSA-N 1 0 438.915 5.460 50 0 IKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(C)cc4)cc2)N3)C1 ZINC000015947412 556568312 /nfs/dbraw/zinc/56/83/12/556568312.db2.gz NCRSCDSWXAYGHR-JOCHJYFZSA-N 1 0 447.560 5.083 50 0 IKAARO COc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1OCc1ccccc1 ZINC000022860305 556578248 /nfs/dbraw/zinc/57/82/48/556578248.db2.gz MLYBYDDAGOKMAX-LBNVMWSVSA-N 1 0 434.624 5.503 50 0 IKAARO CC[N@H+](C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000016043567 556578269 /nfs/dbraw/zinc/57/82/69/556578269.db2.gz BYDLRSWUPWDWLT-KNSFSRGUSA-N 1 0 447.663 6.043 50 0 IKAARO O[C@@H](COCc1ccccc1Cl)C[N@H+](Cc1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000016050334 556580801 /nfs/dbraw/zinc/58/08/01/556580801.db2.gz YTCCARMXMPGYCF-HUUFRCNWSA-N 1 0 446.056 5.750 50 0 IKAARO O[C@H](COCc1ccccc1Cl)C[N@H+](Cc1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000016050335 556581034 /nfs/dbraw/zinc/58/10/34/556581034.db2.gz YTCCARMXMPGYCF-LFCNWEHWSA-N 1 0 446.056 5.750 50 0 IKAARO Fc1ccc(N2CC[NH+](CC[C@H](Oc3ccc(F)c(F)c3)c3cccs3)CC2)cc1 ZINC000034726919 556581713 /nfs/dbraw/zinc/58/17/13/556581713.db2.gz LZOQCLJWISRXOH-QFIPXVFZSA-N 1 0 432.511 5.498 50 0 IKAARO COc1ccc([C@H](CNC(=O)c2ncc(Cl)c(Cl)c2Cl)[NH+]2CCCCC2)cc1 ZINC000032969156 556587928 /nfs/dbraw/zinc/58/79/28/556587928.db2.gz XBMWLVYFCQZXNG-INIZCTEOSA-N 1 0 442.774 5.007 50 0 IKAARO CCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)C1CC1 ZINC000036301777 556596292 /nfs/dbraw/zinc/59/62/92/556596292.db2.gz ASPJGJRMHVKFJA-QFIPXVFZSA-N 1 0 439.987 5.752 50 0 IKAARO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000032974949 556596740 /nfs/dbraw/zinc/59/67/40/556596740.db2.gz DWELTCRUIUJKCA-UHFFFAOYSA-N 1 0 444.623 5.161 50 0 IKAARO CCc1cccc(CC)c1NC(=O)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000033637971 556615135 /nfs/dbraw/zinc/61/51/35/556615135.db2.gz ZTTPCWICUVHXNP-UHFFFAOYSA-N 1 0 439.603 5.138 50 0 IKAARO C[C@]12CC3CC([NH2+]Cc4ccccc4OCc4ccc(Cl)cc4Cl)(C1)C[C@@](C)(C3)C2 ZINC000016606169 556616988 /nfs/dbraw/zinc/61/69/88/556616988.db2.gz BZVWHSKSLRTMBR-WNPZUFKQSA-N 1 0 444.446 7.411 50 0 IKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000005043266 556626774 /nfs/dbraw/zinc/62/67/74/556626774.db2.gz HUCNIQNWHZLKDT-IERDGZPVSA-N 1 0 429.992 5.210 50 0 IKAARO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCCC4=CCCCC4)CC3)c(C)o2)cc1 ZINC000005043638 556627110 /nfs/dbraw/zinc/62/71/10/556627110.db2.gz SFICXNPHWIPRIY-UHFFFAOYSA-N 1 0 435.612 5.431 50 0 IKAARO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)NCc4ccc(C)cc4)C3)c(C)o2)cc1 ZINC000005055957 556627617 /nfs/dbraw/zinc/62/76/17/556627617.db2.gz MMSRMUUDBVMILG-XMMPIXPASA-N 1 0 431.580 5.049 50 0 IKAARO CCC[C@H](C)[NH2+][C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2)c1ccccc1 ZINC000033784957 556634968 /nfs/dbraw/zinc/63/49/68/556634968.db2.gz CCDWAUMLYUPPOD-JLHGSKIFSA-N 1 0 442.625 5.508 50 0 IKAARO CCC[C@H](C)[NH2+][C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2)c1ccccc1 ZINC000033784958 556634980 /nfs/dbraw/zinc/63/49/80/556634980.db2.gz CCDWAUMLYUPPOD-HYFFOGBASA-N 1 0 442.625 5.508 50 0 IKAARO CC[NH+](CC)CCCN1C(=S)N=NC1c1ccc(COc2ccc(Cl)cc2C)o1 ZINC000033803633 556636632 /nfs/dbraw/zinc/63/66/32/556636632.db2.gz MPKCPSMXVQUWLF-UHFFFAOYSA-N 1 0 434.993 5.100 50 0 IKAARO COc1ccc([C@@](O)(CCc2ccccc2)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000005152859 556643260 /nfs/dbraw/zinc/64/32/60/556643260.db2.gz IOIGVAUFZBFTFN-VMPREFPWSA-N 1 0 429.604 5.785 50 0 IKAARO CC1=C(c2ccccc2)[N@H+](Cc2ccccc2)C[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000247942319 556649036 /nfs/dbraw/zinc/64/90/36/556649036.db2.gz VDDUSYQXSVDMQA-XZWHSSHBSA-N 1 0 443.590 7.216 50 0 IKAARO COc1ccc2cc(-c3cc(C(=O)OC4CC[NH+](C)CC4)c4ccccc4n3)ccc2c1 ZINC000033005414 556655100 /nfs/dbraw/zinc/65/51/00/556655100.db2.gz GJYNPDCWJCKJOF-UHFFFAOYSA-N 1 0 426.516 5.315 50 0 IKAARO CCOc1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)ccc1OC ZINC000042925966 556660116 /nfs/dbraw/zinc/66/01/16/556660116.db2.gz PQDMCVRJXOYHHA-KRWDZBQOSA-N 1 0 427.495 5.142 50 0 IKAARO C[C@H](c1cc(-c2ccccc2)n[nH]1)[N@H+](C)[C@@H]1CCC(=O)N(Cc2ccccc2Cl)CC1 ZINC000042942773 556660160 /nfs/dbraw/zinc/66/01/60/556660160.db2.gz QZPVXHSWRFPXNM-WIYYLYMNSA-N 1 0 436.987 5.304 50 0 IKAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)C1 ZINC000248063137 556660208 /nfs/dbraw/zinc/66/02/08/556660208.db2.gz DIMMTJPZPIAQTM-SCTDSRPQSA-N 1 0 433.625 5.084 50 0 IKAARO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000248108145 556662976 /nfs/dbraw/zinc/66/29/76/556662976.db2.gz RKGGBSVKGXHFPX-ZCYQVOJMSA-N 1 0 443.591 5.364 50 0 IKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2cccn2C)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248115425 556665928 /nfs/dbraw/zinc/66/59/28/556665928.db2.gz IKQVHZNUXVEFTF-SQHAQQRYSA-N 1 0 447.598 5.178 50 0 IKAARO CC(=O)N(C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000248124806 556667882 /nfs/dbraw/zinc/66/78/82/556667882.db2.gz ZNWDLHREOQWNNJ-ZCYQVOJMSA-N 1 0 440.578 5.670 50 0 IKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([NH2+][C@@H]5CCCC[C@H]5C)C4=O)cc3)sc2c1 ZINC000248329893 556680182 /nfs/dbraw/zinc/68/01/82/556680182.db2.gz DVJSWUYRKLDTMP-BSIFCXSSSA-N 1 0 433.577 5.072 50 0 IKAARO CSc1cccc(NC(=S)N(CCC[N@@H+]2CCC[C@@H](C)C2)Cc2cccs2)c1 ZINC000013573473 556698969 /nfs/dbraw/zinc/69/89/69/556698969.db2.gz CRVUUBTYQNLMAN-GOSISDBHSA-N 1 0 433.712 5.791 50 0 IKAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+][C@@H](C)CCCC(C)(C)O)cc1 ZINC000019113802 556699860 /nfs/dbraw/zinc/69/98/60/556699860.db2.gz OOYCQYFHZVIFJK-SFHVURJKSA-N 1 0 425.548 5.106 50 0 IKAARO Cc1ccc(-c2nccc(Nc3cccc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)c3)n2)cc1 ZINC000033025305 556699875 /nfs/dbraw/zinc/69/98/75/556699875.db2.gz IKDBZTJJIXFIGI-OAQYLSRUSA-N 1 0 443.595 5.190 50 0 IKAARO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)cc1O ZINC000019228610 556717830 /nfs/dbraw/zinc/71/78/30/556717830.db2.gz GOSLXGGIPJMYSR-KRWDZBQOSA-N 1 0 431.458 5.189 50 0 IKAARO O=C1[C@@H]2CCC[C@H]1[C@@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 ZINC000013765312 556728632 /nfs/dbraw/zinc/72/86/32/556728632.db2.gz QVDGXRZENJEJRK-FCGDIQPGSA-N 1 0 449.186 5.583 50 0 IKAARO C[C@@H]1[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)C[N@H+](Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000013763898 556728901 /nfs/dbraw/zinc/72/89/01/556728901.db2.gz LBMQWGLSKLHDSA-ZGYHLWMKSA-N 1 0 445.606 7.163 50 0 IKAARO CC(C)(C)c1cc(N2CC[NH+](Cc3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000054284473 556729864 /nfs/dbraw/zinc/72/98/64/556729864.db2.gz FDMUDZNZOKMGGE-UHFFFAOYSA-N 1 0 425.580 5.016 50 0 IKAARO c1c2ccccc2oc1-c1nn(Cc2ccccc2)cc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000055054657 556733119 /nfs/dbraw/zinc/73/31/19/556733119.db2.gz MPRSRPGBDXIFEF-UHFFFAOYSA-N 1 0 449.558 5.062 50 0 IKAARO COc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)cc1OC ZINC000055254222 556738895 /nfs/dbraw/zinc/73/88/95/556738895.db2.gz XWQOTDKUAALVKE-DEOSSOPVSA-N 1 0 437.628 5.146 50 0 IKAARO FC(F)(F)c1cccc(N2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)c1 ZINC000055292359 556739808 /nfs/dbraw/zinc/73/98/08/556739808.db2.gz GDVFEWCMCDJEHN-UHFFFAOYSA-N 1 0 426.482 5.607 50 0 IKAARO CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1Cl ZINC000055529283 556741978 /nfs/dbraw/zinc/74/19/78/556741978.db2.gz ZZLLOPXLPRLFJY-UHFFFAOYSA-N 1 0 449.982 5.313 50 0 IKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000055554202 556742265 /nfs/dbraw/zinc/74/22/65/556742265.db2.gz FIMRKARYEUZMOV-UHFFFAOYSA-N 1 0 447.582 5.928 50 0 IKAARO C[C@H](C[NH+](Cc1ccccc1)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1Cl ZINC000057322412 556747252 /nfs/dbraw/zinc/74/72/52/556747252.db2.gz UMOXMVJJAGHDMD-GOSISDBHSA-N 1 0 428.359 6.241 50 0 IKAARO Clc1ccc2c(c1)[C@H](N1CC[NH+](CCCc3ccccc3)CC1)Cc1ccccc1S2 ZINC000019370902 556748326 /nfs/dbraw/zinc/74/83/26/556748326.db2.gz MEDWDHFXMSTIMQ-RUZDIDTESA-N 1 0 449.063 6.339 50 0 IKAARO COc1ccc([C@@H]2[NH2+]C[C@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000083975920 556748857 /nfs/dbraw/zinc/74/88/57/556748857.db2.gz MIBRBZIHVIFGLP-CLOONOSVSA-N 1 0 444.531 5.027 50 0 IKAARO CC(C)OCc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000058160057 556764398 /nfs/dbraw/zinc/76/43/98/556764398.db2.gz GBCBPFBMRCYNFV-UHFFFAOYSA-N 1 0 443.591 5.186 50 0 IKAARO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+]C[C@H](c2cccs2)c2c[nH]c3ccccc32)c1C ZINC000058175570 556769524 /nfs/dbraw/zinc/76/95/24/556769524.db2.gz KFLIWZASLSTNTD-UZLBHIALSA-N 1 0 433.577 5.370 50 0 IKAARO COc1ccccc1[C@@]1(CC[NH2+]Cc2ccc(OC(C)C)cc2)CCO[C@H](C(C)C)C1 ZINC000005399489 556797420 /nfs/dbraw/zinc/79/74/20/556797420.db2.gz IQUJHWGJJULTIB-SVBPBHIXSA-N 1 0 425.613 5.735 50 0 IKAARO O=S1(=O)CC[C@@H]([n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)C1 ZINC000003197240 556804289 /nfs/dbraw/zinc/80/42/89/556804289.db2.gz OBFSIBQTTJEMEJ-RUZDIDTESA-N 1 0 426.561 5.335 50 0 IKAARO O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]([NH2+]C1CCCCCCC1)c1ccccc1 ZINC000003325157 556810377 /nfs/dbraw/zinc/81/03/77/556810377.db2.gz GUCFCNIKKNULPZ-NRFANRHFSA-N 1 0 438.921 6.741 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccccc3Cl)=NN12 ZINC000005477818 556815821 /nfs/dbraw/zinc/81/58/21/556815821.db2.gz JEJYEGWHAPNYEN-OAQYLSRUSA-N 1 0 425.960 5.094 50 0 IKAARO Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000033059944 556816396 /nfs/dbraw/zinc/81/63/96/556816396.db2.gz ZNDPTVULZMNPTP-UHFFFAOYSA-N 1 0 444.604 5.098 50 0 IKAARO O=C(Nc1nc2ccc(Cl)cc2s1)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000063608154 556821536 /nfs/dbraw/zinc/82/15/36/556821536.db2.gz YKGXOBABCLZVJH-UHFFFAOYSA-N 1 0 433.964 5.610 50 0 IKAARO COc1cccc(-c2nc3cc(Cl)ccc3cc2C[NH2+][C@H](C)c2cccs2)c1OC ZINC000064045189 556822515 /nfs/dbraw/zinc/82/25/15/556822515.db2.gz HJIRHJSFSAPRBI-OAHLLOKOSA-N 1 0 438.980 6.485 50 0 IKAARO CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019634651 556834418 /nfs/dbraw/zinc/83/44/18/556834418.db2.gz IMSXVDTWRPPSIK-UHFFFAOYSA-N 1 0 441.575 5.027 50 0 IKAARO CCC[NH+](CCC)CCCNC(=O)c1cc(Nc2ccc(CC)cc2)nc2ccccc21 ZINC000004669794 556864508 /nfs/dbraw/zinc/86/45/08/556864508.db2.gz DVNGIXDBEDTAMW-UHFFFAOYSA-N 1 0 432.612 5.783 50 0 IKAARO CC[N@H+](CCCC[C@]1(c2ccccc2)c2ccccc2N(N(C)C)C1=O)Cc1ccccc1 ZINC000071767308 556887449 /nfs/dbraw/zinc/88/74/49/556887449.db2.gz YFZFZPFFJRSSNM-LJAQVGFWSA-N 1 0 441.619 5.488 50 0 IKAARO CC[NH+](CC)CC[C@@]1(c2ccccc2)c2ccccc2N(N(C)Cc2cccs2)C1=O ZINC000071767370 556887456 /nfs/dbraw/zinc/88/74/56/556887456.db2.gz GVQTYFMGGKJAGY-AREMUKBSSA-N 1 0 433.621 5.160 50 0 IKAARO Cc1cccc(-c2cc(Nc3ccc(C(=O)NCCC[NH+]4CCC(C)CC4)cc3)ncn2)c1 ZINC000033261176 556898749 /nfs/dbraw/zinc/89/87/49/556898749.db2.gz WXQBLFBFIKSUJI-UHFFFAOYSA-N 1 0 443.595 5.047 50 0 IKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2cc(OC)ccc2OC)cc1 ZINC000019782348 556913824 /nfs/dbraw/zinc/91/38/24/556913824.db2.gz QJSBFADNJBPBQO-UHFFFAOYSA-N 1 0 449.547 5.076 50 0 biogenic IKAARO CCOc1ccccc1O[C@@H](CCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000019802163 556917776 /nfs/dbraw/zinc/91/77/76/556917776.db2.gz SJZMMVNKRFNDPW-SANMLTNESA-N 1 0 430.592 5.413 50 0 IKAARO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019808869 556918276 /nfs/dbraw/zinc/91/82/76/556918276.db2.gz WJZJPXVHFDBUDQ-HXUWFJFHSA-N 1 0 441.575 5.026 50 0 IKAARO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019810072 556918930 /nfs/dbraw/zinc/91/89/30/556918930.db2.gz PKQVVKDTQRNDHG-UHFFFAOYSA-N 1 0 444.884 6.169 50 0 IKAARO CC[NH+](CC)CCCNC(=O)CC(C)(C)CC(=O)NC1CCCCCCCCCCC1 ZINC000019822919 556924699 /nfs/dbraw/zinc/92/46/99/556924699.db2.gz NSJRUPDFMWUPHD-UHFFFAOYSA-N 1 0 437.713 5.430 50 0 IKAARO COc1ccc(-c2csc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000019831769 556926856 /nfs/dbraw/zinc/92/68/56/556926856.db2.gz IMAVGAQEGJRNDT-UHFFFAOYSA-N 1 0 441.600 5.730 50 0 IKAARO CCCCCOc1ccc([C@@](O)(C(C)C)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000019851255 556930825 /nfs/dbraw/zinc/93/08/25/556930825.db2.gz NMTSUZDLHHSAJZ-SXOMAYOGSA-N 1 0 425.613 5.215 50 0 IKAARO c1ccc(C(c2ccccc2)[NH+]2CCN(c3ncnc4sc5c(c43)CCC5)CC2)cc1 ZINC000019897268 556940259 /nfs/dbraw/zinc/94/02/59/556940259.db2.gz YSBQNLORHAPVFB-UHFFFAOYSA-N 1 0 426.589 5.092 50 0 IKAARO Cn1c2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1C(=O)NCC[NH+]1CCCCC1 ZINC000019894315 556940359 /nfs/dbraw/zinc/94/03/59/556940359.db2.gz GROUGTZJBZASOF-UHFFFAOYSA-N 1 0 430.379 5.368 50 0 IKAARO O=C(Nc1ccc(Br)cc1F)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020026856 556967255 /nfs/dbraw/zinc/96/72/55/556967255.db2.gz ZWZYJYVTCBVAFV-UHFFFAOYSA-N 1 0 439.328 5.399 50 0 IKAARO COc1ccc2[nH]c3c(c2c1)CC[NH+]=C3CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004728602 556976134 /nfs/dbraw/zinc/97/61/34/556976134.db2.gz WJWMOAITXKZSDD-UHFFFAOYSA-N 1 0 432.608 6.455 50 0 IKAARO CC(C)C[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033268799 556985832 /nfs/dbraw/zinc/98/58/32/556985832.db2.gz BKJMDYFQAPOHCR-UHFFFAOYSA-N 1 0 439.531 5.359 50 0 IKAARO C[C@@H](NC(=O)C1CCN(c2nc3cc(Cl)ccc3[nH]2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000033269073 556987390 /nfs/dbraw/zinc/98/73/90/556987390.db2.gz IQTGCQULLSBNJQ-SIGOSDGXSA-N 1 0 441.019 5.154 50 0 IKAARO FC(F)(F)c1cccc(-c2c[nH]nc2C2CC[NH+](Cc3cccc4c3OCO4)CC2)c1 ZINC000020206785 556998361 /nfs/dbraw/zinc/99/83/61/556998361.db2.gz FJOOREOGJGQRAA-UHFFFAOYSA-N 1 0 429.442 5.204 50 0 IKAARO COc1ccc(C[NH2+]Cc2cccc(OC)c2OCc2ccc(Cl)cc2Cl)cc1 ZINC000020248751 557003460 /nfs/dbraw/zinc/00/34/60/557003460.db2.gz ROAZWHAIHJBCRD-UHFFFAOYSA-N 1 0 432.347 5.879 50 0 IKAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)c(C)o2)c(OC)c1C ZINC000020351467 557009113 /nfs/dbraw/zinc/00/91/13/557009113.db2.gz CUUYCJIZUVBXMH-GOSISDBHSA-N 1 0 447.535 5.496 50 0 IKAARO Cc1ccc2c(C[NH+]3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)cc(=O)oc2c1 ZINC000020353103 557009518 /nfs/dbraw/zinc/00/95/18/557009518.db2.gz GHEFLDPCDGYUKM-UHFFFAOYSA-N 1 0 439.555 5.250 50 0 IKAARO Cc1ccc2ccccc2c1C[NH+]1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000020439817 557016960 /nfs/dbraw/zinc/01/69/60/557016960.db2.gz QDXRKLSFXDUHBW-UHFFFAOYSA-N 1 0 428.605 5.354 50 0 IKAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055685 557027262 /nfs/dbraw/zinc/02/72/62/557027262.db2.gz BVEZEEDTQLRNPP-IBGZPJMESA-N 1 0 438.015 5.470 50 0 IKAARO CCCCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055746 557027758 /nfs/dbraw/zinc/02/77/58/557027758.db2.gz OXJKTFGQMQYMBQ-UHFFFAOYSA-N 1 0 438.015 5.471 50 0 IKAARO C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CC[NH+]1CCCCC1 ZINC000017195758 557036542 /nfs/dbraw/zinc/03/65/42/557036542.db2.gz FKAJEUFWOXAABF-OKDJJFIVSA-N 1 0 429.645 5.386 50 0 IKAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000048286838 557053021 /nfs/dbraw/zinc/05/30/21/557053021.db2.gz AKQDKRQQYNFANV-LJQANCHMSA-N 1 0 426.517 5.033 50 0 IKAARO C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Br)cc1 ZINC000017315059 557053091 /nfs/dbraw/zinc/05/30/91/557053091.db2.gz NAZIUVMMNIGKJD-SFHVURJKSA-N 1 0 447.380 5.607 50 0 IKAARO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000017314971 557053094 /nfs/dbraw/zinc/05/30/94/557053094.db2.gz JNKJUTUSUVTHDC-AWEZNQCLSA-N 1 0 433.766 6.750 50 0 IKAARO Cc1csc([C@H](C)N(C)C(=O)c2cccc(OC3CC[NH+](C4CCCC4)CC3)c2)n1 ZINC000023159453 557070119 /nfs/dbraw/zinc/07/01/19/557070119.db2.gz MPYQIXSFAVZLDX-SFHVURJKSA-N 1 0 427.614 5.071 50 0 IKAARO O[C@H](c1cccs1)C1CC[NH+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000023159376 557070142 /nfs/dbraw/zinc/07/01/42/557070142.db2.gz SAHSJPSXHNGDMA-SANMLTNESA-N 1 0 429.589 5.751 50 0 IKAARO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccccc3SCc3cccs3)c2)CC1 ZINC000048343418 557071312 /nfs/dbraw/zinc/07/13/12/557071312.db2.gz XYECBARWLUTIGW-UHFFFAOYSA-N 1 0 437.634 5.040 50 0 IKAARO COc1ccc2[nH]c(C[NH2+]Cc3cn(-c4cccc(F)c4)nc3-c3ccc(C)o3)cc2c1 ZINC000023232091 557075491 /nfs/dbraw/zinc/07/54/91/557075491.db2.gz SCKSIPFPCOLBSB-UHFFFAOYSA-N 1 0 430.483 5.360 50 0 IKAARO COc1ccc2ccccc2c1-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1 ZINC000086029408 557106081 /nfs/dbraw/zinc/10/60/81/557106081.db2.gz JOSMCDDTSORSFI-UHFFFAOYSA-N 1 0 430.572 8.288 50 0 IKAARO O=C(NCc1cccs1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000049535955 557110252 /nfs/dbraw/zinc/11/02/52/557110252.db2.gz AAXYWADZOIYSQX-UHFFFAOYSA-N 1 0 443.616 5.280 50 0 IKAARO COc1cc(C)c(C[NH2+]C[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)cc1C ZINC000229776128 557124514 /nfs/dbraw/zinc/12/45/14/557124514.db2.gz VMJLCNHZCSRTJT-DTXPUJKBSA-N 1 0 433.680 7.236 50 0 IKAARO C[C@H]([NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000005662442 557136171 /nfs/dbraw/zinc/13/61/71/557136171.db2.gz GCRHWPGUIYJISV-BPOJBYEUSA-N 1 0 425.616 7.113 50 0 IKAARO Clc1ccccc1-c1nnc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000023290509 557155027 /nfs/dbraw/zinc/15/50/27/557155027.db2.gz JFGSXRDJDJLHJL-UHFFFAOYSA-N 1 0 444.966 5.297 50 0 IKAARO O[C@]1(C(F)(F)F)C2=C(CC[C@H](c3ccccc3)C2)[NH2+]N1c1nc(-c2ccccc2)cs1 ZINC000016957512 557158766 /nfs/dbraw/zinc/15/87/66/557158766.db2.gz YEJCZMYYHNDOTN-SVMVAKDDSA-N 1 0 443.494 5.821 50 0 IKAARO Cc1ccc(CNC(=O)N2CCC[C@]3(CC[N@H+](Cc4ccc(Cl)c(Cl)c4)C3)C2)cc1 ZINC000210920309 557174022 /nfs/dbraw/zinc/17/40/22/557174022.db2.gz YFDASBFQKMHSSJ-XMMPIXPASA-N 1 0 446.422 5.500 50 0 in-vitro IKAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000000785865 557185798 /nfs/dbraw/zinc/18/57/98/557185798.db2.gz GWYRCAQGGDWYDK-UHFFFAOYSA-N 1 0 428.576 5.136 50 0 IKAARO Cc1nc2sc3c(c2c(N2CC[NH+](C(c4ccccc4)c4ccccc4)CC2)n1)CCC3 ZINC000025387663 557206866 /nfs/dbraw/zinc/20/68/66/557206866.db2.gz BCLQHPBJVUCGOI-UHFFFAOYSA-N 1 0 440.616 5.400 50 0 IKAARO Fc1ccc(C[NH+]2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)cc1C(F)(F)F ZINC000023311034 557211865 /nfs/dbraw/zinc/21/18/65/557211865.db2.gz SPSLKTUNLFVEOL-UHFFFAOYSA-N 1 0 427.485 6.966 50 0 IKAARO FC(F)(F)c1cccc(-c2cc(-c3ccc(Br)cc3)[n+]3n2CCCCC3)c1 ZINC000025576002 557215720 /nfs/dbraw/zinc/21/57/20/557215720.db2.gz PGDHUSVXQPGDBF-UHFFFAOYSA-N 1 0 436.295 6.075 50 0 IKAARO CCOc1cc([C@@H]2[NH2+]C[C@H](c3ccccc3)c3c4ccccc4[nH]c32)ccc1OCC(C)C ZINC000025719470 557223295 /nfs/dbraw/zinc/22/32/95/557223295.db2.gz OTJQJEUYFTUZQO-LXFBAYGMSA-N 1 0 440.587 6.426 50 0 IKAARO CCOc1cc([C@H]2[NH2+]C[C@H](c3ccccc3)c3c4ccccc4[nH]c32)ccc1OCC(C)C ZINC000025719475 557223355 /nfs/dbraw/zinc/22/33/55/557223355.db2.gz OTJQJEUYFTUZQO-QDPGVEIFSA-N 1 0 440.587 6.426 50 0 IKAARO C[C@@H]([NH3+])[C@H](c1ccccc1)P1Cc2ccc3ccccc3c2-c2c(ccc3ccccc32)C1 ZINC000098072764 557233068 /nfs/dbraw/zinc/23/30/68/557233068.db2.gz BHRXRWRXVSJNML-ROTAYESASA-N 1 0 445.546 8.244 50 0 IKAARO COc1ccc([C@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)[NH+]2CCCCCC2)cc1 ZINC000027583210 557266395 /nfs/dbraw/zinc/26/63/95/557266395.db2.gz MDHBJZCFSYVYRK-QHCPKHFHSA-N 1 0 434.580 5.714 50 0 IKAARO O=C(Cc1csc(-c2ccccc2Cl)n1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027605669 557267541 /nfs/dbraw/zinc/26/75/41/557267541.db2.gz OSMCAJZOMIFZJT-GOSISDBHSA-N 1 0 432.014 5.021 50 0 IKAARO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]([NH2+]CC(C)C)c1ccccc1 ZINC000013121548 557296528 /nfs/dbraw/zinc/29/65/28/557296528.db2.gz RNLSOQASAFAKQL-JOCHJYFZSA-N 1 0 436.577 5.517 50 0 IKAARO CC(C)C[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033069035 557323731 /nfs/dbraw/zinc/32/37/31/557323731.db2.gz RMLGJBPLVNFNBP-UHFFFAOYSA-N 1 0 445.632 6.205 50 0 IKAARO C[N@@H+]1CCC[C@H]1CCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023329329 557339031 /nfs/dbraw/zinc/33/90/31/557339031.db2.gz JPOIPNLXNVALCT-SFHVURJKSA-N 1 0 443.378 5.265 50 0 IKAARO COc1ccc(-c2cccc(-c3nc(C[NH+]4CCC(C)CC4)cs3)c2)c(OC)c1OC ZINC000023442369 557358328 /nfs/dbraw/zinc/35/83/28/557358328.db2.gz GUMBIGJHFSYRKE-UHFFFAOYSA-N 1 0 438.593 5.735 50 0 IKAARO Cc1nc(CSc2ccccc2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000023613014 557368715 /nfs/dbraw/zinc/36/87/15/557368715.db2.gz UIFOQCVXCRMRCE-UHFFFAOYSA-N 1 0 437.634 5.138 50 0 IKAARO CC(C)[C@@H]1CC(CC[NH2+]Cc2ccc(Cl)cc2)(c2ccc(F)cc2)C[C@@H](C(C)C)O1 ZINC000524734584 557370778 /nfs/dbraw/zinc/37/07/78/557370778.db2.gz SKECJCACEUTHME-DQEYMECFSA-N 1 0 432.023 6.756 50 0 IKAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@H](C)C4=C[C@H]23)CC1 ZINC000247882601 557389345 /nfs/dbraw/zinc/38/93/45/557389345.db2.gz RSUMDFBTCAAZNY-RXJWLBRNSA-N 1 0 443.031 5.085 50 0 IKAARO COc1ccc([C@@H](OC(=O)c2ccccc2)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004907678 557403364 /nfs/dbraw/zinc/40/33/64/557403364.db2.gz QMRXCZLRIJZFBK-KAYWLYCHSA-N 1 0 429.560 5.863 50 0 IKAARO CC[NH+](CC)CCCN1C(=S)N=NC1c1ccc(COc2ccc(C(C)(C)C)cc2)o1 ZINC000033580373 557414242 /nfs/dbraw/zinc/41/42/42/557414242.db2.gz RUZSSIHEZPHIRQ-UHFFFAOYSA-N 1 0 442.629 5.435 50 0 IKAARO O=C(c1ccc(Cl)cc1)[C@@H]1C[N@H+](C2CCCCC2)CC[C@@]1(O)c1ccc(Cl)cc1 ZINC000103035116 557416385 /nfs/dbraw/zinc/41/63/85/557416385.db2.gz CPVHOEXRGVOAQJ-LADGPHEKSA-N 1 0 432.391 5.719 50 0 IKAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000104052477 557449486 /nfs/dbraw/zinc/44/94/86/557449486.db2.gz ZLWQGNABQLEYHG-SHQCIBLASA-N 1 0 448.570 5.296 50 0 IKAARO Cc1ccc(C[N@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)o1 ZINC000105042173 557473482 /nfs/dbraw/zinc/47/34/82/557473482.db2.gz SFWPBGNZGFMNNH-SHQCIBLASA-N 1 0 448.582 5.741 50 0 IKAARO Cc1cccc([C@@H]2C[C@@H](C(=O)N[C@H](C)c3ccccc3)C[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000105044940 557474304 /nfs/dbraw/zinc/47/43/04/557474304.db2.gz ZJSKDGOQOFWAHE-LPPUWEFUSA-N 1 0 430.567 5.617 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000051329990 557497469 /nfs/dbraw/zinc/49/74/69/557497469.db2.gz LGKRFJCIXFSLEJ-AREMUKBSSA-N 1 0 425.576 5.894 50 0 IKAARO CC[NH+](CC)CCCNc1ncnc2c1[C@@H](c1ccccc1Cl)c1ccc(O)cc1O2 ZINC000044928717 557541080 /nfs/dbraw/zinc/54/10/80/557541080.db2.gz XDFMMYHPRBJNHX-NRFANRHFSA-N 1 0 438.959 5.265 50 0 IKAARO CC[NH+](CC)CCNc1ncnc2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c21 ZINC000044928690 557541085 /nfs/dbraw/zinc/54/10/85/557541085.db2.gz DSHWTEIYZICLBG-UHFFFAOYSA-N 1 0 446.551 5.328 50 0 IKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1sc2c(cnc3ccc(OC)cc23)c1-c1ccccc1 ZINC000045944027 557552852 /nfs/dbraw/zinc/55/28/52/557552852.db2.gz HNPZYMYGHMVEIX-SFHVURJKSA-N 1 0 445.588 5.339 50 0 IKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc2c(cnc3ccc(OC)cc23)c1-c1ccccc1 ZINC000045944025 557552894 /nfs/dbraw/zinc/55/28/94/557552894.db2.gz HNPZYMYGHMVEIX-GOSISDBHSA-N 1 0 445.588 5.339 50 0 IKAARO Cc1cc([C@@H](c2ccccc2Cl)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546236 557591289 /nfs/dbraw/zinc/59/12/89/557591289.db2.gz UWISPPVHTFWTCL-OAQYLSRUSA-N 1 0 428.985 6.377 50 0 IKAARO CC[n+]1c(/C=C/C=C2C=Cc3c(C)n(-c4ccccc4)c(C)c3C=C2)ccc2ccccc21 ZINC000685944229 557839042 /nfs/dbraw/zinc/83/90/42/557839042.db2.gz FEENDLKPDUZROO-UHFFFAOYSA-N 1 0 429.587 7.235 50 0 IKAARO COc1ccc([C@@H](C)[NH2+]CC[C@H](c2ccc(OC(C)C)cc2)c2ccccc2OC)cc1 ZINC000001820228 562924761 /nfs/dbraw/zinc/92/47/61/562924761.db2.gz HJQQHUQIDZOELS-QFQXNSOFSA-N 1 0 433.592 6.364 50 0 biogenic IKAARO CC(C)CC[C@](O)(c1ccc(Br)cc1)[C@@H](C[NH2+]CCCCO)c1ccccc1 ZINC000002907790 562930440 /nfs/dbraw/zinc/93/04/40/562930440.db2.gz VTQWHGAEPRCKIC-ZEQRLZLVSA-N 1 0 448.445 5.219 50 0 IKAARO CCC[NH+](CCC)CCNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000003039981 562932094 /nfs/dbraw/zinc/93/20/94/562932094.db2.gz VXODIYNZPQYXNU-UHFFFAOYSA-N 1 0 442.028 5.891 50 0 IKAARO c1ccc(-c2ccc(-c3n(-c4ccccn4)c4ccccc4[n+]3-c3ccccn3)cc2)cc1 ZINC000006190411 562946492 /nfs/dbraw/zinc/94/64/92/562946492.db2.gz WHEVYUMSQZQMPM-UHFFFAOYSA-N 1 0 425.515 6.031 50 0 IKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000008587629 562950415 /nfs/dbraw/zinc/95/04/15/562950415.db2.gz UTGAZEBKEMOYDD-QGZVFWFLSA-N 1 0 442.028 5.967 50 0 aggregator IKAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(Br)s3)sc2c1 ZINC000008590887 562951886 /nfs/dbraw/zinc/95/18/86/562951886.db2.gz DEUQYVNLSFSZKP-UHFFFAOYSA-N 1 0 438.416 5.027 50 0 IKAARO Cc1ccc(C[NH+]2CCC(CNc3ncnc4onc(-c5ccc(Cl)cc5)c43)CC2)cc1 ZINC000008595488 562953439 /nfs/dbraw/zinc/95/34/39/562953439.db2.gz OJBJNAAFLDHXRT-UHFFFAOYSA-N 1 0 447.970 5.571 50 0 IKAARO Cc1ccc(C)c(Nc2cc(C(=O)NCCC[N@@H+](C)C3CCCCC3)c3ccccc3n2)c1 ZINC000008595388 562953474 /nfs/dbraw/zinc/95/34/74/562953474.db2.gz CNLAUYLJPDMWGZ-UHFFFAOYSA-N 1 0 444.623 5.980 50 0 IKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000008597677 562954022 /nfs/dbraw/zinc/95/40/22/562954022.db2.gz VWIXYWVYVQFAJI-QGZVFWFLSA-N 1 0 437.971 5.393 50 0 IKAARO COc1ccc([C@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)[NH+]2CCCCC2)cc1 ZINC000008613377 562959393 /nfs/dbraw/zinc/95/93/93/562959393.db2.gz XQQHRBRVBRMJES-QFIPXVFZSA-N 1 0 440.971 5.669 50 0 IKAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3sc4ccccc4c3Cl)sc2c1 ZINC000008683817 562962020 /nfs/dbraw/zinc/96/20/20/562962020.db2.gz NUDBUQXZPYOHDI-UHFFFAOYSA-N 1 0 444.025 6.071 50 0 IKAARO Clc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717700 562963774 /nfs/dbraw/zinc/96/37/74/562963774.db2.gz RAQSTIMHJILCDJ-RUZDIDTESA-N 1 0 443.978 5.876 50 0 IKAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3Cl)=NN12 ZINC000008837187 562965183 /nfs/dbraw/zinc/96/51/83/562965183.db2.gz HPWJZRONDPQFTE-IBGZPJMESA-N 1 0 446.776 5.068 50 0 IKAARO COc1ccc2nc(N(CCC[NH+](C)C)C(=O)CCCSc3ccccc3)sc2c1 ZINC000009472809 562971753 /nfs/dbraw/zinc/97/17/53/562971753.db2.gz BJOLICCLTAKXIV-UHFFFAOYSA-N 1 0 443.638 5.162 50 0 IKAARO Cc1ccc(-n2ncc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2C2CC[NH2+]CC2)cc1C ZINC000009639496 562974641 /nfs/dbraw/zinc/97/46/41/562974641.db2.gz MGUJPZRFDGAOQG-UHFFFAOYSA-N 1 0 443.378 5.515 50 0 IKAARO O=C(Nc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009834644 562977315 /nfs/dbraw/zinc/97/73/15/562977315.db2.gz LHGAFTCJNAAMRS-AREMUKBSSA-N 1 0 428.532 5.050 50 0 IKAARO COc1ccc([C@H](CNC(=O)c2ccc(-c3nc4ccccc4s3)o2)[NH+]2CCCC2)cc1 ZINC000009950235 562977765 /nfs/dbraw/zinc/97/77/65/562977765.db2.gz UPXVEJJJODSONG-FQEVSTJZSA-N 1 0 447.560 5.132 50 0 IKAARO Cc1nc2cc(NC(=O)[C@H]3CC34CC[NH+](Cc3ccc(O)c(Cl)c3)CC4)ccc2s1 ZINC000011782732 562979120 /nfs/dbraw/zinc/97/91/20/562979120.db2.gz KDSKKFPBFBSYSI-QGZVFWFLSA-N 1 0 441.984 5.205 50 0 IKAARO CCCn1ncc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1C ZINC000011839459 562979551 /nfs/dbraw/zinc/97/95/51/562979551.db2.gz HILYPTQJNFXLCJ-UHFFFAOYSA-N 1 0 434.559 5.258 50 0 IKAARO O[C@@H](C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1)c1ccccc1 ZINC000104982979 568623961 /nfs/dbraw/zinc/62/39/61/568623961.db2.gz IFAYMVSPTMFJPH-BWKNWUBXSA-N 1 0 438.930 5.208 50 0 IKAARO CN(Cc1ccccc1Cl)N1c2ccccc2[C@@](CCC[NH+](C)C)(c2ccccc2)C1=O ZINC000002010153 568742424 /nfs/dbraw/zinc/74/24/24/568742424.db2.gz VFIRCPLYLNAYJS-HHHXNRCGSA-N 1 0 448.010 5.362 50 0 IKAARO CCOc1ccc(C[NH2+]CC[C@@]2(c3ccc(C)cc3)CCO[C@@H](C(C)C)C2)cc1OC ZINC000004073147 568760381 /nfs/dbraw/zinc/76/03/81/568760381.db2.gz CJHMCYLLXMOHLY-KAYWLYCHSA-N 1 0 425.613 5.655 50 0 biogenic IKAARO CCc1cc([C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000001298673 568778800 /nfs/dbraw/zinc/77/88/00/568778800.db2.gz QSXNDEJXZMLTSO-DEOSSOPVSA-N 1 0 434.605 6.147 50 0 IKAARO COc1ccc(CC[C@@H]2[NH2+]CC3(CCCCC3)c3cc(OC)c(OC)cc32)cc1OC ZINC000001321260 568780070 /nfs/dbraw/zinc/78/00/70/568780070.db2.gz LYIIGTRGFXZVSE-NRFANRHFSA-N 1 0 425.569 5.200 50 0 biogenic IKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cn(Cc4ccccc4)c4ccccc24)N3)C1 ZINC000004124950 568780824 /nfs/dbraw/zinc/78/08/24/568780824.db2.gz YEDHIURUHGJSEK-DEOSSOPVSA-N 1 0 442.588 5.558 50 0 IKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC)c(COc2ccc(F)cc2)c1 ZINC000032109691 568781464 /nfs/dbraw/zinc/78/14/64/568781464.db2.gz CYXJCTZIOLZPCY-RUZDIDTESA-N 1 0 432.495 5.138 50 0 biogenic IKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000015678366 568804825 /nfs/dbraw/zinc/80/48/25/568804825.db2.gz YNWKXNCFPZKBBO-XMMPIXPASA-N 1 0 449.614 5.532 50 0 IKAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000015679772 568805705 /nfs/dbraw/zinc/80/57/05/568805705.db2.gz CDJBTZHRSREPFL-UHFFFAOYSA-N 1 0 436.419 5.337 50 0 IKAARO C[C@@H](c1cc(-c2ccccc2)n[nH]1)[N@H+](C)[C@H]1CCC(=O)N(Cc2ccccc2Cl)CC1 ZINC000012244915 568819847 /nfs/dbraw/zinc/81/98/47/568819847.db2.gz QZPVXHSWRFPXNM-RXVVDRJESA-N 1 0 436.987 5.304 50 0 IKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000015785131 568829937 /nfs/dbraw/zinc/82/99/37/568829937.db2.gz NYFMVAFMQUAQLA-UHFFFAOYSA-N 1 0 429.495 5.028 50 0 IKAARO C[C@@H](CCc1ccc(-c2ccccc2)cc1)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045068898 568843333 /nfs/dbraw/zinc/84/33/33/568843333.db2.gz BHFSROXRTYADKB-QHCPKHFHSA-N 1 0 433.039 6.394 50 0 IKAARO O=S1(=O)[C@H](c2ccccc2)[C@H]([NH+]2CCCC2)[C@@]12CC1c3ccccc3C2c2ccccc21 ZINC000216558782 568844652 /nfs/dbraw/zinc/84/46/52/568844652.db2.gz HKJGZFOWOOIWTJ-LWSABFSZSA-N 1 0 441.596 5.040 50 0 IKAARO O=S1(=O)[C@H](c2ccccc2)[C@@H]([NH+]2CCCC2)[C@@]12CC1c3ccccc3C2c2ccccc21 ZINC000216558685 568844666 /nfs/dbraw/zinc/84/46/66/568844666.db2.gz HKJGZFOWOOIWTJ-ZKNIHVCOSA-N 1 0 441.596 5.040 50 0 IKAARO COc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)cc1 ZINC000015859308 568847149 /nfs/dbraw/zinc/84/71/49/568847149.db2.gz VICURVRTNFROQU-VWLOTQADSA-N 1 0 444.531 6.108 50 0 IKAARO O=C(Nc1c2ccccc2oc1[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1ccccc1 ZINC000015859479 568847570 /nfs/dbraw/zinc/84/75/70/568847570.db2.gz MNMVVYGBAPMQAS-RUZDIDTESA-N 1 0 444.962 6.914 50 0 IKAARO CC1CC[NH+]([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2cccc(F)c2)CC1 ZINC000015859520 568847726 /nfs/dbraw/zinc/84/77/26/568847726.db2.gz FUJHBMODLPMDIT-AREMUKBSSA-N 1 0 442.534 6.646 50 0 IKAARO Clc1ccc(-c2nnc([C@@H](c3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)o2)cc1 ZINC000015864524 568850125 /nfs/dbraw/zinc/85/01/25/568850125.db2.gz BUTFMXJZJAQQQP-RUZDIDTESA-N 1 0 443.978 6.434 50 0 IKAARO CCc1c(C)sc2c1CC[N@H+](Cc1cccc(Br)c1)[C@@H]2c1ccccc1 ZINC000015864905 568850313 /nfs/dbraw/zinc/85/03/13/568850313.db2.gz HSHRTZSJGUFDJW-JOCHJYFZSA-N 1 0 426.423 6.529 50 0 IKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3cccc(C)c3)oc1C)[C@H]2c1ccccc1 ZINC000015864864 568850363 /nfs/dbraw/zinc/85/03/63/568850363.db2.gz NSRSCNOXAQWSQX-SANMLTNESA-N 1 0 442.628 7.038 50 0 IKAARO O=C(C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1)N1CCCCCC1 ZINC000015865823 568850472 /nfs/dbraw/zinc/85/04/72/568850472.db2.gz JUHNIKYQTLLKPK-UHFFFAOYSA-N 1 0 429.608 5.304 50 0 IKAARO CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)COc3ccc(C)cc3)ccc21 ZINC000026121563 568852464 /nfs/dbraw/zinc/85/24/64/568852464.db2.gz KZFRNRVDGUZEQW-UHFFFAOYSA-N 1 0 434.584 5.004 50 0 IKAARO Cc1cc(C)c(-n2nnnc2[C@@H]([NH2+]CCc2c[nH]c3ccccc23)[C@H]2CC=CCC2)c(C)c1 ZINC000575443627 568869639 /nfs/dbraw/zinc/86/96/39/568869639.db2.gz FCBYSFGHHOOPAD-OFVILXPXSA-N 1 0 440.595 5.299 50 0 IKAARO CCCCC[NH+](CCCCC)C[C@H](C)NC(=S)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000006389326 568893598 /nfs/dbraw/zinc/89/35/98/568893598.db2.gz MLJIJTFBWHAZED-IBGZPJMESA-N 1 0 431.646 5.459 50 0 IKAARO C[N@H+](Cc1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1)C1CCCCC1 ZINC000012984991 568895438 /nfs/dbraw/zinc/89/54/38/568895438.db2.gz BTVGXADLDLPVHW-UHFFFAOYSA-N 1 0 431.536 5.549 50 0 IKAARO CC[NH+](CC)CC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)c1ccccc1CC2 ZINC000001789572 568907852 /nfs/dbraw/zinc/90/78/52/568907852.db2.gz MPOQHBWXXVHLJX-UHFFFAOYSA-N 1 0 427.548 5.044 50 0 IKAARO COc1ccccc1[C@@H](CC[NH2+]Cc1ccc(OC(C)C)cc1)c1ccc(OC(C)C)cc1 ZINC000001820604 568915724 /nfs/dbraw/zinc/91/57/24/568915724.db2.gz SUVGWYORIDFDCX-MHZLTWQESA-N 1 0 447.619 6.581 50 0 biogenic IKAARO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCc1nc2ccccc2n1C(C)C ZINC000089520831 568929871 /nfs/dbraw/zinc/92/98/71/568929871.db2.gz KIFQYRMLAQQSAG-UHFFFAOYSA-N 1 0 436.003 5.465 50 0 IKAARO Cc1nn2c(nc(C(C)(C)C)cc2N2CC[NH+](Cc3ccccc3)CC2)c1-c1ccccc1 ZINC000054274599 568930779 /nfs/dbraw/zinc/93/07/79/568930779.db2.gz XZFZEAHIMUTUJG-UHFFFAOYSA-N 1 0 439.607 5.324 50 0 IKAARO CCc1ccc(-c2c3cnc4ccc(F)cc4c3sc2C(=O)NCC[NH+]2CCCC2)cc1 ZINC000064588561 568934735 /nfs/dbraw/zinc/93/47/35/568934735.db2.gz HLIOKVJBPQCGBR-UHFFFAOYSA-N 1 0 447.579 5.644 50 0 IKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21 ZINC000064657757 568942394 /nfs/dbraw/zinc/94/23/94/568942394.db2.gz JQQZIMMGJFFVMD-KRWDZBQOSA-N 1 0 430.017 5.404 50 0 IKAARO Cc1ccc(-c2csc(-c3cccn3CC(=O)N3CC[NH+](C4CCCCC4)CC3)n2)cc1 ZINC000064677205 568943985 /nfs/dbraw/zinc/94/39/85/568943985.db2.gz UPGOYLMVFPGTNV-UHFFFAOYSA-N 1 0 448.636 5.064 50 0 IKAARO CC(C)C(=O)N(CC[NH+]1CCCCC1)Cc1csc(COc2ccccc2C(C)C)n1 ZINC000036116609 568955788 /nfs/dbraw/zinc/95/57/88/568955788.db2.gz GRGSEHUGTYLXCB-UHFFFAOYSA-N 1 0 443.657 5.316 50 0 IKAARO COCCC[N@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1cccs1 ZINC000036154650 568964678 /nfs/dbraw/zinc/96/46/78/568964678.db2.gz AQCLCXDBVQZBJE-UHFFFAOYSA-N 1 0 447.600 5.664 50 0 IKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2CN(CC(C)C)C(C)=O)c1 ZINC000169679931 568990412 /nfs/dbraw/zinc/99/04/12/568990412.db2.gz GIXYHFPBYHIBKI-RDGATRHJSA-N 1 0 429.004 5.069 50 0 IKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(C(=O)c3ccccc3)C(C)C)[C@@H](c3ccc(C)cc3)C2)o1 ZINC000169679887 568991286 /nfs/dbraw/zinc/99/12/86/568991286.db2.gz IPEOCWLBZFFVSE-AHKZPQOWSA-N 1 0 430.592 5.663 50 0 IKAARO CCC[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C[C@H](C)O ZINC000036301673 568993429 /nfs/dbraw/zinc/99/34/29/568993429.db2.gz LAYLNUJEASYTKY-KRWDZBQOSA-N 1 0 443.975 5.228 50 0 IKAARO CCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036302001 568993956 /nfs/dbraw/zinc/99/39/56/568993956.db2.gz PNPMLHAYTMXKOW-JOCHJYFZSA-N 1 0 437.584 5.353 50 0 IKAARO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](CC(C)C)C[C@@H](C)O ZINC000036301738 568994063 /nfs/dbraw/zinc/99/40/63/568994063.db2.gz AYOKWNUILLCMKY-GOSISDBHSA-N 1 0 427.976 5.465 50 0 IKAARO CCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036301998 568994124 /nfs/dbraw/zinc/99/41/24/568994124.db2.gz PNPMLHAYTMXKOW-QFIPXVFZSA-N 1 0 437.584 5.353 50 0 IKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)CC ZINC000036304182 568994555 /nfs/dbraw/zinc/99/45/55/568994555.db2.gz JPOVKFKKZLXQQJ-FQEVSTJZSA-N 1 0 429.511 5.234 50 0 IKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)CC ZINC000036304179 568994572 /nfs/dbraw/zinc/99/45/72/568994572.db2.gz JPOVKFKKZLXQQJ-HXUWFJFHSA-N 1 0 429.511 5.234 50 0 IKAARO CCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036304616 568994813 /nfs/dbraw/zinc/99/48/13/568994813.db2.gz CFMWBCFZEFKIPH-QHCPKHFHSA-N 1 0 449.595 5.355 50 0 IKAARO CCC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036305122 568994912 /nfs/dbraw/zinc/99/49/12/568994912.db2.gz MKIMOVFFRNCJCS-OAQYLSRUSA-N 1 0 439.987 5.658 50 0 IKAARO CC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305042 568994991 /nfs/dbraw/zinc/99/49/91/568994991.db2.gz DWQWFVGXAHDWLE-HXUWFJFHSA-N 1 0 439.987 5.516 50 0 IKAARO CCC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036306246 568995373 /nfs/dbraw/zinc/99/53/73/568995373.db2.gz QKSFCSIAEGGXNL-OAQYLSRUSA-N 1 0 437.584 5.261 50 0 IKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)CC ZINC000036316426 568999781 /nfs/dbraw/zinc/99/97/81/568999781.db2.gz NTJMFUNPHZGUON-OAQYLSRUSA-N 1 0 437.584 5.219 50 0 IKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](CC(C)C)C[C@H](C)O ZINC000036316457 568999897 /nfs/dbraw/zinc/99/98/97/568999897.db2.gz IFWLKBGIXGIKNV-IBGZPJMESA-N 1 0 425.548 5.205 50 0 IKAARO CCCCCC[C@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCCCCC1)c1ccccc1 ZINC000006811639 569000634 /nfs/dbraw/zinc/00/06/34/569000634.db2.gz CQLDWKCIBVFSBB-VMPREFPWSA-N 1 0 437.668 6.903 50 0 IKAARO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)CC(C)C ZINC000036341945 569079665 /nfs/dbraw/zinc/07/96/65/569079665.db2.gz YYOQSUYPECHQKI-JOCHJYFZSA-N 1 0 442.003 5.855 50 0 IKAARO CCOc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)C[N@H+](C)C2CCCCC2)cc1 ZINC000036344168 569080015 /nfs/dbraw/zinc/08/00/15/569080015.db2.gz HATRIGRXRWXCQJ-VWLOTQADSA-N 1 0 449.595 5.036 50 0 IKAARO CCOc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000036344017 569080042 /nfs/dbraw/zinc/08/00/42/569080042.db2.gz YMHUCDLNGURWQE-XMMPIXPASA-N 1 0 439.987 5.148 50 0 IKAARO CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2C(=O)C[N@H+](C)C2CCCCC2)cc1 ZINC000036344038 569080121 /nfs/dbraw/zinc/08/01/21/569080121.db2.gz FGCGLJYAVFQICN-SANMLTNESA-N 1 0 449.595 5.036 50 0 IKAARO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346284 569081040 /nfs/dbraw/zinc/08/10/40/569081040.db2.gz ZQGKRMBBWKNPNY-HSZRJFAPSA-N 1 0 439.575 5.874 50 0 IKAARO CCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346217 569081150 /nfs/dbraw/zinc/08/11/50/569081150.db2.gz CQFPJYLGLUTQFX-QHCPKHFHSA-N 1 0 439.575 5.731 50 0 IKAARO CCC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346374 569081162 /nfs/dbraw/zinc/08/11/62/569081162.db2.gz OZNZNXHBYYQKNB-QFIPXVFZSA-N 1 0 425.548 5.485 50 0 IKAARO CCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346421 569081241 /nfs/dbraw/zinc/08/12/41/569081241.db2.gz URYJXRSUUCKHEY-QHCPKHFHSA-N 1 0 437.559 5.485 50 0 IKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)CC ZINC000036346754 569081297 /nfs/dbraw/zinc/08/12/97/569081297.db2.gz FMNWOGPFRLXQRH-NRFANRHFSA-N 1 0 429.511 5.234 50 0 IKAARO CCOc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347886 569081659 /nfs/dbraw/zinc/08/16/59/569081659.db2.gz ODCXNTASJADNBN-GDLZYMKVSA-N 1 0 438.571 6.674 50 0 IKAARO Cc1ccc(Cn2cc(CCC(=O)NCCC[N@H+]3CCCC[C@H]3C)c3ccccc32)cc1 ZINC000006858139 569091079 /nfs/dbraw/zinc/09/10/79/569091079.db2.gz LAIOKXNUSPSULS-HSZRJFAPSA-N 1 0 431.624 5.311 50 0 IKAARO Cn1cc(C[NH+]2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)c2cc(Cl)ccc21 ZINC000065060084 569095761 /nfs/dbraw/zinc/09/57/61/569095761.db2.gz PJJCDOFGDDHXMH-XMMPIXPASA-N 1 0 435.999 5.238 50 0 IKAARO CC(C)[C@@H](NC(=O)C1CC[NH+](Cc2cn(C)c3ccc(Cl)cc23)CC1)c1cccs1 ZINC000065060080 569095858 /nfs/dbraw/zinc/09/58/58/569095858.db2.gz ZAAWFRXVOOPXHA-HSZRJFAPSA-N 1 0 444.044 5.619 50 0 IKAARO CCn1c(C)c(C[NH+]2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)c2ccccc21 ZINC000065060131 569095868 /nfs/dbraw/zinc/09/58/68/569095868.db2.gz GNAJQPSCCIIMOM-AREMUKBSSA-N 1 0 429.608 5.375 50 0 IKAARO CCn1c(C)c(C[NH+]2CCC(C(=O)NCc3ccc(SC)cc3)CC2)c2ccccc21 ZINC000065060137 569095893 /nfs/dbraw/zinc/09/58/93/569095893.db2.gz YAZLARNEVYXYND-UHFFFAOYSA-N 1 0 435.637 5.220 50 0 IKAARO CC(C)CC[C@H](NC(=O)NC1CCCC1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000006877438 569095981 /nfs/dbraw/zinc/09/59/81/569095981.db2.gz HKXRXIICZVWCRC-FQEVSTJZSA-N 1 0 428.646 5.246 50 0 IKAARO Cc1ccc(CN(C(=O)Nc2cc(C)cc(C)c2)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000006877653 569096182 /nfs/dbraw/zinc/09/61/82/569096182.db2.gz PBFGIMREHHPHFY-UHFFFAOYSA-N 1 0 431.580 5.904 50 0 IKAARO Cc1ccc(-c2nc(-c3ccc(C(=O)NCCC[N@@H+](C)C4CCCCC4)s3)no2)cc1 ZINC000065062965 569097696 /nfs/dbraw/zinc/09/76/96/569097696.db2.gz QTRAJWAHNNHFDF-UHFFFAOYSA-N 1 0 438.597 5.158 50 0 IKAARO Cc1ccc(-c2nc(-c3ccc(C(=O)NCC[C@@H](C)[NH+]4CCCCCC4)s3)no2)cc1 ZINC000065062978 569097796 /nfs/dbraw/zinc/09/77/96/569097796.db2.gz NPRSDDRONYOMLY-GOSISDBHSA-N 1 0 438.597 5.158 50 0 IKAARO CC1CC[NH+]([C@H](CNC(=O)Cc2csc(-c3ccsc3)n2)c2cccs2)CC1 ZINC000036395312 569098718 /nfs/dbraw/zinc/09/87/18/569098718.db2.gz SQDHASJEKBGIJK-GOSISDBHSA-N 1 0 431.652 5.065 50 0 IKAARO Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCC(C)CC2)n3C(C)C)cc1 ZINC000065322325 569136608 /nfs/dbraw/zinc/13/66/08/569136608.db2.gz NRVMHVBADDFYDH-UHFFFAOYSA-N 1 0 434.584 5.175 50 0 IKAARO C[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000239338723 569138897 /nfs/dbraw/zinc/13/88/97/569138897.db2.gz LBMQWGLSKLHDSA-QWZKXEKUSA-N 1 0 445.606 7.163 50 0 IKAARO Cc1ccc(S(=O)(=O)N(c2cccc(C)c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000037279860 569145636 /nfs/dbraw/zinc/14/56/36/569145636.db2.gz QASMSYFUBUNXOL-UHFFFAOYSA-N 1 0 434.605 5.163 50 0 IKAARO COc1ccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000037280014 569145831 /nfs/dbraw/zinc/14/58/31/569145831.db2.gz BOWFIFWLMRYFNR-UHFFFAOYSA-N 1 0 444.575 5.324 50 0 IKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@H](C(=O)N[C@H]2CCCC[C@H]2C)C1 ZINC000251180155 569158215 /nfs/dbraw/zinc/15/82/15/569158215.db2.gz RIWWJAOMOXKEGC-PBEJRMEISA-N 1 0 429.992 5.210 50 0 IKAARO Clc1ccc(CC[NH2+]Cc2cn3c(nnc3-c3cccc(Br)c3)s2)cc1 ZINC000017149880 569174828 /nfs/dbraw/zinc/17/48/28/569174828.db2.gz OIOGBQLLWGPJTC-UHFFFAOYSA-N 1 0 447.789 5.206 50 0 IKAARO CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CC[NH+]5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000002087637 569178384 /nfs/dbraw/zinc/17/83/84/569178384.db2.gz LCHQKKCWNVVBHJ-CEGFDSHFSA-N 1 0 441.656 5.552 50 0 biogenic IKAARO C[NH+](C)[C@@H](c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1)C1CC1 ZINC000252498729 569187947 /nfs/dbraw/zinc/18/79/47/569187947.db2.gz RJSRWUXCFLEYHS-MRXNPFEDSA-N 1 0 438.837 5.609 50 0 IKAARO COc1ccccc1C(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000037560055 569200869 /nfs/dbraw/zinc/20/08/69/569200869.db2.gz LBCWDMMXYOTEIV-UHFFFAOYSA-N 1 0 428.576 5.623 50 0 IKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000037559543 569200968 /nfs/dbraw/zinc/20/09/68/569200968.db2.gz HWHBLDFWTDYKBQ-UHFFFAOYSA-N 1 0 436.502 5.285 50 0 IKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3cccc(OC)c3)CC2)cc1 ZINC000037560862 569201047 /nfs/dbraw/zinc/20/10/47/569201047.db2.gz SMTNUCGXIGYQMU-UHFFFAOYSA-N 1 0 448.538 5.154 50 0 IKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3ccccc3OC)c3cccc(C)c3)CC2)c1 ZINC000037560856 569201052 /nfs/dbraw/zinc/20/10/52/569201052.db2.gz HLISKMHJFIOGNG-UHFFFAOYSA-N 1 0 444.575 5.324 50 0 IKAARO COc1cccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3OC)CC2)c1 ZINC000037560866 569201054 /nfs/dbraw/zinc/20/10/54/569201054.db2.gz ZMLFKCDIUZEUOP-UHFFFAOYSA-N 1 0 448.538 5.154 50 0 IKAARO COc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccccc3F)CC2)cc1OC ZINC000037560416 569201059 /nfs/dbraw/zinc/20/10/59/569201059.db2.gz FZXTZEAHFMEZOD-UHFFFAOYSA-N 1 0 448.538 5.154 50 0 IKAARO COc1cc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(C)cc3)CC2)cc(OC)c1 ZINC000037560432 569201098 /nfs/dbraw/zinc/20/10/98/569201098.db2.gz TTWUUNLLWMLVOC-UHFFFAOYSA-N 1 0 444.575 5.324 50 0 IKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3cccs3)c3cccc(OC)c3)CC2)c1 ZINC000037570519 569201182 /nfs/dbraw/zinc/20/11/82/569201182.db2.gz HJHARDMSVSLCDS-UHFFFAOYSA-N 1 0 436.577 5.077 50 0 IKAARO CCOc1ccccc1C(=O)N1CCC([NH2+][C@@H](C)CC(C)(C)c2c[nH]c3ccccc32)CC1 ZINC000253416050 569266351 /nfs/dbraw/zinc/26/63/51/569266351.db2.gz SAHUJVWGHCKPRP-FQEVSTJZSA-N 1 0 447.623 5.517 50 0 IKAARO C[C@@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)c1ccc(F)cc1 ZINC000239287389 569268761 /nfs/dbraw/zinc/26/87/61/569268761.db2.gz CRQSSISIXUBQTB-DRSQSWENSA-N 1 0 444.377 6.678 50 0 IKAARO C[C@@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)c1ccc(F)cc1 ZINC000239287388 569268803 /nfs/dbraw/zinc/26/88/03/569268803.db2.gz CRQSSISIXUBQTB-CGRZDAIDSA-N 1 0 444.377 6.678 50 0 IKAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000239310103 569268810 /nfs/dbraw/zinc/26/88/10/569268810.db2.gz IBNCSKDJHIAUMN-WIYYLYMNSA-N 1 0 433.379 5.295 50 0 IKAARO C[C@H]1[C@H](c2ccccc2)[N@@H+](C2CCCCC2)C[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000245309142 569269921 /nfs/dbraw/zinc/26/99/21/569269921.db2.gz BPODYCZWRPAIBO-OQTWNIQDSA-N 1 0 437.627 7.295 50 0 IKAARO CC[C@@H]1CCCC[N@@H+]1[C@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O ZINC000248339232 569271010 /nfs/dbraw/zinc/27/10/10/569271010.db2.gz SKFHLRLOYXFONB-NQIIRXRSSA-N 1 0 433.577 5.168 50 0 IKAARO Clc1ccc(Oc2cccc(CN3CC[N@@H+]4CCC[C@H]4[C@@H]3C3CCCCC3)c2)cc1 ZINC000252469973 569271250 /nfs/dbraw/zinc/27/12/50/569271250.db2.gz CAUUZMHTQOKFAB-UIOOFZCWSA-N 1 0 425.016 6.361 50 0 IKAARO CC1CC[NH+]([C@@H](CNC(=O)CCc2ncc(-c3ccccc3F)o2)c2cccs2)CC1 ZINC000027575197 569273900 /nfs/dbraw/zinc/27/39/00/569273900.db2.gz FVOCUZQUCNMMBJ-FQEVSTJZSA-N 1 0 441.572 5.064 50 0 IKAARO CC1CC[NH+]([C@H](CNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c2cccs2)CC1 ZINC000027575175 569273932 /nfs/dbraw/zinc/27/39/32/569273932.db2.gz LKUCFZXJJXVBDA-HXUWFJFHSA-N 1 0 441.572 5.064 50 0 IKAARO COc1ccc2cc(C[NH2+]CCc3ccccc3F)c(-c3ccc(OC)c(OC)c3)nc2c1 ZINC000299757157 569283508 /nfs/dbraw/zinc/28/35/08/569283508.db2.gz IKWFQBVLAXDSSH-UHFFFAOYSA-N 1 0 446.522 5.399 50 0 IKAARO COc1ccc2cc(C[NH2+]CCc3cccc(F)c3)c(-c3ccc(OC)c(OC)c3)nc2c1 ZINC000299764752 569283626 /nfs/dbraw/zinc/28/36/26/569283626.db2.gz DQEVEXLEJOAMIU-UHFFFAOYSA-N 1 0 446.522 5.399 50 0 IKAARO COc1cccc(CC[NH2+]Cc2cc3cc4c(cc3nc2-c2ccc(F)cc2)OCO4)c1 ZINC000299790204 569283629 /nfs/dbraw/zinc/28/36/29/569283629.db2.gz AIRANILFLJDKBR-UHFFFAOYSA-N 1 0 430.479 5.111 50 0 IKAARO CSc1ccc2cc(C[NH2+]C3CCN(Cc4ccccc4)CC3)c(=O)n(CC(C)C)c2c1 ZINC000299799047 569283636 /nfs/dbraw/zinc/28/36/36/569283636.db2.gz UNTQTUXNRJRZBH-UHFFFAOYSA-N 1 0 449.664 5.134 50 0 IKAARO COc1ccc(OC)c(-c2nc3cc(SC)ccc3cc2C[NH2+]Cc2cccs2)c1 ZINC000299767549 569283657 /nfs/dbraw/zinc/28/36/57/569283657.db2.gz IGISDSDYOPBLBI-UHFFFAOYSA-N 1 0 436.602 5.992 50 0 IKAARO COc1cc(C[NH2+]Cc2cc3cc(C)ccc3nc2-c2ccccc2OC)cc(OC)c1 ZINC000299770742 569283730 /nfs/dbraw/zinc/28/37/30/569283730.db2.gz MICJGYHNJLEHTB-UHFFFAOYSA-N 1 0 428.532 5.526 50 0 IKAARO COc1ccc([C@@H](CNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)[NH+]2CCCCC2)cc1 ZINC000027667540 569289086 /nfs/dbraw/zinc/28/90/86/569289086.db2.gz TXXMLJZSLPPLCE-XMMPIXPASA-N 1 0 446.547 5.115 50 0 IKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000002414413 569301239 /nfs/dbraw/zinc/30/12/39/569301239.db2.gz XDTGQDSTNXNMGA-DEOSSOPVSA-N 1 0 446.591 5.368 50 0 IKAARO CCCc1nc2sc3c(nc(SC)nc3NCC[NH+](CC)CC)c2c2c1CCC2 ZINC000002418831 569301731 /nfs/dbraw/zinc/30/17/31/569301731.db2.gz NTXKGOVYMUVPIY-UHFFFAOYSA-N 1 0 429.659 5.156 50 0 IKAARO CC(C)Oc1ccc(C[NH2+]CC[C@@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000002447174 569304494 /nfs/dbraw/zinc/30/44/94/569304494.db2.gz KNPCFZQMRZUWSB-NDEPHWFRSA-N 1 0 435.583 6.712 50 0 IKAARO Clc1cccc(Cl)c1C[NH+]1CCC(c2cc(-c3cccc4ccccc43)n[nH]2)CC1 ZINC000012961370 569305453 /nfs/dbraw/zinc/30/54/53/569305453.db2.gz VTALGSJBDKQOPS-UHFFFAOYSA-N 1 0 436.386 6.916 50 0 IKAARO COc1ccc(CC[NH2+][C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 ZINC000013096359 569309544 /nfs/dbraw/zinc/30/95/44/569309544.db2.gz TWJGXUQCSVZPPT-QFIPXVFZSA-N 1 0 428.454 5.226 50 0 IKAARO COc1ccc(CC[NH2+][C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 ZINC000013096358 569309564 /nfs/dbraw/zinc/30/95/64/569309564.db2.gz TWJGXUQCSVZPPT-JOCHJYFZSA-N 1 0 428.454 5.226 50 0 IKAARO Clc1cccc(NCc2nnc(SCC[NH+]3CCCCC3)n2-c2ccccc2)c1 ZINC000013389625 569315295 /nfs/dbraw/zinc/31/52/95/569315295.db2.gz IUDNWDZOGKXPPH-UHFFFAOYSA-N 1 0 428.005 5.111 50 0 IKAARO C[N@@H+]1C[C@H](C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000013397886 569315448 /nfs/dbraw/zinc/31/54/48/569315448.db2.gz GDBDLBPXGKPWAX-YADHBBJMSA-N 1 0 426.343 6.314 50 0 IKAARO C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)OC[N@@H+]2C1 ZINC000070691808 569315471 /nfs/dbraw/zinc/31/54/71/569315471.db2.gz GRMUAQMHJKQVFL-AFMXNGOSSA-N 1 0 427.673 5.629 50 0 biogenic IKAARO COc1cccc(COc2cccc(Cl)c2C[NH2+]CCc2nnc(-c3ccccc3)o2)c1 ZINC000078990040 569321514 /nfs/dbraw/zinc/32/15/14/569321514.db2.gz LJVOUMBCEYMCFR-UHFFFAOYSA-N 1 0 449.938 5.310 50 0 IKAARO CCC1=Nc2cc(C(=O)NCC[NH+](CC(C)C)CC(C)C)ccc2Sc2ccccc21 ZINC000020178844 569354675 /nfs/dbraw/zinc/35/46/75/569354675.db2.gz QDWMKQPFPYUCFG-UHFFFAOYSA-N 1 0 437.653 6.026 50 0 IKAARO [NH2+]=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000020237354 569357456 /nfs/dbraw/zinc/35/74/56/569357456.db2.gz HGGRENONTQIFOX-UHFFFAOYSA-N 1 0 428.319 5.170 50 0 IKAARO Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)sc21 ZINC000020239204 569357594 /nfs/dbraw/zinc/35/75/94/569357594.db2.gz OYZVBGVMXBTVAZ-UHFFFAOYSA-N 1 0 443.016 5.046 50 0 IKAARO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)NCCc4ccc(C)cc4)C3)c(C)o2)cc1 ZINC000020240934 569357725 /nfs/dbraw/zinc/35/77/25/569357725.db2.gz HLAYSHFAHXNPDN-VWLOTQADSA-N 1 0 445.607 5.092 50 0 IKAARO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+]1CCC[C@@H](C(=O)NCc2ccccc2Cl)C1 ZINC000020241031 569357916 /nfs/dbraw/zinc/35/79/16/569357916.db2.gz JUXMFMGUMQOUMC-OAQYLSRUSA-N 1 0 437.971 5.140 50 0 IKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@@H](C(=O)NC2CCCCCCC2)C1 ZINC000020240957 569357924 /nfs/dbraw/zinc/35/79/24/569357924.db2.gz LRNYIUKQDXTQOQ-HXUWFJFHSA-N 1 0 444.019 5.745 50 0 IKAARO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+]1CCC[C@H](C(=O)NCc2ccccc2Cl)C1 ZINC000020241033 569357942 /nfs/dbraw/zinc/35/79/42/569357942.db2.gz JUXMFMGUMQOUMC-NRFANRHFSA-N 1 0 437.971 5.140 50 0 IKAARO Cc1ccc2nc(Cl)c3cc(C(=O)N4CC[NH+](C5CCCCC5)CC4)sc3c2c1 ZINC000020321404 569360275 /nfs/dbraw/zinc/36/02/75/569360275.db2.gz CANCOXNFJYLAFL-UHFFFAOYSA-N 1 0 428.001 5.502 50 0 IKAARO OC(C[NH2+]Cc1cccc(C(F)(F)F)c1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365333 569361964 /nfs/dbraw/zinc/36/19/64/569361964.db2.gz ZKAIRLPTRCSKPQ-UHFFFAOYSA-N 1 0 440.292 6.038 50 0 IKAARO Cc1ccccc1C(=O)N1C(=S)C(c2ccc(Cl)cc2)=NC12CC[NH+](C(C)C)CC2 ZINC000020436150 569365398 /nfs/dbraw/zinc/36/53/98/569365398.db2.gz UMBCPDYWYGEFOR-UHFFFAOYSA-N 1 0 440.012 5.121 50 0 IKAARO CC(C)CCOc1ccc([C@@](O)(C(C)C)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020441066 569365769 /nfs/dbraw/zinc/36/57/69/569365769.db2.gz DXIIYKYODSHYAC-SXOMAYOGSA-N 1 0 425.613 5.071 50 0 IKAARO C[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000095994645 569378502 /nfs/dbraw/zinc/37/85/02/569378502.db2.gz DPHYODNXHRBPLX-ABSDTBQOSA-N 1 0 444.501 5.317 50 0 IKAARO O=C(OCCCCCCCCCC[NH+]1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000096026388 569380799 /nfs/dbraw/zinc/38/07/99/569380799.db2.gz MXXMIANHNIOAMY-UHFFFAOYSA-N 1 0 437.624 5.815 50 0 IKAARO CC(=O)O[C@H](c1cccc(N(Cc2ccccc2)C(C)=O)c1)C(C)(C)[NH2+]Cc1ccccc1 ZINC000096028148 569380952 /nfs/dbraw/zinc/38/09/52/569380952.db2.gz YVDGMXCQDZVZHT-HHHXNRCGSA-N 1 0 444.575 5.412 50 0 IKAARO Cc1ncc(C[NH+]2CCCCCC2)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116531 569383789 /nfs/dbraw/zinc/38/37/89/569383789.db2.gz IGNABTRSSUDIGA-UHFFFAOYSA-N 1 0 428.532 5.774 50 0 biogenic IKAARO COc1ccc(NC(=O)N2CC[NH+]([C@H](c3ccccc3)c3cc(C)ccc3C)CC2)cc1 ZINC000096183755 569386062 /nfs/dbraw/zinc/38/60/62/569386062.db2.gz HHRNUOQKUZVZIP-AREMUKBSSA-N 1 0 429.564 5.251 50 0 IKAARO O=C(C1CCCC1)N1C[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2ccc(F)cc2)C1 ZINC000096281433 569389919 /nfs/dbraw/zinc/38/99/19/569389919.db2.gz OQEYBTZNBUPKQB-XTEPFMGCSA-N 1 0 448.626 5.513 50 0 IKAARO Cc1ccc(N2C(=O)C3=C(C(c4ccccc4)=[NH+]CCN3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000096300321 569392054 /nfs/dbraw/zinc/39/20/54/569392054.db2.gz LNRBMBRIGLBCPC-RUZDIDTESA-N 1 0 427.935 5.083 50 0 IKAARO Cc1ccc(N2C(=O)C3=C(C(c4ccccc4)=[NH+]CCN3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000096300322 569392087 /nfs/dbraw/zinc/39/20/87/569392087.db2.gz LNRBMBRIGLBCPC-VWLOTQADSA-N 1 0 427.935 5.083 50 0 IKAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2cc3occc3c(Nc3ccc(Cl)cc3)n2)C1 ZINC000096323651 569395385 /nfs/dbraw/zinc/39/53/85/569395385.db2.gz VDBJCQQITOAMNS-INIZCTEOSA-N 1 0 426.948 5.077 50 0 IKAARO O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000225689194 569407204 /nfs/dbraw/zinc/40/72/04/569407204.db2.gz LLKNIXJHPNZHIB-UHFFFAOYSA-N 1 0 436.552 5.342 50 0 IKAARO O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000057362897 569432027 /nfs/dbraw/zinc/43/20/27/569432027.db2.gz RPPPYCLSHHNDBL-AREMUKBSSA-N 1 0 443.591 5.207 50 0 IKAARO c1c(-c2ccccc2)sc2ncnc(N3CC[NH+](Cc4cccc5cccnc54)CC3)c12 ZINC000057378608 569432667 /nfs/dbraw/zinc/43/26/67/569432667.db2.gz MZYAGGHEZLFOHE-UHFFFAOYSA-N 1 0 437.572 5.229 50 0 IKAARO CCCC[N@H+](C)CCCNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21 ZINC000003040035 569438051 /nfs/dbraw/zinc/43/80/51/569438051.db2.gz JHLCHOGKACAGAM-UHFFFAOYSA-N 1 0 425.573 5.377 50 0 IKAARO O=C(NCCC[NH+]1CCCC1)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000003039988 569438053 /nfs/dbraw/zinc/43/80/53/569438053.db2.gz KUXLJYOGRVKUPU-UHFFFAOYSA-N 1 0 425.985 5.255 50 0 IKAARO CCOc1ccc(-c2cc(C(=O)NCC[N@H+](C)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000003044904 569438590 /nfs/dbraw/zinc/43/85/90/569438590.db2.gz LRRNWPPYIQSQDG-UHFFFAOYSA-N 1 0 439.559 5.162 50 0 IKAARO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000230155072 569439614 /nfs/dbraw/zinc/43/96/14/569439614.db2.gz ZWCOCJLHTMXBGQ-BDYUSTAISA-N 1 0 444.594 5.901 50 0 IKAARO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000230155098 569439629 /nfs/dbraw/zinc/43/96/29/569439629.db2.gz IDYBSXZMTOQFNX-LSYYVWMOSA-N 1 0 444.594 5.901 50 0 IKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1C(F)(F)F ZINC000057622103 569440413 /nfs/dbraw/zinc/44/04/13/569440413.db2.gz ONAYYTHDEHNADY-UHFFFAOYSA-N 1 0 439.481 5.280 50 0 IKAARO CCOC(=O)c1cc2cc(OC)ccc2n1CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000057988408 569444021 /nfs/dbraw/zinc/44/40/21/569444021.db2.gz ZKVAUBVVZOKEPH-UHFFFAOYSA-N 1 0 442.559 5.529 50 0 IKAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000058160832 569449215 /nfs/dbraw/zinc/44/92/15/569449215.db2.gz SKVOWOZHDCFSEZ-VGSWGCGISA-N 1 0 448.588 5.586 50 0 IKAARO COc1ccc(NC(=S)N(CC[NH+]2CCCCCC2)Cc2cccs2)cc1Cl ZINC000003665627 569456013 /nfs/dbraw/zinc/45/60/13/569456013.db2.gz KEGIPDJALDWISB-UHFFFAOYSA-N 1 0 438.062 5.485 50 0 IKAARO COc1cc(Cl)c(C)cc1NC(=S)N(CCC[NH+]1CCCCC1)Cc1ccco1 ZINC000003665679 569456015 /nfs/dbraw/zinc/45/60/15/569456015.db2.gz AVKLDXCPGPOSGP-UHFFFAOYSA-N 1 0 436.021 5.325 50 0 IKAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(c2ccccc2OC)CCO1 ZINC000004028144 569458269 /nfs/dbraw/zinc/45/82/69/569458269.db2.gz LZCRRXFBCSZFKT-IZZNHLLZSA-N 1 0 427.585 5.109 50 0 biogenic IKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+](Cc4ccccc4)Cc4ccccc4)[C@H]3C=C12 ZINC000004082830 569458690 /nfs/dbraw/zinc/45/86/90/569458690.db2.gz OESKVACCFMXCQV-BUDALPMNSA-N 1 0 429.604 6.003 50 0 biogenic IKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000004085535 569458807 /nfs/dbraw/zinc/45/88/07/569458807.db2.gz BJCHICZXAWGDFL-WXLUIRDFSA-N 1 0 426.000 5.743 50 0 biogenic IKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(F)cc2)[NH+]2CCC(C)CC2)c1C ZINC000004247795 569461359 /nfs/dbraw/zinc/46/13/59/569461359.db2.gz CKMZPJPIUFLWTL-QFIPXVFZSA-N 1 0 426.557 6.171 50 0 IKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(F)cc2)[NH+]2CCC(C)CC2)c1C ZINC000004247794 569461363 /nfs/dbraw/zinc/46/13/63/569461363.db2.gz CKMZPJPIUFLWTL-JOCHJYFZSA-N 1 0 426.557 6.171 50 0 IKAARO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000007978291 569462001 /nfs/dbraw/zinc/46/20/01/569462001.db2.gz PPTAQMAZAYQVIF-LJQANCHMSA-N 1 0 425.532 5.701 50 0 IKAARO Cc1ccc(C)c(NC(=O)[C@@H](NCc2ccccc2C[NH+]2CCCC2)c2ccccc2)c1 ZINC000008394244 569463257 /nfs/dbraw/zinc/46/32/57/569463257.db2.gz NEWULROANHWVLA-MHZLTWQESA-N 1 0 427.592 5.369 50 0 IKAARO O=C(Nc1sc2c(c1[C@H](c1cccc(F)c1)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038545967 569463331 /nfs/dbraw/zinc/46/33/31/569463331.db2.gz MIOWOGPWCFSIFS-QHCPKHFHSA-N 1 0 438.568 6.187 50 0 IKAARO O=C(Nc1sc2c(c1[C@H](c1cccs1)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038546145 569463404 /nfs/dbraw/zinc/46/34/04/569463404.db2.gz QLEFLUBNRVQGGP-NRFANRHFSA-N 1 0 426.607 6.109 50 0 IKAARO CC1CC[NH+]([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccncc2)CC1 ZINC000038546325 569463465 /nfs/dbraw/zinc/46/34/65/569463465.db2.gz FGWMFWPOFPLFDR-QHCPKHFHSA-N 1 0 435.593 5.689 50 0 IKAARO CCc1cc([C@H](c2ccc(C)cc2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546544 569463720 /nfs/dbraw/zinc/46/37/20/569463720.db2.gz FNPZTELYWBEJHU-QHCPKHFHSA-N 1 0 437.609 5.191 50 0 IKAARO COc1ccccc1[C@H](c1c(C)c(C)sc1NC(=O)c1cccs1)[NH+]1CCCC1 ZINC000038546853 569463819 /nfs/dbraw/zinc/46/38/19/569463819.db2.gz ROHZSTRJCZOQAP-OAQYLSRUSA-N 1 0 426.607 5.873 50 0 IKAARO Clc1cccc(-c2nnn3c2nc(N2CCC([NH+]4CCCCC4)CC2)c2ccccc23)c1 ZINC000067262685 569466679 /nfs/dbraw/zinc/46/66/79/569466679.db2.gz AZGBULUUQHXVDM-UHFFFAOYSA-N 1 0 446.986 5.053 50 0 IKAARO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000008575145 569469100 /nfs/dbraw/zinc/46/91/00/569469100.db2.gz JSUQZYGESSKTPJ-UHFFFAOYSA-N 1 0 440.587 6.486 50 0 IKAARO COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717696 569471088 /nfs/dbraw/zinc/47/10/88/569471088.db2.gz XAWWOBYQYQZUNV-AREMUKBSSA-N 1 0 439.559 5.231 50 0 IKAARO O[C@]1(C(F)(F)F)C=C(c2cccs2)[NH2+]N1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000008752160 569473505 /nfs/dbraw/zinc/47/35/05/569473505.db2.gz QGEUNSLTLVSASJ-INIZCTEOSA-N 1 0 429.876 5.390 50 0 IKAARO Oc1ccccc1C=CC1=C[C@@](O)(C(F)(F)F)N(c2nc(-c3ccc(F)cc3)cs2)[NH2+]1 ZINC000008753991 569473804 /nfs/dbraw/zinc/47/38/04/569473804.db2.gz DFRINZYZGSOSIV-JRMCHAMMSA-N 1 0 449.429 5.185 50 0 IKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(OC(F)F)cc2)[NH+]2CCCC2)c1C ZINC000008763382 569474445 /nfs/dbraw/zinc/47/44/45/569474445.db2.gz NUUNZBVMYBPLNH-FQEVSTJZSA-N 1 0 446.519 5.997 50 0 IKAARO CCCC[N@H+](CC)CCCNC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1 ZINC000008811455 569476595 /nfs/dbraw/zinc/47/65/95/569476595.db2.gz XOIMCYNYRSCNKP-UHFFFAOYSA-N 1 0 441.641 5.347 50 0 IKAARO CCC[NH+](CCC)CCCNC(=O)c1cc(Nc2ccccc2OC)nc2ccccc21 ZINC000008813624 569476632 /nfs/dbraw/zinc/47/66/32/569476632.db2.gz VEFBMOYQNXTRDU-UHFFFAOYSA-N 1 0 434.584 5.229 50 0 IKAARO O=C(COc1ccc(Cl)cc1Cl)NC[C@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008863176 569480215 /nfs/dbraw/zinc/48/02/15/569480215.db2.gz KFDDKRFTGQOBPE-GOSISDBHSA-N 1 0 427.397 5.167 50 0 IKAARO C[C@H]([NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008874174 569480989 /nfs/dbraw/zinc/48/09/89/569480989.db2.gz BSVQZDXYLITYTK-MPVQEXEOSA-N 1 0 444.446 7.267 50 0 IKAARO CSc1nc(C)c(CCC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c(C)n1 ZINC000040040627 569483543 /nfs/dbraw/zinc/48/35/43/569483543.db2.gz DUHKLRQOLZGJGT-UHFFFAOYSA-N 1 0 426.630 5.151 50 0 IKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH2+]Cc1ccco1 ZINC000008985849 569494823 /nfs/dbraw/zinc/49/48/23/569494823.db2.gz FBDWANCKLFRVKK-XMMPIXPASA-N 1 0 436.555 6.027 50 0 IKAARO CC[NH+](CC)CCCn1cnc2c(c1=N)[C@@H](c1ccco1)c1ccc3ccccc3c1O2 ZINC000008994115 569495461 /nfs/dbraw/zinc/49/54/61/569495461.db2.gz MDOKIMLPQSILGN-JOCHJYFZSA-N 1 0 428.536 5.127 50 0 IKAARO COc1ccccc1C1=NN2[C@H](C1)c1ccccc1OC21CC[NH+](Cc2ccccc2)CC1 ZINC000009019673 569496887 /nfs/dbraw/zinc/49/68/87/569496887.db2.gz VOOVECIRRTYXTP-RUZDIDTESA-N 1 0 439.559 5.231 50 0 IKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccsc3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000245279036 569502013 /nfs/dbraw/zinc/50/20/13/569502013.db2.gz AWVONRIQQGFJOA-UPVQGACJSA-N 1 0 428.642 5.113 50 0 IKAARO Cc1ccc(Cn2cc(CCC(=O)NCCC[N@@H+](C)C3CCCCC3)c3ccccc32)cc1 ZINC000009116092 569502843 /nfs/dbraw/zinc/50/28/43/569502843.db2.gz UVBCSQFNIRYXJU-UHFFFAOYSA-N 1 0 445.651 5.701 50 0 IKAARO Cc1ccc(Cn2cc(CCC(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c3ccccc32)cc1 ZINC000009116088 569502862 /nfs/dbraw/zinc/50/28/62/569502862.db2.gz HZBNFLUIIYYBDU-DNQXCXABSA-N 1 0 445.651 5.415 50 0 IKAARO Cc1ccc(Cn2cc(CCC(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc32)cc1 ZINC000009116083 569502873 /nfs/dbraw/zinc/50/28/73/569502873.db2.gz HZBNFLUIIYYBDU-PSWAGMNNSA-N 1 0 445.651 5.415 50 0 IKAARO CC[N@H+](CCCNC(=O)c1nc(-c2cccc(F)c2)n2c1CCCCC2)Cc1ccccc1 ZINC000009117179 569503093 /nfs/dbraw/zinc/50/30/93/569503093.db2.gz GHKPEGXCPYSUCB-UHFFFAOYSA-N 1 0 448.586 5.058 50 0 IKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(C(=O)c3ccccc3)C(C)C)[C@H](c3ccc(C)cc3)C2)o1 ZINC000245327073 569503707 /nfs/dbraw/zinc/50/37/07/569503707.db2.gz IPEOCWLBZFFVSE-BDYUSTAISA-N 1 0 430.592 5.663 50 0 IKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cccc(Cl)c2C)C1 ZINC000009151118 569507349 /nfs/dbraw/zinc/50/73/49/569507349.db2.gz IWQDZEPEZCPKDV-UHFFFAOYSA-N 1 0 428.989 5.200 50 0 IKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000009151111 569507398 /nfs/dbraw/zinc/50/73/98/569507398.db2.gz AXAMYFREZPPFRQ-UHFFFAOYSA-N 1 0 428.989 5.200 50 0 IKAARO COc1ccccc1NC(=O)N(Cc1ccc(C)o1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009151161 569507433 /nfs/dbraw/zinc/50/74/33/569507433.db2.gz UAMAEICOQJGXHX-UHFFFAOYSA-N 1 0 433.552 5.295 50 0 IKAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000009151883 569507609 /nfs/dbraw/zinc/50/76/09/569507609.db2.gz BLNULAZEBFFDTC-UHFFFAOYSA-N 1 0 445.588 5.996 50 0 IKAARO Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)C(c3ccccc3)c3ccccc3)nc21 ZINC000009151899 569507673 /nfs/dbraw/zinc/50/76/73/569507673.db2.gz PHWWPPZAYDOFKL-UHFFFAOYSA-N 1 0 443.616 5.722 50 0 IKAARO C[NH+](C)CCCN(C(=O)c1ccccc1Oc1ccccc1)c1nc2c(cccc2F)s1 ZINC000009151918 569507689 /nfs/dbraw/zinc/50/76/89/569507689.db2.gz YZEPLLQQLUSCGZ-UHFFFAOYSA-N 1 0 449.551 5.826 50 0 IKAARO C[NH+](C)CCCN(C(=O)C(c1ccccc1)c1ccccc1)c1nc2c(cccc2F)s1 ZINC000009151914 569507695 /nfs/dbraw/zinc/50/76/95/569507695.db2.gz OFXBQXFGVNZGIU-UHFFFAOYSA-N 1 0 447.579 5.552 50 0 IKAARO C[NH+](C)CCCN(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc2c(cccc2F)s1 ZINC000009151917 569507706 /nfs/dbraw/zinc/50/77/06/569507706.db2.gz VJBOKHCSSNXLKM-UHFFFAOYSA-N 1 0 449.551 5.826 50 0 IKAARO CC[NH+](CC)CCCNc1nc(SC)nc2c3c4c(c(C(C)C)nc3sc21)CCC4 ZINC000009161324 569508727 /nfs/dbraw/zinc/50/87/27/569508727.db2.gz PIBLNVOKERKWNL-UHFFFAOYSA-N 1 0 443.686 5.717 50 0 IKAARO CC[NH+](CC)CCCNc1nc(SC(C)C)nc2sc3c(c21)C[C@](C)(CC)OC3 ZINC000009184830 569509988 /nfs/dbraw/zinc/50/99/88/569509988.db2.gz WPEIKYFQJGDGRW-QFIPXVFZSA-N 1 0 436.691 5.577 50 0 IKAARO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc1 ZINC000009185322 569510098 /nfs/dbraw/zinc/51/00/98/569510098.db2.gz KYVWHOUGNSMFTK-RTVRTQBESA-N 1 0 444.575 5.155 50 0 IKAARO Cc1oc(-c2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)cc2)nc1COc1ccc(C)cc1 ZINC000009211879 569511885 /nfs/dbraw/zinc/51/18/85/569511885.db2.gz LWEYTEQLGHTZHY-FQEVSTJZSA-N 1 0 447.579 5.142 50 0 IKAARO O=C(Nc1cc(Cl)ccc1Cl)c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1 ZINC000009227271 569513416 /nfs/dbraw/zinc/51/34/16/569513416.db2.gz PELYTIDWJBWXBN-UHFFFAOYSA-N 1 0 449.769 5.552 50 0 IKAARO CC[NH+](CC)CCCNC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCCC1)O3 ZINC000009251407 569515856 /nfs/dbraw/zinc/51/58/56/569515856.db2.gz KGHOSOIOPAYMDM-UHFFFAOYSA-N 1 0 440.584 5.261 50 0 biogenic IKAARO Cc1cc(C)c2c(n1)sc(C(=O)NC1CC[NH+](Cc3ccccc3)CC1)c2-n1cccc1 ZINC000009251897 569515957 /nfs/dbraw/zinc/51/59/57/569515957.db2.gz FVXSJVQVHYVGPQ-UHFFFAOYSA-N 1 0 444.604 5.098 50 0 IKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Br)s3)=NN12 ZINC000009272470 569517950 /nfs/dbraw/zinc/51/79/50/569517950.db2.gz RRWMNGIIWKLPLX-KRWDZBQOSA-N 1 0 446.414 5.255 50 0 IKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000009272518 569517953 /nfs/dbraw/zinc/51/79/53/569517953.db2.gz MBWACYIAXKKYPA-MHZLTWQESA-N 1 0 437.587 6.098 50 0 IKAARO Cc1sc(NC(=O)c2ccc(C[NH+](C)C)cc2)nc1-c1ccc(Br)cc1 ZINC000009336472 569523407 /nfs/dbraw/zinc/52/34/07/569523407.db2.gz NSBQVRFJUPFIFS-UHFFFAOYSA-N 1 0 430.371 5.195 50 0 IKAARO CC1(C)C(c2ccccc2)=NN(c2ccc(C[NH2+]C3CCCCC3)cc2)[C@H]1c1ccccc1 ZINC000009348109 569524375 /nfs/dbraw/zinc/52/43/75/569524375.db2.gz BVTSNTDWBRSOMT-LJAQVGFWSA-N 1 0 437.631 7.101 50 0 IKAARO Clc1ccccc1C1=NN2[C@H](C1)c1ccccc1OC21CC[NH+](Cc2ccccc2)CC1 ZINC000009358344 569525643 /nfs/dbraw/zinc/52/56/43/569525643.db2.gz IHEQFHABQCJACT-RUZDIDTESA-N 1 0 443.978 5.876 50 0 IKAARO COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3ccc4ccccc4c3)C[C@H]21 ZINC000009374693 569527094 /nfs/dbraw/zinc/52/70/94/569527094.db2.gz ZVILGAXNYAHJKT-RUZDIDTESA-N 1 0 441.575 5.592 50 0 IKAARO Cc1csc(SCc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cc2)n1 ZINC000009376595 569527354 /nfs/dbraw/zinc/52/73/54/569527354.db2.gz OZFHNURPNQWOHR-UHFFFAOYSA-N 1 0 437.634 5.270 50 0 IKAARO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH+]3CCCCCC3)cc21 ZINC000009408659 569530658 /nfs/dbraw/zinc/53/06/58/569530658.db2.gz SAQYAGCBQLIWHZ-QHCPKHFHSA-N 1 0 434.580 5.066 50 0 IKAARO CC(C)[N@H+]([C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)C1CCCCC1 ZINC000009408774 569530661 /nfs/dbraw/zinc/53/06/61/569530661.db2.gz VOUJUMVMUCJFNY-HSZRJFAPSA-N 1 0 435.033 5.403 50 0 IKAARO CC[NH+](CC)CCNc1nc(SC)nc2c3c4c(c(CC(C)C)nc3sc21)CCC4 ZINC000009459493 569536825 /nfs/dbraw/zinc/53/68/25/569536825.db2.gz WGOHODZKKIXSIM-UHFFFAOYSA-N 1 0 443.686 5.402 50 0 IKAARO COc1cc(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)ccc1OCc1csc(C)n1 ZINC000009464555 569537715 /nfs/dbraw/zinc/53/77/15/569537715.db2.gz LYAFYQNRRPGASI-QGZVFWFLSA-N 1 0 434.565 5.076 50 0 IKAARO COc1cc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1OCc1csc(C)n1 ZINC000009464553 569537723 /nfs/dbraw/zinc/53/77/23/569537723.db2.gz LYAFYQNRRPGASI-KRWDZBQOSA-N 1 0 434.565 5.076 50 0 IKAARO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)cc1 ZINC000009489471 569539993 /nfs/dbraw/zinc/53/99/93/569539993.db2.gz LRMCRWGIYVPYMQ-HSZRJFAPSA-N 1 0 438.593 6.040 50 0 IKAARO Cc1ccc(-c2onc3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc32)cc1 ZINC000009528967 569544754 /nfs/dbraw/zinc/54/47/54/569544754.db2.gz DFHNJBXQSRLPJG-UHFFFAOYSA-N 1 0 425.532 5.198 50 0 IKAARO CCC1=Nc2cc(C(=O)NCCC[N@H+]3CCCC[C@H]3CC)ccc2Sc2ccccc21 ZINC000009607866 569552031 /nfs/dbraw/zinc/55/20/31/569552031.db2.gz DWXVQJOTRKYNAZ-HXUWFJFHSA-N 1 0 435.637 6.066 50 0 IKAARO CCCC1=Nc2cc(C(=O)NCCC[N@H+](C)C3CCCCC3)ccc2Sc2ccccc21 ZINC000009608004 569552079 /nfs/dbraw/zinc/55/20/79/569552079.db2.gz ATCBSVRMDLQSAK-UHFFFAOYSA-N 1 0 449.664 6.457 50 0 IKAARO COc1ccccc1Nc1c2cc(NC(=O)c3cccs3)ccc2[nH+]c2c1CCCC2 ZINC000009612241 569552839 /nfs/dbraw/zinc/55/28/39/569552839.db2.gz VZYUTPIUXZKEFJ-UHFFFAOYSA-N 1 0 429.545 6.180 50 0 IKAARO CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)c2cccnc2)cc1F ZINC000009671272 569558502 /nfs/dbraw/zinc/55/85/02/569558502.db2.gz GZCLNJANINAVPK-HXUWFJFHSA-N 1 0 444.554 6.103 50 0 IKAARO Cc1ccc(Nc2cc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)c(C)c1 ZINC000009680791 569560173 /nfs/dbraw/zinc/56/01/73/569560173.db2.gz CNKVMDGZMFLUOQ-SFTDATJTSA-N 1 0 444.623 5.693 50 0 IKAARO COc1ccccc1Nc1cc(C(=O)NCC[NH+](CC(C)C)CC(C)C)c2ccccc2n1 ZINC000009680931 569560225 /nfs/dbraw/zinc/56/02/25/569560225.db2.gz UAQUNGGIUADNDK-UHFFFAOYSA-N 1 0 448.611 5.331 50 0 IKAARO CC[NH+](CC)CCOC(=O)c1ccc(Nc2c3c(nc4ccc(Cl)cc42)CCC3)cc1 ZINC000009693771 569561185 /nfs/dbraw/zinc/56/11/85/569561185.db2.gz LUOBWZIKJPIMIN-UHFFFAOYSA-N 1 0 437.971 5.619 50 0 IKAARO COc1cc(CNc2[nH+]cc(-c3ccc(Cl)cc3)n2C)ccc1OCc1ccccc1 ZINC000009805806 569568819 /nfs/dbraw/zinc/56/88/19/569568819.db2.gz XENMYOYDOYKQCX-UHFFFAOYSA-N 1 0 433.939 5.940 50 0 IKAARO Cn1c(-c2cccc(Br)c2)c[nH+]c1NCc1cccc(OCc2ccccc2)c1 ZINC000009805787 569568829 /nfs/dbraw/zinc/56/88/29/569568829.db2.gz GNLVLLRWSLVSPF-UHFFFAOYSA-N 1 0 448.364 6.041 50 0 IKAARO CCOc1ccc(-c2c[nH+]c(NCc3cc(Br)ccc3F)n2CCOC)cc1 ZINC000009846071 569570947 /nfs/dbraw/zinc/57/09/47/569570947.db2.gz NUAAOIBSXIAZHO-UHFFFAOYSA-N 1 0 448.336 5.109 50 0 IKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1cc2sccc2n1Cc1ccc(Cl)cc1 ZINC000009969781 569576102 /nfs/dbraw/zinc/57/61/02/569576102.db2.gz ARRIRVXIFDBEEB-HDICACEKSA-N 1 0 444.044 5.787 50 0 IKAARO CC[NH+](CC)CCN(C(=O)c1ccc2ncsc2c1)c1nc2ccc(Cl)cc2s1 ZINC000010066569 569577611 /nfs/dbraw/zinc/57/76/11/569577611.db2.gz ZYDRYOXEJUGUCO-UHFFFAOYSA-N 1 0 445.013 5.548 50 0 IKAARO C[NH+](C)CCCN(C(=O)c1nc2ccccc2s1)c1nc2ccc(Cl)cc2s1 ZINC000010067692 569577658 /nfs/dbraw/zinc/57/76/58/569577658.db2.gz OWOSOMDBOPKRAA-UHFFFAOYSA-N 1 0 430.986 5.158 50 0 IKAARO CC[NH+](CC)Cc1ccccc1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000010284531 569580476 /nfs/dbraw/zinc/58/04/76/569580476.db2.gz JCHJYGJQRGEHEM-FRIKZZABSA-N 1 0 432.699 5.147 50 0 IKAARO O[C@H](C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000016477425 569586766 /nfs/dbraw/zinc/58/67/66/569586766.db2.gz ZORGMDKFXAKOIA-OAQYLSRUSA-N 1 0 436.766 6.049 50 0 IKAARO O[C@@H](C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000016477422 569586790 /nfs/dbraw/zinc/58/67/90/569586790.db2.gz ZORGMDKFXAKOIA-NRFANRHFSA-N 1 0 436.766 6.049 50 0 IKAARO CN1c2ccccc2C(C)(C)C1=CC=Cc1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1 ZINC000141801266 569587490 /nfs/dbraw/zinc/58/74/90/569587490.db2.gz HXXWPVLLOMARKB-UDWIEESQSA-N 1 0 430.571 7.288 50 0 IKAARO Cc1ccc(C[NH+]2CCN(c3cc(C)nc4c(-c5ccc(Cl)cc5)cnn43)CC2)c(C)c1 ZINC000002197843 132248700 /nfs/dbraw/zinc/24/87/00/132248700.db2.gz JLONALBEKFTUAW-UHFFFAOYSA-N 1 0 445.998 5.297 50 0 IKAARO C[C@H](C(=O)N1c2ccccc2[C@](C)(c2ccc(Cl)cc2)CC1(C)C)[NH+]1CCC(C)CC1 ZINC000002292549 132251415 /nfs/dbraw/zinc/25/14/15/132251415.db2.gz KHAKSADXWAYEPL-HRFSGMKKSA-N 1 0 439.043 6.282 50 0 IKAARO C[C@@H](C(=O)N1c2ccccc2[C@](C)(c2ccc(Cl)cc2)CC1(C)C)[NH+]1CCC(C)CC1 ZINC000002292548 132251455 /nfs/dbraw/zinc/25/14/55/132251455.db2.gz KHAKSADXWAYEPL-DCFHFQCYSA-N 1 0 439.043 6.282 50 0 IKAARO Cc1scc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1-c1ccc(C)cc1 ZINC000008589150 132283492 /nfs/dbraw/zinc/28/34/92/132283492.db2.gz FRVPJRFSOWCJLA-UHFFFAOYSA-N 1 0 430.539 6.373 50 0 IKAARO Cc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4cccc5ccccc54)CC3)CC2)c1C ZINC000009246896 132310577 /nfs/dbraw/zinc/31/05/77/132310577.db2.gz LOZDCTQZIXFLMT-UHFFFAOYSA-N 1 0 441.619 5.017 50 0 IKAARO Cc1ccc(CN2CCSc3ccc(C(=O)NCCC[NH+]4CCCCCC4)cc32)cc1 ZINC000009962517 132332997 /nfs/dbraw/zinc/33/29/97/132332997.db2.gz KUZJQRRWCLFWFX-UHFFFAOYSA-N 1 0 437.653 5.103 50 0 IKAARO CSc1ccc2c(c1)N(C(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1)c1ccccc1S2 ZINC000013040179 132343184 /nfs/dbraw/zinc/34/31/84/132343184.db2.gz BFIXDCPBWOUZGE-HNNXBMFYSA-N 1 0 441.021 6.542 50 0 IKAARO CC(=O)c1cc(CN(C)C[C@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)cs1 ZINC000012431729 518274727 /nfs/dbraw/zinc/27/47/27/518274727.db2.gz RZVREZBKURXSKY-LJQANCHMSA-N 1 0 438.559 5.356 50 0 IKAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000012094274 518422714 /nfs/dbraw/zinc/42/27/14/518422714.db2.gz RLVBCFXDOAUZOR-SFHVURJKSA-N 1 0 432.486 5.539 50 0 IKAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000012439142 519608780 /nfs/dbraw/zinc/60/87/80/519608780.db2.gz MKJQURRFLSEDDX-UHFFFAOYSA-N 1 0 428.580 5.276 50 0 IKAARO CC(C)[C@@H](C)[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1F ZINC000035841249 519791316 /nfs/dbraw/zinc/79/13/16/519791316.db2.gz AKXLWFJMXIBRTM-LJQANCHMSA-N 1 0 432.505 6.741 50 0 IKAARO CC(C)[C@@H](C)[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1 ZINC000035844681 519791327 /nfs/dbraw/zinc/79/13/27/519791327.db2.gz QYZNZAVEHHRWEK-LJQANCHMSA-N 1 0 432.505 6.741 50 0 IKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]Cc3cccc4ccccc43)CCC[C@@]21C ZINC000033712533 519840517 /nfs/dbraw/zinc/84/05/17/519840517.db2.gz JVRGEFPYXCXEQL-AYQJTBPPSA-N 1 0 425.660 7.763 50 0 IKAARO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012895247 519841178 /nfs/dbraw/zinc/84/11/78/519841178.db2.gz RVZLNRJTKKIMAG-UHFFFAOYSA-N 1 0 436.596 6.045 50 0 IKAARO CCCN1c2ccccc2C(C)(C)/C1=C/C=C/C=C/C1=[N+](CCC)c2ccccc2C1(C)C ZINC000035849727 519865412 /nfs/dbraw/zinc/86/54/12/519865412.db2.gz QPSSNXAIWNZWHY-UHFFFAOYSA-N 1 0 439.667 7.677 50 0 IKAARO CCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000035844746 520441291 /nfs/dbraw/zinc/44/12/91/520441291.db2.gz GUUUVPSZLUFBBT-UHFFFAOYSA-N 1 0 436.571 5.601 50 0 IKAARO CCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cccc(Cl)c1 ZINC000035843642 520442429 /nfs/dbraw/zinc/44/24/29/520442429.db2.gz JENNSLIZBJXLAP-QFIPXVFZSA-N 1 0 437.436 5.870 50 0 IKAARO CCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cccc(OC)c1 ZINC000035843640 520443231 /nfs/dbraw/zinc/44/32/31/520443231.db2.gz HBOZQAPMYPGAFZ-QHCPKHFHSA-N 1 0 433.017 5.225 50 0 IKAARO CCCC[N@H+](CCC)CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000020734537 520487763 /nfs/dbraw/zinc/48/77/63/520487763.db2.gz KLYOSTFVQPZKGX-PXLXIMEGSA-N 1 0 441.572 5.110 50 0 IKAARO CCCC[NH+](CCCC)CCCNC(=O)c1c(C)nn(-c2ccc(C)cc2)c1-n1cccc1 ZINC000020933753 520494211 /nfs/dbraw/zinc/49/42/11/520494211.db2.gz WDSWUSKTCLQPHW-UHFFFAOYSA-N 1 0 449.643 5.302 50 0 IKAARO CCCC[N@H+](CCNc1ncnc2onc(-c3cccc(Cl)c3)c21)Cc1ccco1 ZINC000021650600 520507204 /nfs/dbraw/zinc/50/72/04/520507204.db2.gz AIKPEFGCQUMNAO-UHFFFAOYSA-N 1 0 425.920 5.245 50 0 IKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-c2ccc(C3CCCCC3)cc2)s1 ZINC000022649907 520628435 /nfs/dbraw/zinc/62/84/35/520628435.db2.gz JQTNPORBACTDFU-HXUWFJFHSA-N 1 0 426.670 6.703 50 0 IKAARO CC[NH+](CC)CCN(C(=O)c1cccc(C)c1)c1nc2ccc(Br)cc2s1 ZINC000012140843 520638534 /nfs/dbraw/zinc/63/85/34/520638534.db2.gz JYELCPCKQPNJNO-UHFFFAOYSA-N 1 0 446.414 5.356 50 0 IKAARO CCOc1cc([C@@H]2[NH2+]C[C@H](c3ccc(OC)cc3)c3c4ccccc4[nH]c32)ccc1OC ZINC000012683089 520777557 /nfs/dbraw/zinc/77/75/57/520777557.db2.gz WGCZLEVZAYUPRK-RLWLMLJZSA-N 1 0 428.532 5.408 50 0 IKAARO CCOc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3CC)c3ccccc3n2)cc1 ZINC000020682316 520804631 /nfs/dbraw/zinc/80/46/31/520804631.db2.gz TURIWMLUDDHEMZ-QFIPXVFZSA-N 1 0 445.607 5.685 50 0 IKAARO CCCC[C@@](O)(c1ccc(OCCC(C)C)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020443766 521123115 /nfs/dbraw/zinc/12/31/15/521123115.db2.gz OMBPSMIVFCVMQJ-VSGBNLITSA-N 1 0 439.640 5.605 50 0 IKAARO CCCC[C@@](O)(c1ccc(OCCC(C)C)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020443756 521123299 /nfs/dbraw/zinc/12/32/99/521123299.db2.gz OMBPSMIVFCVMQJ-WUFINQPMSA-N 1 0 439.640 5.605 50 0 IKAARO CCOc1ccc([C@@](O)(CCc2ccccc2)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020444443 521249737 /nfs/dbraw/zinc/24/97/37/521249737.db2.gz AOLCPUKPAQWQSK-VMPREFPWSA-N 1 0 445.603 5.022 50 0 IKAARO CCCC[C@](O)(c1ccc(OCCC(C)C)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020443761 521254844 /nfs/dbraw/zinc/25/48/44/521254844.db2.gz OMBPSMIVFCVMQJ-IZLXSDGUSA-N 1 0 439.640 5.605 50 0 IKAARO CCC[C@](O)(c1ccc(OCCC(C)C)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020756657 521297867 /nfs/dbraw/zinc/29/78/67/521297867.db2.gz AMWZFRHFXGRGAR-SVBPBHIXSA-N 1 0 425.613 5.215 50 0 IKAARO CCOC(=O)c1c(NC(=O)CC[NH+]2CCC(C)CC2)sc(C)c1-c1ccc(Cl)cc1 ZINC000012591704 521407491 /nfs/dbraw/zinc/40/74/91/521407491.db2.gz CSNQUGRTQLVBDB-UHFFFAOYSA-N 1 0 449.016 5.614 50 0 IKAARO CCOc1ccccc1C[NH+]1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 ZINC000012197763 521483345 /nfs/dbraw/zinc/48/33/45/521483345.db2.gz HZSHYGKIHGJILE-UHFFFAOYSA-N 1 0 446.595 5.080 50 0 IKAARO CCOc1ccccc1C[N@@H+]1CCC[C@@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000012302535 521484105 /nfs/dbraw/zinc/48/41/05/521484105.db2.gz FGFHQTRMJQCAIR-SFHVURJKSA-N 1 0 430.976 5.378 50 0 IKAARO CCOc1ccccc1NC(=S)N(CCC[NH+](CC)CC)Cc1c[nH]c2ccccc12 ZINC000020676615 521552374 /nfs/dbraw/zinc/55/23/74/521552374.db2.gz AZIFPDHGIAKZJP-UHFFFAOYSA-N 1 0 438.641 5.498 50 0 IKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C(C)C)cc1)C(c1ccccc1)=N2 ZINC000035372672 521584479 /nfs/dbraw/zinc/58/44/79/521584479.db2.gz QWRAHWXYATVNPZ-UHFFFAOYSA-N 1 0 448.636 5.195 50 0 IKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)NC2CCCC2)C1 ZINC000020532205 521724655 /nfs/dbraw/zinc/72/46/55/521724655.db2.gz JOGXTVLTLGVFAQ-OAQYLSRUSA-N 1 0 442.673 5.636 50 0 IKAARO COC(=O)c1c(Nc2ccc(C[NH+]3CCC(C)CC3)cc2)onc1-c1ccc(Cl)cc1 ZINC000021103662 521774882 /nfs/dbraw/zinc/77/48/82/521774882.db2.gz YSFPJPTUJXXYAI-UHFFFAOYSA-N 1 0 439.943 5.757 50 0 IKAARO CCc1cccc2c([C@H](CC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c3cccc(F)c3)c[nH]c21 ZINC000035889279 521794817 /nfs/dbraw/zinc/79/48/17/521794817.db2.gz VKFYBNWQKVTINI-NBGIEHNGSA-N 1 0 449.614 5.772 50 0 IKAARO CCc1ccccc1NC(=O)N[C@H](CC)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532219 521897169 /nfs/dbraw/zinc/89/71/69/521897169.db2.gz NKSJGPDKTSTGIF-HXUWFJFHSA-N 1 0 436.625 5.752 50 0 IKAARO COc1cc(-c2nc(C[N@@H+]3CCC[C@H](COc4cccc(F)c4)C3)c(C)o2)ccc1F ZINC000012304173 521904475 /nfs/dbraw/zinc/90/44/75/521904475.db2.gz GCDVDDPGVLWSHL-KRWDZBQOSA-N 1 0 428.479 5.228 50 0 IKAARO COC(=O)c1ccccc1C[N@@H+](Cc1cccn1Cc1ccc(C)cc1)CC1CCCCC1 ZINC000035841087 522261700 /nfs/dbraw/zinc/26/17/00/522261700.db2.gz VGHPVPUSIOBSQC-UHFFFAOYSA-N 1 0 444.619 6.214 50 0 IKAARO COc1cc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)ccc1OCc1ccccc1 ZINC000012318431 522478737 /nfs/dbraw/zinc/47/87/37/522478737.db2.gz PLYBJLAOAKEIIZ-HSZRJFAPSA-N 1 0 440.547 5.022 50 0 IKAARO COc1cc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)ccc1OCc1ccccc1 ZINC000012298769 522486906 /nfs/dbraw/zinc/48/69/06/522486906.db2.gz FUGKFDCXVURYIN-HXUWFJFHSA-N 1 0 427.548 5.619 50 0 IKAARO CC[C@H]([NH2+]Cc1cn(-c2ccc(OC)cc2)nc1-c1ccccc1Cl)c1ccncc1 ZINC000012320868 522662402 /nfs/dbraw/zinc/66/24/02/522662402.db2.gz SBUVXRBNBUKDCH-DEOSSOPVSA-N 1 0 432.955 5.837 50 0 IKAARO COc1cc(OC)c(NC(=O)NCC2CC[NH+](Cc3cc(C)ccc3C)CC2)cc1Cl ZINC000020889617 522806254 /nfs/dbraw/zinc/80/62/54/522806254.db2.gz RUWGZLIQLQBTBK-UHFFFAOYSA-N 1 0 445.991 5.008 50 0 IKAARO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc(OC)c1OC ZINC000012418668 522968651 /nfs/dbraw/zinc/96/86/51/522968651.db2.gz FHCDSSAQYVTDRX-QXWFJRNPSA-N 1 0 445.987 5.234 50 0 IKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 ZINC000035560156 523021502 /nfs/dbraw/zinc/02/15/02/523021502.db2.gz BNZCKVNWAGYWHR-QHCPKHFHSA-N 1 0 439.003 5.122 50 0 IKAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)cc1 ZINC000012432203 523139970 /nfs/dbraw/zinc/13/99/70/523139970.db2.gz LMGYSSNDQIRRHB-FQEVSTJZSA-N 1 0 436.502 5.491 50 0 IKAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+][C@H](C)CCCC(C)(C)O)cc1 ZINC000019113804 523244812 /nfs/dbraw/zinc/24/48/12/523244812.db2.gz OOYCQYFHZVIFJK-GOSISDBHSA-N 1 0 425.548 5.106 50 0 IKAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)CCc2ccccn2)cc1F ZINC000012304587 523244939 /nfs/dbraw/zinc/24/49/39/523244939.db2.gz LBIDAORFPOFIFB-UHFFFAOYSA-N 1 0 430.527 5.065 50 0 IKAARO C[N@H+](Cc1ccccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1)C1CCCCC1 ZINC000012905566 523378490 /nfs/dbraw/zinc/37/84/90/523378490.db2.gz NFSVBNIAMZJNAJ-UHFFFAOYSA-N 1 0 447.604 6.017 50 0 IKAARO COc1ccc(C)cc1NC(=O)N(Cc1ccc(C)o1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000020532304 523830395 /nfs/dbraw/zinc/83/03/95/523830395.db2.gz LFRHPFLTEIJMIZ-UHFFFAOYSA-N 1 0 447.579 5.604 50 0 IKAARO CCc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)o1 ZINC000020452179 523924934 /nfs/dbraw/zinc/92/49/34/523924934.db2.gz RGONRIVQJILZRH-JOCHJYFZSA-N 1 0 438.575 6.049 50 0 IKAARO CN(C(=O)c1cccs1)[C@H](Cc1ccccc1)C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012149772 523951794 /nfs/dbraw/zinc/95/17/94/523951794.db2.gz GHEHYKYZOOJUDM-AREMUKBSSA-N 1 0 444.644 5.311 50 0 IKAARO COc1ccc(C[N@@H+](Cc2ccco2)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1 ZINC000012866310 524016243 /nfs/dbraw/zinc/01/62/43/524016243.db2.gz YEEQIDRCKNGTNY-WEAOWZTESA-N 1 0 449.591 5.605 50 0 biogenic IKAARO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)cc1 ZINC000012590034 524023585 /nfs/dbraw/zinc/02/35/85/524023585.db2.gz QCRQTFVADZYCDZ-UHFFFAOYSA-N 1 0 434.511 5.477 50 0 IKAARO C[NH+](C)CCCN(C(=O)CSc1ccc(F)cc1)c1nc2c(cccc2Cl)s1 ZINC000012342180 524053307 /nfs/dbraw/zinc/05/33/07/524053307.db2.gz LJOFHAJTVZLVSR-UHFFFAOYSA-N 1 0 437.993 5.166 50 0 IKAARO C[NH+](C)CCCN(C(=O)c1ccccc1Oc1ccccc1)c1nc2ccc(F)cc2s1 ZINC000012140929 524053619 /nfs/dbraw/zinc/05/36/19/524053619.db2.gz AWDSRACIMJCFLX-UHFFFAOYSA-N 1 0 449.551 5.826 50 0 IKAARO COc1cccc([C@@H](CNC(=O)c2sc3cc(F)ccc3c2Cl)[NH+]2CCCC2)c1 ZINC000012788204 524097127 /nfs/dbraw/zinc/09/71/27/524097127.db2.gz VZGMOCKVOSVRKM-GOSISDBHSA-N 1 0 432.948 5.269 50 0 IKAARO Cc1ccc(C)c(C[NH+](Cc2ccc(N3CCCC3=O)cc2)Cc2cc(C)ccc2C)c1 ZINC000012800163 524097717 /nfs/dbraw/zinc/09/77/17/524097717.db2.gz ZDKBEJCDURDIRP-UHFFFAOYSA-N 1 0 426.604 6.249 50 0 IKAARO Cc1ccc(C)c(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000036031695 524099249 /nfs/dbraw/zinc/09/92/49/524099249.db2.gz GQJPQRAUFOZQBB-DEOSSOPVSA-N 1 0 427.947 5.538 50 0 IKAARO Cc1cccc(-c2ccc(NC(=O)C3CC[NH+](C4CSCCSC4)CC3)cc2)c1 ZINC000012204648 524110672 /nfs/dbraw/zinc/11/06/72/524110672.db2.gz YUIZOFHNLQWXSS-UHFFFAOYSA-N 1 0 426.651 5.161 50 0 IKAARO Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000012783428 524121708 /nfs/dbraw/zinc/12/17/08/524121708.db2.gz NUFAZTSSLIZERJ-DEOSSOPVSA-N 1 0 440.547 5.008 50 0 IKAARO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000012303178 524317823 /nfs/dbraw/zinc/31/78/23/524317823.db2.gz LNTFQWNTUHBPLZ-AIADIJKESA-N 1 0 442.987 5.501 50 0 IKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cc4cc5cc(C)ccc5nc4s3)CC2)cc1 ZINC000021087475 524438532 /nfs/dbraw/zinc/43/85/32/524438532.db2.gz BWYUBFPVTVKIFZ-UHFFFAOYSA-N 1 0 443.616 5.708 50 0 IKAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2c[nH]c3ccccc23)CC1 ZINC000012591062 524446802 /nfs/dbraw/zinc/44/68/02/524446802.db2.gz NPTRTWULTMOVBO-UHFFFAOYSA-N 1 0 433.596 5.187 50 0 IKAARO Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)s1 ZINC000014998584 524452000 /nfs/dbraw/zinc/45/20/00/524452000.db2.gz CSHUFAPXFNMMKU-QFIPXVFZSA-N 1 0 440.616 6.264 50 0 IKAARO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](C[C@H](C)CCC=C(C)C)CC1 ZINC000012575841 524616763 /nfs/dbraw/zinc/61/67/63/524616763.db2.gz CVNPSRVTZLFGPL-HXUWFJFHSA-N 1 0 439.604 5.555 50 0 IKAARO C[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)Oc1cccc(C[NH+]2CCSCC2)c1 ZINC000012100319 524715472 /nfs/dbraw/zinc/71/54/72/524715472.db2.gz HGIANZMUWDPQAF-NRFANRHFSA-N 1 0 446.616 5.100 50 0 IKAARO C[C@@H](CNC(=O)c1ccccc1C(F)(F)F)Oc1cccc(C[N@H+](C)Cc2ccoc2)c1 ZINC000012279820 524723349 /nfs/dbraw/zinc/72/33/49/524723349.db2.gz SDFADHJBHDGTJB-KRWDZBQOSA-N 1 0 446.469 5.128 50 0 IKAARO Cc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1 ZINC000020857672 524756642 /nfs/dbraw/zinc/75/66/42/524756642.db2.gz URFSOCNGIUOHFH-UHFFFAOYSA-N 1 0 429.351 5.207 50 0 IKAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N(C)Cc2sccc2C)c1 ZINC000020785718 524925658 /nfs/dbraw/zinc/92/56/58/524925658.db2.gz OHYLZWHPXWGAJA-UHFFFAOYSA-N 1 0 442.625 5.123 50 0 IKAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N[C@@H](C)c2cccs2)c1 ZINC000012750944 524925970 /nfs/dbraw/zinc/92/59/70/524925970.db2.gz BQCHIFMDHADMQR-KRWDZBQOSA-N 1 0 428.598 5.034 50 0 IKAARO COc1ccc(OC[C@@H]2CCC[N@H+](Cc3nc(-c4cccc(F)c4F)oc3C)C2)cc1 ZINC000012751188 524967930 /nfs/dbraw/zinc/96/79/30/524967930.db2.gz LJFBQFQMRVVHJH-QGZVFWFLSA-N 1 0 428.479 5.228 50 0 IKAARO Cc1ccccc1-c1cccc(C[NH+]2CCC3(C[C@H]3C(=O)NCc3cccs3)CC2)c1 ZINC000012133047 525005768 /nfs/dbraw/zinc/00/57/68/525005768.db2.gz QIJHGXYCINTWFM-VWLOTQADSA-N 1 0 430.617 5.642 50 0 IKAARO Cc1ccc(NC(=O)CNc2ccccc2C[N@@H+](C)C2CCCCC2)c(Br)c1 ZINC000012512884 525064336 /nfs/dbraw/zinc/06/43/36/525064336.db2.gz LKCJZYAKPFDKBN-UHFFFAOYSA-N 1 0 444.417 5.573 50 0 IKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cc2ccccc21 ZINC000035451449 525210158 /nfs/dbraw/zinc/21/01/58/525210158.db2.gz GFYOEMRCOACZBE-UHFFFAOYSA-N 1 0 443.635 5.469 50 0 IKAARO Cc1ccccc1Cn1cc(CCC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc21 ZINC000015678422 525211488 /nfs/dbraw/zinc/21/14/88/525211488.db2.gz VVCCHTOMCWCXBC-ZRZAMGCNSA-N 1 0 445.651 5.415 50 0 IKAARO C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@H]2[NH2+]C[C@H](O)COc1ccccc1 ZINC000245232361 525349320 /nfs/dbraw/zinc/34/93/20/525349320.db2.gz ULILXULMDVDQAM-KTKJEWAJSA-N 1 0 425.657 5.817 50 0 IKAARO Cc1[nH]c2c(cccc2C(=O)N(Cc2cccc(OCC[NH+]3CCCCC3)c2)C2CC2)c1C ZINC000012128622 525417016 /nfs/dbraw/zinc/41/70/16/525417016.db2.gz LRWCRERLCMYITK-UHFFFAOYSA-N 1 0 445.607 5.454 50 0 IKAARO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000012819988 525612423 /nfs/dbraw/zinc/61/24/23/525612423.db2.gz GMTSBLUBYCPENM-DLBZAZTESA-N 1 0 429.589 5.942 50 0 IKAARO C[C@@H]([NH2+][C@H](C)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc2c(c1)CCCC2 ZINC000012819984 525665620 /nfs/dbraw/zinc/66/56/20/525665620.db2.gz GMTSBLUBYCPENM-IAGOWNOFSA-N 1 0 429.589 5.942 50 0 IKAARO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](C[C@@H](C)c2ccccc2)C3)c1OC ZINC000020999442 525711675 /nfs/dbraw/zinc/71/16/75/525711675.db2.gz QQCMIWVEXIISPY-LJQANCHMSA-N 1 0 433.548 5.378 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3cc(C)ccc3C)CC2)c1 ZINC000012459714 525715551 /nfs/dbraw/zinc/71/55/51/525715551.db2.gz AZKVFGRZFNPFPL-UHFFFAOYSA-N 1 0 428.576 5.830 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3ccccc3OC)CC2)c1 ZINC000012195592 525715930 /nfs/dbraw/zinc/71/59/30/525715930.db2.gz WZERNVSAQQLCQO-UHFFFAOYSA-N 1 0 430.548 5.222 50 0 IKAARO COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](c4ccc(Cl)cc4)C3)c(C)o2)c1OC ZINC000020780069 525723888 /nfs/dbraw/zinc/72/38/88/525723888.db2.gz KHFSRTWDATXEKC-GOSISDBHSA-N 1 0 426.944 5.700 50 0 IKAARO COc1cccc(-c2nc3cc(F)ccc3cc2C[NH2+]Cc2cc(OC)cc(OC)c2)c1 ZINC000012152080 525729724 /nfs/dbraw/zinc/72/97/24/525729724.db2.gz KJJQJJMRWYLFDX-UHFFFAOYSA-N 1 0 432.495 5.357 50 0 IKAARO Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2ccccc2Cl)c1C1CC[NH2+]CC1 ZINC000021018070 525750762 /nfs/dbraw/zinc/75/07/62/525750762.db2.gz XEIZUXSANRLKOW-UHFFFAOYSA-N 1 0 429.351 5.207 50 0 IKAARO Cc1ccc(-c2cccc3c(C(=O)N4CCC([NH+]5CCCCC5)CC4)cc(C)nc23)cc1 ZINC000015864392 525756057 /nfs/dbraw/zinc/75/60/57/525756057.db2.gz YHCFKSAHIRHFDO-UHFFFAOYSA-N 1 0 427.592 5.609 50 0 IKAARO Cc1ccc(-c2nnc([C@H](C)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)o2)cc1 ZINC000022800188 525860792 /nfs/dbraw/zinc/86/07/92/525860792.db2.gz LQCZNTDHMRIVKL-QFIPXVFZSA-N 1 0 438.575 5.513 50 0 IKAARO COc1cccc(C[N@@H+](CC(=O)N2CCS[C@H]2c2ccccc2Cl)CC(C)C)c1 ZINC000035843630 525920313 /nfs/dbraw/zinc/92/03/13/525920313.db2.gz OISVJDUJIGRRBM-QHCPKHFHSA-N 1 0 433.017 5.081 50 0 IKAARO COc1cccc(C[N@H+](CCC(C)C)Cc2cccn2Cc2cccc(C(F)(F)F)c2)c1 ZINC000035841198 525921122 /nfs/dbraw/zinc/92/11/22/525921122.db2.gz KCOAPNQUAJHQRZ-UHFFFAOYSA-N 1 0 444.541 6.612 50 0 IKAARO Cc1ccc(-n2ncc(C(=O)Nc3ccccc3C(F)(F)F)c2C2CC[NH2+]CC2)cc1C ZINC000020575038 525932437 /nfs/dbraw/zinc/93/24/37/525932437.db2.gz FCYFUOJFDQUXDH-UHFFFAOYSA-N 1 0 442.485 5.227 50 0 IKAARO Cc1ccc(C(=O)N(Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000012315218 526077353 /nfs/dbraw/zinc/07/73/53/526077353.db2.gz GLHRZXSNRXHRCU-UHFFFAOYSA-N 1 0 427.592 5.253 50 0 IKAARO Cc1ccc2c(c1)-c1c(c(C(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)nn1C)CS2 ZINC000021049288 526133351 /nfs/dbraw/zinc/13/33/51/526133351.db2.gz HQHINDGRUKOIOE-UHFFFAOYSA-N 1 0 432.593 5.239 50 0 IKAARO Cc1ccc2c(c1)-c1c(c(C(=O)Nc3ccc(C[NH+]4CCC(C)CC4)cc3)nn1C)CS2 ZINC000021049268 526133671 /nfs/dbraw/zinc/13/36/71/526133671.db2.gz MJIRPZUUKYLCTJ-UHFFFAOYSA-N 1 0 446.620 5.485 50 0 IKAARO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022785912 526183107 /nfs/dbraw/zinc/18/31/07/526183107.db2.gz BXMCUNCVLRHANP-SFHVURJKSA-N 1 0 432.955 5.422 50 0 IKAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000035569250 526213976 /nfs/dbraw/zinc/21/39/76/526213976.db2.gz IBNCSKDJHIAUMN-NQIIRXRSSA-N 1 0 433.379 5.295 50 0 IKAARO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2cccnc2)[NH+]2CCCCC2)cc1 ZINC000015859600 526217232 /nfs/dbraw/zinc/21/72/32/526217232.db2.gz RTUGLMZDEAWKMG-RUZDIDTESA-N 1 0 425.532 5.964 50 0 IKAARO Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCC(C)CC2)n3C)c1 ZINC000020893186 526247737 /nfs/dbraw/zinc/24/77/37/526247737.db2.gz JLMSRZKBZSWIFX-UHFFFAOYSA-N 1 0 448.611 5.255 50 0 IKAARO Cc1csc(C[NH2+]C2CCN(c3cccc(NC(=O)CCCc4ccccc4)c3)CC2)n1 ZINC000012246737 526355888 /nfs/dbraw/zinc/35/58/88/526355888.db2.gz SYYFWSAUAJCRMK-UHFFFAOYSA-N 1 0 448.636 5.172 50 0 IKAARO O=C(CCCCc1ccccc1)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011874090 526429674 /nfs/dbraw/zinc/42/96/74/526429674.db2.gz DHDGZIHOJSFZTO-MHZLTWQESA-N 1 0 447.667 5.868 50 0 IKAARO c1ccc(CNc2[nH+]ccc3c2c2ncnc(-c4ccccc4)c2n3Cc2ccccc2)cc1 ZINC000035930428 526472086 /nfs/dbraw/zinc/47/20/86/526472086.db2.gz BJYJXAPRMFIHDK-UHFFFAOYSA-N 1 0 441.538 6.307 50 0 IKAARO c1ccc(COc2ccc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)cc1 ZINC000022927290 526473924 /nfs/dbraw/zinc/47/39/24/526473924.db2.gz BFAGILBKTHWRQD-UHFFFAOYSA-N 1 0 448.610 6.173 50 0 IKAARO O=C(CC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1)NCc1ccccc1Cl ZINC000012305938 526554447 /nfs/dbraw/zinc/55/44/47/526554447.db2.gz MYEWOESSJMOTGC-IBGZPJMESA-N 1 0 436.987 5.039 50 0 IKAARO O=C(c1cc2occc2c(Nc2ccc(Cl)cc2)n1)N1CC[NH+](C2CCCCC2)CC1 ZINC000035503217 526645272 /nfs/dbraw/zinc/64/52/72/526645272.db2.gz KMKPPXPIGWBIEJ-UHFFFAOYSA-N 1 0 438.959 5.315 50 0 IKAARO O=C(c1ccc(F)cc1F)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000012191768 526691902 /nfs/dbraw/zinc/69/19/02/526691902.db2.gz UUXMEVWGWXCADV-HXUWFJFHSA-N 1 0 427.539 5.047 50 0 IKAARO O=C(c1ccc(F)cc1F)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000012191769 526692639 /nfs/dbraw/zinc/69/26/39/526692639.db2.gz UUXMEVWGWXCADV-FQEVSTJZSA-N 1 0 427.539 5.047 50 0 IKAARO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000012750533 526728146 /nfs/dbraw/zinc/72/81/46/526728146.db2.gz HUAUENYGNVPCLV-UHFFFAOYSA-N 1 0 429.564 5.151 50 0 IKAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[NH+]1CCC(OCc2ccccn2)CC1 ZINC000012306805 526730091 /nfs/dbraw/zinc/73/00/91/526730091.db2.gz ZWLULZYYFFMKRV-UHFFFAOYSA-N 1 0 431.458 5.245 50 0 IKAARO O=C(c1ccccn1)N([C@@H](Cc1ccccc1)C1CC[NH+](C[C@@H]2CC=CCC2)CC1)C1CC1 ZINC000012281346 526813315 /nfs/dbraw/zinc/81/33/15/526813315.db2.gz YKEKAGAVKIKMBH-YWEHKCAJSA-N 1 0 443.635 5.366 50 0 IKAARO O=C(c1ccccn1)N([C@@H](Cc1ccccc1)C1CC[NH+](C[C@H]2CC=CCC2)CC1)C1CC1 ZINC000012281344 526814041 /nfs/dbraw/zinc/81/40/41/526814041.db2.gz YKEKAGAVKIKMBH-CUBQBAPOSA-N 1 0 443.635 5.366 50 0 IKAARO [NH2+]=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000020237345 526846179 /nfs/dbraw/zinc/84/61/79/526846179.db2.gz NBNYRJGWLBVEIW-UHFFFAOYSA-N 1 0 428.319 5.170 50 0 IKAARO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012748967 526887371 /nfs/dbraw/zinc/88/73/71/526887371.db2.gz ZKPFDGFTSOIWBF-YADARESESA-N 1 0 447.629 5.443 50 0 IKAARO Clc1cccc(-c2ccc(C[N@H+]3CCc4nnc(CCc5ccccc5)n4CC3)o2)c1 ZINC000020780231 526970455 /nfs/dbraw/zinc/97/04/55/526970455.db2.gz LSJHTESIOUWSDW-UHFFFAOYSA-N 1 0 432.955 5.035 50 0 IKAARO O=C(C[C@@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1)NCC[NH+]1CCCCC1 ZINC000035888565 527098897 /nfs/dbraw/zinc/09/88/97/527098897.db2.gz FIMGDYRTNWCLBP-OAQYLSRUSA-N 1 0 443.513 5.311 50 0 IKAARO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000012473851 527141075 /nfs/dbraw/zinc/14/10/75/527141075.db2.gz HSNRGRJYMJCSCN-UHFFFAOYSA-N 1 0 427.504 5.051 50 0 IKAARO Cn1cc(C[NH+]2CCC([C@@H](O)c3ccccn3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012319952 527197108 /nfs/dbraw/zinc/19/71/08/527197108.db2.gz XARPBTFBQZWOLH-MUUNZHRXSA-N 1 0 444.623 5.475 50 0 IKAARO O=C(Nc1cccc(-c2ccco2)c1)C1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000012438598 527310098 /nfs/dbraw/zinc/31/00/98/527310098.db2.gz OGUZWDBGOGUJOR-UHFFFAOYSA-N 1 0 426.463 5.399 50 0 IKAARO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](Cc2cccc(-c3ccco3)c2)CC1 ZINC000012835842 527312571 /nfs/dbraw/zinc/31/25/71/527312571.db2.gz YKOPSUAVTLWBHH-UHFFFAOYSA-N 1 0 443.572 5.921 50 0 IKAARO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000012307972 527433842 /nfs/dbraw/zinc/43/38/42/527433842.db2.gz JMCDKRUGWXELCN-KOXUSJRISA-N 1 0 431.511 5.377 50 0 IKAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccccc1Cl ZINC000012707352 527461764 /nfs/dbraw/zinc/46/17/64/527461764.db2.gz DIRJIKFPJVSZAK-UHFFFAOYSA-N 1 0 429.351 5.279 50 0 IKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCCc3ccccc32)s1 ZINC000020985819 527531877 /nfs/dbraw/zinc/53/18/77/527531877.db2.gz IIUAWSFTGDCCME-UHFFFAOYSA-N 1 0 431.605 5.227 50 0 IKAARO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000020890026 527608797 /nfs/dbraw/zinc/60/87/97/527608797.db2.gz ZFTQXPYZNURBLD-UHFFFAOYSA-N 1 0 425.882 5.393 50 0 IKAARO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)Nc1ccccc1C(F)(F)F ZINC000020890018 527609949 /nfs/dbraw/zinc/60/99/49/527609949.db2.gz NDBQRBXYTZZSTB-UHFFFAOYSA-N 1 0 425.882 5.393 50 0 IKAARO O[C@@H](COc1ccccc1)C[N@H+](Cc1cccn1Cc1ccccc1F)Cc1ccccc1 ZINC000035840615 527661917 /nfs/dbraw/zinc/66/19/17/527661917.db2.gz OIZRDIIZVVXNGO-AREMUKBSSA-N 1 0 444.550 5.118 50 0 IKAARO O=C(C[NH+]1CCCCCC1)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000000754173 555553859 /nfs/dbraw/zinc/55/38/59/555553859.db2.gz UREVDDNGVVTZGZ-SANMLTNESA-N 1 0 433.640 5.785 50 0 IKAARO CCOc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000001448839 555699532 /nfs/dbraw/zinc/69/95/32/555699532.db2.gz ZPNVPXINAFMWKW-QHCPKHFHSA-N 1 0 438.593 6.184 50 0 IKAARO Fc1cccc(-c2nnc([C@H]3CC34CC[NH+](Cc3ccc(F)c5cccnc35)CC4)o2)c1 ZINC000071890565 555746858 /nfs/dbraw/zinc/74/68/58/555746858.db2.gz ZUVCDFUXUWPOSW-HXUWFJFHSA-N 1 0 432.474 5.333 50 0 IKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([NH2+]C5CCCCCCC5)C4=O)cc3)sc2c1 ZINC000002152642 555750054 /nfs/dbraw/zinc/75/00/54/555750054.db2.gz VFKPWYBLEXOGSV-QFIPXVFZSA-N 1 0 447.604 5.606 50 0 IKAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000002177973 555752686 /nfs/dbraw/zinc/75/26/86/555752686.db2.gz LOGJTFUBUPRCNQ-MRXNPFEDSA-N 1 0 444.344 6.027 50 0 IKAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000002177974 555752732 /nfs/dbraw/zinc/75/27/32/555752732.db2.gz DMEJWDPKCIUKQG-KRWDZBQOSA-N 1 0 426.354 5.888 50 0 IKAARO FC(F)(F)c1cccc(-[n+]2cc(-c3ccc(Br)cc3)n3c2CCCCC3)c1 ZINC000002546662 555787014 /nfs/dbraw/zinc/78/70/14/555787014.db2.gz RRJCMKGBQBCGGC-UHFFFAOYSA-N 1 0 436.295 5.940 50 0 IKAARO CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000034671595 555793005 /nfs/dbraw/zinc/79/30/05/555793005.db2.gz BZGNDTZUVYELPW-NSOVKSMOSA-N 1 0 442.603 5.436 50 0 IKAARO CCN(C)C(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2 ZINC000034671567 555793061 /nfs/dbraw/zinc/79/30/61/555793061.db2.gz ROOMXRGYCUNMFW-IDISGSTGSA-N 1 0 428.576 5.080 50 0 IKAARO CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000034671805 555793117 /nfs/dbraw/zinc/79/31/17/555793117.db2.gz DSRVWTDQIQUZFF-IDISGSTGSA-N 1 0 428.576 5.046 50 0 IKAARO Cc1cccc(C[N@H+]2CCc3ccc(OCC(=O)NC(C)C)cc3[C@H]2c2ccccc2)c1 ZINC000034671864 555793374 /nfs/dbraw/zinc/79/33/74/555793374.db2.gz JLKVSOOTEBSARA-MUUNZHRXSA-N 1 0 428.576 5.046 50 0 IKAARO Cc1cccc(C(=O)N2C[C@H](C[NH+]3CCCCC3)[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000034698023 555812083 /nfs/dbraw/zinc/81/20/83/555812083.db2.gz IPQYCIMNLFBKQG-GMAHTHKFSA-N 1 0 430.514 5.356 50 0 IKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](Cc3ccoc3)C[C@@H]2c2ccccc2)cc1 ZINC000034698959 555812445 /nfs/dbraw/zinc/81/24/45/555812445.db2.gz JCSKEPZSDKRCKX-KAYWLYCHSA-N 1 0 430.592 5.602 50 0 IKAARO Cc1ccc([C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000034699088 555812763 /nfs/dbraw/zinc/81/27/63/555812763.db2.gz DONBNZOENJWJPE-RSXGOPAZSA-N 1 0 432.633 5.823 50 0 IKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(C(=O)c3ccccc3)C(C)C)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000034699081 555812796 /nfs/dbraw/zinc/81/27/96/555812796.db2.gz GKXFADCWXQLVNI-VMPREFPWSA-N 1 0 440.631 6.070 50 0 IKAARO O=C(c1ccccc1)N(C[C@H]1C[N@H+](Cc2ccc[nH]2)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000034699018 555812836 /nfs/dbraw/zinc/81/28/36/555812836.db2.gz XTXXUZNVFNJAAJ-NAKRPHOHSA-N 1 0 441.619 5.705 50 0 IKAARO Cc1ccc(C[N@H+]2C[C@H](CN(C(=O)c3ccccc3)C(C)C)[C@@H](c3ccc(C)cc3)C2)o1 ZINC000034699095 555813973 /nfs/dbraw/zinc/81/39/73/555813973.db2.gz IPEOCWLBZFFVSE-XNMGPUDCSA-N 1 0 430.592 5.663 50 0 IKAARO CC(C)c1ccc(C[NH+]2CCN(c3ccc(NC(=O)/C=C/c4ccccc4)cn3)CC2)cc1 ZINC000034681549 555814502 /nfs/dbraw/zinc/81/45/02/555814502.db2.gz GJLLIRLURSIISK-XNTDXEJSSA-N 1 0 440.591 5.179 50 0 IKAARO CC[C@H](C(=O)Nc1ccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nc1)c1ccccc1 ZINC000034681881 555815679 /nfs/dbraw/zinc/81/56/79/555815679.db2.gz YOEQYGYNUOIKOB-VWLOTQADSA-N 1 0 446.570 5.065 50 0 IKAARO Cc1cccc(C(=O)Nc2ccc(N3CCC[N@H+](Cc4ccccc4Cl)CC3)nc2)c1 ZINC000034681859 555815697 /nfs/dbraw/zinc/81/56/97/555815697.db2.gz YFWJKMFNYFEUHH-UHFFFAOYSA-N 1 0 434.971 5.008 50 0 IKAARO Cc1ccc([C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000034699099 555815969 /nfs/dbraw/zinc/81/59/69/555815969.db2.gz FAVFHMFMHYJSGQ-CLJLJLNGSA-N 1 0 432.633 5.823 50 0 IKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccccc3)CC2)c1OC ZINC000034682462 555816363 /nfs/dbraw/zinc/81/63/63/555816363.db2.gz DWJXMDAMKLOJBH-UHFFFAOYSA-N 1 0 448.538 5.154 50 0 IKAARO O=C(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034682553 555816720 /nfs/dbraw/zinc/81/67/20/555816720.db2.gz WCIQOSRPQXNZEV-UHFFFAOYSA-N 1 0 440.921 5.930 50 0 IKAARO COc1ccc(OC)c(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(F)cc3)CC2)c1 ZINC000034682634 555816728 /nfs/dbraw/zinc/81/67/28/555816728.db2.gz UAYHKQRGZNEDCQ-UHFFFAOYSA-N 1 0 448.538 5.154 50 0 IKAARO CCCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000034682755 555817110 /nfs/dbraw/zinc/81/71/10/555817110.db2.gz YEVDEWFBHQJDEE-UHFFFAOYSA-N 1 0 446.566 6.416 50 0 IKAARO COc1cccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000034682689 555817184 /nfs/dbraw/zinc/81/71/84/555817184.db2.gz QFSOPSNPVNJWDK-UHFFFAOYSA-N 1 0 448.994 5.968 50 0 IKAARO COc1ccccc1C(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000034682985 555817800 /nfs/dbraw/zinc/81/78/00/555817800.db2.gz VKLPSSMBNDEBKN-UHFFFAOYSA-N 1 0 448.994 5.968 50 0 IKAARO COc1ccc(OC)c(C[NH+]2CCC(N(C(=O)c3ccccc3)c3cccc(C)c3)CC2)c1 ZINC000034683029 555818115 /nfs/dbraw/zinc/81/81/15/555818115.db2.gz QTZPGIXMDCNDMN-UHFFFAOYSA-N 1 0 444.575 5.324 50 0 IKAARO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000034683155 555818481 /nfs/dbraw/zinc/81/84/81/555818481.db2.gz QOIPZVLXAIAKSE-UHFFFAOYSA-N 1 0 440.996 5.722 50 0 IKAARO COc1cccc(N(C(=O)CC(C)C)C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000034683449 555818803 /nfs/dbraw/zinc/81/88/03/555818803.db2.gz JOHJKEFHTCGPBT-UHFFFAOYSA-N 1 0 448.529 5.758 50 0 IKAARO Cc1cccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000034683730 555819425 /nfs/dbraw/zinc/81/94/25/555819425.db2.gz PBXKZOGNQUALRO-UHFFFAOYSA-N 1 0 444.597 5.056 50 0 IKAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(C(=O)N(C)Cc3ccccc3)cc2)CC1 ZINC000034684958 555820620 /nfs/dbraw/zinc/82/06/20/555820620.db2.gz KLOSPZRMSRWPRO-UHFFFAOYSA-N 1 0 440.587 5.082 50 0 IKAARO Cc1cccc([C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccccc3)C[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000034711274 555824406 /nfs/dbraw/zinc/82/44/06/555824406.db2.gz ZJSKDGOQOFWAHE-BYXVTNLJSA-N 1 0 430.567 5.617 50 0 IKAARO Cc1cccc([C@@H]2C[C@@H](C(=O)NCCc3ccccc3)C[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000034711212 555824424 /nfs/dbraw/zinc/82/44/24/555824424.db2.gz YDMKWTYGMQDKGS-CLJLJLNGSA-N 1 0 430.567 5.099 50 0 IKAARO COc1ccc(NC(=O)[C@H]2C[C@@H](c3cccc(C)c3)C[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000034711270 555824455 /nfs/dbraw/zinc/82/44/55/555824455.db2.gz GSEIMQAEPFIHEQ-PKTZIBPZSA-N 1 0 432.539 5.387 50 0 IKAARO Cc1ccc(CNC(=O)c2ccc(C)nc2C2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000034730049 555869729 /nfs/dbraw/zinc/86/97/29/555869729.db2.gz IQYMBIYKRFWASK-UHFFFAOYSA-N 1 0 431.555 5.147 50 0 IKAARO Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c(C2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000034730106 555869738 /nfs/dbraw/zinc/86/97/38/555869738.db2.gz UFDNIFQKAXHHNG-GJZUVCINSA-N 1 0 449.614 5.704 50 0 IKAARO Fc1ccc(N2CC[NH+](CC[C@@H](Oc3ccc(F)cc3Cl)c3cccs3)CC2)cc1 ZINC000034726930 555882310 /nfs/dbraw/zinc/88/23/10/555882310.db2.gz OPXDYFDDWANVOQ-JOCHJYFZSA-N 1 0 448.966 6.012 50 0 IKAARO Fc1ccc(N2CC[NH+](CC[C@H](Oc3ccc(F)c(Cl)c3)c3cccs3)CC2)cc1 ZINC000034726904 555882327 /nfs/dbraw/zinc/88/23/27/555882327.db2.gz ZLBNPTUXTLTIJZ-QFIPXVFZSA-N 1 0 448.966 6.012 50 0 IKAARO Cc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccc(F)c(C)c2)c2ccc(F)cc2)CC1 ZINC000034740119 555883304 /nfs/dbraw/zinc/88/33/04/555883304.db2.gz ZQQWSWHWLFBIST-HHHXNRCGSA-N 1 0 436.546 5.914 50 0 IKAARO COc1cccc([C@H]2C[N@H+](Cc3ccsc3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740319 555883308 /nfs/dbraw/zinc/88/33/08/555883308.db2.gz AWVONRIQQGFJOA-ISKFKSNPSA-N 1 0 428.642 5.113 50 0 IKAARO Cc1cc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@H](c3cccc(F)c3)C2)oc1C ZINC000034740455 555883626 /nfs/dbraw/zinc/88/36/26/555883626.db2.gz CPBCGTTWUREHCM-DHLKQENFSA-N 1 0 428.592 5.392 50 0 IKAARO Cc1ccsc1C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@@H](CN(CC(C)C)C(=O)C(C)C)C1 ZINC000034740468 555883642 /nfs/dbraw/zinc/88/36/42/555883642.db2.gz QHFBKWCRDQTFGI-GGAORHGYSA-N 1 0 430.633 5.552 50 0 IKAARO COc1ccccc1[C@@H]1C[N@H+](Cc2cc(C)c(C)o2)C[C@H]1CN(CC(C)C)C(=O)C(C)C ZINC000034740601 555884059 /nfs/dbraw/zinc/88/40/59/555884059.db2.gz VUAJCQXHVVSRPJ-WIOPSUGQSA-N 1 0 440.628 5.261 50 0 IKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(C(=O)C3CCCC3)C(C)C)[C@H](c3ccc(F)cc3)C2)o1 ZINC000034760544 555904132 /nfs/dbraw/zinc/90/41/32/555904132.db2.gz UGQGMBVZTJYOJV-DHLKQENFSA-N 1 0 426.576 5.370 50 0 IKAARO CC(C)[NH+]1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)CC4CCCC4)cc32)CC1 ZINC000034790611 555916292 /nfs/dbraw/zinc/91/62/92/555916292.db2.gz WFZALHFEQLEFEJ-UHFFFAOYSA-N 1 0 446.595 5.415 50 0 IKAARO Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)c3ccccc32)cc1 ZINC000003804565 555946722 /nfs/dbraw/zinc/94/67/22/555946722.db2.gz WRNXUQJJCIZICJ-XMMPIXPASA-N 1 0 427.548 5.291 50 0 in-man IKAARO CCOc1cc(C[NH2+]Cc2ccccc2OCc2ccccc2)cc(Cl)c1OCC ZINC000004809928 556013140 /nfs/dbraw/zinc/01/31/40/556013140.db2.gz BWIFNSTVVGYMIY-UHFFFAOYSA-N 1 0 425.956 6.006 50 0 IKAARO CCOc1ccc([C@](O)(c2ccccc2OC)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000004867469 556016863 /nfs/dbraw/zinc/01/68/63/556016863.db2.gz ZDJGXDXVDUHJFM-IAPPQJPRSA-N 1 0 431.576 5.209 50 0 IKAARO CCOc1ccccc1NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000005654587 556061681 /nfs/dbraw/zinc/06/16/81/556061681.db2.gz RMEFVOUNNVWLPX-UHFFFAOYSA-N 1 0 428.576 5.792 50 0 IKAARO CC[NH+](CC)CCON(CCC(c1ccccc1)c1ccccc1)[C@@H](C)c1ccccc1 ZINC000006139177 556077122 /nfs/dbraw/zinc/07/71/22/556077122.db2.gz LFMPJPVRZAGMDH-VWLOTQADSA-N 1 0 430.636 6.545 50 0 IKAARO C[NH+](C)CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000002974811 556152838 /nfs/dbraw/zinc/15/28/38/556152838.db2.gz HOYNRYNNFWKOEM-UHFFFAOYSA-N 1 0 439.485 5.470 50 0 IKAARO CC(C)(C)c1ccc([C@@H]([NH+]2CCCCC2)[P@@](=O)(c2ccccc2)N2CCCCC2)cc1 ZINC000008306328 556156325 /nfs/dbraw/zinc/15/63/25/556156325.db2.gz NGUXLPQALAJFEY-HVNZXBJASA-N 1 0 438.596 6.558 50 0 IKAARO C(\c1ccccc1)=C1\CCCC2=C1O[C@@]1([NH+]3CCCCC3)CCCC[C@@H]1[C@H]2c1ccccc1 ZINC000008399489 556165297 /nfs/dbraw/zinc/16/52/97/556165297.db2.gz XHZACPFETSQKJX-WMGZSYJVSA-N 1 0 439.643 7.694 50 0 IKAARO CCCC[NH2+]Cc1ccc(OCC(=O)N(c2ccccc2)c2ccccc2)c(OCC)c1 ZINC000008437957 556173926 /nfs/dbraw/zinc/17/39/26/556173926.db2.gz OBTLJBQAMUXZCJ-UHFFFAOYSA-N 1 0 432.564 5.719 50 0 IKAARO CCOc1cc(C[NH2+]Cc2ccncc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000008437904 556174021 /nfs/dbraw/zinc/17/40/21/556174021.db2.gz UDOZJWJRQUAFRO-UHFFFAOYSA-N 1 0 445.332 5.251 50 0 IKAARO CCOc1ccc(OCc2cccc(C(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)c2)cc1 ZINC000008455213 556185638 /nfs/dbraw/zinc/18/56/38/556185638.db2.gz BLRXMCAGJQFGLR-UHFFFAOYSA-N 1 0 444.575 5.903 50 0 aggregator IKAARO Cc1ccccc1C[NH+]1CCC(CNc2ncnc3onc(-c4ccc(F)cc4)c32)CC1 ZINC000008595397 556190215 /nfs/dbraw/zinc/19/02/15/556190215.db2.gz ZCKPROQHYWJFMV-UHFFFAOYSA-N 1 0 431.515 5.056 50 0 IKAARO O[C@@H](C[NH2+]Cc1ccc(Cl)cc1Cl)Cn1c(-c2ccc(F)cc2)cc2ccccc21 ZINC000008616539 556192561 /nfs/dbraw/zinc/19/25/61/556192561.db2.gz UUMOCULGUBPZKO-NRFANRHFSA-N 1 0 443.349 5.905 50 0 IKAARO O[C@H](C[NH2+]Cc1ccc(Cl)cc1Cl)Cn1c(-c2ccc(F)cc2)cc2ccccc21 ZINC000008628943 556194165 /nfs/dbraw/zinc/19/41/65/556194165.db2.gz UUMOCULGUBPZKO-OAQYLSRUSA-N 1 0 443.349 5.905 50 0 IKAARO CC[NH+](CC)CCCn1c(-c2ccc(Br)cc2)cn2c3ccccc3nc21 ZINC000009008916 556240574 /nfs/dbraw/zinc/24/05/74/556240574.db2.gz CWVFZVHQIILBBG-UHFFFAOYSA-N 1 0 425.374 5.450 50 0 biogenic IKAARO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1OC1CCCC1 ZINC000009034247 556241922 /nfs/dbraw/zinc/24/19/22/556241922.db2.gz PALBNMBVMCQMAC-JOCHJYFZSA-N 1 0 436.596 5.300 50 0 IKAARO CC1(C)C[C@](CC[NH2+]Cc2ccc3c(c2)OCO3)(c2cccc(C(F)(F)F)c2)CCO1 ZINC000009452412 556292750 /nfs/dbraw/zinc/29/27/50/556292750.db2.gz NSPYYTLYXJEXFA-HSZRJFAPSA-N 1 0 435.486 5.441 50 0 IKAARO Cc1c(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)c2ccccc2n1C ZINC000011662028 556343611 /nfs/dbraw/zinc/34/36/11/556343611.db2.gz WKVLPSUPYFSSKX-UHFFFAOYSA-N 1 0 441.579 5.081 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3cccc(C(C)=O)c3)CC2)c1 ZINC000011662444 556343843 /nfs/dbraw/zinc/34/38/43/556343843.db2.gz MSPQKFCHQISMMO-UHFFFAOYSA-N 1 0 442.559 5.416 50 0 IKAARO COc1ccc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c(F)c1 ZINC000011667530 556346449 /nfs/dbraw/zinc/34/64/49/556346449.db2.gz GRYUSYZQBPFXIX-JOCHJYFZSA-N 1 0 425.592 5.276 50 0 IKAARO COc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c(F)c1 ZINC000011667525 556346488 /nfs/dbraw/zinc/34/64/88/556346488.db2.gz GRYUSYZQBPFXIX-QFIPXVFZSA-N 1 0 425.592 5.276 50 0 IKAARO COc1cccc(C[NH+]2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)c1 ZINC000011707205 556347693 /nfs/dbraw/zinc/34/76/93/556347693.db2.gz QVRXNKKPKMGROR-UHFFFAOYSA-N 1 0 442.987 5.064 50 0 IKAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)c(C)c1 ZINC000011753534 556348894 /nfs/dbraw/zinc/34/88/94/556348894.db2.gz FMRJTABDCCPCDD-SFHVURJKSA-N 1 0 434.502 5.653 50 0 IKAARO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](CC[C@@H](C)c2ccccc2)C3)c1OC ZINC000011815670 556358614 /nfs/dbraw/zinc/35/86/14/556358614.db2.gz JVUTYFVODYYMPZ-HXUWFJFHSA-N 1 0 447.575 5.768 50 0 IKAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](COc4ccc(F)cc4)C3)c(C)o2)c(OC)c1 ZINC000011816838 556359517 /nfs/dbraw/zinc/35/95/17/556359517.db2.gz KLQSEJKEUNSWFO-GOSISDBHSA-N 1 0 440.515 5.097 50 0 IKAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000011817533 556359960 /nfs/dbraw/zinc/35/99/60/556359960.db2.gz KZEOWSXVAUAYEZ-UHFFFAOYSA-N 1 0 430.523 5.436 50 0 IKAARO CC[N@H+](Cc1cnn(C)c1)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000011817443 556360157 /nfs/dbraw/zinc/36/01/57/556360157.db2.gz VNBLOCYIQHEWQR-UHFFFAOYSA-N 1 0 425.536 5.100 50 0 IKAARO c1c(C[NH2+]CC(c2ccccc2)c2ccccc2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000014070268 556360791 /nfs/dbraw/zinc/36/07/91/556360791.db2.gz RZVKDGAIBAFGCF-UHFFFAOYSA-N 1 0 430.555 5.856 50 0 IKAARO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000011822112 556363399 /nfs/dbraw/zinc/36/33/99/556363399.db2.gz ZRODOPSSDNYMBX-GOSISDBHSA-N 1 0 439.943 5.414 50 0 IKAARO CCCn1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)c1C ZINC000011842703 556365884 /nfs/dbraw/zinc/36/58/84/556365884.db2.gz DYQBWWMEEZQGHA-JOCHJYFZSA-N 1 0 446.595 5.128 50 0 IKAARO COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4[nH]c5ccc(C)cc5c4C)CC3)on2)c1 ZINC000011843790 556366718 /nfs/dbraw/zinc/36/67/18/556366718.db2.gz POSRJOFEAGZUPJ-UHFFFAOYSA-N 1 0 445.563 5.018 50 0 IKAARO O=C(CCCCc1ccccc1)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011874089 556370200 /nfs/dbraw/zinc/37/02/00/556370200.db2.gz DHDGZIHOJSFZTO-HHHXNRCGSA-N 1 0 447.667 5.868 50 0 IKAARO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(NCc2coc(-c3cccs3)n2)n1 ZINC000014129593 556374558 /nfs/dbraw/zinc/37/45/58/556374558.db2.gz ZCQLLSMFTPYXLO-UHFFFAOYSA-N 1 0 427.599 5.479 50 0 IKAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)C2CCCCCC2)CC1 ZINC000011936933 556379174 /nfs/dbraw/zinc/37/91/74/556379174.db2.gz PGOZTJBWKJSHQH-UHFFFAOYSA-N 1 0 433.640 5.601 50 0 IKAARO O=C(CCCc1ccccc1)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011937064 556379197 /nfs/dbraw/zinc/37/91/97/556379197.db2.gz XMGZMLYRFJPZQI-SANMLTNESA-N 1 0 433.640 5.478 50 0 IKAARO OC[C@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000011949054 556380447 /nfs/dbraw/zinc/38/04/47/556380447.db2.gz LRWVCSHHXZZASV-QHCPKHFHSA-N 1 0 430.976 5.420 50 0 IKAARO COc1ccc([C@@H](CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)[NH+](C)C)cc1 ZINC000014183330 556383533 /nfs/dbraw/zinc/38/35/33/556383533.db2.gz KNUQPYSUSIYRQG-XMMPIXPASA-N 1 0 441.531 5.050 50 0 IKAARO CN(C(=O)c1cccs1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000011999182 556385384 /nfs/dbraw/zinc/38/53/84/556385384.db2.gz WAIHCTDBXZQCIL-XMMPIXPASA-N 1 0 436.596 5.483 50 0 IKAARO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2Cc2cccc(C(F)(F)F)c2)C1 ZINC000012042275 556391519 /nfs/dbraw/zinc/39/15/19/556391519.db2.gz MVCBYXXLBOAENG-HEMBGHPDSA-N 1 0 442.525 5.622 50 0 IKAARO O=C(c1ccco1)N([C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccccc2F)CC1)C1CC1 ZINC000012054713 556393469 /nfs/dbraw/zinc/39/34/69/556393469.db2.gz SWVBUZIDQVFHLK-SANMLTNESA-N 1 0 446.566 5.547 50 0 IKAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000012072697 556396042 /nfs/dbraw/zinc/39/60/42/556396042.db2.gz RLOMHVISXVPLNN-UHFFFAOYSA-N 1 0 433.458 5.144 50 0 IKAARO O=C(CCCc1ccccc1)Nc1ccnn1C1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000012073527 556396484 /nfs/dbraw/zinc/39/64/84/556396484.db2.gz WEUMXDIIBFODCP-SANMLTNESA-N 1 0 442.607 5.039 50 0 IKAARO CCn1nc(C)c(C[NH2+]Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)c1C ZINC000012073533 556396494 /nfs/dbraw/zinc/39/64/94/556396494.db2.gz MIRVHLDDMZHPHP-UHFFFAOYSA-N 1 0 435.522 5.249 50 0 IKAARO Cc1nc(C)c(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)nc1C ZINC000012074202 556396884 /nfs/dbraw/zinc/39/68/84/556396884.db2.gz ZDYJJMXGLWRTOA-UHFFFAOYSA-N 1 0 448.998 5.573 50 0 IKAARO COc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)cc1O ZINC000012076315 556397881 /nfs/dbraw/zinc/39/78/81/556397881.db2.gz JYIBNTVUDHDKHK-UHFFFAOYSA-N 1 0 434.511 5.058 50 0 IKAARO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(CCC(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000012429257 556404272 /nfs/dbraw/zinc/40/42/72/556404272.db2.gz FBLJHHAYKSRALQ-UHFFFAOYSA-N 1 0 432.568 5.025 50 0 IKAARO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027992652 556440420 /nfs/dbraw/zinc/44/04/20/556440420.db2.gz PDASQOLIHRNOIQ-MRXNPFEDSA-N 1 0 433.371 5.132 50 0 IKAARO c1csc([C@H](CNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)[NH+]2CCCC2)c1 ZINC000013030159 556442190 /nfs/dbraw/zinc/44/21/90/556442190.db2.gz ATOZNYIIEKJYJU-SFHVURJKSA-N 1 0 447.633 5.553 50 0 IKAARO C[N@H+](CCC12CC3CC(CC(C3)C1)C2)[C@H]1CCC(=O)N(Cc2ccc(F)c(F)c2)CC1 ZINC000014879933 556453200 /nfs/dbraw/zinc/45/32/00/556453200.db2.gz BUJNNSLAQOJDTF-HNUKHCCRSA-N 1 0 430.583 5.384 50 0 IKAARO COc1cc2cc(C[NH2+]Cc3ccccc3F)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000014961910 556464189 /nfs/dbraw/zinc/46/41/89/556464189.db2.gz FAVCYOAHJLORKZ-UHFFFAOYSA-N 1 0 438.543 5.028 50 0 IKAARO CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000014962814 556464663 /nfs/dbraw/zinc/46/46/63/556464663.db2.gz HAVDQUGPQJCHMC-UHFFFAOYSA-N 1 0 444.497 5.575 50 0 IKAARO O=C(c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)N1CCc2sccc2C1 ZINC000014963831 556465043 /nfs/dbraw/zinc/46/50/43/556465043.db2.gz BSNCIBAEJHGQLU-UHFFFAOYSA-N 1 0 446.616 5.033 50 0 IKAARO O=C(NCc1cccs1)[C@@H]1CC12CC[NH+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000014966697 556465759 /nfs/dbraw/zinc/46/57/59/556465759.db2.gz TUIRLYNSVDOOTI-VWLOTQADSA-N 1 0 428.601 5.238 50 0 IKAARO Cc1c([C@H](C)[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)cnn1-c1cccc2ccccc21 ZINC000014971518 556467189 /nfs/dbraw/zinc/46/71/89/556467189.db2.gz SABZAWKXYNWEKX-SFHVURJKSA-N 1 0 425.511 5.510 50 0 IKAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000014972427 556467342 /nfs/dbraw/zinc/46/73/42/556467342.db2.gz JPDAOKXKACRBSZ-VWLOTQADSA-N 1 0 445.607 5.010 50 0 IKAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccc(-c3ccco3)c2)CC1)c1ccccc1 ZINC000014975281 556467982 /nfs/dbraw/zinc/46/79/82/556467982.db2.gz BLVXIWZPWIMUJV-UHFFFAOYSA-N 1 0 426.520 5.233 50 0 IKAARO COc1cc2cc(C[NH2+]Cc3cccc(F)c3)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000014995530 556477597 /nfs/dbraw/zinc/47/75/97/556477597.db2.gz CNJQNDFPQOTPAD-UHFFFAOYSA-N 1 0 438.543 5.028 50 0 IKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 ZINC000013133949 556481791 /nfs/dbraw/zinc/48/17/91/556481791.db2.gz VRFIOUFAGYMSTB-OAHLLOKOSA-N 1 0 433.021 5.289 50 0 IKAARO COc1ccccc1[C@@H](CNc1ncnc2scc(-c3ccccc3)c21)[NH+]1CCCC1 ZINC000013137300 556484358 /nfs/dbraw/zinc/48/43/58/556484358.db2.gz FNKXBWUKFHEBTM-OAQYLSRUSA-N 1 0 430.577 5.616 50 0 IKAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[NH2+]C(c2ccccc2)c2ccccc2)C(=O)CCC1 ZINC000013138017 556485013 /nfs/dbraw/zinc/48/50/13/556485013.db2.gz COSFDBHTQGGMSC-HSZRJFAPSA-N 1 0 438.571 5.209 50 0 IKAARO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[NH2+]C2CCCCC2)cc1 ZINC000013146601 556488674 /nfs/dbraw/zinc/48/86/74/556488674.db2.gz AZLIJBXIYNQDQZ-MHZLTWQESA-N 1 0 441.575 5.448 50 0 IKAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+]([C@H](C)Cc2cc(C)ccn2)CC1 ZINC000015072907 556497295 /nfs/dbraw/zinc/49/72/95/556497295.db2.gz CJJJPTQWCVUPDN-LJQANCHMSA-N 1 0 448.529 5.228 50 0 IKAARO O=C(NC1CCCC1)c1ccc(OC2CC[NH+](C3Cc4ccccc4C3)CC2)c(Cl)c1 ZINC000015073750 556497737 /nfs/dbraw/zinc/49/77/37/556497737.db2.gz NYROKECCGZQLHM-UHFFFAOYSA-N 1 0 438.999 5.023 50 0 IKAARO c1nn(-c2ccccn2)c2c1[C@@H]([NH2+]Cc1cn(-c3ccccc3)nc1-c1ccccc1)CCC2 ZINC000015075022 556498877 /nfs/dbraw/zinc/49/88/77/556498877.db2.gz QXIDJIQGQGBYKM-VWLOTQADSA-N 1 0 446.558 5.287 50 0 IKAARO COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3ccc4ccccc4c3)C[C@@H]21 ZINC000013644708 556543223 /nfs/dbraw/zinc/54/32/23/556543223.db2.gz ZVILGAXNYAHJKT-VWLOTQADSA-N 1 0 441.575 5.592 50 0 IKAARO C[C@@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H](C)C1(O)Cc1ccccc1 ZINC000015800052 556552820 /nfs/dbraw/zinc/55/28/20/556552820.db2.gz NATCMOXDTBVZOU-BRUHTKEMSA-N 1 0 440.414 6.625 50 0 IKAARO CCN(Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000072305239 556553197 /nfs/dbraw/zinc/55/31/97/556553197.db2.gz ZMMYPVCFIDQKQL-OAQYLSRUSA-N 1 0 447.604 5.132 50 0 IKAARO CCN(Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000072305238 556553386 /nfs/dbraw/zinc/55/33/86/556553386.db2.gz ZMMYPVCFIDQKQL-NRFANRHFSA-N 1 0 447.604 5.132 50 0 IKAARO CC1CC[NH+]([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)c2cccs2)CC1 ZINC000015859988 556558514 /nfs/dbraw/zinc/55/85/14/556558514.db2.gz FLWNQQWABXADJB-QHCPKHFHSA-N 1 0 449.620 5.485 50 0 IKAARO CC1CC[NH+]([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)c2cccs2)CC1 ZINC000015859989 556558594 /nfs/dbraw/zinc/55/85/94/556558594.db2.gz FLWNQQWABXADJB-HSZRJFAPSA-N 1 0 449.620 5.485 50 0 IKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000015906416 556562778 /nfs/dbraw/zinc/56/27/78/556562778.db2.gz IBNCSKDJHIAUMN-GHTZIAJQSA-N 1 0 433.379 5.295 50 0 IKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4)cc2)N3)C1 ZINC000015946363 556567342 /nfs/dbraw/zinc/56/73/42/556567342.db2.gz YOQMTSMSLAIEBI-HSZRJFAPSA-N 1 0 433.577 5.523 50 0 IKAARO CCC[NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CC[C@H](C(C)(C)C)C2 ZINC000015946736 556567734 /nfs/dbraw/zinc/56/77/34/556567734.db2.gz DDJKJUJZGZWOMY-KRWDZBQOSA-N 1 0 441.641 5.398 50 0 IKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 ZINC000015947311 556568082 /nfs/dbraw/zinc/56/80/82/556568082.db2.gz ZJOVISRHJIDLBY-LJQANCHMSA-N 1 0 448.375 6.122 50 0 IKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 ZINC000015947309 556568130 /nfs/dbraw/zinc/56/81/30/556568130.db2.gz ZJOVISRHJIDLBY-IBGZPJMESA-N 1 0 448.375 6.122 50 0 IKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(C)cc4)cc2)N3)C1 ZINC000015947410 556568335 /nfs/dbraw/zinc/56/83/35/556568335.db2.gz NCRSCDSWXAYGHR-QFIPXVFZSA-N 1 0 447.560 5.083 50 0 IKAARO COc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccccc2-3)cc1 ZINC000015973764 556570343 /nfs/dbraw/zinc/57/03/43/556570343.db2.gz KMZJWZKHQPPHCT-UHFFFAOYSA-N 1 0 432.341 5.291 50 0 IKAARO OC1(c2ccc(Br)cc2)CC[NH+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000023280119 556576636 /nfs/dbraw/zinc/57/66/36/556576636.db2.gz HSXJLGZQGHUQMB-UHFFFAOYSA-N 1 0 434.377 5.504 50 0 IKAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc3oc(C)c(-c4ccccc4)c3cc2OC)C1 ZINC000022077678 556577900 /nfs/dbraw/zinc/57/79/00/556577900.db2.gz GTLYIXATMVSPGU-OAQYLSRUSA-N 1 0 434.580 5.497 50 0 IKAARO COc1ccc(C[NH+]2CCC(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022241716 556578191 /nfs/dbraw/zinc/57/81/91/556578191.db2.gz MZIAMABCNPZHMN-UHFFFAOYSA-N 1 0 442.603 5.246 50 0 IKAARO CCOc1ccc([C@](O)(Cc2ccccc2)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004584096 556590652 /nfs/dbraw/zinc/59/06/52/556590652.db2.gz NPCXGPLIJVVWJP-FQLXRVMXSA-N 1 0 429.604 5.785 50 0 IKAARO COc1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1OCc1ccc(Cl)cc1Cl ZINC000016228257 556593497 /nfs/dbraw/zinc/59/34/97/556593497.db2.gz YSYTWJYPALNCND-UHFFFAOYSA-N 1 0 446.330 5.600 50 0 IKAARO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000032974934 556596827 /nfs/dbraw/zinc/59/68/27/556596827.db2.gz BYRMJGIRFXVSEL-QHCPKHFHSA-N 1 0 444.623 5.161 50 0 IKAARO FC(F)(F)c1cccc(NC(=S)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000016346409 556601348 /nfs/dbraw/zinc/60/13/48/556601348.db2.gz WRJLPALCZTVIJH-UHFFFAOYSA-N 1 0 429.511 5.373 50 0 IKAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000032983805 556602613 /nfs/dbraw/zinc/60/26/13/556602613.db2.gz NQLUWRSAOAOTAO-LJQANCHMSA-N 1 0 427.907 5.009 50 0 IKAARO CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)NCC[NH+]3CCC(C)CC3)cc21 ZINC000032986724 556606487 /nfs/dbraw/zinc/60/64/87/556606487.db2.gz HRPJNTIRCWLOCL-UHFFFAOYSA-N 1 0 431.580 5.071 50 0 IKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000005043719 556627074 /nfs/dbraw/zinc/62/70/74/556627074.db2.gz WWNKJJFBECLTRV-UHFFFAOYSA-N 1 0 429.992 5.354 50 0 IKAARO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)NCCC4=CCCCC4)C3)c(C)o2)cc1 ZINC000005056131 556628059 /nfs/dbraw/zinc/62/80/59/556628059.db2.gz IWZXIILEZCMESX-XMMPIXPASA-N 1 0 435.612 5.431 50 0 IKAARO COc1ccc([C@@H](C)[NH2+]CC(=O)N(Cc2ccco2)C2=CCCCC2)cc1Br ZINC000016695675 556628929 /nfs/dbraw/zinc/62/89/29/556628929.db2.gz AVYREQUHAFEWKR-MRXNPFEDSA-N 1 0 447.373 5.188 50 0 IKAARO COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3ccccc3Cl)C[C@H]21 ZINC000005091732 556633715 /nfs/dbraw/zinc/63/37/15/556633715.db2.gz NXPJETGVRHQEDV-OAQYLSRUSA-N 1 0 425.960 5.093 50 0 IKAARO COc1ccc([C@](O)(CCc2ccccc2)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000005152865 556643187 /nfs/dbraw/zinc/64/31/87/556643187.db2.gz IOIGVAUFZBFTFN-URLMMPGGSA-N 1 0 429.604 5.785 50 0 IKAARO CCc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3cccc(OC)c3)CC2)cc1 ZINC000037587685 556645908 /nfs/dbraw/zinc/64/59/08/556645908.db2.gz VVPPXMGMJKRXAA-UHFFFAOYSA-N 1 0 428.576 5.569 50 0 IKAARO CCOc1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)ccc1OC ZINC000042925969 556660097 /nfs/dbraw/zinc/66/00/97/556660097.db2.gz PQDMCVRJXOYHHA-QGZVFWFLSA-N 1 0 427.495 5.142 50 0 IKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000248081812 556661094 /nfs/dbraw/zinc/66/10/94/556661094.db2.gz JTQNFLGWCQNANH-AZGAKELHSA-N 1 0 432.633 5.823 50 0 IKAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 ZINC000043125056 556661225 /nfs/dbraw/zinc/66/12/25/556661225.db2.gz QQJULMBGCKMTGL-KRWDZBQOSA-N 1 0 441.959 5.136 50 0 IKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc[nH]2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000248120866 556665016 /nfs/dbraw/zinc/66/50/16/556665016.db2.gz XPMZOHXHEZSRQC-BKMJKUGQSA-N 1 0 433.571 5.229 50 0 IKAARO Cc1ccc([C@@H]2C[N@@H+](Cc3cccn3C)C[C@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000248136229 556668912 /nfs/dbraw/zinc/66/89/12/556668912.db2.gz OTBQZSDHSBFOAD-BDYUSTAISA-N 1 0 429.608 5.100 50 0 IKAARO COc1ccc([C@@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)[NH+]2CCCCCC2)cc1 ZINC000011916626 556673271 /nfs/dbraw/zinc/67/32/71/556673271.db2.gz PZRZICGHCBXCAB-HSZRJFAPSA-N 1 0 445.003 5.078 50 0 IKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000248236235 556676758 /nfs/dbraw/zinc/67/67/58/556676758.db2.gz MTFSYEJGJHCSJB-OZXSUGGESA-N 1 0 445.582 5.235 50 0 IKAARO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)cc2)CC1 ZINC000032936093 556677981 /nfs/dbraw/zinc/67/79/81/556677981.db2.gz GFHDTYJNLZIJAT-UHFFFAOYSA-N 1 0 437.584 5.196 50 0 IKAARO c1ccc(CCc2[nH]c3ccccc3c2CC[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000071767003 556693837 /nfs/dbraw/zinc/69/38/37/556693837.db2.gz CHBAEXYDIMNNIL-UHFFFAOYSA-N 1 0 444.622 7.198 50 0 IKAARO C[NH+]1CCC([C@H]2Oc3ccc(F)cc3Sc3ccc(SC(F)(F)F)cc32)CC1 ZINC000033885921 556719840 /nfs/dbraw/zinc/71/98/40/556719840.db2.gz HQROLBVCISYESA-LJQANCHMSA-N 1 0 429.504 6.364 50 0 IKAARO Cc1cc(-c2csc3ncnc(N4CC[NH+](Cc5ccccc5)CC4)c23)cc(C)c1C ZINC000054235497 556729412 /nfs/dbraw/zinc/72/94/12/556729412.db2.gz RXIYIAJXICDNGE-UHFFFAOYSA-N 1 0 428.605 5.606 50 0 IKAARO COc1cc2nc(-c3ccccc3)c(C[NH2+][C@@H](C)c3cccs3)cc2c(OC)c1OC ZINC000055042454 556732598 /nfs/dbraw/zinc/73/25/98/556732598.db2.gz JDUDVIVGEBKZFF-INIZCTEOSA-N 1 0 434.561 5.840 50 0 IKAARO Clc1cc2c(cc1CN(Cc1cccnc1)CC1CC[NH+](C3CCCC3)CC1)OCO2 ZINC000055197931 556737210 /nfs/dbraw/zinc/73/72/10/556737210.db2.gz FTPDNKOOBBJIBD-UHFFFAOYSA-N 1 0 442.003 5.121 50 0 IKAARO COc1ccc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)cc1OC ZINC000055254225 556738951 /nfs/dbraw/zinc/73/89/51/556738951.db2.gz XWQOTDKUAALVKE-XMMPIXPASA-N 1 0 437.628 5.146 50 0 IKAARO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000055529314 556741857 /nfs/dbraw/zinc/74/18/57/556741857.db2.gz VVHXYCWQNPUQSI-UHFFFAOYSA-N 1 0 427.592 5.559 50 0 IKAARO CC(C)(C)c1ccc(C[NH+]2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000019364226 556745598 /nfs/dbraw/zinc/74/55/98/556745598.db2.gz MOYGZHXDRJNJEP-MHZLTWQESA-N 1 0 433.039 6.545 50 0 world IKAARO O=C(CCN1CC[N@@H+]2CCCC[C@H]2C1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000019362821 556745697 /nfs/dbraw/zinc/74/56/97/556745697.db2.gz UDGRQZRWGPZOAJ-SFHVURJKSA-N 1 0 428.001 5.030 50 0 IKAARO Cc1ccc(Cl)cc1N1CC[NH+](Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000058373015 556783808 /nfs/dbraw/zinc/78/38/08/556783808.db2.gz KXIDYWKVNDEFNW-UHFFFAOYSA-N 1 0 429.048 6.271 50 0 IKAARO COc1ccccc1[C@]1(CC[NH2+]Cc2ccc(OC(C)C)cc2)CCO[C@@H](C(C)C)C1 ZINC000005399509 556797444 /nfs/dbraw/zinc/79/74/44/556797444.db2.gz IQUJHWGJJULTIB-KAYWLYCHSA-N 1 0 425.613 5.735 50 0 IKAARO COc1ccccc1[C@@]1(CC[NH2+]Cc2ccc(OC(C)C)cc2)CCO[C@@H](C(C)C)C1 ZINC000005399496 556797565 /nfs/dbraw/zinc/79/75/65/556797565.db2.gz IQUJHWGJJULTIB-SXOMAYOGSA-N 1 0 425.613 5.735 50 0 IKAARO CC(C)Oc1ccc([C@H](CC[NH2+][C@H](C)c2ccc(Cl)cc2)c2ccc(F)cc2)cc1 ZINC000005501246 556820061 /nfs/dbraw/zinc/82/00/61/556820061.db2.gz HWPUVKJLWUXEAN-NIYFSFCBSA-N 1 0 425.975 7.139 50 0 IKAARO CC(C)C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068921 556836171 /nfs/dbraw/zinc/83/61/71/556836171.db2.gz AQOOWTPIKCNRNE-UHFFFAOYSA-N 1 0 437.996 5.735 50 0 IKAARO CCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033069032 556839535 /nfs/dbraw/zinc/83/95/35/556839535.db2.gz IQWZBFAXISNYRI-UHFFFAOYSA-N 1 0 449.595 6.098 50 0 IKAARO Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008863043 556851535 /nfs/dbraw/zinc/85/15/35/556851535.db2.gz ZKWYYUHVHAYRTF-FQEVSTJZSA-N 1 0 444.000 5.712 50 0 IKAARO CCCC[N@H+](CC)CCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc21 ZINC000004675742 556872410 /nfs/dbraw/zinc/87/24/10/556872410.db2.gz LFMHVBJJYSRTHG-UHFFFAOYSA-N 1 0 433.596 5.542 50 0 IKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc21 ZINC000004675852 556872440 /nfs/dbraw/zinc/87/24/40/556872440.db2.gz KHSSZKQIUQCZAX-QHCPKHFHSA-N 1 0 429.608 5.903 50 0 IKAARO CCC[NH+](CCC)CCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc21 ZINC000004675739 556872455 /nfs/dbraw/zinc/87/24/55/556872455.db2.gz SCHRAVSULBITLU-UHFFFAOYSA-N 1 0 433.596 5.542 50 0 IKAARO COc1ccc(CN2C(=O)c3ccccc3[C@H]2[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004676895 556872893 /nfs/dbraw/zinc/87/28/93/556872893.db2.gz CPLKMMGVQMTAPZ-RKYVTRPCSA-N 1 0 430.592 5.544 50 0 IKAARO Cn1cc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000019740176 556879860 /nfs/dbraw/zinc/87/98/60/556879860.db2.gz XEVIGLROUZFLSU-HSZRJFAPSA-N 1 0 429.543 5.215 50 0 IKAARO CC[NH+](CC)CC[C@]1(c2ccccc2)c2ccccc2N(N(C)Cc2cccs2)C1=O ZINC000071767369 556887410 /nfs/dbraw/zinc/88/74/10/556887410.db2.gz GVQTYFMGGKJAGY-SANMLTNESA-N 1 0 433.621 5.160 50 0 IKAARO CC[N@H+](CCCC[C@@]1(c2ccccc2)c2ccccc2N(N(C)C)C1=O)Cc1ccccc1 ZINC000071767309 556887524 /nfs/dbraw/zinc/88/75/24/556887524.db2.gz YFZFZPFFJRSSNM-GDLZYMKVSA-N 1 0 441.619 5.488 50 0 IKAARO CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2Nc2ccnc3c2cccc3C(F)(F)F)C1 ZINC000071770914 556888053 /nfs/dbraw/zinc/88/80/53/556888053.db2.gz UHAUAYGYPVRSST-INIZCTEOSA-N 1 0 442.485 5.211 50 0 IKAARO COc1cc2c(cc1CN1CC[NH+](Cc3ccccc3)CC1)oc(C)c2-c1ccccc1 ZINC000019771251 556913041 /nfs/dbraw/zinc/91/30/41/556913041.db2.gz RQIUJKJPQZDZJX-UHFFFAOYSA-N 1 0 426.560 5.735 50 0 IKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4ccc(SC)cc4)CC3)ccc21 ZINC000019781837 556913601 /nfs/dbraw/zinc/91/36/01/556913601.db2.gz UMROKTJPJVSMQQ-UHFFFAOYSA-N 1 0 429.633 5.854 50 0 IKAARO Nc1c(Cl)cc([C@H](O)C[NH2+][C@H]2c3ccccc3CSc3ccccc32)cc1Cl ZINC000019801903 556917833 /nfs/dbraw/zinc/91/78/33/556917833.db2.gz JQXZAVXODXQBDJ-KNQAVFIVSA-N 1 0 431.388 5.594 50 0 IKAARO CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019808872 556918483 /nfs/dbraw/zinc/91/84/83/556918483.db2.gz WJZJPXVHFDBUDQ-FQEVSTJZSA-N 1 0 441.575 5.026 50 0 IKAARO CCCCCOc1ccc([C@@](O)(CC(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000019851220 556930595 /nfs/dbraw/zinc/93/05/95/556930595.db2.gz FVWAVGXBYNLLFE-NSOVKSMOSA-N 1 0 439.640 5.605 50 0 IKAARO CCCCCOc1ccc([C@@](O)(CC(C)C)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000019851227 556930694 /nfs/dbraw/zinc/93/06/94/556930694.db2.gz FVWAVGXBYNLLFE-IZLXSDGUSA-N 1 0 439.640 5.605 50 0 IKAARO O=C(NCc1ccc(Cl)cc1Cl)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019850256 556930700 /nfs/dbraw/zinc/93/07/00/556930700.db2.gz FZGDHIQRAHPRAY-UHFFFAOYSA-N 1 0 425.359 5.482 50 0 IKAARO COc1ccc(CN2CC[NH+](CCCc3ccccc3)CC2)cc1OCc1ccccc1 ZINC000019900068 556941673 /nfs/dbraw/zinc/94/16/73/556941673.db2.gz QERBRLODQHLNMO-UHFFFAOYSA-N 1 0 430.592 5.025 50 0 IKAARO CC1=C(C)[C@H](OC2CC[NH+](Cc3ccccc3)CC2)N(CCc2ccc(Cl)cc2)C1=O ZINC000020146043 556990699 /nfs/dbraw/zinc/99/06/99/556990699.db2.gz PZOBURSZJVEHCU-SANMLTNESA-N 1 0 438.999 5.068 50 0 IKAARO Fc1cccc(F)c1-c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000020210170 556998586 /nfs/dbraw/zinc/99/85/86/556998586.db2.gz GRZJBKIQVYSHKH-CYBMUJFWSA-N 1 0 431.870 5.117 50 0 IKAARO COc1ccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c(OC)c1 ZINC000020241906 557002350 /nfs/dbraw/zinc/00/23/50/557002350.db2.gz NJAUGBBNFODJLW-UHFFFAOYSA-N 1 0 444.575 5.411 50 0 IKAARO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020367349 557012224 /nfs/dbraw/zinc/01/22/24/557012224.db2.gz MEGFRALQKJWJLX-UHFFFAOYSA-N 1 0 426.000 6.150 50 0 IKAARO O=C(NC1CCCCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000046055432 557027290 /nfs/dbraw/zinc/02/72/90/557027290.db2.gz TZJCXUXEAFGLHV-UHFFFAOYSA-N 1 0 443.635 5.741 50 0 IKAARO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055493 557027311 /nfs/dbraw/zinc/02/73/11/557027311.db2.gz IOUDINSMKGCWNF-LJQANCHMSA-N 1 0 438.015 5.470 50 0 IKAARO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055579 557027358 /nfs/dbraw/zinc/02/73/58/557027358.db2.gz MIJILLJNTANAMO-LJQANCHMSA-N 1 0 438.015 5.470 50 0 IKAARO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055683 557027426 /nfs/dbraw/zinc/02/74/26/557027426.db2.gz BVEZEEDTQLRNPP-LJQANCHMSA-N 1 0 438.015 5.470 50 0 IKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)cc3ccccc32)c1 ZINC000046055856 557027692 /nfs/dbraw/zinc/02/76/92/557027692.db2.gz WOLFWQVJTORNTE-UHFFFAOYSA-N 1 0 443.635 5.613 50 0 IKAARO COc1cc(C[NH2+]C[C@@H](c2cccs2)N2CCCC2)ccc1OCc1cccs1 ZINC000022933704 557051215 /nfs/dbraw/zinc/05/12/15/557051215.db2.gz QQEPEIVRONVDIH-FQEVSTJZSA-N 1 0 428.623 5.324 50 0 IKAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000022936841 557053052 /nfs/dbraw/zinc/05/30/52/557053052.db2.gz BANBPNNLXARKHO-LJQANCHMSA-N 1 0 437.809 5.255 50 0 IKAARO C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1Br ZINC000017312613 557055870 /nfs/dbraw/zinc/05/58/70/557055870.db2.gz METMWUXNQIVPMG-GOSISDBHSA-N 1 0 447.380 5.607 50 0 IKAARO COc1cc([C@@H](C)[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)ccc1OCCO ZINC000048285680 557057858 /nfs/dbraw/zinc/05/78/58/557057858.db2.gz MSMNJGJWGGASQS-GOSISDBHSA-N 1 0 441.955 5.150 50 0 IKAARO C[C@@H]([NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(NS(C)(=O)=O)cc1 ZINC000048285649 557057880 /nfs/dbraw/zinc/05/78/80/557057880.db2.gz ULOALJPVVTZJMA-CQSZACIVSA-N 1 0 438.471 5.188 50 0 IKAARO COc1ccc(CN(C)C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c(OC)c1 ZINC000048332142 557069753 /nfs/dbraw/zinc/06/97/53/557069753.db2.gz IVERMOUXOYLCLK-UHFFFAOYSA-N 1 0 425.573 5.132 50 0 IKAARO CCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(C)ccc1C ZINC000004752798 557077914 /nfs/dbraw/zinc/07/79/14/557077914.db2.gz VDVCGMHTTRDQPJ-UHFFFAOYSA-N 1 0 432.608 5.688 50 0 IKAARO C[N@H+](Cc1ccccc1NC(=O)c1ccccc1I)C1CCCCC1 ZINC000023352502 557086340 /nfs/dbraw/zinc/08/63/40/557086340.db2.gz VJCDGYJZFXKYRT-UHFFFAOYSA-N 1 0 448.348 5.308 50 0 IKAARO COc1ccccc1Nc1ncc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc21 ZINC000004760923 557091983 /nfs/dbraw/zinc/09/19/83/557091983.db2.gz YFWSXVJQOHMMNY-BGYRXZFFSA-N 1 0 446.595 5.085 50 0 IKAARO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000023580779 557099403 /nfs/dbraw/zinc/09/94/03/557099403.db2.gz IKFSYOQKKTWAMG-UHFFFAOYSA-N 1 0 433.602 5.876 50 0 IKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NC4CCCCC4)CC3)cc3ccccc32)c1 ZINC000049535976 557110450 /nfs/dbraw/zinc/11/04/50/557110450.db2.gz SBDRHQQBOXLBBU-UHFFFAOYSA-N 1 0 443.635 5.659 50 0 IKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NC4CCCC4)CC3)cc3ccccc32)c1 ZINC000049535974 557110495 /nfs/dbraw/zinc/11/04/95/557110495.db2.gz BVYSUORBIOEWKD-UHFFFAOYSA-N 1 0 429.608 5.269 50 0 IKAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Oc4ccccc4)cc3)=NN12 ZINC000004812038 557136408 /nfs/dbraw/zinc/13/64/08/557136408.db2.gz UPJNKWWSUFGQSG-VWLOTQADSA-N 1 0 425.532 5.444 50 0 IKAARO O=C1C2[C@H](c3ccccc3)N[C@H](c3ccccc3)C1[C@@H](c1ccccc1)[NH2+][C@@H]2c1ccccc1 ZINC000095869668 557161049 /nfs/dbraw/zinc/16/10/49/557161049.db2.gz ITTQAMYBEGYMAS-SHIBZZATSA-N 1 0 444.578 5.960 50 0 in-vitro IKAARO CCSC[C@@H]1CCC[N@@H+]1C1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000206792633 557163696 /nfs/dbraw/zinc/16/36/96/557163696.db2.gz XPILJYWQYIYPSA-DEOSSOPVSA-N 1 0 437.653 5.168 50 0 IKAARO COc1cccc([C@@H]2C[NH2+][C@H](c3ccc(SC)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000025480347 557212146 /nfs/dbraw/zinc/21/21/46/557212146.db2.gz YUWKNXAQUIIHLZ-GBXCKJPGSA-N 1 0 430.573 5.732 50 0 IKAARO CC[NH+](CC)CCOc1c(C(C)(C)C)cc(C(=O)c2coc3ccccc23)cc1C(C)(C)C ZINC000025578649 557215654 /nfs/dbraw/zinc/21/56/54/557215654.db2.gz OZUMQNJJWBUETA-UHFFFAOYSA-N 1 0 449.635 6.979 50 0 IKAARO CCCCOc1ccc(S(=O)(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)cc1 ZINC000006278419 557217617 /nfs/dbraw/zinc/21/76/17/557217617.db2.gz MAEPOMMKJZDCIP-UHFFFAOYSA-N 1 0 435.549 5.289 50 0 IKAARO Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000025854842 557228706 /nfs/dbraw/zinc/22/87/06/557228706.db2.gz SPFQDMKQNCCLCR-UHFFFAOYSA-N 1 0 426.358 5.016 50 0 IKAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000011002813 557237394 /nfs/dbraw/zinc/23/73/94/557237394.db2.gz XRBBUCWBJXWULE-UHFFFAOYSA-N 1 0 440.547 5.175 50 0 IKAARO c1nn2c(nc(-c3ccccc3)cc2N2CC[NH+](Cc3ccccc3)CC2)c1-c1ccccc1 ZINC000027585899 557266945 /nfs/dbraw/zinc/26/69/45/557266945.db2.gz RGHUTQLKDOEJQY-UHFFFAOYSA-N 1 0 445.570 5.386 50 0 IKAARO CCOC(CCC[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccc(C)cc1)OCC ZINC000008395596 557270612 /nfs/dbraw/zinc/27/06/12/557270612.db2.gz KDKUGVNJQMQPSX-UHFFFAOYSA-N 1 0 425.548 5.256 50 0 IKAARO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027794574 557274783 /nfs/dbraw/zinc/27/47/83/557274783.db2.gz CHXMTCUGXCNCSD-KRWDZBQOSA-N 1 0 447.398 5.522 50 0 IKAARO COc1cccc(NC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023328027 557314969 /nfs/dbraw/zinc/31/49/69/557314969.db2.gz NIQMMKFOCPQSIN-XMMPIXPASA-N 1 0 435.955 5.288 50 0 IKAARO COc1ccc(C[NH2+]CCC2(c3ccc(F)cc3)C[C@H](C(C)C)O[C@@H](C(C)C)C2)cc1 ZINC000524733755 557370899 /nfs/dbraw/zinc/37/08/99/557370899.db2.gz NIMPBDJZPIXJPN-CLJLJLNGSA-N 1 0 427.604 6.112 50 0 IKAARO CC(C)[C@H]1CC(CC[NH2+]Cc2ccc3c(c2)OCO3)(c2ccc(F)cc2)C[C@H](C(C)C)O1 ZINC000524734855 557370921 /nfs/dbraw/zinc/37/09/21/557370921.db2.gz FPOYKKRDKDJKOG-CLJLJLNGSA-N 1 0 441.587 5.832 50 0 IKAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@@H](C)C4=C[C@H]23)CC1 ZINC000247882605 557389368 /nfs/dbraw/zinc/38/93/68/557389368.db2.gz RSUMDFBTCAAZNY-YXBNGVMSSA-N 1 0 443.031 5.085 50 0 IKAARO Cc1ccc(C)c(C[N@@H+](CC(=O)N2CCS[C@H]2c2ccccc2Cl)CC(C)C)c1 ZINC000004893686 557401845 /nfs/dbraw/zinc/40/18/45/557401845.db2.gz SJECTAKCDLDRLH-DEOSSOPVSA-N 1 0 431.045 5.689 50 0 IKAARO CCCC[N@H+](CC)CCCNC(=O)c1cc(Nc2cc(C)cc(C)c2)nc2ccccc21 ZINC000004911395 557403575 /nfs/dbraw/zinc/40/35/75/557403575.db2.gz DJLRMBQISVDGGW-UHFFFAOYSA-N 1 0 432.612 5.837 50 0 IKAARO O=C(CCCOc1ccc(Cl)cc1Cl)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000033536400 557408516 /nfs/dbraw/zinc/40/85/16/557408516.db2.gz UQHWLXBZGSUNKG-YWEYNIOJSA-N 1 0 433.379 5.010 50 0 IKAARO FC(F)(F)c1cccc([C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2C[NH+]2CCCCC2)c1 ZINC000105047003 557473543 /nfs/dbraw/zinc/47/35/43/557473543.db2.gz XSYUPDUXSVZVGK-NFBKMPQASA-N 1 0 436.949 6.060 50 0 IKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000105042456 557473550 /nfs/dbraw/zinc/47/35/50/557473550.db2.gz IDYBSXZMTOQFNX-LBNVMWSVSA-N 1 0 444.594 5.901 50 0 IKAARO COc1cccc([C@H]2C[N@H+](Cc3sccc3C)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000105050452 557473792 /nfs/dbraw/zinc/47/37/92/557473792.db2.gz REBILFASLJNVIA-ISKFKSNPSA-N 1 0 442.669 5.421 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000019834184 557497248 /nfs/dbraw/zinc/49/72/48/557497248.db2.gz QZCIBPXNJXCHRN-NRFANRHFSA-N 1 0 430.379 5.739 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@H]1CC(c3ccccc3)=NN12 ZINC000019834186 557497312 /nfs/dbraw/zinc/49/73/12/557497312.db2.gz QZCIBPXNJXCHRN-OAQYLSRUSA-N 1 0 430.379 5.739 50 0 IKAARO CC(C)Oc1ccc(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)cc1 ZINC000012076051 557526900 /nfs/dbraw/zinc/52/69/00/557526900.db2.gz ONBCTGHXEFXHJV-UHFFFAOYSA-N 1 0 429.004 5.154 50 0 IKAARO C[N@@H+]1C[C@H](C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)[C@H](c2ccccc2)C1 ZINC000106343173 557528276 /nfs/dbraw/zinc/52/82/76/557528276.db2.gz GDBDLBPXGKPWAX-VXKWHMMOSA-N 1 0 426.343 6.314 50 0 IKAARO CCc1cc([C@H](c2cccc(OC)c2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546282 557591295 /nfs/dbraw/zinc/59/12/95/557591295.db2.gz GQUJPBIMGXTLHG-QHCPKHFHSA-N 1 0 438.593 5.986 50 0 IKAARO CCN1c2ccccc2S/C1=C\C=C(\C=C\c1sc2ccccc2[n+]1CC)CCCO ZINC000685944302 557839104 /nfs/dbraw/zinc/83/91/04/557839104.db2.gz JFFNDRALKIAOSF-UHFFFAOYSA-N 1 0 449.665 6.394 50 0 IKAARO CCN1c2ccccc2SC1=CC=Cc1cc(-c2ccccc2)cc(-c2ccccc2)[o+]1 ZINC000685944536 557839274 /nfs/dbraw/zinc/83/92/74/557839274.db2.gz VCEKQOGVEZVBMV-OPASMWONSA-N 1 0 434.584 7.261 50 0 IKAARO COc1ccc(NC(=O)[C@H]2CC[C@@H](c3ccccc3)[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034669834 557848146 /nfs/dbraw/zinc/84/81/46/557848146.db2.gz PYMSULKAMRDHTH-NVQXNPDNSA-N 1 0 430.548 5.296 50 0 IKAARO COc1ccc(NC(=O)[C@@H]2CC[C@@H](c3ccccc3)[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034669831 557848189 /nfs/dbraw/zinc/84/81/89/557848189.db2.gz PYMSULKAMRDHTH-GJZUVCINSA-N 1 0 430.548 5.296 50 0 IKAARO COc1cc(OC)c(OC)cc1CC[C@@H](C)[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000002106058 562925826 /nfs/dbraw/zinc/92/58/26/562925826.db2.gz BENHUXHIBFRHAF-OAQYLSRUSA-N 1 0 433.592 5.845 50 0 biogenic IKAARO O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000003205704 562932685 /nfs/dbraw/zinc/93/26/85/562932685.db2.gz XIRMZNKBAGVWMK-DEOSSOPVSA-N 1 0 442.386 5.519 50 0 IKAARO FC(F)(F)c1cccc(NC(=S)N(CCC[NH+]2CCCCC2)Cc2cccs2)c1 ZINC000003665659 562937602 /nfs/dbraw/zinc/93/76/02/562937602.db2.gz CDQSKXOTUSGKJO-UHFFFAOYSA-N 1 0 441.588 5.842 50 0 IKAARO CC1CC[NH+](CCCNC(=O)c2cc(Sc3ccc(F)cc3)nc3ccccc32)CC1 ZINC000008583232 562949741 /nfs/dbraw/zinc/94/97/41/562949741.db2.gz FEGDAAZNDLZDAK-UHFFFAOYSA-N 1 0 437.584 5.377 50 0 IKAARO CCOc1ccccc1NC(=O)N[C@H](CC)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000008590212 562951557 /nfs/dbraw/zinc/95/15/57/562951557.db2.gz TYDRVVYALGVBST-GOSISDBHSA-N 1 0 438.597 5.198 50 0 IKAARO Cc1cccc(C[NH+]2CCC(CNc3ncnc4onc(-c5ccc(Cl)cc5)c43)CC2)c1 ZINC000008603626 562956090 /nfs/dbraw/zinc/95/60/90/562956090.db2.gz WHXMVLCHDRSDGH-UHFFFAOYSA-N 1 0 447.970 5.571 50 0 IKAARO CC[NH+](CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2c(cccc2OC)s1 ZINC000010066697 562978381 /nfs/dbraw/zinc/97/83/81/562978381.db2.gz HRVMCLACAORZLD-UHFFFAOYSA-N 1 0 437.609 5.172 50 0 IKAARO CC[NH+](CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2ccc(OC)cc2s1 ZINC000010066432 562978419 /nfs/dbraw/zinc/97/84/19/562978419.db2.gz NVNCMUBBRHWOCH-UHFFFAOYSA-N 1 0 437.609 5.172 50 0 IKAARO COc1cccc(-n2c(SC)nnc2C2CC[NH+](CC[C@@H](C)c3ccc(C)o3)CC2)c1 ZINC000012132463 562980934 /nfs/dbraw/zinc/98/09/34/562980934.db2.gz GJLUWPJHCWLRQY-QGZVFWFLSA-N 1 0 440.613 5.272 50 0 IKAARO COc1ccc(C[NH2+]CC[C@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1OC ZINC000013139874 562985199 /nfs/dbraw/zinc/98/51/99/562985199.db2.gz JSDVJMOIUAOCKP-RUZDIDTESA-N 1 0 437.555 5.942 50 0 IKAARO Fc1ccc(C(CCC[NH+]2CCN(CCNc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000019364169 563022649 /nfs/dbraw/zinc/02/26/49/563022649.db2.gz ITBCJAOQRBZXQE-UHFFFAOYSA-N 1 0 449.589 5.607 50 0 in-man IKAARO Clc1ccc2[nH]c(-c3ccc(OCCC[NH+]4CCN(c5ccccc5)CC4)cc3)nc2c1 ZINC000020101927 563023617 /nfs/dbraw/zinc/02/36/17/563023617.db2.gz SGXRQWSQRWSZTI-UHFFFAOYSA-N 1 0 446.982 5.474 50 0 IKAARO COc1ccc(C[NH2+]CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1OC ZINC000020365353 563024572 /nfs/dbraw/zinc/02/45/72/563024572.db2.gz QKSGRSQVRBFFEB-UHFFFAOYSA-N 1 0 432.347 5.036 50 0 IKAARO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000013100898 568624854 /nfs/dbraw/zinc/62/48/54/568624854.db2.gz YVMWNDCPJMVOFO-WOJBJXKFSA-N 1 0 448.636 5.493 50 0 IKAARO C[NH+](C)[C@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccsc1 ZINC000025331856 568652601 /nfs/dbraw/zinc/65/26/01/568652601.db2.gz WIINEMIKPFWHQB-QGZVFWFLSA-N 1 0 438.380 5.062 50 0 IKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000063110742 568737567 /nfs/dbraw/zinc/73/75/67/568737567.db2.gz IODLPFHXQAFFKP-UHFFFAOYSA-N 1 0 439.481 5.280 50 0 IKAARO CCN(Cc1ccccc1)N1c2ccccc2[C@](CCC[NH+](C)C)(c2ccccc2)C1=O ZINC000002010174 568742422 /nfs/dbraw/zinc/74/24/22/568742422.db2.gz RBFWBYHQTHKRMN-NDEPHWFRSA-N 1 0 427.592 5.098 50 0 IKAARO O=C(Nc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1)c1ccc(Cl)cc1 ZINC000043965034 568744783 /nfs/dbraw/zinc/74/47/83/568744783.db2.gz ASTJQGWCDYKJKV-UGKGYDQZSA-N 1 0 426.944 5.014 50 0 IKAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(c2ccc(OC)cc2)CCO1 ZINC000004027797 568758959 /nfs/dbraw/zinc/75/89/59/568758959.db2.gz OCZJOJKHSMJOSE-UIOOFZCWSA-N 1 0 427.585 5.109 50 0 biogenic IKAARO CCOc1ccc(C[NH2+]CC[C@]2(c3ccc(C)cc3)CCO[C@@H](C(C)C)C2)cc1OC ZINC000004073146 568760387 /nfs/dbraw/zinc/76/03/87/568760387.db2.gz CJHMCYLLXMOHLY-SXOMAYOGSA-N 1 0 425.613 5.655 50 0 biogenic IKAARO CCOc1cc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)ccc1OCc1ccccc1Cl ZINC000001322395 568780238 /nfs/dbraw/zinc/78/02/38/568780238.db2.gz RXXKBFWBKYKLPJ-VWLOTQADSA-N 1 0 432.951 6.034 50 0 biogenic IKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(COc2cccc(C)c2C)c1 ZINC000001322491 568780297 /nfs/dbraw/zinc/78/02/97/568780297.db2.gz AYVLMYXKNHLAAI-MHZLTWQESA-N 1 0 442.559 5.616 50 0 biogenic IKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000015678370 568804783 /nfs/dbraw/zinc/80/47/83/568804783.db2.gz HQJZEVCWKAWIPL-SZPZYZBQSA-N 1 0 449.614 5.531 50 0 IKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000015678368 568804823 /nfs/dbraw/zinc/80/48/23/568804823.db2.gz HQJZEVCWKAWIPL-FGZHOGPDSA-N 1 0 449.614 5.531 50 0 IKAARO Cc1ccccc1Cn1cc(CCC(=O)NCCC[N@H+]2CCCC[C@H]2C)c2ccccc21 ZINC000015678415 568805133 /nfs/dbraw/zinc/80/51/33/568805133.db2.gz OWQGOLAKFNQKAQ-HSZRJFAPSA-N 1 0 431.624 5.311 50 0 IKAARO Cc1ccccc1Cn1cc(CCC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c2ccccc21 ZINC000015678420 568805139 /nfs/dbraw/zinc/80/51/39/568805139.db2.gz VVCCHTOMCWCXBC-DHIUTWEWSA-N 1 0 445.651 5.415 50 0 IKAARO Cc1ccccc1Cn1cc(CCC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c2ccccc21 ZINC000015678423 568805145 /nfs/dbraw/zinc/80/51/45/568805145.db2.gz VVCCHTOMCWCXBC-GOTSBHOMSA-N 1 0 445.651 5.415 50 0 IKAARO Cc1ccccc1Cn1cc(CCC(=O)NCCC[N@H+]2CCCC[C@@H]2C)c2ccccc21 ZINC000015678416 568805180 /nfs/dbraw/zinc/80/51/80/568805180.db2.gz OWQGOLAKFNQKAQ-QHCPKHFHSA-N 1 0 431.624 5.311 50 0 IKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000015680960 568806252 /nfs/dbraw/zinc/80/62/52/568806252.db2.gz PSIOWHLSELWHAC-KDURUIRLSA-N 1 0 443.035 5.313 50 0 IKAARO COc1ccc(-c2nc3ccccc3c(NC[C@H]3CC[N@H+](Cc4ccc(C)cc4)C3)n2)cc1 ZINC000015781624 568826009 /nfs/dbraw/zinc/82/60/09/568826009.db2.gz JHXIDWJAFFXEIN-JOCHJYFZSA-N 1 0 438.575 5.548 50 0 IKAARO COc1ccccc1[C@@H](c1oc2ccccc2c1NC(=O)c1ccco1)[NH+]1CCCCC1 ZINC000015859310 568847098 /nfs/dbraw/zinc/84/70/98/568847098.db2.gz DBVLNLXVFZHZDJ-DEOSSOPVSA-N 1 0 430.504 5.862 50 0 IKAARO O=C(Nc1c2ccccc2oc1[C@H](c1cccc(F)c1)[NH+]1CCCCC1)c1cccs1 ZINC000015859406 568847575 /nfs/dbraw/zinc/84/75/75/568847575.db2.gz YNKRKLRSCKFYSX-QHCPKHFHSA-N 1 0 434.536 6.461 50 0 IKAARO CC(C)c1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000015859347 568847595 /nfs/dbraw/zinc/84/75/95/568847595.db2.gz IFLGTGGLLFVKGG-AREMUKBSSA-N 1 0 442.559 6.977 50 0 IKAARO CC(C)c1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000015859348 568847641 /nfs/dbraw/zinc/84/76/41/568847641.db2.gz IFLGTGGLLFVKGG-SANMLTNESA-N 1 0 442.559 6.977 50 0 IKAARO COc1ccccc1[C@@H](c1oc2ccccc2c1NC(=O)c1ccccc1)[NH+]1CCCCC1 ZINC000015859470 568847686 /nfs/dbraw/zinc/84/76/86/568847686.db2.gz XDOPAGUHDXTKML-SANMLTNESA-N 1 0 440.543 6.269 50 0 IKAARO COc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000015859454 568847713 /nfs/dbraw/zinc/84/77/13/568847713.db2.gz LPDDFTYZRHFDPV-SANMLTNESA-N 1 0 440.543 6.269 50 0 IKAARO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2cccnc2)[NH+]2CCCCC2)cc1 ZINC000015859599 568847858 /nfs/dbraw/zinc/84/78/58/568847858.db2.gz RTUGLMZDEAWKMG-VWLOTQADSA-N 1 0 425.532 5.964 50 0 IKAARO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2cccnc2)[NH+]2CCC(C)CC2)cc1 ZINC000015859604 568847873 /nfs/dbraw/zinc/84/78/73/568847873.db2.gz GNIAYLJMXLPGEH-AREMUKBSSA-N 1 0 439.559 6.210 50 0 IKAARO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)cc1OC ZINC000015862343 568848679 /nfs/dbraw/zinc/84/86/79/568848679.db2.gz PVXMMCDHABBGIL-UHFFFAOYSA-N 1 0 442.559 5.365 50 0 IKAARO Cc1cc(C)c(-n2nnnc2[C@@H]([NH2+]CCc2c[nH]c3ccccc23)[C@@H]2CC=CCC2)c(C)c1 ZINC000575443626 568869515 /nfs/dbraw/zinc/86/95/15/568869515.db2.gz FCBYSFGHHOOPAD-BWKNWUBXSA-N 1 0 440.595 5.299 50 0 IKAARO O=C(Nc1cccc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)c1)c1ccccc1Cl ZINC000012975767 568890133 /nfs/dbraw/zinc/89/01/33/568890133.db2.gz CKJWIVCZVYQFSO-UHFFFAOYSA-N 1 0 434.845 5.781 50 0 IKAARO CCCCC[NH+](CCCCC)C[C@@H](C)NC(=S)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000006389315 568893735 /nfs/dbraw/zinc/89/37/35/568893735.db2.gz MLJIJTFBWHAZED-LJQANCHMSA-N 1 0 431.646 5.459 50 0 IKAARO COc1ccccc1[C@H](CC[NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 ZINC000001832512 568916187 /nfs/dbraw/zinc/91/61/87/568916187.db2.gz RXWYWURDIQKPTK-NBGIEHNGSA-N 1 0 438.011 7.009 50 0 biogenic IKAARO O=C(C[NH+]1CCCCCCC1)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000006530162 568929765 /nfs/dbraw/zinc/92/97/65/568929765.db2.gz VYDILBKREWJQQE-HHHXNRCGSA-N 1 0 425.576 5.784 50 0 IKAARO CN(Cc1ccc(Cl)cc1)N1c2ccccc2[C@](CCC[NH+](C)C)(c2ccccc2)C1=O ZINC000031880492 568937619 /nfs/dbraw/zinc/93/76/19/568937619.db2.gz RCHASPWHQQEZMS-MHZLTWQESA-N 1 0 448.010 5.362 50 0 IKAARO O[C@@H](C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1)c1ccccc1 ZINC000036146242 568962273 /nfs/dbraw/zinc/96/22/73/568962273.db2.gz IFAYMVSPTMFJPH-OFVILXPXSA-N 1 0 438.930 5.208 50 0 IKAARO COc1ccccc1Nc1c2cc(NC(=O)C3CCCCC3)ccc2[nH+]c2c1CCCC2 ZINC000006721942 568962817 /nfs/dbraw/zinc/96/28/17/568962817.db2.gz NRXHVBLUROMERI-UHFFFAOYSA-N 1 0 429.564 6.385 50 0 IKAARO CCC[N@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccc(C)s1 ZINC000036154601 568964660 /nfs/dbraw/zinc/96/46/60/568964660.db2.gz KZTUISGDRRQZTA-UHFFFAOYSA-N 1 0 431.601 6.346 50 0 IKAARO CCC[N@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccccc1OC ZINC000036167845 568968493 /nfs/dbraw/zinc/96/84/93/568968493.db2.gz XVXFLWAKOPKKOL-UHFFFAOYSA-N 1 0 441.571 5.985 50 0 IKAARO Cc1ccc(F)c(C[N@H+]2C[C@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c3cccc(F)c3)C2)c1 ZINC000169679929 568990620 /nfs/dbraw/zinc/99/06/20/568990620.db2.gz BFMPFGNAXIQXGE-ILBGXUMGSA-N 1 0 442.594 5.629 50 0 IKAARO CCC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036302176 568993979 /nfs/dbraw/zinc/99/39/79/568993979.db2.gz QWGDRIVIWGVXPP-JOCHJYFZSA-N 1 0 437.584 5.355 50 0 IKAARO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036301822 568994046 /nfs/dbraw/zinc/99/40/46/568994046.db2.gz SNQPJPYBKFPKEF-QFIPXVFZSA-N 1 0 439.987 5.609 50 0 IKAARO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](CC(C)C)C[C@H](C)O ZINC000036301741 568994150 /nfs/dbraw/zinc/99/41/50/568994150.db2.gz AYOKWNUILLCMKY-SFHVURJKSA-N 1 0 427.976 5.465 50 0 IKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C[C@@H](O)CC ZINC000036303786 568994189 /nfs/dbraw/zinc/99/41/89/568994189.db2.gz GBCBREMMUQBBOL-NRFANRHFSA-N 1 0 427.976 5.609 50 0 IKAARO CC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C1CC1 ZINC000036304993 568994677 /nfs/dbraw/zinc/99/46/77/568994677.db2.gz KOAUZMZLSVZFIS-IBGZPJMESA-N 1 0 425.960 5.268 50 0 IKAARO COc1ccc(Oc2c(C[N@H+](C[C@@H](O)C(C)C)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304614 568994810 /nfs/dbraw/zinc/99/48/10/568994810.db2.gz ILQMEEHHFZBJFA-AREMUKBSSA-N 1 0 449.595 5.211 50 0 IKAARO C[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305054 568994922 /nfs/dbraw/zinc/99/49/22/568994922.db2.gz PTQLWNUSDOPKFN-QGZVFWFLSA-N 1 0 425.960 5.126 50 0 IKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)CC ZINC000036316471 568999771 /nfs/dbraw/zinc/99/97/71/568999771.db2.gz CGUCTVWBKNQQSH-FQEVSTJZSA-N 1 0 425.548 5.349 50 0 IKAARO COc1ccc(C[NH2+]CC[C@H](c2ccc(OC(C)C)cc2)C2CCCCC2)cc1OC ZINC000006814139 569000644 /nfs/dbraw/zinc/00/06/44/569000644.db2.gz PDOJPRSZBTWHHK-VWLOTQADSA-N 1 0 425.613 6.335 50 0 IKAARO CCCCCC[C@@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCCCCC1)c1ccccc1 ZINC000006811640 569000686 /nfs/dbraw/zinc/00/06/86/569000686.db2.gz CQLDWKCIBVFSBB-FQLXRVMXSA-N 1 0 437.668 6.903 50 0 IKAARO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345968 569080813 /nfs/dbraw/zinc/08/08/13/569080813.db2.gz LPRKPLQJBXWIAT-OAQYLSRUSA-N 1 0 425.548 5.341 50 0 IKAARO CCC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346056 569080819 /nfs/dbraw/zinc/08/08/19/569080819.db2.gz DAVJEDFZINCMAO-OAQYLSRUSA-N 1 0 425.548 5.485 50 0 IKAARO CCCC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346043 569080826 /nfs/dbraw/zinc/08/08/26/569080826.db2.gz NIGOJVDDXKJGLD-QFIPXVFZSA-N 1 0 439.575 5.875 50 0 IKAARO CCC[N@@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@H](C)O ZINC000036346496 569081418 /nfs/dbraw/zinc/08/14/18/569081418.db2.gz WQEGMGAKCLAMKY-FQEVSTJZSA-N 1 0 437.584 5.389 50 0 IKAARO CCC[NH+](CCC)CCCNC(=O)CCc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000006858146 569091062 /nfs/dbraw/zinc/09/10/62/569091062.db2.gz IKGTVZGCPCQRBX-UHFFFAOYSA-N 1 0 433.640 5.559 50 0 IKAARO CC[NH+](CC)CCNC(=O)c1ccc(-c2c(-c3ccc(C)cc3)ncn2C2CCCCC2)o1 ZINC000065036809 569092730 /nfs/dbraw/zinc/09/27/30/569092730.db2.gz ONZXBQXHZNVLGX-UHFFFAOYSA-N 1 0 448.611 5.695 50 0 IKAARO Cc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2C(C)C ZINC000065322328 569136567 /nfs/dbraw/zinc/13/65/67/569136567.db2.gz GDWSRYLKBAKDLT-UHFFFAOYSA-N 1 0 434.584 5.175 50 0 IKAARO CCCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000065322386 569136619 /nfs/dbraw/zinc/13/66/19/569136619.db2.gz BZMXBDZLYGFAPF-UHFFFAOYSA-N 1 0 434.584 5.086 50 0 IKAARO Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCC(C)CC2)n3C(C)C)c1 ZINC000065322326 569136681 /nfs/dbraw/zinc/13/66/81/569136681.db2.gz NSJOFHNCKTZQRO-UHFFFAOYSA-N 1 0 434.584 5.175 50 0 IKAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)c3cc4cc5ccc(C)cc5nc4o3)CC2)c1 ZINC000065331029 569137195 /nfs/dbraw/zinc/13/71/95/569137195.db2.gz JUMIJIYLHZBEHM-UHFFFAOYSA-N 1 0 441.575 5.548 50 0 IKAARO Cc1ccc(NC(=O)c2ccc(CSc3ccccc3)o2)cc1N1CC[C@@H]([NH+](C)C)C1 ZINC000170596028 569141590 /nfs/dbraw/zinc/14/15/90/569141590.db2.gz SHFYQHHOVIFPMG-HXUWFJFHSA-N 1 0 435.593 5.273 50 0 IKAARO COc1ccccc1C[NH+]1CCC(N(C(=O)c2ccccc2OC)c2ccc(F)cc2)CC1 ZINC000037279987 569145764 /nfs/dbraw/zinc/14/57/64/569145764.db2.gz AFGSIZUDASRYTK-UHFFFAOYSA-N 1 0 448.538 5.154 50 0 IKAARO COc1ccccc1C[NH+]1CCC(N(C(=O)c2ccccc2OC)c2ccc(C)cc2)CC1 ZINC000037280044 569145783 /nfs/dbraw/zinc/14/57/83/569145783.db2.gz ZTVNOLJFODVPMR-UHFFFAOYSA-N 1 0 444.575 5.324 50 0 IKAARO COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000037279984 569145796 /nfs/dbraw/zinc/14/57/96/569145796.db2.gz GLDWYCFQOSOWSC-UHFFFAOYSA-N 1 0 432.539 5.454 50 0 IKAARO COc1ccccc1C(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000037280040 569145837 /nfs/dbraw/zinc/14/58/37/569145837.db2.gz ROPRSUPVOGVXHH-UHFFFAOYSA-N 1 0 428.576 5.623 50 0 IKAARO Brc1ccc(NC2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000010060503 569152576 /nfs/dbraw/zinc/15/25/76/569152576.db2.gz SHSBCBBPHZFLGL-UHFFFAOYSA-N 1 0 437.381 6.318 50 0 IKAARO CC[NH+](CC)CCNC(=O)c1sc2c(cnc3ccc(OC)cc23)c1-c1ccccc1 ZINC000016846845 569163875 /nfs/dbraw/zinc/16/38/75/569163875.db2.gz KIMIZIDUFQVYSQ-UHFFFAOYSA-N 1 0 433.577 5.197 50 0 IKAARO Clc1ccc(CC[NH2+]Cc2cn3c(nnc3-c3ccc(Br)cc3)s2)cc1 ZINC000017155817 569175034 /nfs/dbraw/zinc/17/50/34/569175034.db2.gz CGKTVAZGSLYPPN-UHFFFAOYSA-N 1 0 447.789 5.206 50 0 IKAARO C[NH+](C)[C@H](c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1)C1CC1 ZINC000252498728 569187999 /nfs/dbraw/zinc/18/79/99/569187999.db2.gz RJSRWUXCFLEYHS-INIZCTEOSA-N 1 0 438.837 5.609 50 0 IKAARO CC[C@H](C)c1ccc([C@H]([NH2+]CC(=O)Nc2cc(NC(C)=O)ccc2OC)C(C)C)cc1 ZINC000007719303 569197774 /nfs/dbraw/zinc/19/77/74/569197774.db2.gz UFILVDRYUJMLGM-SSOJOUAXSA-N 1 0 425.573 5.093 50 0 IKAARO COc1cccc([C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000037523689 569198569 /nfs/dbraw/zinc/19/85/69/569198569.db2.gz JSCJBEFSQAEKEV-VPUSJEBWSA-N 1 0 436.640 5.360 50 0 IKAARO COc1cccc([C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000037524385 569198588 /nfs/dbraw/zinc/19/85/88/569198588.db2.gz ILZJSOAWGWCXME-JYFHCDHNSA-N 1 0 440.603 5.191 50 0 IKAARO COc1cccc([C@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000037524386 569198601 /nfs/dbraw/zinc/19/86/01/569198601.db2.gz ILZJSOAWGWCXME-ZEQKJWHPSA-N 1 0 440.603 5.191 50 0 IKAARO COc1ccc(C(=O)N(c2cccc(OC)c2)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000037560111 569200850 /nfs/dbraw/zinc/20/08/50/569200850.db2.gz NNMMOGRFJRRGEB-UHFFFAOYSA-N 1 0 444.575 5.324 50 0 IKAARO COc1cccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000037560090 569200908 /nfs/dbraw/zinc/20/09/08/569200908.db2.gz XZCWRQUHUZZNEW-UHFFFAOYSA-N 1 0 432.539 5.454 50 0 IKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3F)c3ccc(F)cc3)CC2)cc1 ZINC000037559583 569200935 /nfs/dbraw/zinc/20/09/35/569200935.db2.gz WBGAIZVECSGGLK-UHFFFAOYSA-N 1 0 436.502 5.285 50 0 IKAARO COc1cccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000037560092 569200945 /nfs/dbraw/zinc/20/09/45/569200945.db2.gz PDPWTTZLMQOMKQ-UHFFFAOYSA-N 1 0 432.539 5.454 50 0 IKAARO COc1ccccc1C[NH+]1CCC(N(C(=O)c2cccc(C)c2)c2ccc(C)cc2)CC1 ZINC000037560079 569200949 /nfs/dbraw/zinc/20/09/49/569200949.db2.gz PUOIQIYNQQXYQT-UHFFFAOYSA-N 1 0 428.576 5.623 50 0 IKAARO O=C(c1cccc(Cl)c1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000037559593 569200953 /nfs/dbraw/zinc/20/09/53/569200953.db2.gz JRIKGVXQSUUEKL-UHFFFAOYSA-N 1 0 440.921 5.930 50 0 IKAARO COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000037560525 569201088 /nfs/dbraw/zinc/20/10/88/569201088.db2.gz AVLRCGMJCQCOQS-UHFFFAOYSA-N 1 0 448.994 5.968 50 0 IKAARO COc1cccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000037560860 569201090 /nfs/dbraw/zinc/20/10/90/569201090.db2.gz DJKSTTWBIKEMNM-UHFFFAOYSA-N 1 0 436.502 5.285 50 0 IKAARO COc1ccccc1C(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000037560831 569201094 /nfs/dbraw/zinc/20/10/94/569201094.db2.gz OQDOLVZWWRLOLM-UHFFFAOYSA-N 1 0 432.539 5.454 50 0 IKAARO Cc1ccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000037570632 569201204 /nfs/dbraw/zinc/20/12/04/569201204.db2.gz SRKOMNCCYNOIJS-UHFFFAOYSA-N 1 0 436.958 6.099 50 0 IKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(C)c(F)c3)CC2)c1 ZINC000037572187 569201251 /nfs/dbraw/zinc/20/12/51/569201251.db2.gz IRPLYOWRBYVWMV-UHFFFAOYSA-N 1 0 432.539 5.454 50 0 IKAARO CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000037587952 569201992 /nfs/dbraw/zinc/20/19/92/569201992.db2.gz SOJYIXOQGMBHKZ-UHFFFAOYSA-N 1 0 446.566 5.708 50 0 IKAARO CC[NH+]1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000002693631 569212595 /nfs/dbraw/zinc/21/25/95/569212595.db2.gz XMADOXUAXDRFBI-UHFFFAOYSA-N 1 0 433.621 5.069 50 0 IKAARO [NH3+]CCCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002273711 569217782 /nfs/dbraw/zinc/21/77/82/569217782.db2.gz WNDUDSGSOUGKBD-UHFFFAOYSA-N 1 0 445.632 5.158 50 0 IKAARO C(\c1ccccc1)=C1\CCC[C@@H]2[C@H](c3ccccc3)C3=C(CCCC3)O[C@]12[NH+]1CCCC1 ZINC000003125961 569256522 /nfs/dbraw/zinc/25/65/22/569256522.db2.gz IJXXRBRQXUPTCZ-MVBUWGDDSA-N 1 0 425.616 7.304 50 0 IKAARO C(\c1ccccc1)=C1\CCCC2=C1O[C@]1([NH+]3CCCC3)CCCC[C@H]1[C@H]2c1ccccc1 ZINC000013467839 569256725 /nfs/dbraw/zinc/25/67/25/569256725.db2.gz ASDJDGGAASGMTI-MAXZNYRFSA-N 1 0 425.616 7.304 50 0 IKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C[NH2+]Cc3cccc4ccccc43)CCC[C@]21C ZINC000016949670 569256887 /nfs/dbraw/zinc/25/68/87/569256887.db2.gz JVRGEFPYXCXEQL-JFHPUIQFSA-N 1 0 425.660 7.763 50 0 IKAARO O=S1(=O)[C@H](c2ccccc2)[C@@H]([NH+]2CCCC2)[C@]12CC1c3ccccc3C2c2ccccc21 ZINC000043214870 569257839 /nfs/dbraw/zinc/25/78/39/569257839.db2.gz HKJGZFOWOOIWTJ-KTWGYSIQSA-N 1 0 441.596 5.040 50 0 IKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]2CN(CC(C)C)C(C)=O)c1 ZINC000253388919 569264266 /nfs/dbraw/zinc/26/42/66/569264266.db2.gz GIXYHFPBYHIBKI-DHLKQENFSA-N 1 0 429.004 5.069 50 0 IKAARO O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)[C@@H](c2ccc(Cl)cc2Cl)N1c1ccccc1 ZINC000027531499 569266094 /nfs/dbraw/zinc/26/60/94/569266094.db2.gz DOJDUOQKIHAIJX-XMMPIXPASA-N 1 0 448.353 5.428 50 0 IKAARO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(NC(=O)CC[NH+](C)C)cc2)CC1 ZINC000240555680 569269034 /nfs/dbraw/zinc/26/90/34/569269034.db2.gz GXELABSQSAXUKW-UILWBTOOSA-N 1 0 442.003 5.029 50 0 IKAARO CCCCCCC1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]1C ZINC000245310379 569269878 /nfs/dbraw/zinc/26/98/78/569269878.db2.gz IOJSASXMHFMQDT-MCJPXMOYSA-N 1 0 434.451 7.353 50 0 IKAARO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)cc3)[C@H](C)[C@@](O)(Cc3ccccc3)[C@@H]2C)cc1 ZINC000245294888 569269905 /nfs/dbraw/zinc/26/99/05/569269905.db2.gz BTUTYNXWDXRDAN-WJIXSLGCSA-N 1 0 431.576 5.335 50 0 IKAARO C[C@@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H](C)[C@@]1(O)Cc1ccccc1 ZINC000252320699 569271117 /nfs/dbraw/zinc/27/11/17/569271117.db2.gz NATCMOXDTBVZOU-IZVMBHDSSA-N 1 0 440.414 6.625 50 0 IKAARO C[C@@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)Cc1ccccc1 ZINC000252320698 569271180 /nfs/dbraw/zinc/27/11/80/569271180.db2.gz NATCMOXDTBVZOU-BAELCIPQSA-N 1 0 440.414 6.625 50 0 IKAARO CO[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@]5(CN(C)C6(CC[NH+](C)CC6)O5)[C@@]4(C)CC[C@H]32)C1 ZINC000253500186 569283469 /nfs/dbraw/zinc/28/34/69/569283469.db2.gz YKZPJVAZIXEHHB-OPTSDNATSA-N 1 0 442.688 5.087 50 0 biogenic IKAARO C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2OC(=O)CC[NH+]1CCCCC1 ZINC000253503887 569283502 /nfs/dbraw/zinc/28/35/02/569283502.db2.gz FKAJEUFWOXAABF-JLNGKSOPSA-N 1 0 429.645 5.386 50 0 IKAARO C[N@@H+]1C[C@@H](C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000008888305 569292086 /nfs/dbraw/zinc/29/20/86/569292086.db2.gz GDBDLBPXGKPWAX-FGZHOGPDSA-N 1 0 426.343 6.314 50 0 IKAARO CCCCc1nc2sc3c(nc(SC)nc3NCCC[NH+](C)C)c2c2c1CCC2 ZINC000002420128 569301858 /nfs/dbraw/zinc/30/18/58/569301858.db2.gz RCGIKNGNUNZGDM-UHFFFAOYSA-N 1 0 429.659 5.156 50 0 IKAARO CCCc1nc2sc3c(nc(SC)nc3NCCC[NH+](CC)CC)c2c2c1CCC2 ZINC000002428917 569302885 /nfs/dbraw/zinc/30/28/85/569302885.db2.gz GQLDKLXCAOTHMV-UHFFFAOYSA-N 1 0 443.686 5.546 50 0 IKAARO C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]([NH3+])C1 ZINC000116907270 569304004 /nfs/dbraw/zinc/30/40/04/569304004.db2.gz VRQXRVAKPDCRCI-ZNMIVQPWSA-N 1 0 440.469 5.044 50 0 in-vitro IKAARO CCCCc1nc2sc3c(nc(SC)nc3SCC[NH+](C)C)c2c2c1CCC2 ZINC000002441862 569304273 /nfs/dbraw/zinc/30/42/73/569304273.db2.gz BNBDVZOPKKHIDX-UHFFFAOYSA-N 1 0 432.684 5.446 50 0 IKAARO CC(C)Oc1ccc(C[NH2+]CC[C@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000002447173 569304488 /nfs/dbraw/zinc/30/44/88/569304488.db2.gz KNPCFZQMRZUWSB-MUUNZHRXSA-N 1 0 435.583 6.712 50 0 IKAARO COc1ccc(-c2csc3ncnc(NC[C@H](c4ccco4)[NH+]4CCCCC4)c23)cc1 ZINC000013095513 569309486 /nfs/dbraw/zinc/30/94/86/569309486.db2.gz HYPPXJZJXADJLG-HXUWFJFHSA-N 1 0 434.565 5.599 50 0 IKAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000013116953 569310929 /nfs/dbraw/zinc/31/09/29/569310929.db2.gz AWYFKUGPMHUVPQ-QHCPKHFHSA-N 1 0 437.465 5.699 50 0 IKAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369091 569314697 /nfs/dbraw/zinc/31/46/97/569314697.db2.gz BYOVIIVOXMJYPS-OALUTQOASA-N 1 0 439.003 5.126 50 0 IKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369077 569314730 /nfs/dbraw/zinc/31/47/30/569314730.db2.gz PIWLFKBUABAZQF-OAQYLSRUSA-N 1 0 439.003 5.128 50 0 IKAARO C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369270 569314862 /nfs/dbraw/zinc/31/48/62/569314862.db2.gz MMUMCLMZJBLBBM-IBGZPJMESA-N 1 0 439.003 5.300 50 0 IKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([N@@H+](C)C5CCCCC5)C4=O)cc3)sc2c1 ZINC000019890012 569331795 /nfs/dbraw/zinc/33/17/95/569331795.db2.gz VFRYKIBVYZTXSW-NRFANRHFSA-N 1 0 433.577 5.168 50 0 IKAARO Cc1[nH]c2ccccc2c1[C@H](c1ccc(C(C)C)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019902792 569331866 /nfs/dbraw/zinc/33/18/66/569331866.db2.gz GVJXWYUHTSFSGP-LJAQVGFWSA-N 1 0 441.594 6.650 50 0 IKAARO Clc1ccc([C@H](c2ccccc2)N2CC[NH+](CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000020032638 569332620 /nfs/dbraw/zinc/33/26/20/569332620.db2.gz MDHWZXAVBYFNDP-NDEPHWFRSA-N 1 0 444.022 6.161 50 0 biogenic IKAARO CCCCCC[C@@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020034608 569332640 /nfs/dbraw/zinc/33/26/40/569332640.db2.gz UXTNEBZBEZFKGG-KAYWLYCHSA-N 1 0 425.613 5.359 50 0 IKAARO S=C(Nc1ccc(Oc2ccccc2)cc1)N(CCC[NH+]1CCCC1)Cc1ccco1 ZINC000020107706 569334219 /nfs/dbraw/zinc/33/42/19/569334219.db2.gz QTBJYTZFEFYGAD-UHFFFAOYSA-N 1 0 435.593 5.757 50 0 IKAARO [NH2+]=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000020237366 569357496 /nfs/dbraw/zinc/35/74/96/569357496.db2.gz QWXPXLRFUNBTMR-UHFFFAOYSA-N 1 0 435.527 5.530 50 0 IKAARO Cc1ccccc1Cn1c2ccccc2c(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C(=O)[O-] ZINC000020379353 569362539 /nfs/dbraw/zinc/36/25/39/569362539.db2.gz LWDUZZAKICUPMH-NHCUHLMSSA-N 1 0 447.623 5.154 50 0 IKAARO CC(C)CCOc1ccc([C@@](O)(C(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020441058 569365776 /nfs/dbraw/zinc/36/57/76/569365776.db2.gz DXIIYKYODSHYAC-SVBPBHIXSA-N 1 0 425.613 5.071 50 0 IKAARO CC(C)c1ccc(C2(O)CCC([NH2+]Cc3cccc(NC(=O)c4ccncc4)c3)CC2)cc1 ZINC000095454544 569368346 /nfs/dbraw/zinc/36/83/46/569368346.db2.gz IUKXPILIQARKQL-UHFFFAOYSA-N 1 0 443.591 5.377 50 0 IKAARO CCc1nc([C@@H](C)NC(=O)Nc2ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc2)cs1 ZINC000095460784 569369778 /nfs/dbraw/zinc/36/97/78/569369778.db2.gz IYDKMQODXPBXBZ-NQIIRXRSSA-N 1 0 444.645 5.368 50 0 IKAARO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[N@H+](C)Cc3ccccc3)cc(=O)oc2c1C ZINC000095472788 569372189 /nfs/dbraw/zinc/37/21/89/569372189.db2.gz HJIYIBMIOZFVLK-UHFFFAOYSA-N 1 0 438.527 6.158 50 0 IKAARO OC1(C(F)(F)F)CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000095976616 569377662 /nfs/dbraw/zinc/37/76/62/569377662.db2.gz RLEOUFWHAHHUBY-UHFFFAOYSA-N 1 0 435.877 5.082 50 0 IKAARO COc1ccc(NC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3cc(C)ccc3C)CC2)cc1 ZINC000096183757 569386067 /nfs/dbraw/zinc/38/60/67/569386067.db2.gz HHRNUOQKUZVZIP-SANMLTNESA-N 1 0 429.564 5.251 50 0 IKAARO [NH3+]CCc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1OCc1ccccc1 ZINC000002573854 569409922 /nfs/dbraw/zinc/40/99/22/569409922.db2.gz UFBCCWIIKRENII-UHFFFAOYSA-N 1 0 439.555 5.925 50 0 IKAARO O=C(c1ccc(Cl)cc1)[C@H]1C[N@H+](C2CCCCC2)CC[C@]1(O)c1ccc(Cl)cc1 ZINC000002708587 569417639 /nfs/dbraw/zinc/41/76/39/569417639.db2.gz CPVHOEXRGVOAQJ-VWNXMTODSA-N 1 0 432.391 5.719 50 0 IKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(COc2ccccc2Cl)cc1 ZINC000002772152 569420914 /nfs/dbraw/zinc/42/09/14/569420914.db2.gz GRSCTIJYEABBRZ-UHFFFAOYSA-N 1 0 434.967 6.157 50 0 IKAARO CC(C)[NH+]1CCC(N(Cc2ccco2)C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000002912832 569424957 /nfs/dbraw/zinc/42/49/57/569424957.db2.gz BJKJXYWWGYKVDE-UHFFFAOYSA-N 1 0 425.520 5.370 50 0 IKAARO CCc1ccc(Sc2cc(C(=O)NCC[N@H+]3[C@H](C)CCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000002941384 569426671 /nfs/dbraw/zinc/42/66/71/569426671.db2.gz WCVYERRBBYFAOS-BGYRXZFFSA-N 1 0 447.648 5.941 50 0 IKAARO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)c1C ZINC000057270654 569430256 /nfs/dbraw/zinc/43/02/56/569430256.db2.gz LGOMQQJSAOGDOM-GCJKJVERSA-N 1 0 427.548 5.308 50 0 IKAARO c1ccc2cc(C[NH+]3CCN(c4nc(-c5cccnc5)nc5ccccc54)CC3)ccc2c1 ZINC000057381119 569432809 /nfs/dbraw/zinc/43/28/09/569432809.db2.gz LZTWZBVIJWKKMB-UHFFFAOYSA-N 1 0 431.543 5.167 50 0 IKAARO CC[NH+](CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1cc(F)cc(F)c1 ZINC000003029478 569436707 /nfs/dbraw/zinc/43/67/07/569436707.db2.gz QGLIVKSDZVNFFZ-UHFFFAOYSA-N 1 0 430.568 5.377 50 0 IKAARO CCn1cc(CN(CCC[NH+](CC)CC)C(=S)Nc2ccc(C)cc2)c2ccccc21 ZINC000003029524 569436735 /nfs/dbraw/zinc/43/67/35/569436735.db2.gz VYPRFLQOVYQBHF-UHFFFAOYSA-N 1 0 436.669 5.901 50 0 IKAARO CCOc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000003044949 569438599 /nfs/dbraw/zinc/43/85/99/569438599.db2.gz CJAGKBRBMHETMY-FQEVSTJZSA-N 1 0 431.580 5.295 50 0 IKAARO Cc1ccc(-c2cc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)c3ccccc3n2)cc1C ZINC000003046096 569438650 /nfs/dbraw/zinc/43/86/50/569438650.db2.gz BQPUTOWQDZBWSD-UHFFFAOYSA-N 1 0 445.651 6.253 50 0 IKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C(C)C)cc21 ZINC000003047623 569438676 /nfs/dbraw/zinc/43/86/76/569438676.db2.gz DTDSVJHUGZHVRB-NRFANRHFSA-N 1 0 431.580 5.248 50 0 IKAARO COc1cccc(OC)c1C(=O)N(c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000003236253 569442461 /nfs/dbraw/zinc/44/24/61/569442461.db2.gz KFBUNZJSPRKXJX-UHFFFAOYSA-N 1 0 430.548 5.015 50 0 IKAARO CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)C[NH+](CC)CC ZINC000003296315 569444710 /nfs/dbraw/zinc/44/47/10/569444710.db2.gz JVNDRLFIMWJSPV-UHFFFAOYSA-N 1 0 436.577 5.539 50 0 IKAARO CCn1c2ccccc2c2cc(NC(=O)C[NH+]3CCC(Cc4ccccc4)CC3)ccc21 ZINC000003298040 569444876 /nfs/dbraw/zinc/44/48/76/569444876.db2.gz NOPYXFBQLKGGPY-UHFFFAOYSA-N 1 0 425.576 5.708 50 0 IKAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cc12 ZINC000003324809 569446169 /nfs/dbraw/zinc/44/61/69/569446169.db2.gz IKMQWHYXUVGEQX-FQEVSTJZSA-N 1 0 438.984 5.082 50 0 IKAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000003363851 569448059 /nfs/dbraw/zinc/44/80/59/569448059.db2.gz PFMAOUPKNYQAJZ-QFIPXVFZSA-N 1 0 442.481 5.922 50 0 IKAARO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CC=C(c2ccccc2)CC1 ZINC000003449413 569451541 /nfs/dbraw/zinc/45/15/41/569451541.db2.gz JHTJVLRHODQCRG-UHFFFAOYSA-N 1 0 446.572 5.320 50 0 IKAARO C[NH+](C)CCCNC(=O)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 ZINC000003469576 569452067 /nfs/dbraw/zinc/45/20/67/569452067.db2.gz KFHOALZJRLYJFY-UHFFFAOYSA-N 1 0 433.499 5.177 50 0 IKAARO FC(F)(F)c1cccc(NC(=S)N(CC[NH+]2CCCCCC2)Cc2cccs2)c1 ZINC000003665660 569455985 /nfs/dbraw/zinc/45/59/85/569455985.db2.gz HIKUFPRQLJKHQT-UHFFFAOYSA-N 1 0 441.588 5.842 50 0 IKAARO Cc1cc(C)c(NC(=S)N(CCC[N@H+]2CCC[C@@H](C)C2)Cc2cccs2)c(C)c1 ZINC000003665574 569456008 /nfs/dbraw/zinc/45/60/08/569456008.db2.gz LSSRFMAFURQKJC-GOSISDBHSA-N 1 0 429.699 5.994 50 0 IKAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(c2ccccc2OC)CCO1 ZINC000004028143 569458229 /nfs/dbraw/zinc/45/82/29/569458229.db2.gz LZCRRXFBCSZFKT-CLJLJLNGSA-N 1 0 427.585 5.109 50 0 biogenic IKAARO CC[NH+](CC)CCOC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000008385567 569462640 /nfs/dbraw/zinc/46/26/40/569462640.db2.gz CGFWEKQREVKJNJ-UHFFFAOYSA-N 1 0 439.599 6.279 50 0 IKAARO CCc1cc([C@@H](c2ccc(SC)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545933 569463333 /nfs/dbraw/zinc/46/33/33/569463333.db2.gz LFRZPYBFNRULNQ-JOCHJYFZSA-N 1 0 440.634 6.453 50 0 IKAARO CCOc1ccc([C@@H](c2cc(CC)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000038545932 569463337 /nfs/dbraw/zinc/46/33/37/569463337.db2.gz IELQVHHCOVRDEQ-QHCPKHFHSA-N 1 0 438.593 6.130 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)c1C ZINC000038545979 569463399 /nfs/dbraw/zinc/46/33/99/569463399.db2.gz YRRSATVFIXZGTH-OAQYLSRUSA-N 1 0 428.598 6.393 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccc(F)c2)[NH+]2CCCCC2)c1C ZINC000038545981 569463418 /nfs/dbraw/zinc/46/34/18/569463418.db2.gz YVRCOFUIPDORIY-OAQYLSRUSA-N 1 0 428.598 6.393 50 0 IKAARO Cc1cc([C@@H](c2ccc3c(c2)OCO3)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546267 569463469 /nfs/dbraw/zinc/46/34/69/569463469.db2.gz SOYROWUXDSFXIP-JOCHJYFZSA-N 1 0 438.549 5.452 50 0 IKAARO CC1CC[NH+]([C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccnc2)CC1 ZINC000038546324 569463474 /nfs/dbraw/zinc/46/34/74/569463474.db2.gz VQTRSACLNMSXHB-HSZRJFAPSA-N 1 0 435.593 5.689 50 0 IKAARO CC1CC[NH+]([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2)CC1 ZINC000038546307 569463479 /nfs/dbraw/zinc/46/34/79/569463479.db2.gz COWLTBDLNSRCNK-DEOSSOPVSA-N 1 0 434.605 6.294 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1C ZINC000038546718 569463659 /nfs/dbraw/zinc/46/36/59/569463659.db2.gz AXWSLHGJWDMGCY-HXUWFJFHSA-N 1 0 430.664 6.562 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)c1C ZINC000038546859 569463757 /nfs/dbraw/zinc/46/37/57/569463757.db2.gz ZLKAVYXUAKVOKB-FQEVSTJZSA-N 1 0 431.026 6.517 50 0 IKAARO Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CC[NH+](Cc3ccccc3)CC2)o1 ZINC000008717720 569471098 /nfs/dbraw/zinc/47/10/98/569471098.db2.gz QLXBVYHRIULSRL-HSZRJFAPSA-N 1 0 447.966 5.777 50 0 IKAARO Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000008717703 569471100 /nfs/dbraw/zinc/47/11/00/569471100.db2.gz JEHMUUGNGQASKI-VWLOTQADSA-N 1 0 443.978 5.876 50 0 IKAARO C[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000008717681 569471128 /nfs/dbraw/zinc/47/11/28/569471128.db2.gz PPVMRAFAGPNXMY-LJQANCHMSA-N 1 0 446.776 5.068 50 0 IKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccccc3)C[C@H]21 ZINC000008717739 569471130 /nfs/dbraw/zinc/47/11/30/569471130.db2.gz BCNHOXYWCKGSTG-RUZDIDTESA-N 1 0 439.559 5.231 50 0 IKAARO Cc1c(Cl)cccc1NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000008721627 569471742 /nfs/dbraw/zinc/47/17/42/569471742.db2.gz BXBBAFPZXRZCPD-UHFFFAOYSA-N 1 0 432.995 6.355 50 0 IKAARO Oc1ccccc1C=CC1=C[C@@](O)(C(F)(F)F)N(c2nc(-c3ccccc3)cs2)[NH2+]1 ZINC000008754024 569473807 /nfs/dbraw/zinc/47/38/07/569473807.db2.gz BNTCKSHXNXHZPT-CTDFXDFQSA-N 1 0 431.439 5.046 50 0 IKAARO Cc1[nH+]c2ccc(Oc3ccccc3)cc2c2c1CCN2c1ccc(Oc2ccccc2)cc1 ZINC000008782179 569475786 /nfs/dbraw/zinc/47/57/86/569475786.db2.gz LGEJEOSMEBYTCO-UHFFFAOYSA-N 1 0 444.534 7.822 50 0 IKAARO C[N@H+](Cc1ccccc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)C1CCCCC1 ZINC000040039650 569483356 /nfs/dbraw/zinc/48/33/56/569483356.db2.gz AZFQODGHXQTXSF-UHFFFAOYSA-N 1 0 428.960 5.057 50 0 IKAARO CC1(C)C(c2ccccc2)=NN(c2ccc(C[NH2+]Cc3ccccc3)cc2)[C@H]1c1ccccc1 ZINC000008914041 569485416 /nfs/dbraw/zinc/48/54/16/569485416.db2.gz FBIRIRZWKHNLQS-PMERELPUSA-N 1 0 445.610 6.968 50 0 IKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OCc4ccccc4)c2)N3)C1 ZINC000008923448 569487036 /nfs/dbraw/zinc/48/70/36/569487036.db2.gz NPHQYGBWBMGZIV-HSZRJFAPSA-N 1 0 433.577 5.523 50 0 IKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)c4ccccc4)c2)N3)C1 ZINC000008923420 569487054 /nfs/dbraw/zinc/48/70/54/569487054.db2.gz KLHBHCSLZHQWMC-QFIPXVFZSA-N 1 0 447.560 5.163 50 0 IKAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)C1 ZINC000040149316 569492483 /nfs/dbraw/zinc/49/24/83/569492483.db2.gz DIMMTJPZPIAQTM-ZIFCJYIRSA-N 1 0 433.625 5.084 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3cccs3)=NN12 ZINC000009046588 569498332 /nfs/dbraw/zinc/49/83/32/569498332.db2.gz CBZNIZRDUSZYLF-GOSISDBHSA-N 1 0 446.414 5.256 50 0 IKAARO COc1cccc([C@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000245279921 569501995 /nfs/dbraw/zinc/50/19/95/569501995.db2.gz JSCJBEFSQAEKEV-AHKZPQOWSA-N 1 0 436.640 5.360 50 0 IKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000009116081 569502866 /nfs/dbraw/zinc/50/28/66/569502866.db2.gz GRSKPAFUXLHTRQ-SANMLTNESA-N 1 0 445.651 5.701 50 0 IKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1cn(Cc2ccccc2C)c2ccccc12 ZINC000009116124 569502908 /nfs/dbraw/zinc/50/29/08/569502908.db2.gz RPVSYECQMCROEW-AREMUKBSSA-N 1 0 445.651 5.701 50 0 IKAARO CC(C)N(C[C@@H]1C[N@H+](Cc2cccs2)C[C@H]1c1ccccc1)C(=O)c1ccc(F)cc1 ZINC000245329189 569504052 /nfs/dbraw/zinc/50/40/52/569504052.db2.gz RJNAEEVBEKVLCJ-DHLKQENFSA-N 1 0 436.596 5.654 50 0 IKAARO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[N@H+]3CCCC[C@H]3C)cc21 ZINC000245380710 569505573 /nfs/dbraw/zinc/50/55/73/569505573.db2.gz IKXAZHVMIKPYHS-XXBNENTESA-N 1 0 434.580 5.064 50 0 IKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000009151100 569507384 /nfs/dbraw/zinc/50/73/84/569507384.db2.gz YYFKJEWHNTWVTL-UHFFFAOYSA-N 1 0 428.989 5.200 50 0 IKAARO CC[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000009151187 569507481 /nfs/dbraw/zinc/50/74/81/569507481.db2.gz MIOMCGVWOXVZEM-UHFFFAOYSA-N 1 0 448.380 5.415 50 0 IKAARO CCOc1ccc([C@@](O)(c2ccccc2OC)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000009194855 569510956 /nfs/dbraw/zinc/51/09/56/569510956.db2.gz OUHVRNJOMYNWKA-LMSSTIIKSA-N 1 0 445.603 5.600 50 0 IKAARO CCOc1ccc([C@@](O)(c2ccc(C)cc2)[C@@H](C[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000009195326 569511016 /nfs/dbraw/zinc/51/10/16/569511016.db2.gz JNAOVDHNGJVKKI-KYJUHHDHSA-N 1 0 443.631 6.289 50 0 IKAARO O=C(Nc1ccc(Cl)cc1Cl)c1cnn(-c2ccc(F)cc2)c1C1CC[NH2+]CC1 ZINC000009227405 569513394 /nfs/dbraw/zinc/51/33/94/569513394.db2.gz FCMZVNFHPJFBRS-UHFFFAOYSA-N 1 0 433.314 5.038 50 0 IKAARO CCCC[N@H+](CC)CCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(Cl)cc1 ZINC000009229124 569513707 /nfs/dbraw/zinc/51/37/07/569513707.db2.gz LJYHPKZWNOCBER-UHFFFAOYSA-N 1 0 440.031 5.812 50 0 IKAARO Cc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000009265409 569517360 /nfs/dbraw/zinc/51/73/60/569517360.db2.gz MVKYZBBRTDFXFF-UHFFFAOYSA-N 1 0 445.563 5.084 50 0 IKAARO Cc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000009265460 569517395 /nfs/dbraw/zinc/51/73/95/569517395.db2.gz FNHZCCKDPPBEKG-UHFFFAOYSA-N 1 0 445.563 5.084 50 0 IKAARO CC1=C(c2ccccc2)[N@H+](Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000009287911 569519281 /nfs/dbraw/zinc/51/92/81/569519281.db2.gz VDDUSYQXSVDMQA-IHLOFXLRSA-N 1 0 443.590 7.216 50 0 IKAARO CC1=C(c2ccccc2)[N@H+](Cc2ccccc2)C[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000009287901 569519292 /nfs/dbraw/zinc/51/92/92/569519292.db2.gz VDDUSYQXSVDMQA-KYJUHHDHSA-N 1 0 443.590 7.216 50 0 IKAARO Cc1ccc2c(c1)[nH]c(C(=O)NCC[N@H+]1CCCC[C@H]1C)c2Sc1ccc(Cl)cc1 ZINC000009288291 569519348 /nfs/dbraw/zinc/51/93/48/569519348.db2.gz WJEVSNKSXSTWMO-QGZVFWFLSA-N 1 0 442.028 5.885 50 0 IKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009300123 569520568 /nfs/dbraw/zinc/52/05/68/569520568.db2.gz MRVMSAOKTCDCPQ-NRFANRHFSA-N 1 0 430.379 5.737 50 0 IKAARO Clc1ccccc1C1=NN2[C@@H](C1)c1ccccc1OC21CC[NH+](Cc2ccccc2)CC1 ZINC000009358343 569525578 /nfs/dbraw/zinc/52/55/78/569525578.db2.gz IHEQFHABQCJACT-VWLOTQADSA-N 1 0 443.978 5.876 50 0 IKAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1Cc1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000009387091 569528433 /nfs/dbraw/zinc/52/84/33/569528433.db2.gz DURMWSIALPGTGF-MUUNZHRXSA-N 1 0 444.575 5.364 50 0 IKAARO CC[C@H]1CCCC[N@@H+]1CCCNc1nnc2c3ccccc3n(Cc3ccc(C)cc3)c2n1 ZINC000009405487 569529918 /nfs/dbraw/zinc/52/99/18/569529918.db2.gz FRVXNNALJIHVAS-QFIPXVFZSA-N 1 0 442.611 5.403 50 0 IKAARO CCC[NH+](CCC)C[C@H](O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(C)cc1 ZINC000009409339 569530962 /nfs/dbraw/zinc/53/09/62/569530962.db2.gz QQCWOKNYDSKEST-QHCPKHFHSA-N 1 0 436.596 5.312 50 0 IKAARO Brc1c(OCCC[N@@H+]2CCCC[C@H]2c2cccnc2)ccc2ccccc21 ZINC000009410983 569531440 /nfs/dbraw/zinc/53/14/40/569531440.db2.gz DZPPULQLLRCPBO-NRFANRHFSA-N 1 0 425.370 5.993 50 0 biogenic IKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009411318 569531514 /nfs/dbraw/zinc/53/15/14/569531514.db2.gz RPTDIMKJZOPARV-OAQYLSRUSA-N 1 0 427.495 5.032 50 0 IKAARO COc1ccccc1OCC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000009464542 569537736 /nfs/dbraw/zinc/53/77/36/569537736.db2.gz IRFZIYRHTKRRFY-UHFFFAOYSA-N 1 0 445.346 5.423 50 0 IKAARO COc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)cc1 ZINC000009464967 569537765 /nfs/dbraw/zinc/53/77/65/569537765.db2.gz ZUBNXYQNHYIIDE-XMMPIXPASA-N 1 0 444.531 5.056 50 0 IKAARO COc1ccc([C@H](CNC(=S)Nc2ccc(SC(F)F)cc2)[NH+]2CCCC2)cc1 ZINC000009491230 569540341 /nfs/dbraw/zinc/54/03/41/569540341.db2.gz RWESMSWETBMWNG-IBGZPJMESA-N 1 0 437.581 5.133 50 0 IKAARO Cc1ccc(C)c(NC(=O)[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2)c1 ZINC000009516069 569543398 /nfs/dbraw/zinc/54/33/98/569543398.db2.gz IDYCCDJTDBRBRE-MUUNZHRXSA-N 1 0 441.619 5.759 50 0 IKAARO Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC[NH+]2CCCCCC2)nn1 ZINC000009578246 569548293 /nfs/dbraw/zinc/54/82/93/569548293.db2.gz JCQIGJIWNLEHSN-UHFFFAOYSA-N 1 0 428.602 5.683 50 0 IKAARO CCCC1=Nc2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3CC)ccc2Sc2ccccc21 ZINC000009607966 569552098 /nfs/dbraw/zinc/55/20/98/569552098.db2.gz LGYHUJOLZJSDJW-NRFANRHFSA-N 1 0 449.664 6.457 50 0 IKAARO COc1ccccc1Nc1c2cc(NC(=O)CC3CCCCC3)ccc2[nH+]c2c1CCCC2 ZINC000009612242 569552883 /nfs/dbraw/zinc/55/28/83/569552883.db2.gz SQENNMNKOMDDFF-UHFFFAOYSA-N 1 0 443.591 6.775 50 0 IKAARO CCOC(=O)c1c2c(sc1NC(=O)c1ccc(Cl)s1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000009639908 569555299 /nfs/dbraw/zinc/55/52/99/569555299.db2.gz AJVFDASRSDRFRP-UHFFFAOYSA-N 1 0 426.991 5.051 50 0 IKAARO Cc1ccc(C)c(Nc2cc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)c1 ZINC000009680777 569560214 /nfs/dbraw/zinc/56/02/14/569560214.db2.gz CDWAUNXVXDDJGO-SFTDATJTSA-N 1 0 444.623 5.693 50 0 IKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)C1 ZINC000009722304 569563441 /nfs/dbraw/zinc/56/34/41/569563441.db2.gz WKSYPXGXVNLNKM-IYBDPMFKSA-N 1 0 445.032 5.053 50 0 IKAARO Cc1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3C)c2C2CC[NH2+]CC2)cc1Cl ZINC000009728051 569564088 /nfs/dbraw/zinc/56/40/88/569564088.db2.gz TYYIRHXUJDIIBC-UHFFFAOYSA-N 1 0 443.378 5.515 50 0 IKAARO Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1cccc(Oc2ccccc2)c1 ZINC000009763717 569566628 /nfs/dbraw/zinc/56/66/28/569566628.db2.gz NDDXFHZEWVHGHO-UHFFFAOYSA-N 1 0 434.337 6.254 50 0 IKAARO COc1ccc(-c2c[nH+]c(NCc3ccc(OC)c(OCc4ccccc4)c3)n2C)cc1 ZINC000009805804 569568822 /nfs/dbraw/zinc/56/88/22/569568822.db2.gz WQRYFKCONMQHIF-UHFFFAOYSA-N 1 0 429.520 5.295 50 0 IKAARO Cn1c(-c2ccc(-c3ccccc3)cc2)c[nH+]c1NCc1c(F)cccc1Br ZINC000009805801 569568824 /nfs/dbraw/zinc/56/88/24/569568824.db2.gz IWNQXNPFLMGZLO-UHFFFAOYSA-N 1 0 436.328 6.268 50 0 IKAARO [NH2+]=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1cccc(Cl)c1Cl ZINC000009969172 569576005 /nfs/dbraw/zinc/57/60/05/569576005.db2.gz BIAHMJBZKHWCDV-UHFFFAOYSA-N 1 0 428.319 5.170 50 0 IKAARO Clc1ccc(-c2n[nH]c3ccc(Nc4c5c([nH+]c6ccccc64)CCC5)cc32)cc1Cl ZINC000071405489 569576910 /nfs/dbraw/zinc/57/69/10/569576910.db2.gz PUNHKIRNJONRNZ-UHFFFAOYSA-N 1 0 445.353 7.317 50 0 IKAARO CC[NH+](CC)CCN(C(=O)c1ccc2ncsc2c1)c1nc2ccc(F)cc2s1 ZINC000010066529 569577609 /nfs/dbraw/zinc/57/76/09/569577609.db2.gz YSQJCKXYTUAXRG-UHFFFAOYSA-N 1 0 428.558 5.034 50 0 IKAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(Br)ccc1Cl ZINC000014651471 569583933 /nfs/dbraw/zinc/58/39/33/569583933.db2.gz FRFMWIWZFFQZDQ-UHFFFAOYSA-N 1 0 449.780 5.046 50 0 IKAARO C[NH+](C)CCN(C(=O)c1c[nH]c2ccccc12)c1nc2c(cccc2C(F)(F)F)s1 ZINC000077099354 569585201 /nfs/dbraw/zinc/58/52/01/569585201.db2.gz AURMRSFOBSJSHF-UHFFFAOYSA-N 1 0 432.471 5.005 50 0 IKAARO CC(C)c1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](C)O)CC1CC1 ZINC000036308035 569587985 /nfs/dbraw/zinc/58/79/85/569587985.db2.gz ZHCAOULCJWWPIE-LJQANCHMSA-N 1 0 437.559 5.520 50 0 IKAARO COc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000037560298 569588066 /nfs/dbraw/zinc/58/80/66/569588066.db2.gz AIUXYWCTBUFEQC-UHFFFAOYSA-N 1 0 430.548 5.015 50 0 IKAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3SCc3ccccc3F)cc2)CC1 ZINC000009470503 132232161 /nfs/dbraw/zinc/23/21/61/132232161.db2.gz SISLGAANDNESLY-UHFFFAOYSA-N 1 0 435.568 5.122 50 0 IKAARO CC(C)[C@@H]1C[C@](CC[NH+]2CCN(c3ccccc3)CC2)(Cc2ccccc2Cl)CCO1 ZINC000009420532 132234285 /nfs/dbraw/zinc/23/42/85/132234285.db2.gz VFJFJHQLZRMSMM-SVBPBHIXSA-N 1 0 441.059 5.916 50 0 IKAARO CC1CC[NH+](CC(=O)N2c3ccccc3[C@](C)(c3ccc(Cl)cc3)CC2(C)C)CC1 ZINC000001823452 132247221 /nfs/dbraw/zinc/24/72/21/132247221.db2.gz QJCBKKSUBKMWOV-SANMLTNESA-N 1 0 425.016 5.893 50 0 IKAARO Cc1ccc2c(c1)-c1c3ccccc3nc(N3CC[NH+](Cc4ccccc4)CC3)c1CS2 ZINC000008873447 132296957 /nfs/dbraw/zinc/29/69/57/132296957.db2.gz GXQKUDVPUUVQRQ-UHFFFAOYSA-N 1 0 437.612 6.138 50 0 IKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)CCS2 ZINC000009962334 132332799 /nfs/dbraw/zinc/33/27/99/132332799.db2.gz WTOPQRWHYJOWCJ-QHCPKHFHSA-N 1 0 437.653 5.183 50 0 IKAARO Clc1cccc(N2CC[NH+](Cn3c4ccccc4nc3COc3ccccc3)CC2)c1 ZINC000013097713 132344364 /nfs/dbraw/zinc/34/43/64/132344364.db2.gz JRVMRFYCHPSHMF-UHFFFAOYSA-N 1 0 432.955 5.048 50 0 IKAARO CC(=O)c1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)c1 ZINC000012574021 518421240 /nfs/dbraw/zinc/42/12/40/518421240.db2.gz QEUDXBOERKSNRY-UHFFFAOYSA-N 1 0 446.522 5.671 50 0 IKAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000012717229 519609333 /nfs/dbraw/zinc/60/93/33/519609333.db2.gz PEANSWQTVXFNDW-UHFFFAOYSA-N 1 0 446.595 5.284 50 0 IKAARO CC(C)[N@H+](CCCNC(=O)c1cc(-c2cccnc2)nc2ccccc21)Cc1ccccc1 ZINC000021934621 519643813 /nfs/dbraw/zinc/64/38/13/519643813.db2.gz REIDMAJJJRGEIF-UHFFFAOYSA-N 1 0 438.575 5.327 50 0 IKAARO CC(C)CC[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1 ZINC000035844718 519652385 /nfs/dbraw/zinc/65/23/85/519652385.db2.gz YINKNSMCTMLGCQ-UHFFFAOYSA-N 1 0 432.505 6.743 50 0 IKAARO CC(C)CCOc1ccc([C@@](O)(CC(C)C)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020443742 519675033 /nfs/dbraw/zinc/67/50/33/519675033.db2.gz LDZKPOPKPQCWMN-IZLXSDGUSA-N 1 0 439.640 5.461 50 0 IKAARO CC(C)CCOc1ccc([C@](O)(C(C)C)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020441070 519675441 /nfs/dbraw/zinc/67/54/41/519675441.db2.gz DXIIYKYODSHYAC-KAYWLYCHSA-N 1 0 425.613 5.071 50 0 IKAARO CC(C)C[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)c(F)c1 ZINC000035844670 519718850 /nfs/dbraw/zinc/71/88/50/519718850.db2.gz BPAAOVUAOJKJDR-UHFFFAOYSA-N 1 0 436.468 6.492 50 0 IKAARO CC(C)Oc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cc1 ZINC000012453914 519779191 /nfs/dbraw/zinc/77/91/91/519779191.db2.gz NXBQXRRKAAHBHZ-UHFFFAOYSA-N 1 0 435.593 5.448 50 0 IKAARO CC(C)[C@@H](C)[N@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1cccc(F)c1 ZINC000035841204 519791367 /nfs/dbraw/zinc/79/13/67/519791367.db2.gz NCQNSBBKHFBJGX-LJQANCHMSA-N 1 0 432.505 6.741 50 0 IKAARO CCN(CC)C(=O)C1CC[NH+](Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)CC1 ZINC000012710314 520444644 /nfs/dbraw/zinc/44/46/44/520444644.db2.gz LHFVGDAVICOPEZ-UHFFFAOYSA-N 1 0 444.623 5.237 50 0 IKAARO CCCC[N@H+](CC)CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728576 520476306 /nfs/dbraw/zinc/47/63/06/520476306.db2.gz SNJADVUHSXUFMS-PTGBLXJZSA-N 1 0 437.609 5.014 50 0 IKAARO CC[NH+](CC)CC(=O)Nc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 ZINC000012759402 520581285 /nfs/dbraw/zinc/58/12/85/520581285.db2.gz AFEJAJRJRAQDEV-UHFFFAOYSA-N 1 0 443.978 6.503 50 0 IKAARO CCOc1c(Br)cc(C[NH2+][C@H](C)c2ccc(Br)cc2)cc1OC ZINC000022783627 520592453 /nfs/dbraw/zinc/59/24/53/520592453.db2.gz GUAFDRJDDKIOLT-GFCCVEGCSA-N 1 0 443.179 5.470 50 0 IKAARO CC[NH+](CC)CCN(C(=O)c1ccc2ncsc2c1)c1nc2c(cccc2Cl)s1 ZINC000012140872 520639391 /nfs/dbraw/zinc/63/93/91/520639391.db2.gz QHWISHMKCAWTHG-UHFFFAOYSA-N 1 0 445.013 5.548 50 0 IKAARO CC1(C)[C@H]2CC[C@]1(C)C[N@H+](C[C@@H](O)Cn1c3ccc(Cl)cc3c3cc(Cl)ccc31)C2 ZINC000012562234 520683314 /nfs/dbraw/zinc/68/33/14/520683314.db2.gz IVFYNVUWEOJAST-IRYIGKPUSA-N 1 0 445.434 6.220 50 0 IKAARO CCCC[NH2+][C@H](c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1)c1ccccc1 ZINC000012420150 520696245 /nfs/dbraw/zinc/69/62/45/520696245.db2.gz QFPROSYDZYVJDI-QHCPKHFHSA-N 1 0 443.616 6.645 50 0 IKAARO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874901 520719554 /nfs/dbraw/zinc/71/95/54/520719554.db2.gz BKCZXOHLVZPRMT-QHCPKHFHSA-N 1 0 425.956 5.449 50 0 IKAARO CC1=C2C[C@@H]3[C@H](C[N@H+]4CC=C(c5ccc(Cl)cc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012884451 520849622 /nfs/dbraw/zinc/84/96/22/520849622.db2.gz FKEAUJZKSIRFAS-MWXBQQNOSA-N 1 0 426.000 5.887 50 0 biogenic IKAARO CCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@H+](C(C)(C)C)C3 ZINC000020828972 520978156 /nfs/dbraw/zinc/97/81/56/520978156.db2.gz GOCNFVVJPPPDNQ-UHFFFAOYSA-N 1 0 441.666 5.555 50 0 IKAARO CCCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000020594974 521362209 /nfs/dbraw/zinc/36/22/09/521362209.db2.gz UMCNNYDWAXDNHA-UHFFFAOYSA-N 1 0 434.584 5.473 50 0 IKAARO CCOc1ccccc1C[N@@H+]1CCC[C@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000012302537 521484286 /nfs/dbraw/zinc/48/42/86/521484286.db2.gz FGFHQTRMJQCAIR-GOSISDBHSA-N 1 0 430.976 5.378 50 0 IKAARO CCc1cccc2c([C@H](CC(=O)NCC[NH+](C)C)c3ccc(Cl)c(Cl)c3)c[nH]c21 ZINC000035908248 521795075 /nfs/dbraw/zinc/79/50/75/521795075.db2.gz VXCQAOJVRXXQSJ-GOSISDBHSA-N 1 0 432.395 5.237 50 0 IKAARO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CCc3ccc(O)cc3)c(C)o2)cc1 ZINC000012385554 521926378 /nfs/dbraw/zinc/92/63/78/521926378.db2.gz ALHJHBWKSPDDRG-JOCHJYFZSA-N 1 0 434.536 5.130 50 0 IKAARO CC[C@@H](C)[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000035844779 522066690 /nfs/dbraw/zinc/06/66/90/522066690.db2.gz SGWHWGOHZZQKJE-OAQYLSRUSA-N 1 0 436.571 5.599 50 0 IKAARO CC[C@H]([NH2+]C1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1)c1cccs1 ZINC000012247215 522562900 /nfs/dbraw/zinc/56/29/00/522562900.db2.gz XDODHLIPNJWOCD-QHCPKHFHSA-N 1 0 437.584 5.849 50 0 IKAARO COc1cc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3ccc(SC)cc3)C2)cc(OC)c1 ZINC000012199626 522652820 /nfs/dbraw/zinc/65/28/20/522652820.db2.gz UYHSFJAANUQPPY-SFHVURJKSA-N 1 0 428.598 5.057 50 0 IKAARO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[N@H+](C)CCCC1CCCC1 ZINC000011818937 522729037 /nfs/dbraw/zinc/72/90/37/522729037.db2.gz JWXXROPBEFMRDP-UHFFFAOYSA-N 1 0 438.641 5.113 50 0 IKAARO CC[C@@H](NC(=O)Nc1ccc(C)c(C)c1)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532213 522748293 /nfs/dbraw/zinc/74/82/93/522748293.db2.gz VAJHUHSCASZJAK-OAQYLSRUSA-N 1 0 436.625 5.806 50 0 IKAARO CC[C@@H](NC(=O)Nc1cc(C)ccc1OC)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532135 522748506 /nfs/dbraw/zinc/74/85/06/522748506.db2.gz DREZEMPBIMAHSG-GOSISDBHSA-N 1 0 438.597 5.117 50 0 IKAARO CC[C@@H](NC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)c1ccc(F)cc1 ZINC000012192437 522786881 /nfs/dbraw/zinc/78/68/81/522786881.db2.gz JKOKYTQBCQQJSU-AREMUKBSSA-N 1 0 447.554 5.145 50 0 IKAARO CC[C@@H]([NH2+]C1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1)c1cccs1 ZINC000012247214 522812989 /nfs/dbraw/zinc/81/29/89/522812989.db2.gz XDODHLIPNJWOCD-HSZRJFAPSA-N 1 0 437.584 5.849 50 0 IKAARO COCc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)o1 ZINC000012458060 522973130 /nfs/dbraw/zinc/97/31/30/522973130.db2.gz REJDNAKFOOKWFS-UHFFFAOYSA-N 1 0 438.955 5.597 50 0 IKAARO COc1cc2c(cc1C[NH+]1CCC(Cc3ccccc3)CC1)oc(C)c2-c1ccccc1 ZINC000022077634 522999889 /nfs/dbraw/zinc/99/98/89/522999889.db2.gz ILUKCVSNPQMHHF-UHFFFAOYSA-N 1 0 425.572 6.872 50 0 IKAARO COc1cc2cc(C[NH2+]Cc3ccc(C)cc3)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000012097285 523058084 /nfs/dbraw/zinc/05/80/84/523058084.db2.gz PWWGVYPWHLUTKS-UHFFFAOYSA-N 1 0 434.580 5.197 50 0 IKAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)cc1 ZINC000012432202 523140504 /nfs/dbraw/zinc/14/05/04/523140504.db2.gz LMGYSSNDQIRRHB-HXUWFJFHSA-N 1 0 436.502 5.491 50 0 IKAARO COc1ccc(-c2cn3c([n+]2-c2ccc(Br)cc2)CCc2ccccc2-3)cc1 ZINC000012558261 523145147 /nfs/dbraw/zinc/14/51/47/523145147.db2.gz VVEMXSVBBZTWIJ-UHFFFAOYSA-N 1 0 432.341 5.291 50 0 IKAARO COCCC[N@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccccc1C ZINC000035841221 523264174 /nfs/dbraw/zinc/26/41/74/523264174.db2.gz QBWOCPFSSBAFIP-UHFFFAOYSA-N 1 0 430.514 5.902 50 0 IKAARO CN(Cc1cccs1)C(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012314727 523444541 /nfs/dbraw/zinc/44/45/41/523444541.db2.gz CLJRIUTVDNBXLF-UHFFFAOYSA-N 1 0 433.017 5.460 50 0 IKAARO COc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)cc1C ZINC000012586641 523602863 /nfs/dbraw/zinc/60/28/63/523602863.db2.gz WXGKIFDVAHFHLP-FQEVSTJZSA-N 1 0 448.529 5.049 50 0 IKAARO COc1ccc(C[N@H+](CCC(C)C)Cc2cccn2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000035499769 524012242 /nfs/dbraw/zinc/01/22/42/524012242.db2.gz YIOHNNHWUOPIKM-UHFFFAOYSA-N 1 0 444.541 6.612 50 0 IKAARO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)cc1 ZINC000012746600 524029595 /nfs/dbraw/zinc/02/95/95/524029595.db2.gz IJBSLPSUVNBVRA-QFIPXVFZSA-N 1 0 430.548 5.222 50 0 IKAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)Nc3ccc(Br)cc3)CC2)c1 ZINC000021783971 524100710 /nfs/dbraw/zinc/10/07/10/524100710.db2.gz MMOBXAWHMKQODU-UHFFFAOYSA-N 1 0 430.390 5.100 50 0 IKAARO Cc1cccc(-c2nnc([C@H](C)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)o2)c1 ZINC000022785839 524127832 /nfs/dbraw/zinc/12/78/32/524127832.db2.gz WBRKATGJDMEAJQ-QFIPXVFZSA-N 1 0 438.575 5.513 50 0 IKAARO COc1cccc2c(C)cc(-c3cc4c(c(OC)c3)OCC[N@H+](CCCSC)C4)nc12 ZINC000012246832 524199553 /nfs/dbraw/zinc/19/95/53/524199553.db2.gz XSSMARGTKMPGEA-UHFFFAOYSA-N 1 0 438.593 5.175 50 0 IKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000020737367 524278155 /nfs/dbraw/zinc/27/81/55/524278155.db2.gz YRTYIEAXPZOWKH-MVDHJANMSA-N 1 0 449.620 5.155 50 0 IKAARO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000012303180 524316274 /nfs/dbraw/zinc/31/62/74/524316274.db2.gz LNTFQWNTUHBPLZ-MBNRZODZSA-N 1 0 442.987 5.501 50 0 IKAARO Cc1cccc(CN(C(=O)Nc2ccc(Cl)cc2)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000035686842 524365318 /nfs/dbraw/zinc/36/53/18/524365318.db2.gz ZWEXAXZVMMCCNA-UHFFFAOYSA-N 1 0 448.998 5.742 50 0 IKAARO Cc1cccc(CN(C(=O)Nc2cccc(F)c2)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000035686847 524366012 /nfs/dbraw/zinc/36/60/12/524366012.db2.gz LFELLPGDZCEHFU-UHFFFAOYSA-N 1 0 432.543 5.228 50 0 IKAARO Cc1cccc(C[N@@H+](Cc2cccn2Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C(C)C)c1 ZINC000035844683 524382686 /nfs/dbraw/zinc/38/26/86/524382686.db2.gz UFUOOFYQELCVPN-NRFANRHFSA-N 1 0 428.542 6.910 50 0 IKAARO C[C@H](CNC(=O)c1cccs1)Oc1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000012218675 524471713 /nfs/dbraw/zinc/47/17/13/524471713.db2.gz BMEZXGRCYRSANH-HXUWFJFHSA-N 1 0 434.605 5.325 50 0 IKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2ccccc2)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000035844707 524495275 /nfs/dbraw/zinc/49/52/75/524495275.db2.gz YTBYEDJWDQLHCM-UHFFFAOYSA-N 1 0 448.532 7.066 50 0 IKAARO COc1ccc(NC(=O)c2ccc(C[NH2+][C@H](Cc3ccccc3)c3ccccc3)cc2)cc1 ZINC000012928399 524634357 /nfs/dbraw/zinc/63/43/57/524634357.db2.gz IVGPWCARMREURN-MUUNZHRXSA-N 1 0 436.555 6.021 50 0 IKAARO C[C@@H]1CCc2c(sc3c2CSC(C(=O)NC2CC[NH+](Cc4ccccc4)CC2)=C3)C1 ZINC000020557729 524725754 /nfs/dbraw/zinc/72/57/54/524725754.db2.gz ZPZSYHIUHSOEAC-QGZVFWFLSA-N 1 0 438.662 5.241 50 0 IKAARO Cc1ccc(Cl)cc1NC(=O)c1cnn(-c2cccc(Cl)c2C)c1C1CC[NH2+]CC1 ZINC000021018073 524756486 /nfs/dbraw/zinc/75/64/86/524756486.db2.gz JJFVBNDEATUATG-UHFFFAOYSA-N 1 0 443.378 5.515 50 0 IKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccco4)CC3)cc3ccccc32)cc1 ZINC000021116214 524767001 /nfs/dbraw/zinc/76/70/01/524767001.db2.gz IRWZZIPYWZHVEJ-UHFFFAOYSA-N 1 0 441.575 5.119 50 0 IKAARO Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(C[NH+]3CCCC3)s2)n1 ZINC000020454371 524857142 /nfs/dbraw/zinc/85/71/42/524857142.db2.gz HLGPKDZZTCJXGI-HHHXNRCGSA-N 1 0 442.632 5.676 50 0 IKAARO Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000012680884 525012426 /nfs/dbraw/zinc/01/24/26/525012426.db2.gz XGGCOULABNRYHS-DEOSSOPVSA-N 1 0 440.547 5.008 50 0 IKAARO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000020905474 525135067 /nfs/dbraw/zinc/13/50/67/525135067.db2.gz KMTUKTIPOYBTDN-UHFFFAOYSA-N 1 0 425.532 5.654 50 0 IKAARO Cc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccc(F)cc2C)c2ccc(F)cc2)CC1 ZINC000034726654 525222793 /nfs/dbraw/zinc/22/27/93/525222793.db2.gz FTMKPWYYCHEGIQ-HHHXNRCGSA-N 1 0 436.546 5.914 50 0 IKAARO Cc1[nH]c2ccc(NC(=O)c3cccc(F)c3)cc2c1[C@H](c1ccccn1)[NH+]1CCCCC1 ZINC000021805723 525430447 /nfs/dbraw/zinc/43/04/47/525430447.db2.gz JDJBYQVLPIPGER-SANMLTNESA-N 1 0 442.538 5.838 50 0 IKAARO Cc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1[C@@H](c1ccccn1)[NH+]1CCCCC1 ZINC000021805764 525430697 /nfs/dbraw/zinc/43/06/97/525430697.db2.gz GHNVHLSRSDHHJU-AREMUKBSSA-N 1 0 442.538 5.838 50 0 IKAARO Cc1[nH]c2ccc(NC(=O)c3ccccc3F)cc2c1[C@@H](c1ccccn1)[NH+]1CCCCC1 ZINC000021659640 525431145 /nfs/dbraw/zinc/43/11/45/525431145.db2.gz UYXDIKWCLXNSLV-AREMUKBSSA-N 1 0 442.538 5.838 50 0 IKAARO Cc1ccc(OCc2n(C)c3ccccc3[n+]2CC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000012461761 525444392 /nfs/dbraw/zinc/44/43/92/525444392.db2.gz YYKZMLDULITNEO-WHSBFGAESA-N 1 0 449.615 5.357 50 0 IKAARO Cc1ccc([C@@H](C)CC[N@@H+]2CCC[C@@H](c3nc(SCc4cccnc4)ncc3C)C2)o1 ZINC000012152300 525680200 /nfs/dbraw/zinc/68/02/00/525680200.db2.gz HHSDWTZYUSYUHQ-PGRDOPGGSA-N 1 0 436.625 5.747 50 0 IKAARO COc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3cc(Cl)sc3Cl)nc2c1 ZINC000012141009 525696034 /nfs/dbraw/zinc/69/60/34/525696034.db2.gz NDBKVBRYWRKGIK-UHFFFAOYSA-N 1 0 444.409 5.272 50 0 IKAARO Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)C[NH+]3CCCCCC3)n2)cc1 ZINC000021659588 525713723 /nfs/dbraw/zinc/71/37/23/525713723.db2.gz BKZJFQFMZWOVAZ-UHFFFAOYSA-N 1 0 434.971 5.587 50 0 IKAARO COc1cccc(-c2cnc(-c3ccncc3)nc2C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000012128932 525714985 /nfs/dbraw/zinc/71/49/85/525714985.db2.gz XZFNHWMBYWZNRW-UHFFFAOYSA-N 1 0 442.588 5.655 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3ccc(OC)cc3F)CC2)c1 ZINC000012572706 525715639 /nfs/dbraw/zinc/71/56/39/525715639.db2.gz JSZRWVQAFQQVND-UHFFFAOYSA-N 1 0 448.538 5.361 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](CC[C@H](C)c3ccc(C)o3)CC2)c1 ZINC000012597500 525715747 /nfs/dbraw/zinc/71/57/47/525715747.db2.gz FKRCMNYKEYAIOJ-FQEVSTJZSA-N 1 0 446.591 6.108 50 0 IKAARO COc1cccc(-c2nc3c(OC)ccc(OC)c3cc2C[NH2+]CCc2ccccc2)c1 ZINC000014971113 525726675 /nfs/dbraw/zinc/72/66/75/525726675.db2.gz BBLXQAVAOCIUIP-UHFFFAOYSA-N 1 0 428.532 5.260 50 0 IKAARO Cc1ccsc1C(=O)N(Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012449317 525819367 /nfs/dbraw/zinc/81/93/67/525819367.db2.gz QVIIIKSDQMQGRT-UHFFFAOYSA-N 1 0 433.621 5.315 50 0 IKAARO Cc1c([C@@H](C)[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)cnn1-c1cccc2ccccc21 ZINC000014971514 525900267 /nfs/dbraw/zinc/90/02/67/525900267.db2.gz SABZAWKXYNWEKX-GOSISDBHSA-N 1 0 425.511 5.510 50 0 IKAARO Cc1ccc(-n2c(SC[C@@H]3C[N@H+](CC(C)C)CCO3)nnc2-c2ccccc2)cc1C ZINC000013145868 525901890 /nfs/dbraw/zinc/90/18/90/525901890.db2.gz CTGFEBZDJMGKFP-QHCPKHFHSA-N 1 0 436.625 5.000 50 0 IKAARO Cc1ccc(-n2ncc(C(=O)Nc3cccc(Cl)c3Cl)c2C2CC[NH2+]CC2)cc1C ZINC000020857664 525932583 /nfs/dbraw/zinc/93/25/83/525932583.db2.gz DKGORDJOCXRXHX-UHFFFAOYSA-N 1 0 443.378 5.515 50 0 IKAARO COc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1OC ZINC000012111908 525932911 /nfs/dbraw/zinc/93/29/11/525932911.db2.gz QUMAIVJCNUJBMM-UHFFFAOYSA-N 1 0 448.538 5.361 50 0 IKAARO COc1cccc(C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)c1OC ZINC000012432407 526025371 /nfs/dbraw/zinc/02/53/71/526025371.db2.gz KCFTUAITJSMJCN-UHFFFAOYSA-N 1 0 431.511 5.294 50 0 IKAARO Cc1ccc(C(=O)N(Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000012308866 526076949 /nfs/dbraw/zinc/07/69/49/526076949.db2.gz SIHIFYAJJRNYLM-UHFFFAOYSA-N 1 0 433.621 5.315 50 0 IKAARO Cc1ccc2c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc(=O)oc2c1C ZINC000020502334 526129911 /nfs/dbraw/zinc/12/99/11/526129911.db2.gz SEIGUHUSQBICMN-UHFFFAOYSA-N 1 0 438.571 5.317 50 0 IKAARO C[C@@H](c1nnc(-c2cccs2)o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022790779 526184673 /nfs/dbraw/zinc/18/46/73/526184673.db2.gz SAMOERHBQIGBJM-IBGZPJMESA-N 1 0 430.577 5.266 50 0 IKAARO O[C@H](COc1ccccc1)C[N@H+](Cc1cccn1Cc1ccccc1F)Cc1ccccc1 ZINC000035840613 526290546 /nfs/dbraw/zinc/29/05/46/526290546.db2.gz OIZRDIIZVVXNGO-SANMLTNESA-N 1 0 444.550 5.118 50 0 IKAARO O=C(C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1)N1CCCCC1 ZINC000035451516 526302950 /nfs/dbraw/zinc/30/29/50/526302950.db2.gz CCAKYRKHWCACMU-UHFFFAOYSA-N 1 0 433.571 5.053 50 0 IKAARO c1cc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)n(-c2ccccn2)c1 ZINC000012308843 526422680 /nfs/dbraw/zinc/42/26/80/526422680.db2.gz PIUWYLSUBZHTIW-RUZDIDTESA-N 1 0 443.639 5.314 50 0 IKAARO c1ccc(CC[NH+]2CCN(c3nc(C4CC4)nc4sc5c(c43)CCCCC5)CC2)cc1 ZINC000035892945 526465067 /nfs/dbraw/zinc/46/50/67/526465067.db2.gz QIVSVYVRHISFEI-UHFFFAOYSA-N 1 0 432.637 5.202 50 0 IKAARO c1cnc2c(c1)nc(C1CCCCC1)n2C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000012508555 526543570 /nfs/dbraw/zinc/54/35/70/526543570.db2.gz JCPYEZZTADJIQJ-UHFFFAOYSA-N 1 0 432.568 5.087 50 0 IKAARO c1cncc(CN(Cc2nc3c(s2)CCCC3)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000012307946 526546082 /nfs/dbraw/zinc/54/60/82/526546082.db2.gz UTESDEKZOQAOML-JOCHJYFZSA-N 1 0 438.685 5.464 50 0 IKAARO O=C(CC[C@H]1CCC[N@H+](CC2=Cc3cc(Cl)ccc3OC2)C1)Nc1ccccc1F ZINC000012576141 526569960 /nfs/dbraw/zinc/56/99/60/526569960.db2.gz XRPIKODRNMGXSO-QGZVFWFLSA-N 1 0 428.935 5.386 50 0 IKAARO O=C(CCc1ncc(-c2ccc(F)cc2)o1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000012804003 526657985 /nfs/dbraw/zinc/65/79/85/526657985.db2.gz PKMUMOADCWJIKO-OAQYLSRUSA-N 1 0 441.934 5.020 50 0 IKAARO O=C(c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000012376375 526669331 /nfs/dbraw/zinc/66/93/31/526669331.db2.gz OCXAQEGQAVMMIV-UHFFFAOYSA-N 1 0 446.594 6.088 50 0 IKAARO O=C(c1ccc(OC2CC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)cc1)N1CCCC1 ZINC000012478023 526707289 /nfs/dbraw/zinc/70/72/89/526707289.db2.gz KGHIREUZCSXFPK-UHFFFAOYSA-N 1 0 448.607 5.287 50 0 IKAARO Cc1nc(C)c(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)nc1C ZINC000012432812 526716988 /nfs/dbraw/zinc/71/69/88/526716988.db2.gz XALITIZLMBJKCO-UHFFFAOYSA-N 1 0 448.542 5.184 50 0 IKAARO Cc1oc(-c2ccc(C(=O)NCC[NH+]3CCCC3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682200 526728963 /nfs/dbraw/zinc/72/89/63/526728963.db2.gz KDRJYGDKTBAQFJ-UHFFFAOYSA-N 1 0 435.593 5.076 50 0 IKAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000012298355 526732642 /nfs/dbraw/zinc/73/26/42/526732642.db2.gz NFSPLSZEOIAUMF-UHFFFAOYSA-N 1 0 440.469 5.925 50 0 IKAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000012429641 526732723 /nfs/dbraw/zinc/73/27/23/526732723.db2.gz XOJPXNHDWAUELD-UHFFFAOYSA-N 1 0 430.470 5.850 50 0 IKAARO Cc1oc(-c2cccs2)nc1CN(C)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012471587 526745171 /nfs/dbraw/zinc/74/51/71/526745171.db2.gz KFOVMCQZWDFKPG-HXUWFJFHSA-N 1 0 427.589 5.237 50 0 IKAARO O=C(C[NH2+][C@H](CCCc1ccccc1)c1ccccc1)Nc1cc2c(cc1Cl)OCO2 ZINC000012874824 526891377 /nfs/dbraw/zinc/89/13/77/526891377.db2.gz BWIHJQOMJAJTQX-OAQYLSRUSA-N 1 0 436.939 5.361 50 0 IKAARO O=C(c1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000012718443 526899365 /nfs/dbraw/zinc/89/93/65/526899365.db2.gz QLDCGJUGBRODIJ-JOCHJYFZSA-N 1 0 449.542 5.167 50 0 IKAARO O=C(c1nc2ccc(Cl)cn2c1C[NH2+]Cc1ccc(Cl)cc1)N1CCCCCCC1 ZINC000020454573 526917702 /nfs/dbraw/zinc/91/77/02/526917702.db2.gz QCMKMSRDXBEZRL-UHFFFAOYSA-N 1 0 445.394 5.337 50 0 IKAARO Clc1ccc(COc2ccc(Br)cc2C[NH2+]C2CCCCCCC2)cc1 ZINC000022076303 526951708 /nfs/dbraw/zinc/95/17/08/526951708.db2.gz UUTMNEGPALQKDN-UHFFFAOYSA-N 1 0 436.821 6.884 50 0 IKAARO Clc1ccccc1-c1cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)no1 ZINC000022924103 526983285 /nfs/dbraw/zinc/98/32/85/526983285.db2.gz QLZIXLSQKORVGD-UHFFFAOYSA-N 1 0 443.978 5.902 50 0 IKAARO Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]C2CCCCCC2)C4)cs1 ZINC000012218466 527036573 /nfs/dbraw/zinc/03/65/73/527036573.db2.gz HDXCYOOUYHQURO-RHSMWYFYSA-N 1 0 442.654 5.002 50 0 IKAARO Cn1cc(C[NH+]2CCC(OCc3ccccn3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012195531 527196595 /nfs/dbraw/zinc/19/65/95/527196595.db2.gz MXFIHLIXUBXAQX-UHFFFAOYSA-N 1 0 444.623 5.711 50 0 IKAARO Cn1cc(C[NH+]2CCC([C@H](O)c3ccccn3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012319954 527197663 /nfs/dbraw/zinc/19/76/63/527197663.db2.gz XARPBTFBQZWOLH-NDEPHWFRSA-N 1 0 444.623 5.475 50 0 IKAARO Cn1cc(C[NH+]2CCC([C@@H](O)c3cccnc3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012448716 527198113 /nfs/dbraw/zinc/19/81/13/527198113.db2.gz ZUKLGHIMOXCQDH-MUUNZHRXSA-N 1 0 444.623 5.475 50 0 IKAARO O=C(Cn1c(-c2cccs2)cc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000035373591 527348712 /nfs/dbraw/zinc/34/87/12/527348712.db2.gz YUPHNHATERRSPN-UHFFFAOYSA-N 1 0 429.589 5.151 50 0 IKAARO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000012307973 527433878 /nfs/dbraw/zinc/43/38/78/527433878.db2.gz JMCDKRUGWXELCN-LWQICCLCSA-N 1 0 431.511 5.377 50 0 IKAARO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1)c1c(Cl)cc(Cl)cc1Cl ZINC000022638981 527544224 /nfs/dbraw/zinc/54/42/24/527544224.db2.gz BEGYLWSSBNNNMA-AYHJJNSGSA-N 1 0 437.798 5.615 50 0 IKAARO O=C(NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000020889629 527609179 /nfs/dbraw/zinc/60/91/79/527609179.db2.gz WSKFUGPZKOQRKM-UHFFFAOYSA-N 1 0 425.882 5.393 50 0 IKAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000015733553 527665586 /nfs/dbraw/zinc/66/55/86/527665586.db2.gz SCVPNVFMNGSFOV-UHFFFAOYSA-N 1 0 448.611 5.057 50 0 IKAARO COc1ccccc1N1CCN(C2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)CC1 ZINC000004551476 537068570 /nfs/dbraw/zinc/06/85/70/537068570.db2.gz YZFXPPSMSHQDFB-UHFFFAOYSA-N 1 0 433.640 5.008 50 0 IKAARO CC1(C)[C@H]2CC[C@]1(C)C[N@H+](C[C@H](O)Cn1c3ccc(Cl)cc3c3cc(Cl)ccc31)C2 ZINC000000626556 555512920 /nfs/dbraw/zinc/51/29/20/555512920.db2.gz IVFYNVUWEOJAST-RSLCBRBSSA-N 1 0 445.434 6.220 50 0 IKAARO COc1cc2c(cc1OC)[C@H](O)C(C)(C)[N@H+](CCC(c1ccccc1)c1ccccc1)C2 ZINC000000755133 555553767 /nfs/dbraw/zinc/55/37/67/555553767.db2.gz LWHIZVSTKKDMAP-MHZLTWQESA-N 1 0 431.576 5.554 50 0 biogenic IKAARO CC[NH+](CC)C[C@@H](O)Cn1c2c(ccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1 ZINC000002083324 555738898 /nfs/dbraw/zinc/73/88/98/555738898.db2.gz LOFMOFMAWPKIMA-AREMUKBSSA-N 1 0 448.610 6.831 50 0 IKAARO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000002177968 555752837 /nfs/dbraw/zinc/75/28/37/555752837.db2.gz JBNKFMJUNYELGY-SFHVURJKSA-N 1 0 440.381 6.278 50 0 IKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH+]1CCCCCC1 ZINC000002182535 555754249 /nfs/dbraw/zinc/75/42/49/555754249.db2.gz LLWPDFYUYHVKRQ-AREMUKBSSA-N 1 0 438.615 6.521 50 0 IKAARO CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000034671598 555793044 /nfs/dbraw/zinc/79/30/44/555793044.db2.gz BZGNDTZUVYELPW-IZLXSDGUSA-N 1 0 442.603 5.436 50 0 IKAARO CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000034671600 555793193 /nfs/dbraw/zinc/79/31/93/555793193.db2.gz BZGNDTZUVYELPW-WUFINQPMSA-N 1 0 442.603 5.436 50 0 IKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@@H](C)C(=O)NC4CC4)cc3[C@H]2c2ccccc2)c1 ZINC000034671815 555793414 /nfs/dbraw/zinc/79/34/14/555793414.db2.gz ACMDUCRFEHHFLQ-RBTNQOKQSA-N 1 0 440.587 5.189 50 0 IKAARO O=C(c1cccc(F)c1)N1C[C@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034698000 555811854 /nfs/dbraw/zinc/81/18/54/555811854.db2.gz LFGAMHITTZXTMW-SIKLNZKXSA-N 1 0 434.477 5.186 50 0 IKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc[nH]2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698766 555812316 /nfs/dbraw/zinc/81/23/16/555812316.db2.gz XPMZOHXHEZSRQC-ATIYNZHBSA-N 1 0 433.571 5.229 50 0 IKAARO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc[nH]2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698767 555812469 /nfs/dbraw/zinc/81/24/69/555812469.db2.gz XPMZOHXHEZSRQC-GJZUVCINSA-N 1 0 433.571 5.229 50 0 IKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C2)o1 ZINC000034698954 555812513 /nfs/dbraw/zinc/81/25/13/555812513.db2.gz LAYZZVWVEAYMPA-XTEPFMGCSA-N 1 0 444.619 5.910 50 0 IKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698794 555812520 /nfs/dbraw/zinc/81/25/20/555812520.db2.gz CDIYKANMJTXJDE-SHQCIBLASA-N 1 0 429.608 5.100 50 0 IKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000034698984 555812532 /nfs/dbraw/zinc/81/25/32/555812532.db2.gz MTFSYEJGJHCSJB-JYFHCDHNSA-N 1 0 445.582 5.235 50 0 IKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698798 555812546 /nfs/dbraw/zinc/81/25/46/555812546.db2.gz IDYBSXZMTOQFNX-LEAFIULHSA-N 1 0 444.594 5.901 50 0 IKAARO Cc1ccc(C[N@@H+]2C[C@@H](c3ccc(C)cc3)[C@@H](CN(C(=O)c3ccccc3)C(C)C)C2)cc1 ZINC000034699080 555812818 /nfs/dbraw/zinc/81/28/18/555812818.db2.gz GKXFADCWXQLVNI-WDYNHAJCSA-N 1 0 440.631 6.070 50 0 IKAARO Cc1ccsc1C[N@@H+]1C[C@@H](c2ccc(C)cc2)[C@@H](CN(C(=O)c2ccccc2)C(C)C)C1 ZINC000034699090 555813170 /nfs/dbraw/zinc/81/31/70/555813170.db2.gz BWNFSHOBSPVFIE-FTJBHMTQSA-N 1 0 446.660 6.131 50 0 IKAARO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@H+](Cc4ccccc4)CC3)nc2)cc1 ZINC000034681640 555814949 /nfs/dbraw/zinc/81/49/49/555814949.db2.gz IXKCJARRTJLRRS-UHFFFAOYSA-N 1 0 442.607 5.344 50 0 IKAARO CC[C@@H](C(=O)Nc1ccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nc1)c1ccccc1 ZINC000034681882 555815644 /nfs/dbraw/zinc/81/56/44/555815644.db2.gz YOEQYGYNUOIKOB-RUZDIDTESA-N 1 0 446.570 5.065 50 0 IKAARO CC[C@H](C(=O)Nc1ccc(N2CCC[N@H+](Cc3cccc(C)c3)CC2)nc1)c1ccccc1 ZINC000034681895 555815758 /nfs/dbraw/zinc/81/57/58/555815758.db2.gz LVPMRNHXYCZPAS-SANMLTNESA-N 1 0 442.607 5.235 50 0 IKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3cccs3)c3ccccc3)CC2)c(OC)c1 ZINC000034682497 555816406 /nfs/dbraw/zinc/81/64/06/555816406.db2.gz HKYQBQNVCORDRG-UHFFFAOYSA-N 1 0 436.577 5.077 50 0 IKAARO Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000034682899 555817507 /nfs/dbraw/zinc/81/75/07/555817507.db2.gz MQCBLCPAVGHPOZ-UHFFFAOYSA-N 1 0 444.594 6.569 50 0 IKAARO COc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccsc3)CC2)cc1OC ZINC000034682869 555817545 /nfs/dbraw/zinc/81/75/45/555817545.db2.gz LLIWBPLARZUSSY-UHFFFAOYSA-N 1 0 436.577 5.077 50 0 IKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(C)cc3)CC2)c(OC)c1 ZINC000034682943 555817556 /nfs/dbraw/zinc/81/75/56/555817556.db2.gz BQGNZWCXEFPVRA-UHFFFAOYSA-N 1 0 444.575 5.324 50 0 IKAARO CCc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000034683090 555818086 /nfs/dbraw/zinc/81/80/86/555818086.db2.gz KIPAVCQZACUIRD-UHFFFAOYSA-N 1 0 432.995 6.214 50 0 IKAARO COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC000034683599 555819101 /nfs/dbraw/zinc/81/91/01/555819101.db2.gz XWDUMGKEVCSKRN-UHFFFAOYSA-N 1 0 446.566 5.763 50 0 IKAARO Cc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3F)c3ccc(F)cc3)CC2)cc1C ZINC000034683573 555819131 /nfs/dbraw/zinc/81/91/31/555819131.db2.gz WEWATUQJJDCKML-UHFFFAOYSA-N 1 0 434.530 5.893 50 0 IKAARO COc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(C)c(C)c3)CC2)c1 ZINC000034683608 555819149 /nfs/dbraw/zinc/81/91/49/555819149.db2.gz YKKZQIRYQIKOAF-UHFFFAOYSA-N 1 0 428.576 5.623 50 0 IKAARO CCCC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000034683641 555819157 /nfs/dbraw/zinc/81/91/57/555819157.db2.gz LNVGCFVEJCPACK-UHFFFAOYSA-N 1 0 436.493 5.951 50 0 IKAARO Cc1ccc(N(C2CC[NH+](Cc3cccs3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000034683781 555819481 /nfs/dbraw/zinc/81/94/81/555819481.db2.gz UFKVFUKZNFXQMP-UHFFFAOYSA-N 1 0 440.634 5.225 50 0 IKAARO Cc1ccc(N(C2CC[NH+](CCC(C)C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000034683753 555819526 /nfs/dbraw/zinc/81/95/26/555819526.db2.gz MCYLFYFCRBXLGM-UHFFFAOYSA-N 1 0 435.033 5.354 50 0 IKAARO Cc1cccc(N2CC[NH+](Cc3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)CC2)c1C ZINC000034684866 555820721 /nfs/dbraw/zinc/82/07/21/555820721.db2.gz RPVLGHYGNIYZND-QHCPKHFHSA-N 1 0 427.592 5.117 50 0 IKAARO Cc1cccc([C@@H]2C[C@H](C(=O)NCCc3ccccc3)C[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000034711210 555824081 /nfs/dbraw/zinc/82/40/81/555824081.db2.gz YDMKWTYGMQDKGS-FTJBHMTQSA-N 1 0 430.567 5.099 50 0 IKAARO Cc1cccc(CNC(=O)[C@@H]2C[C@H](c3ccccc3)C[N@H+](Cc3ccc(F)c(F)c3)C2)c1 ZINC000034711390 555824560 /nfs/dbraw/zinc/82/45/60/555824560.db2.gz PBRQTRFVQCMQAC-BJKOFHAPSA-N 1 0 434.530 5.195 50 0 IKAARO Cc1cc(C)c(OCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c(Br)c1 ZINC000002841193 555835585 /nfs/dbraw/zinc/83/55/85/555835585.db2.gz CCOJPQJQJILWDW-UHFFFAOYSA-N 1 0 431.374 5.069 50 0 IKAARO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(I)c1OC(C)C ZINC000002863713 555846386 /nfs/dbraw/zinc/84/63/86/555846386.db2.gz YQOQQCJSJXOSBT-HNNXBMFYSA-N 1 0 439.337 5.328 50 0 IKAARO Cc1ccc([C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2CN2CCN(c3ccccc3)CC2)cc1 ZINC000034723378 555861908 /nfs/dbraw/zinc/86/19/08/555861908.db2.gz QAVFCVZATIHAMQ-IGKIAQTJSA-N 1 0 431.649 5.094 50 0 IKAARO Cc1ccc([C@H]2C[N@H+](Cc3cccs3)C[C@@H]2CN2CCN(c3ccccc3)CC2)cc1 ZINC000034723380 555862054 /nfs/dbraw/zinc/86/20/54/555862054.db2.gz QAVFCVZATIHAMQ-RPLLCQBOSA-N 1 0 431.649 5.094 50 0 IKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000002914327 555862245 /nfs/dbraw/zinc/86/22/45/555862245.db2.gz DYRKYRSWTTUQDQ-MHZLTWQESA-N 1 0 446.594 6.434 50 0 IKAARO Cc1ccc(O[C@@H](CCN2CC[NH+](Cc3ccccc3)CC2)c2cccc(Cl)c2)cc1 ZINC000034728587 555868573 /nfs/dbraw/zinc/86/85/73/555868573.db2.gz LAEJPVFKCAKJGR-MHZLTWQESA-N 1 0 435.011 5.976 50 0 IKAARO C[N@H+](CC[C@@H](Oc1ccc(F)cc1Cl)c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000034728479 555868700 /nfs/dbraw/zinc/86/87/00/555868700.db2.gz MEIDFSKYSGUDDH-OAQYLSRUSA-N 1 0 427.903 5.850 50 0 IKAARO Cc1ccc(C(=O)NCCCc2ccccc2)c(C2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000034730038 555869665 /nfs/dbraw/zinc/86/96/65/555869665.db2.gz DLSJVGGBSZENGH-UHFFFAOYSA-N 1 0 445.582 5.271 50 0 IKAARO Cc1cccc(CNC(=O)c2ccc(C)nc2C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000034730006 555869715 /nfs/dbraw/zinc/86/97/15/555869715.db2.gz HASFXFJNTZYHHM-UHFFFAOYSA-N 1 0 448.010 5.661 50 0 IKAARO Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c(C2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000034730111 555869722 /nfs/dbraw/zinc/86/97/22/555869722.db2.gz UFDNIFQKAXHHNG-ATIYNZHBSA-N 1 0 449.614 5.704 50 0 IKAARO Cc1ccc(Cl)cc1NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000002979267 555871172 /nfs/dbraw/zinc/87/11/72/555871172.db2.gz HOIGDCZYTBQVND-UHFFFAOYSA-N 1 0 432.995 6.355 50 0 IKAARO COc1ccc(C[NH+]2CCC(c3nc(C)ccc3C(=O)NCc3cccc(C)c3)CC2)cc1 ZINC000034725801 555881814 /nfs/dbraw/zinc/88/18/14/555881814.db2.gz XOPFJRXLRIHVSD-UHFFFAOYSA-N 1 0 443.591 5.017 50 0 IKAARO Cc1ccc(F)c(O[C@@H](CC[NH+]2CCN(c3ccccc3C)CC2)c2ccc(F)cc2)c1 ZINC000034726646 555882063 /nfs/dbraw/zinc/88/20/63/555882063.db2.gz QLSASISXOLSEGW-SANMLTNESA-N 1 0 436.546 5.914 50 0 IKAARO Cc1cc(O[C@@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc(C(C)C)c1 ZINC000034727191 555882304 /nfs/dbraw/zinc/88/23/04/555882304.db2.gz DULFVTWEIMQJEN-LJAQVGFWSA-N 1 0 446.610 6.590 50 0 IKAARO COc1cccc([C@H]2C[N@H+](Cc3ccsc3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740318 555883242 /nfs/dbraw/zinc/88/32/42/555883242.db2.gz AWVONRIQQGFJOA-LADGPHEKSA-N 1 0 428.642 5.113 50 0 IKAARO O=C(NCCSc1ccccn1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004088942 555961123 /nfs/dbraw/zinc/96/11/23/555961123.db2.gz HGHGFTSDVSJLCV-UHFFFAOYSA-N 1 0 445.632 5.058 50 0 IKAARO CCCCCOc1cccc(NC(=O)OC(CN2CCCCC2)C[NH+]2CCCCC2)c1 ZINC000004566958 556001454 /nfs/dbraw/zinc/00/14/54/556001454.db2.gz TZOXKFPOSPBVEI-UHFFFAOYSA-N 1 0 431.621 5.145 50 0 IKAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)cc1 ZINC000004672517 556005934 /nfs/dbraw/zinc/00/59/34/556005934.db2.gz VVOZUWZBUHMMSD-UHFFFAOYSA-N 1 0 428.576 5.102 50 0 IKAARO COc1ccc(CNC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000004676217 556005985 /nfs/dbraw/zinc/00/59/85/556005985.db2.gz JAUOVTMQVAOXOT-UHFFFAOYSA-N 1 0 428.576 5.080 50 0 IKAARO CC[NH+](CC)CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 ZINC000004812046 556013069 /nfs/dbraw/zinc/01/30/69/556013069.db2.gz MJPXJRRCLPOYJM-UHFFFAOYSA-N 1 0 427.639 5.068 50 0 IKAARO CCOc1ccc([C@@](O)(c2ccccc2OC)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000004867467 556016950 /nfs/dbraw/zinc/01/69/50/556016950.db2.gz ZDJGXDXVDUHJFM-IXCJQBJRSA-N 1 0 431.576 5.209 50 0 IKAARO CCOc1ccc([C@]2(O)CN3CCCCCC3=[N+]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000005593080 556060417 /nfs/dbraw/zinc/06/04/17/556060417.db2.gz WCWOKWLNOFISHM-MUUNZHRXSA-N 1 0 427.568 5.403 50 0 IKAARO COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CC[NH+](C(C)C)CC2)cc1 ZINC000006832722 556105820 /nfs/dbraw/zinc/10/58/20/556105820.db2.gz AKVNLPAONHYBMO-QFIPXVFZSA-N 1 0 425.960 5.093 50 0 IKAARO C(\c1ccccc1)=C1\CCCC2=C1O[C@]1([NH+]3CCCCC3)CCCC[C@H]1[C@H]2c1ccccc1 ZINC000008399493 556165283 /nfs/dbraw/zinc/16/52/83/556165283.db2.gz XHZACPFETSQKJX-GHXPTAAOSA-N 1 0 439.643 7.694 50 0 IKAARO CCOc1cc(C[NH2+]Cc2ccncc2)cc(Br)c1OCc1ccccc1F ZINC000008437905 556173986 /nfs/dbraw/zinc/17/39/86/556173986.db2.gz KGEZINBWNGJLSR-UHFFFAOYSA-N 1 0 445.332 5.251 50 0 IKAARO C[C@H]1CC[C@]2(C)[C@@H]3C[C@@H]4[C@H](CC[C@@H]5[C@@H]4C[N@@H+]4C[C@@H](C)CC[C@@H]4[C@@]5(C)O)[C@@H]3CC(=O)[C@H]2C1 ZINC000008438783 556174852 /nfs/dbraw/zinc/17/48/52/556174852.db2.gz YSOKTNCRCPDOCA-NFRWQEDTSA-N 1 0 427.673 5.162 50 0 IKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000008626842 556193847 /nfs/dbraw/zinc/19/38/47/556193847.db2.gz HUEIIWBYDFCOBA-LBPRGKRZSA-N 1 0 427.458 5.275 50 0 IKAARO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCO[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000008748954 556210313 /nfs/dbraw/zinc/21/03/13/556210313.db2.gz XIRRZPCWSNKZAJ-XDHUDOTRSA-N 1 0 432.366 6.459 50 0 IKAARO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCO[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000008748949 556210366 /nfs/dbraw/zinc/21/03/66/556210366.db2.gz XIRRZPCWSNKZAJ-MZNJEOGPSA-N 1 0 432.366 6.459 50 0 IKAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)o1 ZINC000008914721 556232034 /nfs/dbraw/zinc/23/20/34/556232034.db2.gz BFWQCRNTJNJMSO-UHFFFAOYSA-N 1 0 439.972 5.156 50 0 IKAARO O[C@H](CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3)C[NH+]1CCCCCC1 ZINC000013765826 556302808 /nfs/dbraw/zinc/30/28/08/556302808.db2.gz FVTKUMLHMGZMOF-CUBQBAPOSA-N 1 0 449.683 5.619 50 0 biogenic IKAARO COc1cc(C[N@H+](CCc2ccccc2)Cc2ccccc2)ccc1OCc1ccccc1 ZINC000009763575 556308681 /nfs/dbraw/zinc/30/86/81/556308681.db2.gz TYZUSUXKNZIZJW-UHFFFAOYSA-N 1 0 437.583 6.519 50 0 IKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccs3)=NN12 ZINC000013811609 556312575 /nfs/dbraw/zinc/31/25/75/556312575.db2.gz DYIUZWZEWWAQJR-SFHVURJKSA-N 1 0 446.414 5.255 50 0 IKAARO COc1cccc(C[NH+]2CCC(C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2)c1 ZINC000013896454 556329614 /nfs/dbraw/zinc/32/96/14/556329614.db2.gz SEVPUHOYOWORMA-UHFFFAOYSA-N 1 0 442.603 5.179 50 0 IKAARO CCc1ccc(C[NH+]2CCC(C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000013899272 556330833 /nfs/dbraw/zinc/33/08/33/556330833.db2.gz WUFDFJVEIYMJFZ-UHFFFAOYSA-N 1 0 440.631 5.733 50 0 IKAARO CCc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000011764496 556349617 /nfs/dbraw/zinc/34/96/17/556349617.db2.gz DOUKWMQQECUBNC-JOCHJYFZSA-N 1 0 439.563 5.038 50 0 IKAARO COC(=O)c1sc2nc(C[N@H+](C)C3CCCCC3)ccc2c1NC(=O)c1ccccc1 ZINC000011787269 556353907 /nfs/dbraw/zinc/35/39/07/556353907.db2.gz MLRZSESKGUZPIV-UHFFFAOYSA-N 1 0 437.565 5.100 50 0 IKAARO Cc1cccc(CNC(=O)[C@H]2CC23CC[NH+](Cc2cccc(Oc4ccccc4)c2)CC3)n1 ZINC000011790953 556355715 /nfs/dbraw/zinc/35/57/15/556355715.db2.gz COOSXOAXYUODNI-AREMUKBSSA-N 1 0 441.575 5.101 50 0 IKAARO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](CC[C@H](C)c2ccccc2)C3)c1OC ZINC000011815673 556358700 /nfs/dbraw/zinc/35/87/00/556358700.db2.gz JVUTYFVODYYMPZ-FQEVSTJZSA-N 1 0 447.575 5.768 50 0 IKAARO COc1ccc(OC)c(-c2nc(C[N@@H+]3CCC[C@@H](COc4cccc(F)c4)C3)c(C)o2)c1 ZINC000011817974 556360517 /nfs/dbraw/zinc/36/05/17/556360517.db2.gz JELHWQANQIKVNZ-GOSISDBHSA-N 1 0 440.515 5.097 50 0 IKAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc4cc(NC(C)=O)ccc4n3)C2)cc1 ZINC000011820824 556362328 /nfs/dbraw/zinc/36/23/28/556362328.db2.gz YHCQXDHKCFYIIV-FQEVSTJZSA-N 1 0 433.577 5.010 50 0 IKAARO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000011822113 556363331 /nfs/dbraw/zinc/36/33/31/556363331.db2.gz ZRODOPSSDNYMBX-SFHVURJKSA-N 1 0 439.943 5.414 50 0 IKAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+]([C@@H](C)CC(F)(F)F)CC1 ZINC000011843028 556366282 /nfs/dbraw/zinc/36/62/82/556366282.db2.gz MRQSPFWFUKNWMI-AWEZNQCLSA-N 1 0 425.413 5.234 50 0 IKAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+]([C@H](C)CC(F)(F)F)CC1 ZINC000011843029 556366378 /nfs/dbraw/zinc/36/63/78/556366378.db2.gz MRQSPFWFUKNWMI-CQSZACIVSA-N 1 0 425.413 5.234 50 0 IKAARO Cc1cc(C)cc(NC(=O)[C@H]2CC23CC[NH+](Cc2ccc(Oc4ncccn4)cc2)CC3)c1 ZINC000011871397 556368997 /nfs/dbraw/zinc/36/89/97/556368997.db2.gz LPIBFJPCLIHEHW-XMMPIXPASA-N 1 0 442.563 5.127 50 0 IKAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)cc1 ZINC000011873133 556369342 /nfs/dbraw/zinc/36/93/42/556369342.db2.gz MAYYLILRSYRNJK-FQEVSTJZSA-N 1 0 436.502 5.491 50 0 IKAARO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCCCCC3)no2)cc1 ZINC000011905304 556373994 /nfs/dbraw/zinc/37/39/94/556373994.db2.gz YLKPSNXYNWOSSH-DEOSSOPVSA-N 1 0 433.552 5.006 50 0 IKAARO COC(=O)c1sc2nc(C[NH+]3CCCCCC3)ccc2c1NC(=O)c1ccc(C)s1 ZINC000011908886 556374293 /nfs/dbraw/zinc/37/42/93/556374293.db2.gz PATYCQHSZNRWMX-UHFFFAOYSA-N 1 0 443.594 5.081 50 0 IKAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3ccccc3OC(F)F)C2)c(C)c1 ZINC000011944308 556379936 /nfs/dbraw/zinc/37/99/36/556379936.db2.gz RRLKYHCKDSUQNS-SFHVURJKSA-N 1 0 432.511 5.236 50 0 IKAARO CC(C)[NH2+]CC(=O)Nc1cc(Oc2ccc(Br)cc2)ccc1C(F)(F)F ZINC000014169799 556380820 /nfs/dbraw/zinc/38/08/20/556380820.db2.gz KXTBWWMDNASPTG-UHFFFAOYSA-N 1 0 431.252 5.197 50 0 IKAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1)c1ccccc1 ZINC000012029189 556388628 /nfs/dbraw/zinc/38/86/28/556388628.db2.gz NCERUOKATNUVPO-UHFFFAOYSA-N 1 0 444.579 5.294 50 0 IKAARO O=C(NCCCOc1ccc(C[N@H+]2CC=C(c3ccccc3)CC2)cc1)c1cccc(F)c1 ZINC000012034363 556389210 /nfs/dbraw/zinc/38/92/10/556389210.db2.gz WMWISZMJALTTHK-UHFFFAOYSA-N 1 0 444.550 5.314 50 0 IKAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000012058072 556394862 /nfs/dbraw/zinc/39/48/62/556394862.db2.gz JEGIRKCMMHFFGV-UHFFFAOYSA-N 1 0 446.482 5.005 50 0 IKAARO O=C(CCCc1ccccc1)Nc1ccnn1C1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000012073524 556396382 /nfs/dbraw/zinc/39/63/82/556396382.db2.gz WEUMXDIIBFODCP-AREMUKBSSA-N 1 0 442.607 5.039 50 0 IKAARO COCc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)o1 ZINC000012074445 556397170 /nfs/dbraw/zinc/39/71/70/556397170.db2.gz LUDIYAVJNKAVSD-UHFFFAOYSA-N 1 0 438.499 5.208 50 0 IKAARO O=C(c1cc2sccc2[nH]1)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000012429294 556404307 /nfs/dbraw/zinc/40/43/07/556404307.db2.gz PVQRHGCLQIEXOX-FQEVSTJZSA-N 1 0 436.625 5.312 50 0 IKAARO CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+]2CCCCC2)cc1 ZINC000032622639 556409996 /nfs/dbraw/zinc/40/99/96/556409996.db2.gz DUIAWLBGUKLNJV-OAQYLSRUSA-N 1 0 437.609 5.658 50 0 IKAARO CC1CC[NH+]([C@@H](CNC(=O)Cc2csc(-c3cccs3)n2)c2cccs2)CC1 ZINC000012973013 556419308 /nfs/dbraw/zinc/41/93/08/556419308.db2.gz LVAGBMCGEBKSKG-KRWDZBQOSA-N 1 0 431.652 5.065 50 0 IKAARO Cc1ccc(SCC[NH2+][C@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)cc1 ZINC000012993660 556429446 /nfs/dbraw/zinc/42/94/46/556429446.db2.gz FSGFEJMNPFCVAQ-CQSZACIVSA-N 1 0 427.620 5.464 50 0 IKAARO O=C(C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)N[C@@H](c1cccs1)c1ccccc1 ZINC000014670853 556431370 /nfs/dbraw/zinc/43/13/70/556431370.db2.gz OFAYBEXHISKISS-RPLLCQBOSA-N 1 0 426.585 5.527 50 0 IKAARO O=C(C[NH2+][C@H](Cc1ccccc1)c1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000013001339 556433286 /nfs/dbraw/zinc/43/32/86/556433286.db2.gz ADNYDWVGONNMLT-HXUWFJFHSA-N 1 0 433.766 6.159 50 0 IKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccnc1Sc1ccccc1Cl ZINC000013019414 556439371 /nfs/dbraw/zinc/43/93/71/556439371.db2.gz RQUGUHXFMRVQFN-UHFFFAOYSA-N 1 0 437.996 5.281 50 0 IKAARO Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027991529 556440082 /nfs/dbraw/zinc/44/00/82/556440082.db2.gz HCYHDSCFQFGOPO-IBGZPJMESA-N 1 0 431.001 6.112 50 0 IKAARO Cc1noc(C)c1CSc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000028077171 556443599 /nfs/dbraw/zinc/44/35/99/556443599.db2.gz GFQYINAUPZPDFE-UHFFFAOYSA-N 1 0 435.593 5.110 50 0 IKAARO Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028289690 556449214 /nfs/dbraw/zinc/44/92/14/556449214.db2.gz AXZPTBIHPWCFCN-NRFANRHFSA-N 1 0 426.988 6.033 50 0 IKAARO Cc1cc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)[NH+](C)C)cc(=O)c2cc1Cl ZINC000028289749 556449234 /nfs/dbraw/zinc/44/92/34/556449234.db2.gz RZTYPKYFQICHFG-HXUWFJFHSA-N 1 0 440.971 5.085 50 0 IKAARO CCc1ccc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCC3)cc(=O)c2c1 ZINC000028289484 556449255 /nfs/dbraw/zinc/44/92/55/556449255.db2.gz LPILQALLGDAWRN-HSZRJFAPSA-N 1 0 446.591 5.220 50 0 IKAARO Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCC3)oc2c1C ZINC000028290368 556449432 /nfs/dbraw/zinc/44/94/32/556449432.db2.gz CTIKNICYOVLSOE-HSZRJFAPSA-N 1 0 446.591 5.274 50 0 IKAARO CCSc1ncc(Cl)c(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+](CC)CC)n1 ZINC000028290879 556449766 /nfs/dbraw/zinc/44/97/66/556449766.db2.gz IZGPNVMWYXTPJX-IBGZPJMESA-N 1 0 449.064 5.352 50 0 IKAARO Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028292656 556450767 /nfs/dbraw/zinc/45/07/67/556450767.db2.gz BDDFEYMEIMOAJB-DEOSSOPVSA-N 1 0 446.591 5.490 50 0 IKAARO O[C@H](Cn1c2c(c3cccc(Cl)c31)CCCC2)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000028296810 556451785 /nfs/dbraw/zinc/45/17/85/556451785.db2.gz IJRNLARHLQRPMC-QFIPXVFZSA-N 1 0 443.075 6.502 50 0 IKAARO COc1cccc([C@@H](CNc2nc(C)nc3sc4c(c32)CCCCC4)[NH+]2CCCC2)c1 ZINC000013069908 556452903 /nfs/dbraw/zinc/45/29/03/556452903.db2.gz XAHDCDUYEXTVRO-OAQYLSRUSA-N 1 0 436.625 5.526 50 0 IKAARO C[N@H+](CCC12CC3CC(CC(C3)C1)C2)[C@@H]1CCC(=O)N(Cc2ccc(F)c(F)c2)CC1 ZINC000014879934 556453287 /nfs/dbraw/zinc/45/32/87/556453287.db2.gz BUJNNSLAQOJDTF-IJKYLVERSA-N 1 0 430.583 5.384 50 0 IKAARO CSc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)cc1 ZINC000014953961 556461534 /nfs/dbraw/zinc/46/15/34/556461534.db2.gz SBANDZQTIFVEEC-UHFFFAOYSA-N 1 0 441.000 5.348 50 0 IKAARO CC1(C)C[C@H](C[NH+]2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)CCO1 ZINC000014957236 556462757 /nfs/dbraw/zinc/46/27/57/556462757.db2.gz IRKKIDWBPJPBIJ-LJQANCHMSA-N 1 0 449.035 5.015 50 0 IKAARO COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3[NH+]=C(c3ccccc3)N2C2CC2)cc1 ZINC000013112499 556464924 /nfs/dbraw/zinc/46/49/24/556464924.db2.gz MNVDLDBUNHXHKM-SANMLTNESA-N 1 0 434.543 5.835 50 0 IKAARO O=C(NCc1cccs1)[C@H]1CC12CC[NH+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000014966701 556465859 /nfs/dbraw/zinc/46/58/59/556465859.db2.gz TUIRLYNSVDOOTI-RUZDIDTESA-N 1 0 428.601 5.238 50 0 IKAARO COc1cccc(-n2c(SC)nnc2C2CC[NH+](C/C(C)=C/c3ccccc3)CC2)c1 ZINC000014982649 556471758 /nfs/dbraw/zinc/47/17/58/556471758.db2.gz PFIKIBXTRJFUDP-KNTRCKAVSA-N 1 0 434.609 5.281 50 0 IKAARO COc1cc(-c2ccc(SC)cc2)cc2c1OCC[N@H+](Cc1cccc3cccnc31)C2 ZINC000014990494 556474658 /nfs/dbraw/zinc/47/46/58/556474658.db2.gz GGQKTMJTMBGNSS-UHFFFAOYSA-N 1 0 442.584 6.027 50 0 IKAARO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)s1 ZINC000014998581 556479010 /nfs/dbraw/zinc/47/90/10/556479010.db2.gz CSHUFAPXFNMMKU-JOCHJYFZSA-N 1 0 440.616 6.264 50 0 IKAARO COc1ccccc1-c1nc2ccc(C)cc2cc1C[NH2+]Cc1cccc(OC)c1OC ZINC000015005719 556481553 /nfs/dbraw/zinc/48/15/53/556481553.db2.gz FSQQUVPTLOSBJU-UHFFFAOYSA-N 1 0 428.532 5.526 50 0 IKAARO O=C(c1ccc(Cl)cc1OC1CC[NH+](CCCC(F)(F)F)CC1)N1CCCCC1 ZINC000015063008 556490990 /nfs/dbraw/zinc/49/09/90/556490990.db2.gz CERZFIBWVIHAJQ-UHFFFAOYSA-N 1 0 432.914 5.152 50 0 IKAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)c(C)c1 ZINC000015064118 556491834 /nfs/dbraw/zinc/49/18/34/556491834.db2.gz LOAANVXDJJHHIO-HXUWFJFHSA-N 1 0 432.568 5.025 50 0 IKAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)c(C)c1 ZINC000015064117 556491869 /nfs/dbraw/zinc/49/18/69/556491869.db2.gz LOAANVXDJJHHIO-FQEVSTJZSA-N 1 0 432.568 5.025 50 0 IKAARO COc1ccc(F)c(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000015064566 556492156 /nfs/dbraw/zinc/49/21/56/556492156.db2.gz WMBPBXQHCNXEAE-QFIPXVFZSA-N 1 0 425.592 5.276 50 0 IKAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(n3nccc3NC(=O)c3ccccc3Cl)CC1)=CC2 ZINC000015065083 556492411 /nfs/dbraw/zinc/49/24/11/556492411.db2.gz SRUSXIZLTQITHH-RXVVDRJESA-N 1 0 439.003 5.418 50 0 IKAARO Cc1ccsc1C[NH+]1CCC(Oc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1 ZINC000015067413 556493315 /nfs/dbraw/zinc/49/33/15/556493315.db2.gz JRURLTOSBPCRAF-UHFFFAOYSA-N 1 0 433.017 5.379 50 0 IKAARO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000015070485 556495466 /nfs/dbraw/zinc/49/54/66/556495466.db2.gz AFWCYYWXXRTLNY-SFHVURJKSA-N 1 0 428.960 5.182 50 0 IKAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)cc1 ZINC000015071330 556496180 /nfs/dbraw/zinc/49/61/80/556496180.db2.gz PAPPXRHZSSNDHO-HXUWFJFHSA-N 1 0 436.502 5.491 50 0 IKAARO CCc1ccc(C[NH+]2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)o1 ZINC000015073893 556497967 /nfs/dbraw/zinc/49/79/67/556497967.db2.gz AKOMYUYEVYFARE-UHFFFAOYSA-N 1 0 430.976 5.165 50 0 IKAARO CCc1ncc(C[NH+]2CCC(C(=O)Nc3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)cn1 ZINC000015077777 556499855 /nfs/dbraw/zinc/49/98/55/556499855.db2.gz LIUNMQWJODOENI-UHFFFAOYSA-N 1 0 439.563 5.038 50 0 IKAARO CCN(CC)C(=O)C1CC[NH+](Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1 ZINC000015079208 556500265 /nfs/dbraw/zinc/50/02/65/556500265.db2.gz WMVCOGCLCSHZFD-UHFFFAOYSA-N 1 0 444.623 5.237 50 0 IKAARO COc1ccc(CN2CCC([N@H+](C)Cc3ccccc3)CC2)cc1OCc1ccccc1 ZINC000004553786 556502930 /nfs/dbraw/zinc/50/29/30/556502930.db2.gz CQIVRYQFSZRDIP-UHFFFAOYSA-N 1 0 430.592 5.371 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000013584350 556528777 /nfs/dbraw/zinc/52/87/77/556528777.db2.gz USRCHPQBGWNFGB-HHHXNRCGSA-N 1 0 437.587 6.099 50 0 IKAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1cc(-c2ccc3c(c2)CCCC3)on1 ZINC000032622653 556542969 /nfs/dbraw/zinc/54/29/69/556542969.db2.gz ZJBOBFPCHJSZKB-VWLOTQADSA-N 1 0 429.564 5.177 50 0 IKAARO Cc1cc2occ(CC(=O)Nc3ccc(CC[NH+]4CCC(O)CC4)cc3)c2cc1C(C)C ZINC000072304692 556549167 /nfs/dbraw/zinc/54/91/67/556549167.db2.gz RDCMCHHKBPZQSW-UHFFFAOYSA-N 1 0 434.580 5.045 50 0 IKAARO CC(=O)c1ccc(NC(=O)CC[NH+]2CCC(c3nc(-c4ccccc4)c(C)o3)CC2)cc1 ZINC000072305227 556550590 /nfs/dbraw/zinc/55/05/90/556550590.db2.gz GTPKJTWTYBTUET-UHFFFAOYSA-N 1 0 431.536 5.061 50 0 IKAARO [NH3+][C@@H](Sc1nc(=O)n(-c2ccc(Cl)cc2)c2c1CCC2)c1cccc2ccccc21 ZINC000015840479 556556768 /nfs/dbraw/zinc/55/67/68/556556768.db2.gz WRONZAVJTBZZHL-QFIPXVFZSA-N 1 0 433.964 5.277 50 0 IKAARO CC1CC[NH+]([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2cccs2)CC1 ZINC000015859991 556558575 /nfs/dbraw/zinc/55/85/75/556558575.db2.gz IUFCJZDRHZTBAO-LJQANCHMSA-N 1 0 429.973 5.260 50 0 IKAARO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)[NH+]2CCC(C)CC2)o1 ZINC000015860529 556558791 /nfs/dbraw/zinc/55/87/91/556558791.db2.gz OKHSLLICTOTDDB-FQEVSTJZSA-N 1 0 427.932 5.099 50 0 IKAARO C(\c1ccccc1)=C1\CCCC2=C1O[C@]1([NH+]3CCCCC3)CCCC[C@@H]1[C@H]2c1ccccc1 ZINC000033632344 556566623 /nfs/dbraw/zinc/56/66/23/556566623.db2.gz XHZACPFETSQKJX-ICTYBPMDSA-N 1 0 439.643 7.694 50 0 IKAARO O=C(c1ccc(Cl)cc1)[C@@H]1C[N@H+](C2CCCCC2)CC[C@]1(O)c1ccc(Cl)cc1 ZINC000033850958 556568766 /nfs/dbraw/zinc/56/87/66/556568766.db2.gz CPVHOEXRGVOAQJ-UPVQGACJSA-N 1 0 432.391 5.719 50 0 IKAARO Fc1ccc(N2CC[NH+](CC[C@@H](Oc3ccc(F)c(F)c3)c3cccs3)CC2)cc1 ZINC000034726915 556581677 /nfs/dbraw/zinc/58/16/77/556581677.db2.gz LZOQCLJWISRXOH-JOCHJYFZSA-N 1 0 432.511 5.498 50 0 IKAARO COc1ccc([C@@H](CNC(=O)c2ncc(Cl)c(Cl)c2Cl)[NH+]2CCCCC2)cc1 ZINC000032969154 556587912 /nfs/dbraw/zinc/58/79/12/556587912.db2.gz XBMWLVYFCQZXNG-MRXNPFEDSA-N 1 0 442.774 5.007 50 0 IKAARO COc1cc(C[NH2+]C2CCCCC2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016195429 556589840 /nfs/dbraw/zinc/58/98/40/556589840.db2.gz RJDVDWIBODQYCR-UHFFFAOYSA-N 1 0 438.793 6.112 50 0 IKAARO Cc1cc(Cl)ccc1NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000016282627 556596677 /nfs/dbraw/zinc/59/66/77/556596677.db2.gz SNMIFANRKLUTRI-UHFFFAOYSA-N 1 0 432.995 6.355 50 0 IKAARO CC1CC[NH+]([C@H](CNC(=O)CCCc2nc3ccccc3s2)c2cccs2)CC1 ZINC000032983116 556601643 /nfs/dbraw/zinc/60/16/43/556601643.db2.gz MWBGADYMMMRAFQ-LJQANCHMSA-N 1 0 427.639 5.270 50 0 IKAARO O=C(Cc1cccc2ccccc21)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000016361186 556602259 /nfs/dbraw/zinc/60/22/59/556602259.db2.gz JFFCVFBODZPUKU-UHFFFAOYSA-N 1 0 435.571 5.343 50 0 IKAARO CCOc1cccc(-c2cc(C(=O)NC3CC[NH+](C)CC3)c3ccc(Cl)c(C)c3n2)c1 ZINC000016392135 556604616 /nfs/dbraw/zinc/60/46/16/556604616.db2.gz PUICTJZAFNYPTG-UHFFFAOYSA-N 1 0 437.971 5.086 50 0 IKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cc(Cl)ccc1Cl ZINC000016479878 556611404 /nfs/dbraw/zinc/61/14/04/556611404.db2.gz QBZVEMNLZGNARS-UHFFFAOYSA-N 1 0 440.374 5.568 50 0 IKAARO Brc1ccc(OCc2ccccc2)c(C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000016480567 556611411 /nfs/dbraw/zinc/61/14/11/556611411.db2.gz WHTOTGXOSBOZGX-UHFFFAOYSA-N 1 0 426.310 5.047 50 0 IKAARO C[C@H]([NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000016576198 556616121 /nfs/dbraw/zinc/61/61/21/556616121.db2.gz DSIQBGKJECUQGB-MPVQEXEOSA-N 1 0 444.446 7.267 50 0 IKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@@H](C(=O)NC2CCCCCC2)C1 ZINC000005044147 556627008 /nfs/dbraw/zinc/62/70/08/556627008.db2.gz YWGHDLAHDZQWFG-LJQANCHMSA-N 1 0 429.992 5.354 50 0 IKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@@H](C(=O)NC2CCC(C)CC2)C1 ZINC000005044190 556627131 /nfs/dbraw/zinc/62/71/31/556627131.db2.gz DIILNPYLFHOKIC-IPFXWSOASA-N 1 0 429.992 5.210 50 0 IKAARO COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000005091950 556633591 /nfs/dbraw/zinc/63/35/91/556633591.db2.gz WOSIRNLEJAAQTM-NRFANRHFSA-N 1 0 425.960 5.093 50 0 IKAARO Cc1ccc([C@@H]2C[N@@H+](Cc3cccs3)C[C@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000248061992 556660124 /nfs/dbraw/zinc/66/01/24/556660124.db2.gz DONBNZOENJWJPE-AHWVRZQESA-N 1 0 432.633 5.823 50 0 IKAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c(OC)c1OC ZINC000043136052 556661055 /nfs/dbraw/zinc/66/10/55/556661055.db2.gz ZSMYPPSJGIUZBJ-QGZVFWFLSA-N 1 0 441.959 5.136 50 0 IKAARO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+]([C@@H]1CCc3ccccc3C1)CC2 ZINC000043159166 556661253 /nfs/dbraw/zinc/66/12/53/556661253.db2.gz GCHICBJQVBZXBS-YIXXDRMTSA-N 1 0 433.979 5.862 50 0 IKAARO C[C@H]([NH3+])[C@H](c1ccccc1)P1Cc2ccc3ccccc3c2-c2c(ccc3ccccc32)C1 ZINC000043763979 556665314 /nfs/dbraw/zinc/66/53/14/556665314.db2.gz BHRXRWRXVSJNML-JCOAXYOVSA-N 1 0 445.546 8.244 50 0 IKAARO CC[NH+](CC)CC[C@]1(c2ccccc2)c2ccccc2N(N(C)Cc2ccc(F)cc2)C1=O ZINC000044124943 556666059 /nfs/dbraw/zinc/66/60/59/556666059.db2.gz MMDSDBWZDRJFML-NDEPHWFRSA-N 1 0 445.582 5.237 50 0 IKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000248124896 556668155 /nfs/dbraw/zinc/66/81/55/556668155.db2.gz ZWCOCJLHTMXBGQ-AHKZPQOWSA-N 1 0 444.594 5.901 50 0 IKAARO COc1cccc([C@@H]2C[N@H+](Cc3cccs3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000248182762 556675733 /nfs/dbraw/zinc/67/57/33/556675733.db2.gz FTEMDHPRYDJKCC-URXFXBBRSA-N 1 0 428.642 5.113 50 0 IKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C2)o1 ZINC000248231967 556676574 /nfs/dbraw/zinc/67/65/74/556676574.db2.gz LAYZZVWVEAYMPA-XCZPVHLTSA-N 1 0 444.619 5.910 50 0 IKAARO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@H]2CCCC[C@@H]12 ZINC000248264818 556677711 /nfs/dbraw/zinc/67/77/11/556677711.db2.gz XLGCRVRNEPZDCK-WYZBVHOTSA-N 1 0 445.007 5.074 50 0 IKAARO CCCCn1c(C)c2c(c1C)C=CC(=Cc1ccc3c(C)[n+](CCCC)c(C)c-3cc1)C=C2 ZINC000145628639 556681848 /nfs/dbraw/zinc/68/18/48/556681848.db2.gz OGSOFWHCLCEUAJ-UHFFFAOYSA-N 1 0 439.667 7.838 50 0 IKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025211 556699387 /nfs/dbraw/zinc/69/93/87/556699387.db2.gz IPODMYQPTIZTQE-LJQANCHMSA-N 1 0 447.558 5.021 50 0 IKAARO COc1cc2nc(-c3ccccc3)c(C[NH2+][C@H](C)c3cccs3)cc2c(OC)c1OC ZINC000055042455 556732764 /nfs/dbraw/zinc/73/27/64/556732764.db2.gz JDUDVIVGEBKZFF-MRXNPFEDSA-N 1 0 434.561 5.840 50 0 IKAARO CC(C)c1ccc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000055529238 556741812 /nfs/dbraw/zinc/74/18/12/556741812.db2.gz RRIOLUDNDNWXTM-UHFFFAOYSA-N 1 0 443.591 5.150 50 0 IKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4cc(OC)ccc4OC)CC3)ccc21 ZINC000019369772 556747302 /nfs/dbraw/zinc/74/73/02/556747302.db2.gz OOZDSRWBUABRDG-UHFFFAOYSA-N 1 0 443.591 5.149 50 0 IKAARO Clc1ccc2c(c1)[C@@H](N1CC[NH+](CCCc3ccccc3)CC1)Cc1ccccc1S2 ZINC000019370901 556748351 /nfs/dbraw/zinc/74/83/51/556748351.db2.gz MEDWDHFXMSTIMQ-VWLOTQADSA-N 1 0 449.063 6.339 50 0 IKAARO c1ccc(-c2c3ccccn3c([C@H](c3ccccn3)[NH+]3CCCCC3)c2-c2ccccc2)cc1 ZINC000002546170 556761424 /nfs/dbraw/zinc/76/14/24/556761424.db2.gz RVLYMVUGLVHRFS-PMERELPUSA-N 1 0 443.594 7.244 50 0 IKAARO c1ccc(-c2c3ccccn3c([C@@H](c3ccccn3)[NH+]3CCCCC3)c2-c2ccccc2)cc1 ZINC000002546164 556761577 /nfs/dbraw/zinc/76/15/77/556761577.db2.gz RVLYMVUGLVHRFS-SSEXGKCCSA-N 1 0 443.594 7.244 50 0 IKAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@@H]32)CC1 ZINC000061992799 556766946 /nfs/dbraw/zinc/76/69/46/556766946.db2.gz SDFFXZBPKQGUHN-LXRCUPKFSA-N 1 0 441.015 5.005 50 0 biogenic IKAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)CC1 ZINC000061992842 556767161 /nfs/dbraw/zinc/76/71/61/556767161.db2.gz RSUMDFBTCAAZNY-ZVCRQVTJSA-N 1 0 443.031 5.085 50 0 biogenic IKAARO CCCN(CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058268053 556776975 /nfs/dbraw/zinc/77/69/75/556776975.db2.gz TVXJLUHLHGEDOK-FQEVSTJZSA-N 1 0 433.518 5.021 50 0 IKAARO COc1ccccc1[C@]1(CC[NH2+]Cc2ccc(OC(C)C)cc2)CCO[C@H](C(C)C)C1 ZINC000005399504 556797590 /nfs/dbraw/zinc/79/75/90/556797590.db2.gz IQUJHWGJJULTIB-RRPNLBNLSA-N 1 0 425.613 5.735 50 0 IKAARO Cc1ccccc1-c1ncc(C[NH2+][C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)cn1 ZINC000059367291 556798851 /nfs/dbraw/zinc/79/88/51/556798851.db2.gz IPMRXXGDSYIMFI-QHCPKHFHSA-N 1 0 431.490 5.083 50 0 IKAARO Cc1ccccc1-c1ncc(C[NH2+][C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)cn1 ZINC000059367290 556798895 /nfs/dbraw/zinc/79/88/95/556798895.db2.gz IPMRXXGDSYIMFI-HSZRJFAPSA-N 1 0 431.490 5.083 50 0 IKAARO O=c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000005552694 556823363 /nfs/dbraw/zinc/82/33/63/556823363.db2.gz VIGXWSFLXWHHSI-UHFFFAOYSA-N 1 0 425.528 5.620 50 0 IKAARO COc1ccc(CC[N@H+](C)[C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)cc1OC ZINC000034362914 556823382 /nfs/dbraw/zinc/82/33/82/556823382.db2.gz UAICRBQQFGDXAR-OAQYLSRUSA-N 1 0 440.008 6.280 50 0 IKAARO COc1cccc(C[C@@H](C)[NH+]2CCC(n3nccc3NC(=O)Nc3ccccc3C)CC2)c1 ZINC000019607928 556831416 /nfs/dbraw/zinc/83/14/16/556831416.db2.gz BWYVJHGRJVTHSD-HXUWFJFHSA-N 1 0 447.583 5.112 50 0 IKAARO C[C@H]1CCc2sc3ncnc(N4CC[NH+](Cc5cccc6ccccc65)CC4)c3c2C1 ZINC000019682057 556841868 /nfs/dbraw/zinc/84/18/68/556841868.db2.gz SGRGRILEIUCSQH-SFHVURJKSA-N 1 0 428.605 5.292 50 0 IKAARO Cc1cc(C)nc(CC[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)n1 ZINC000067851377 556847406 /nfs/dbraw/zinc/84/74/06/556847406.db2.gz PWUZKGWKHLAHMP-UHFFFAOYSA-N 1 0 435.934 5.071 50 0 IKAARO Cc1ccc2[nH]c3c(ncnc3N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000019707392 556866885 /nfs/dbraw/zinc/86/68/85/556866885.db2.gz ARGIXZNUJRDJCP-UHFFFAOYSA-N 1 0 433.559 5.331 50 0 IKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc21 ZINC000004675850 556872449 /nfs/dbraw/zinc/87/24/49/556872449.db2.gz KHSSZKQIUQCZAX-HSZRJFAPSA-N 1 0 429.608 5.903 50 0 IKAARO Cc1ccc(-c2n[nH]cc2CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000019722281 556876461 /nfs/dbraw/zinc/87/64/61/556876461.db2.gz RSLRDDDKXGZIEP-UHFFFAOYSA-N 1 0 436.603 5.601 50 0 IKAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004680530 556878537 /nfs/dbraw/zinc/87/85/37/556878537.db2.gz QVLORXORUCAJPX-UHFFFAOYSA-N 1 0 428.576 5.136 50 0 IKAARO Cn1cc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000019740178 556879807 /nfs/dbraw/zinc/87/98/07/556879807.db2.gz XEVIGLROUZFLSU-QHCPKHFHSA-N 1 0 429.543 5.215 50 0 IKAARO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2Nc2ccnc3c2cccc3C(F)(F)F)C1 ZINC000071770916 556888096 /nfs/dbraw/zinc/88/80/96/556888096.db2.gz UHAUAYGYPVRSST-MRXNPFEDSA-N 1 0 442.485 5.211 50 0 IKAARO Cc1ccc(-c2cc(Nc3cccc(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)c3)ncn2)cc1 ZINC000033261041 556898470 /nfs/dbraw/zinc/89/84/70/556898470.db2.gz NJVGPMZKAKFLOA-NRFANRHFSA-N 1 0 443.595 5.190 50 0 IKAARO Cc1ccc(-c2cc(Nc3ccc(C(=O)NCCC[NH+]4CCC(C)CC4)cc3)ncn2)cc1 ZINC000033261270 556898835 /nfs/dbraw/zinc/89/88/35/556898835.db2.gz UPFPZXJXXVXYJC-UHFFFAOYSA-N 1 0 443.595 5.047 50 0 IKAARO Cc1ccc(C(C)C)c(OCc2nc3c4c5c(sc4ncn3n2)C(C)(C)[NH2+]C(C)(C)C5)c1 ZINC000019771407 556913047 /nfs/dbraw/zinc/91/30/47/556913047.db2.gz CVAUXJOEXCJDTN-UHFFFAOYSA-N 1 0 449.624 5.509 50 0 IKAARO Fc1ccc(-n2cc(C[N@@H+]3CCC[C@H](c4n[nH]cc4-c4c(F)cccc4F)C3)cn2)cc1 ZINC000019794968 556915916 /nfs/dbraw/zinc/91/59/16/556915916.db2.gz CLJRWMKVSMLGHD-KRWDZBQOSA-N 1 0 437.469 5.059 50 0 IKAARO CCOc1ccccc1O[C@H](CCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000019802166 556917869 /nfs/dbraw/zinc/91/78/69/556917869.db2.gz SJZMMVNKRFNDPW-AREMUKBSSA-N 1 0 430.592 5.413 50 0 IKAARO CCOc1ccccc1C[N@H+](CCc1ccc2c(c1)OCO2)Cc1cc(OC)ccc1OC ZINC000019841347 556929834 /nfs/dbraw/zinc/92/98/34/556929834.db2.gz KUMJMHXPCWQTMQ-UHFFFAOYSA-N 1 0 449.547 5.076 50 0 biogenic IKAARO Cc1cccc(-c2csc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)c1 ZINC000019873233 556935787 /nfs/dbraw/zinc/93/57/87/556935787.db2.gz VGBYLNJNMUJJPS-UHFFFAOYSA-N 1 0 425.601 6.030 50 0 IKAARO CCOc1ccc(CN2CC[NH+](Cc3ccc4c(c3)c3ccccc3n4CC)CC2)cc1 ZINC000019889520 556938898 /nfs/dbraw/zinc/93/88/98/556938898.db2.gz FBDGIRXGQZFEOV-UHFFFAOYSA-N 1 0 427.592 5.531 50 0 IKAARO CCC(C)(C)c1ccc(OCCC[NH+]2CCN(c3ccccn3)CC2)c(C(C)(C)CC)c1 ZINC000004729691 556976942 /nfs/dbraw/zinc/97/69/42/556976942.db2.gz HFAPDCQUHWZTNA-UHFFFAOYSA-N 1 0 437.672 6.048 50 0 IKAARO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2cccc(Br)c2)ccc1SC(F)F ZINC000097048940 556979796 /nfs/dbraw/zinc/97/97/96/556979796.db2.gz WOBDURBQHVXAAN-LLVKDONJSA-N 1 0 445.329 5.062 50 0 IKAARO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033268805 556986055 /nfs/dbraw/zinc/98/60/55/556986055.db2.gz HXPYMWDJVDFVPG-UHFFFAOYSA-N 1 0 427.932 5.238 50 0 IKAARO COc1ccccc1OCCCC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020118556 556987034 /nfs/dbraw/zinc/98/70/34/556987034.db2.gz LIVWJOWBAOASLL-UHFFFAOYSA-N 1 0 430.592 5.261 50 0 IKAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc4c(cccc4NC(C)=O)n3)C2)cc1 ZINC000020166720 556994096 /nfs/dbraw/zinc/99/40/96/556994096.db2.gz BAOHHHPXTCOJRR-IBGZPJMESA-N 1 0 433.577 5.010 50 0 IKAARO O=C(c1nc2sccn2c1C[N@@H+]1CCC[C@H](c2ccccc2)C1)N1CCCCCCC1 ZINC000020210240 556998773 /nfs/dbraw/zinc/99/87/73/556998773.db2.gz GGMBDMXTFTXZHT-NRFANRHFSA-N 1 0 436.625 5.182 50 0 IKAARO COc1cc(Cl)c(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1OC ZINC000020351161 557009100 /nfs/dbraw/zinc/00/91/00/557009100.db2.gz ATTHSMBIXSOKOI-AWEZNQCLSA-N 1 0 447.913 5.405 50 0 IKAARO FC(F)(F)Oc1ccc([C@H]2c3ccsc3CC[N@H+]2Cc2c[nH]c3ccccc23)cc1 ZINC000020432014 557016156 /nfs/dbraw/zinc/01/61/56/557016156.db2.gz ZQULYNPKHXTJFS-QFIPXVFZSA-N 1 0 428.479 6.276 50 0 IKAARO CC(C)C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032266 557024775 /nfs/dbraw/zinc/02/47/75/557024775.db2.gz PBRHNEVZVVVADZ-UHFFFAOYSA-N 1 0 445.032 5.510 50 0 IKAARO COc1cc([C@H](C)[NH2+]CC(=O)Nc2cccc(Br)c2)ccc1SC(F)F ZINC000097048939 557046140 /nfs/dbraw/zinc/04/61/40/557046140.db2.gz WOBDURBQHVXAAN-NSHDSACASA-N 1 0 445.329 5.062 50 0 IKAARO C(=C/c1ccccc1)\CN1CC[NH+]([C@@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000022930075 557049852 /nfs/dbraw/zinc/04/98/52/557049852.db2.gz QKHFYDWHKIPGFA-KVWOZJIWSA-N 1 0 444.622 6.774 50 0 IKAARO C[N@H+](Cc1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1)C1CCCCC1 ZINC000048287207 557052944 /nfs/dbraw/zinc/05/29/44/557052944.db2.gz PAMXQSVQUZGMTD-UHFFFAOYSA-N 1 0 439.625 5.004 50 0 IKAARO FC(F)(F)c1cccc(N2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)c1 ZINC000023281494 557081786 /nfs/dbraw/zinc/08/17/86/557081786.db2.gz NAVCHBXWTXWUDQ-UHFFFAOYSA-N 1 0 426.482 5.607 50 0 IKAARO CN(C)c1cccc(N(C)C)c1-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1 ZINC000086012855 557105809 /nfs/dbraw/zinc/10/58/09/557105809.db2.gz DRNAQRXLOSUHBQ-UHFFFAOYSA-N 1 0 436.624 7.258 50 0 IKAARO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000049535952 557110206 /nfs/dbraw/zinc/11/02/06/557110206.db2.gz XXLLOUUHZDZJRQ-UHFFFAOYSA-N 1 0 437.587 5.218 50 0 IKAARO CCCc1nc(-c2cc3cccc(C)c3nc2NCC[N@@H+]2CCc3ccccc3C2)no1 ZINC000033331586 557115306 /nfs/dbraw/zinc/11/53/06/557115306.db2.gz MUPRJQZPZQUDBV-UHFFFAOYSA-N 1 0 427.552 5.016 50 0 IKAARO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000008671975 557120887 /nfs/dbraw/zinc/12/08/87/557120887.db2.gz YHXAHURDOPRQCT-UHFFFAOYSA-N 1 0 430.335 5.258 50 0 IKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000003142951 557138752 /nfs/dbraw/zinc/13/87/52/557138752.db2.gz UJDINNKEDFGRQP-SFHVURJKSA-N 1 0 441.641 5.120 50 0 IKAARO C[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1cccs1 ZINC000024751730 557162629 /nfs/dbraw/zinc/16/26/29/557162629.db2.gz ZPMRYJQTAZCQIX-AWEZNQCLSA-N 1 0 447.482 5.309 50 0 IKAARO Clc1ccc2c(c1)nc(CN1CC[NH+](Cc3ccccc3)CC1)n2Cc1ccccc1 ZINC000096318740 557199191 /nfs/dbraw/zinc/19/91/91/557199191.db2.gz KFXJUXZODJEYPU-UHFFFAOYSA-N 1 0 430.983 5.056 50 0 IKAARO CC[NH+](CC)CCN(C(=O)c1ccc2ccccc2c1)c1nc2ccc(Cl)cc2s1 ZINC000011612418 557208663 /nfs/dbraw/zinc/20/86/63/557208663.db2.gz URCVIPMEDYVSMF-UHFFFAOYSA-N 1 0 437.996 6.092 50 0 IKAARO C[C@]1(CCc2ccccc2)[NH2+]C[C@@H](c2ccc(Cl)cc2Cl)c2c3ccccc3[nH]c21 ZINC000025480332 557211772 /nfs/dbraw/zinc/21/17/72/557211772.db2.gz BHMUOSZNNXHPOJ-HFZDXXHNSA-N 1 0 435.398 7.058 50 0 IKAARO CCCCCc1ccc(C(=O)Nc2ccc3[nH]cc(CC[N@H+](C)C4CCCCC4)c3c2)cc1 ZINC000023317521 557216399 /nfs/dbraw/zinc/21/63/99/557216399.db2.gz NBCYTPJCAKZOJA-UHFFFAOYSA-N 1 0 445.651 6.960 50 0 IKAARO CC(C)(C)c1ccc([C@@H]2[NH2+]C[C@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025719539 557223288 /nfs/dbraw/zinc/22/32/88/557223288.db2.gz JZQOEUZYAMGYPE-BWKNWUBXSA-N 1 0 449.425 7.597 50 0 IKAARO CC1CC[NH+](Cc2nc3cc(NC(=O)COc4ccc(C(C)(C)C)cc4)ccc3n2C)CC1 ZINC000026121046 557235166 /nfs/dbraw/zinc/23/51/66/557235166.db2.gz QABWUEDGPRMPTF-UHFFFAOYSA-N 1 0 448.611 5.120 50 0 IKAARO CC[NH+](CC)CCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023322134 557253919 /nfs/dbraw/zinc/25/39/19/557253919.db2.gz GYWIKBAYCOIFOB-UHFFFAOYSA-N 1 0 431.367 5.122 50 0 IKAARO CC[NH+](CC)CCNc1nc(SC)nc2c3c4c(c(C(C)C)nc3sc21)CCC4 ZINC000005695201 557255674 /nfs/dbraw/zinc/25/56/74/557255674.db2.gz QVJOBXGBDOZIBZ-UHFFFAOYSA-N 1 0 429.659 5.327 50 0 IKAARO COc1cc(OC)cc(C(=O)Nc2ccc3[nH]cc(CC[N@H+](C)C4CCCCC4)c3c2)c1 ZINC000023322233 557256540 /nfs/dbraw/zinc/25/65/40/557256540.db2.gz JNMXBNUPLBSHAB-UHFFFAOYSA-N 1 0 435.568 5.244 50 0 IKAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000027332751 557260015 /nfs/dbraw/zinc/26/00/15/557260015.db2.gz ZAKODSQMXMIBJZ-JOCHJYFZSA-N 1 0 446.576 5.015 50 0 IKAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027608318 557267514 /nfs/dbraw/zinc/26/75/14/557267514.db2.gz GJQQXCKMBPIGCS-INIZCTEOSA-N 1 0 433.936 5.071 50 0 IKAARO CCCCc1ccc(-c2ccc(-n3cncc3C(=O)NCC(C)(C)C[NH+](C)C)cc2)cc1 ZINC000023322493 557269388 /nfs/dbraw/zinc/26/93/88/557269388.db2.gz ZUVCPGJVOWVXRS-UHFFFAOYSA-N 1 0 432.612 5.200 50 0 IKAARO COc1ccc([C@@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)[NH+]2CCCCCC2)cc1 ZINC000027664220 557270284 /nfs/dbraw/zinc/27/02/84/557270284.db2.gz ZJYJHEPIQHFFOD-JOCHJYFZSA-N 1 0 440.971 5.750 50 0 IKAARO COc1ccc(-c2c[n+](-c3ccc(SC(F)F)cc3)c3n2CCCCC3)cc1OC ZINC000027788621 557273864 /nfs/dbraw/zinc/27/38/64/557273864.db2.gz ZENFBXICKWTHAK-UHFFFAOYSA-N 1 0 431.528 5.490 50 0 IKAARO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027794572 557274705 /nfs/dbraw/zinc/27/47/05/557274705.db2.gz CHXMTCUGXCNCSD-QGZVFWFLSA-N 1 0 447.398 5.522 50 0 IKAARO CCCCC[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC ZINC000101343531 557279440 /nfs/dbraw/zinc/27/94/40/557279440.db2.gz INXGAHHQCIHNOR-IICWPQHPSA-N 1 0 443.631 6.897 50 0 IKAARO C[C@H]1CC[C@]2(C)[C@@H]3C[C@@H]4[C@H](CC[C@@H]5[C@@H]4C[N@@H+]4C[C@@H](C)CC[C@@H]4[C@@]5(C)O)[C@H]3CC(=O)[C@H]2C1 ZINC000101084934 557282768 /nfs/dbraw/zinc/28/27/68/557282768.db2.gz YSOKTNCRCPDOCA-IKBKPTEGSA-N 1 0 427.673 5.162 50 0 IKAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000013116954 557296390 /nfs/dbraw/zinc/29/63/90/557296390.db2.gz AWYFKUGPMHUVPQ-HSZRJFAPSA-N 1 0 437.465 5.699 50 0 IKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023326764 557312654 /nfs/dbraw/zinc/31/26/54/557312654.db2.gz VUQDAFPKBLTZGE-FQEVSTJZSA-N 1 0 436.621 6.448 50 0 IKAARO C[C@H]([NH2+]CC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1cccc2ccccc21 ZINC000014185779 557314628 /nfs/dbraw/zinc/31/46/28/557314628.db2.gz UXLOQKRHQLCPRE-SFHVURJKSA-N 1 0 429.589 5.506 50 0 IKAARO Cc1ccc(C[N@H+](Cc2cc(=O)n3c(-c4ccc(F)cc4)csc3n2)CC(C)C)cc1 ZINC000033268827 557328602 /nfs/dbraw/zinc/32/86/02/557328602.db2.gz KABLVIRYYXRAMC-UHFFFAOYSA-N 1 0 435.568 5.529 50 0 IKAARO Cc1ccc(-c2cc(Nc3cccc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)c3)ncn2)cc1 ZINC000033261040 557329750 /nfs/dbraw/zinc/32/97/50/557329750.db2.gz NJVGPMZKAKFLOA-OAQYLSRUSA-N 1 0 443.595 5.190 50 0 IKAARO CCC[NH+]1CCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)[nH]n3)cc2)CC1 ZINC000023332563 557345657 /nfs/dbraw/zinc/34/56/57/557345657.db2.gz BTQPAQDDXJJAJX-UHFFFAOYSA-N 1 0 443.378 5.218 50 0 IKAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]C2CCCCCC2)CN1CC(c1ccccc1)c1ccccc1 ZINC000023339000 557350202 /nfs/dbraw/zinc/35/02/02/557350202.db2.gz IACJQYLIQDQLBB-IAPPQJPRSA-N 1 0 447.667 5.098 50 0 IKAARO CCC[N@@H+](Cc1csc(-c2cccc(-c3cccc(OC(F)(F)F)c3)c2)n1)CC1CC1 ZINC000023436871 557354275 /nfs/dbraw/zinc/35/42/75/557354275.db2.gz CRHYIJAHVLKYNJ-UHFFFAOYSA-N 1 0 446.538 6.998 50 0 IKAARO C[C@@H]1CCC[N@H+](Cc2csc(-c3cccc(-c4cccc(OC(F)(F)F)c4)c3)n2)C1 ZINC000023430702 557355156 /nfs/dbraw/zinc/35/51/56/557355156.db2.gz PWBHRVRXSNEEDE-MRXNPFEDSA-N 1 0 432.511 6.608 50 0 IKAARO Cc1cc2nc(-c3cccs3)cc(C(=O)NC3CC(C)(C)[NH+](C)C(C)(C)C3)c2cc1C ZINC000023438581 557357429 /nfs/dbraw/zinc/35/74/29/557357429.db2.gz PXROGLHGGFDJOY-UHFFFAOYSA-N 1 0 435.637 5.961 50 0 IKAARO CC(C)[C@H]1CC(CC[NH2+]Cc2ccc(Cl)cc2)(c2ccc(F)cc2)C[C@H](C(C)C)O1 ZINC000524734586 557370787 /nfs/dbraw/zinc/37/07/87/557370787.db2.gz SKECJCACEUTHME-JWQCQUIFSA-N 1 0 432.023 6.756 50 0 IKAARO CC(C)n1cc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c2ccccc21 ZINC000257198744 557395358 /nfs/dbraw/zinc/39/53/58/557395358.db2.gz HRHOVZHGSNEKQV-WBUNXLNBSA-N 1 0 431.624 5.186 50 0 biogenic IKAARO O=S(=O)(c1ccc(Cl)cc1)N(c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000034241424 557406058 /nfs/dbraw/zinc/40/60/58/557406058.db2.gz BLUXGHKLHZGDOF-UHFFFAOYSA-N 1 0 440.996 5.200 50 0 IKAARO CC[NH+]1CCN(Cc2c(-c3ccccc3)nc3ccc(-c4ccccc4Cl)cn32)CC1 ZINC000103495097 557437867 /nfs/dbraw/zinc/43/78/67/557437867.db2.gz RUHQFYSAHLCYPJ-UHFFFAOYSA-N 1 0 430.983 5.459 50 0 IKAARO COc1cccc([C@H]2C[N@H+](Cc3cccc(C)c3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000105018706 557473050 /nfs/dbraw/zinc/47/30/50/557473050.db2.gz JSCJBEFSQAEKEV-XNMGPUDCSA-N 1 0 436.640 5.360 50 0 IKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(C(=O)c3ccccc3)C(C)C)[C@H](c3ccccc3C)C2)o1 ZINC000105042037 557473619 /nfs/dbraw/zinc/47/36/19/557473619.db2.gz ZCEGTUVNOFCGKF-RPLLCQBOSA-N 1 0 430.592 5.663 50 0 IKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000105049968 557473836 /nfs/dbraw/zinc/47/38/36/557473836.db2.gz AWVONRIQQGFJOA-VWNXMTODSA-N 1 0 428.642 5.113 50 0 IKAARO COc1ccccc1[C@H]1C[N@H+](Cc2cc(C)c(C)o2)C[C@@H]1CN(CC(C)C)C(=O)C(C)C ZINC000105049948 557473966 /nfs/dbraw/zinc/47/39/66/557473966.db2.gz VUAJCQXHVVSRPJ-RDGATRHJSA-N 1 0 440.628 5.261 50 0 IKAARO Cc1cc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c3cccc(F)c3)C2)oc1C ZINC000105050486 557474288 /nfs/dbraw/zinc/47/42/88/557474288.db2.gz CPBCGTTWUREHCM-WIOPSUGQSA-N 1 0 428.592 5.392 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000051329988 557497407 /nfs/dbraw/zinc/49/74/07/557497407.db2.gz LGKRFJCIXFSLEJ-SANMLTNESA-N 1 0 425.576 5.894 50 0 IKAARO COc1ccc2ncc3c(sc(C(=O)NCCC[NH+]4CCCC4)c3-c3ccccc3)c2c1 ZINC000045944039 557552827 /nfs/dbraw/zinc/55/28/27/557552827.db2.gz DCTOKCOQVRRZQY-UHFFFAOYSA-N 1 0 445.588 5.341 50 0 IKAARO CCCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000225542203 557739300 /nfs/dbraw/zinc/73/93/00/557739300.db2.gz JTRDSYHNKMTTBH-UHFFFAOYSA-N 1 0 438.678 5.141 50 0 IKAARO Cn1c(CSc2nc3ccccc3s2)nn(CN2CCC[C@H]3CCCC[C@H]32)c1=S ZINC000229999417 557834982 /nfs/dbraw/zinc/83/49/82/557834982.db2.gz AWGRFAHOYQYNSJ-NVXWUHKLSA-N 1 0 445.683 5.465 50 0 IKAARO Cc1c2ccc(C=CC=C3N(C)c4ccccc4C3(C)C)ccc-2c(C)[n+]1-c1ccccc1 ZINC000685944248 557839037 /nfs/dbraw/zinc/83/90/37/557839037.db2.gz GMQPDZWSJOKRAR-UHFFFAOYSA-N 1 0 431.603 7.323 50 0 IKAARO CC(C)(C)c1cc(/C=C/C=C2/C=C(C(C)(C)C)c3ccccc3S2)[s+]c2ccccc21 ZINC000685944784 557839310 /nfs/dbraw/zinc/83/93/10/557839310.db2.gz XGKYXDQUOGNKKA-UHFFFAOYSA-N 1 0 443.701 9.612 50 0 IKAARO CC(C)CC[C@@](O)(c1ccc(Br)cc1)[C@H](C[NH2+]CCCCO)c1ccccc1 ZINC000002907791 562930417 /nfs/dbraw/zinc/93/04/17/562930417.db2.gz VTQWHGAEPRCKIC-DNQXCXABSA-N 1 0 448.445 5.219 50 0 IKAARO CCc1ccc(Sc2cc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)c3ccccc3n2)cc1 ZINC000002941380 562930982 /nfs/dbraw/zinc/93/09/82/562930982.db2.gz RLOSYNULPLNJGI-FQEVSTJZSA-N 1 0 447.648 5.800 50 0 IKAARO CN(C)c1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000003182172 562932664 /nfs/dbraw/zinc/93/26/64/562932664.db2.gz XHPUYICJDOILJN-UHFFFAOYSA-N 1 0 427.571 7.030 50 0 IKAARO C[NH+](C)CCCNC(=S)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC000003414979 562935411 /nfs/dbraw/zinc/93/54/11/562935411.db2.gz RYOMGTNXPFHHBB-GOSISDBHSA-N 1 0 449.451 5.022 50 0 IKAARO C[NH+](C)CC(C)(C)CN[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000003434595 562935797 /nfs/dbraw/zinc/93/57/97/562935797.db2.gz XMOHMCJLCJJPRG-LJQANCHMSA-N 1 0 441.925 5.216 50 0 IKAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)sc1nc(-c3ccccc3)cn21 ZINC000008588792 562950905 /nfs/dbraw/zinc/95/09/05/562950905.db2.gz VFJNYEYFFUHERF-UHFFFAOYSA-N 1 0 432.593 5.212 50 0 IKAARO CC(C)C[NH+](CCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21)CC(C)C ZINC000008591680 562952067 /nfs/dbraw/zinc/95/20/67/562952067.db2.gz FXPIKEYBJJRBNL-UHFFFAOYSA-N 1 0 444.044 5.961 50 0 IKAARO Cc1cc(C)cc(Nc2cc(C(=O)NCCC[N@@H+](C)C3CCCCC3)c3ccccc3n2)c1 ZINC000008595426 562953497 /nfs/dbraw/zinc/95/34/97/562953497.db2.gz OGTANSUXLIDPDX-UHFFFAOYSA-N 1 0 444.623 5.980 50 0 IKAARO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCCc4ccc(C)cc4)CC3)c(C)o2)cc1 ZINC000008597594 562954047 /nfs/dbraw/zinc/95/40/47/562954047.db2.gz ZEOJQGAKNBFXBS-UHFFFAOYSA-N 1 0 445.607 5.092 50 0 IKAARO COc1ccc(CN2CCC([N@H+](CCc3ccccc3)Cc3ccccc3)CC2)c(OC)c1 ZINC000009933468 562977802 /nfs/dbraw/zinc/97/78/02/562977802.db2.gz IOMRUVGLZCUFRT-UHFFFAOYSA-N 1 0 444.619 5.413 50 0 IKAARO COc1ccc([C@@H](CNC(=O)c2ccc(-c3nc4ccccc4s3)o2)[NH+]2CCCC2)cc1 ZINC000009950232 562977824 /nfs/dbraw/zinc/97/78/24/562977824.db2.gz UPXVEJJJODSONG-HXUWFJFHSA-N 1 0 447.560 5.132 50 0 IKAARO COc1ccc(NC(=O)[C@@H]2CC23CC[NH+](Cc2cccc4ncccc24)CC3)cc1Cl ZINC000011996328 562980188 /nfs/dbraw/zinc/98/01/88/562980188.db2.gz IHAUMPOJGGZAIT-FQEVSTJZSA-N 1 0 435.955 5.138 50 0 IKAARO C[C@@H](c1nccs1)N(C)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012300902 562981055 /nfs/dbraw/zinc/98/10/55/562981055.db2.gz CGIGALWQMLKWKR-FQEVSTJZSA-N 1 0 449.620 5.062 50 0 IKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1OC ZINC000013139873 562985169 /nfs/dbraw/zinc/98/51/69/562985169.db2.gz JSDVJMOIUAOCKP-VWLOTQADSA-N 1 0 437.555 5.942 50 0 IKAARO CCn1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)c1C ZINC000014949064 563015583 /nfs/dbraw/zinc/01/55/83/563015583.db2.gz PZHQTEVQGUAXTM-JOCHJYFZSA-N 1 0 441.579 5.210 50 0 IKAARO CC(C)n1cc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)cn1 ZINC000014960119 563016107 /nfs/dbraw/zinc/01/61/07/563016107.db2.gz WQVWVOQQWVSDKX-UHFFFAOYSA-N 1 0 436.987 5.635 50 0 IKAARO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000017301218 563021903 /nfs/dbraw/zinc/02/19/03/563021903.db2.gz XZINJFBYGWCMQT-RUZDIDTESA-N 1 0 445.434 7.144 50 0 IKAARO O[C@H](C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccccc1 ZINC000104983666 568622997 /nfs/dbraw/zinc/62/29/97/568622997.db2.gz RXGRISKPTXXVQF-ILBGXUMGSA-N 1 0 438.930 5.208 50 0 IKAARO Cc1[nH+]c(NCc2ccccn2)nc(N)c1/C=C/C(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000000988302 568649033 /nfs/dbraw/zinc/64/90/33/568649033.db2.gz DIEPDKOVWALKHY-VAWYXSNFSA-N 1 0 427.474 5.384 50 0 IKAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(c2ccc(OC)cc2)CCO1 ZINC000004027799 568758859 /nfs/dbraw/zinc/75/88/59/568758859.db2.gz OCZJOJKHSMJOSE-IZZNHLLZSA-N 1 0 427.585 5.109 50 0 biogenic IKAARO COc1ccc(C[NH2+]CC[C@H](c2ccccc2OC)[C@H]2CCOC(C)(C)C2)cc1OC ZINC000004027905 568758966 /nfs/dbraw/zinc/75/89/66/568758966.db2.gz IGJZWRNLGLPQPE-SFTDATJTSA-N 1 0 427.585 5.181 50 0 biogenic IKAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@@H]21 ZINC000004073314 568760438 /nfs/dbraw/zinc/76/04/38/568760438.db2.gz MMPRIJBNPCMKRF-UNOLVRNPSA-N 1 0 432.608 5.902 50 0 biogenic IKAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@@H]21 ZINC000004073313 568760450 /nfs/dbraw/zinc/76/04/50/568760450.db2.gz MMPRIJBNPCMKRF-VRAYHDTKSA-N 1 0 432.608 5.902 50 0 biogenic IKAARO CCc1cc([C@@H](c2ccccc2OC)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000001235998 568762294 /nfs/dbraw/zinc/76/22/94/568762294.db2.gz MOYHVGLQPRVQOM-XMMPIXPASA-N 1 0 434.605 6.147 50 0 IKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC)c(COc2cccc(C)c2C)c1 ZINC000001322492 568780246 /nfs/dbraw/zinc/78/02/46/568780246.db2.gz AYVLMYXKNHLAAI-HHHXNRCGSA-N 1 0 442.559 5.616 50 0 biogenic IKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cn(Cc4ccccc4)c4ccccc24)N3)C1 ZINC000004124952 568780830 /nfs/dbraw/zinc/78/08/30/568780830.db2.gz YEDHIURUHGJSEK-XMMPIXPASA-N 1 0 442.588 5.558 50 0 IKAARO Cc1nc(-c2cccc(NC(=O)NCc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)c2)oc1C ZINC000084061823 568790807 /nfs/dbraw/zinc/79/08/07/568790807.db2.gz RFQHWHJURFGLCC-GOSISDBHSA-N 1 0 432.568 5.512 50 0 IKAARO Cc1ccccc1Cn1cc(CCC(=O)NCCC[N@@H+](C)C2CCCCC2)c2ccccc21 ZINC000015678424 568805186 /nfs/dbraw/zinc/80/51/86/568805186.db2.gz BIAWYVKACKXNGM-UHFFFAOYSA-N 1 0 445.651 5.701 50 0 IKAARO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)nc1COc1ccc(C)cc1 ZINC000015682139 568807084 /nfs/dbraw/zinc/80/70/84/568807084.db2.gz AQOPSNSGJADZNS-UHFFFAOYSA-N 1 0 447.579 5.143 50 0 IKAARO Cc1oc(-c2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2)nc1COc1ccc(C)cc1 ZINC000015682140 568807157 /nfs/dbraw/zinc/80/71/57/568807157.db2.gz FEQMDFYMADPANY-UHFFFAOYSA-N 1 0 447.579 5.143 50 0 IKAARO Cc1cc2ccccc2n1-c1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000015732332 568815258 /nfs/dbraw/zinc/81/52/58/568815258.db2.gz JCKRHUDWXQLMHW-UHFFFAOYSA-N 1 0 429.589 5.395 50 0 IKAARO Fc1ccc([C@@H](NC2CC[NH+](Cc3ccccc3)CC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000015733627 568815887 /nfs/dbraw/zinc/81/58/87/568815887.db2.gz LBEZSDPDQZDFNO-RUZDIDTESA-N 1 0 442.538 5.219 50 0 IKAARO Cc1ccc2nc3sc(C(=O)NCC4CC[NH+](Cc5ccccc5C)CC4)cc3cc2c1 ZINC000085393876 568817225 /nfs/dbraw/zinc/81/72/25/568817225.db2.gz ZHFYHJDLWRVPAQ-UHFFFAOYSA-N 1 0 443.616 5.708 50 0 IKAARO Cc1ccc2nc3oc(C(=O)NCC4CC[NH+](Cc5ccccc5C)CC4)cc3cc2c1 ZINC000085393291 568817244 /nfs/dbraw/zinc/81/72/44/568817244.db2.gz ZZHQFBNQDKWVAA-UHFFFAOYSA-N 1 0 427.548 5.240 50 0 IKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCCC2)c1C ZINC000001448866 568817601 /nfs/dbraw/zinc/81/76/01/568817601.db2.gz GKXSMZSJWGNERB-FQEVSTJZSA-N 1 0 448.510 6.414 50 0 IKAARO COc1cccc(C[N@H+](C[C@@H](O)COc2ccccc2C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000006051578 568819686 /nfs/dbraw/zinc/81/96/86/568819686.db2.gz DTGUXZWHHOWIRO-JJXGVTDJSA-N 1 0 435.608 5.214 50 0 IKAARO COc1ccc(-c2nc3ccccc3c(NC[C@@H]3CC[N@H+](Cc4ccc(C)cc4)C3)n2)cc1 ZINC000015781621 568826001 /nfs/dbraw/zinc/82/60/01/568826001.db2.gz JHXIDWJAFFXEIN-QFIPXVFZSA-N 1 0 438.575 5.548 50 0 IKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649818 568831299 /nfs/dbraw/zinc/83/12/99/568831299.db2.gz FWUFKMHHZSQPSQ-IBGZPJMESA-N 1 0 447.558 5.021 50 0 IKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1 ZINC000085651188 568831824 /nfs/dbraw/zinc/83/18/24/568831824.db2.gz FSLZWKFHGWETOG-IBGZPJMESA-N 1 0 440.975 5.609 50 0 IKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1 ZINC000085651187 568831877 /nfs/dbraw/zinc/83/18/77/568831877.db2.gz FSLZWKFHGWETOG-LJQANCHMSA-N 1 0 440.975 5.609 50 0 IKAARO O=C(CC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)N1CCCC[C@H]1c1nccs1 ZINC000104522493 568837520 /nfs/dbraw/zinc/83/75/20/568837520.db2.gz UOIYYTHRBJOCPP-LADGPHEKSA-N 1 0 447.604 5.223 50 0 IKAARO Cc1ncc(C[NH2+]C2CCCCC2)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000085879203 568838949 /nfs/dbraw/zinc/83/89/49/568838949.db2.gz NYECSTNEDACFLA-UHFFFAOYSA-N 1 0 432.476 5.061 50 0 biogenic IKAARO Cc1ncc(C[NH+]2CCCCCC2)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000085879501 568839158 /nfs/dbraw/zinc/83/91/58/568839158.db2.gz YWFAIUYJGKVDAI-UHFFFAOYSA-N 1 0 432.476 5.014 50 0 biogenic IKAARO COC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCN(C(C)C)C2 ZINC000015823475 568840219 /nfs/dbraw/zinc/84/02/19/568840219.db2.gz RYGSGDRLOTXEHO-UHFFFAOYSA-N 1 0 448.997 5.422 50 0 IKAARO CCCc1cc(OC)ccc1OCCCC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045068907 568843342 /nfs/dbraw/zinc/84/33/42/568843342.db2.gz AKHVPXIZKPFDRW-UHFFFAOYSA-N 1 0 431.020 5.278 50 0 IKAARO C[C@H](CCc1ccc(-c2ccccc2)cc1)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045068901 568843346 /nfs/dbraw/zinc/84/33/46/568843346.db2.gz BHFSROXRTYADKB-HSZRJFAPSA-N 1 0 433.039 6.394 50 0 IKAARO COc1ccccc1[C@H](c1oc2ccccc2c1NC(=O)c1ccco1)[NH+]1CCCCC1 ZINC000015859309 568847104 /nfs/dbraw/zinc/84/71/04/568847104.db2.gz DBVLNLXVFZHZDJ-XMMPIXPASA-N 1 0 430.504 5.862 50 0 IKAARO Cc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)cc1 ZINC000015859338 568847129 /nfs/dbraw/zinc/84/71/29/568847129.db2.gz MYNQWAIIMHRZHK-RUZDIDTESA-N 1 0 428.532 6.408 50 0 IKAARO CC1CC[NH+]([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)c2ccc(Cl)cc2)CC1 ZINC000015859320 568847152 /nfs/dbraw/zinc/84/71/52/568847152.db2.gz INXIJBRRFHFNJU-XMMPIXPASA-N 1 0 448.950 6.753 50 0 IKAARO COc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000015859303 568847240 /nfs/dbraw/zinc/84/72/40/568847240.db2.gz ODBUTUDTIGOWNQ-XMMPIXPASA-N 1 0 430.504 5.862 50 0 IKAARO O=C(Nc1c2ccccc2oc1[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1)c1ccccc1 ZINC000015859511 568847385 /nfs/dbraw/zinc/84/73/85/568847385.db2.gz YKXGOHUIJRYSQX-RUZDIDTESA-N 1 0 428.507 6.400 50 0 IKAARO COc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)[NH+]2CCCCC2)cc1 ZINC000015859372 568847538 /nfs/dbraw/zinc/84/75/38/568847538.db2.gz DXEYQJCLZVCLMG-DEOSSOPVSA-N 1 0 446.572 6.331 50 0 IKAARO CC1CC[NH+]([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2cccnc2)CC1 ZINC000015859414 568847560 /nfs/dbraw/zinc/84/75/60/568847560.db2.gz AMQRFNGQNOGVGG-HSZRJFAPSA-N 1 0 431.561 5.963 50 0 IKAARO CC1CC[NH+]([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2cccnc2)CC1 ZINC000015859413 568847651 /nfs/dbraw/zinc/84/76/51/568847651.db2.gz AMQRFNGQNOGVGG-QHCPKHFHSA-N 1 0 431.561 5.963 50 0 IKAARO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)c3c(C)ccc(C)c3[nH]2)cc1OC ZINC000015862345 568848626 /nfs/dbraw/zinc/84/86/26/568848626.db2.gz KHJIPLSACIETLF-UHFFFAOYSA-N 1 0 442.559 5.365 50 0 IKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000015865006 568849925 /nfs/dbraw/zinc/84/99/25/568849925.db2.gz UABMQANBERAWAX-UHFFFAOYSA-N 1 0 445.950 5.543 50 0 IKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3ccc(C)cc3)oc1C)[C@H]2c1ccccc1 ZINC000015864878 568850341 /nfs/dbraw/zinc/85/03/41/568850341.db2.gz FTEXZDQPZDDIIW-SANMLTNESA-N 1 0 442.628 7.038 50 0 IKAARO Cc1cc2c(cc1-c1ccnc(N3CC[NH+](Cc4ccccc4)CC3)n1)[C@@H](C)CC(C)(C)N2 ZINC000575473059 568873277 /nfs/dbraw/zinc/87/32/77/568873277.db2.gz BBLQEWLUKBAHME-NRFANRHFSA-N 1 0 441.623 5.472 50 0 IKAARO Cc1nn2c(nc(CN(Cc3c(F)cccc3Cl)[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2=O)s1 ZINC000229766227 568886862 /nfs/dbraw/zinc/88/68/62/568886862.db2.gz NBVDQWMITURYPV-LAPQFRIASA-N 1 0 448.995 5.079 50 0 IKAARO CC1=C(c2ccccc2)[N@H+](Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000001879468 568917388 /nfs/dbraw/zinc/91/73/88/568917388.db2.gz VDDUSYQXSVDMQA-LOYHVIPDSA-N 1 0 443.590 7.216 50 0 IKAARO O=C(C[NH2+]Cc1ccc(F)cc1)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1Cl ZINC000016528269 568920590 /nfs/dbraw/zinc/92/05/90/568920590.db2.gz MMXRXKMVDDEWDR-JOCHJYFZSA-N 1 0 449.378 5.458 50 0 IKAARO CN(Cc1ccc(Cl)cc1)N1c2ccccc2[C@@](CCC[NH+](C)C)(c2ccccc2)C1=O ZINC000002010221 568924953 /nfs/dbraw/zinc/92/49/53/568924953.db2.gz RCHASPWHQQEZMS-HHHXNRCGSA-N 1 0 448.010 5.362 50 0 IKAARO Cn1cc([C@H](CC(=O)NCC[NH+]2CCCC2)c2ccc(C(C)(C)C)cc2)c2ccccc21 ZINC000006723152 568963307 /nfs/dbraw/zinc/96/33/07/568963307.db2.gz ANTRXOXRHNHVLO-XMMPIXPASA-N 1 0 431.624 5.210 50 0 IKAARO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F)C12CC3CC(CC(C3)C1)C2 ZINC000008497302 568965023 /nfs/dbraw/zinc/96/50/23/568965023.db2.gz DPTIMYNFFUCOND-BALBBAFXSA-N 1 0 427.991 6.753 50 0 IKAARO COc1ccc([C@@](O)(c2ccccc2OC)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744389 568971302 /nfs/dbraw/zinc/97/13/02/568971302.db2.gz FEYQZQXTRFNYRT-IXCJQBJRSA-N 1 0 431.576 5.209 50 0 IKAARO COc1ccc([C@](O)(c2ccccc2OC)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744395 568971346 /nfs/dbraw/zinc/97/13/46/568971346.db2.gz FEYQZQXTRFNYRT-IAPPQJPRSA-N 1 0 431.576 5.209 50 0 IKAARO CCC[N@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1sccc1C ZINC000036202305 568972426 /nfs/dbraw/zinc/97/24/26/568972426.db2.gz OOIQFOGCCAIQRL-UHFFFAOYSA-N 1 0 443.659 6.469 50 0 IKAARO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F)C12CC3CC(CC(C3)C1)C2 ZINC000008534854 568974168 /nfs/dbraw/zinc/97/41/68/568974168.db2.gz DPTIMYNFFUCOND-ZFGQVMFLSA-N 1 0 427.991 6.753 50 0 IKAARO C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@]34C)[C@H]1CC[C@@H]2OC(=O)CC[NH+]1CCCCC1 ZINC000006780235 568984090 /nfs/dbraw/zinc/98/40/90/568984090.db2.gz FKAJEUFWOXAABF-AZRZUIITSA-N 1 0 429.645 5.386 50 0 IKAARO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@H+](C[C@H](O)CC)CC1CC1 ZINC000036302636 568993658 /nfs/dbraw/zinc/99/36/58/568993658.db2.gz GWGZVHOSJLTFMG-JOCHJYFZSA-N 1 0 449.595 5.219 50 0 IKAARO CCC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036302172 568994014 /nfs/dbraw/zinc/99/40/14/568994014.db2.gz QWGDRIVIWGVXPP-QFIPXVFZSA-N 1 0 437.584 5.355 50 0 IKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)C[C@@H](C)O ZINC000036301880 568994076 /nfs/dbraw/zinc/99/40/76/568994076.db2.gz OPRGQAFSMZTEGP-QGZVFWFLSA-N 1 0 443.975 5.228 50 0 IKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C[C@H](O)CC ZINC000036303783 568994234 /nfs/dbraw/zinc/99/42/34/568994234.db2.gz GBCBREMMUQBBOL-OAQYLSRUSA-N 1 0 427.976 5.609 50 0 IKAARO CCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036304618 568994688 /nfs/dbraw/zinc/99/46/88/568994688.db2.gz CFMWBCFZEFKIPH-HSZRJFAPSA-N 1 0 449.595 5.355 50 0 IKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)C(C)C ZINC000036305880 568995315 /nfs/dbraw/zinc/99/53/15/568995315.db2.gz FXQIWDXUSCPBSP-JOCHJYFZSA-N 1 0 437.584 5.117 50 0 IKAARO CC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036305954 568995386 /nfs/dbraw/zinc/99/53/86/568995386.db2.gz MWAIDVJGAHOOSZ-NRFANRHFSA-N 1 0 437.584 5.117 50 0 IKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000036313763 568998716 /nfs/dbraw/zinc/99/87/16/568998716.db2.gz YIRIDVQUPQTVFP-RUZDIDTESA-N 1 0 447.623 6.045 50 0 IKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C ZINC000036313990 568998969 /nfs/dbraw/zinc/99/89/69/568998969.db2.gz LHTKJBFVDPEZAT-HSZRJFAPSA-N 1 0 435.612 5.889 50 0 IKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@@H](O)CC)CC1CC1 ZINC000036316487 568999858 /nfs/dbraw/zinc/99/98/58/568999858.db2.gz PPWAQGBWRKFYPA-NRFANRHFSA-N 1 0 437.559 5.349 50 0 IKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)CC ZINC000036316470 568999885 /nfs/dbraw/zinc/99/98/85/568999885.db2.gz CGUCTVWBKNQQSH-HXUWFJFHSA-N 1 0 425.548 5.349 50 0 IKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@H+](CC(C)C)C[C@H](C)O ZINC000036341949 569079673 /nfs/dbraw/zinc/07/96/73/569079673.db2.gz MXIHQBJMGYJUDK-SFHVURJKSA-N 1 0 427.976 5.465 50 0 IKAARO CCOc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000036344155 569079996 /nfs/dbraw/zinc/07/99/96/569079996.db2.gz UVFNTDKILYFEDT-AREMUKBSSA-N 1 0 433.596 5.112 50 0 IKAARO CCCC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346044 569080866 /nfs/dbraw/zinc/08/08/66/569080866.db2.gz NIGOJVDDXKJGLD-JOCHJYFZSA-N 1 0 439.575 5.875 50 0 IKAARO CCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346086 569080892 /nfs/dbraw/zinc/08/08/92/569080892.db2.gz KSFFZJWNFKOAMB-JOCHJYFZSA-N 1 0 437.559 5.485 50 0 IKAARO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036346013 569080930 /nfs/dbraw/zinc/08/09/30/569080930.db2.gz LLANFBRWELVTCH-QFIPXVFZSA-N 1 0 437.559 5.628 50 0 IKAARO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346223 569081068 /nfs/dbraw/zinc/08/10/68/569081068.db2.gz YAQXCEJGLGXAAC-QFIPXVFZSA-N 1 0 425.548 5.341 50 0 IKAARO CCCC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346371 569081074 /nfs/dbraw/zinc/08/10/74/569081074.db2.gz IRCKNPSLJQZOHV-HSZRJFAPSA-N 1 0 439.575 5.875 50 0 IKAARO CCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346422 569081238 /nfs/dbraw/zinc/08/12/38/569081238.db2.gz URYJXRSUUCKHEY-HSZRJFAPSA-N 1 0 437.559 5.485 50 0 IKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346794 569081350 /nfs/dbraw/zinc/08/13/50/569081350.db2.gz MTFAWIREHLAKGH-XMMPIXPASA-N 1 0 449.639 6.197 50 0 IKAARO Cc1ccc(Cn2cc(CCC(=O)NCCC[N@H+]3CCCC[C@@H]3C)c3ccccc32)cc1 ZINC000006858138 569091142 /nfs/dbraw/zinc/09/11/42/569091142.db2.gz LAIOKXNUSPSULS-QHCPKHFHSA-N 1 0 431.624 5.311 50 0 IKAARO CC(C)CC[C@@H](NC(=O)NC1CCCC1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000006877439 569095953 /nfs/dbraw/zinc/09/59/53/569095953.db2.gz HKXRXIICZVWCRC-HXUWFJFHSA-N 1 0 428.646 5.246 50 0 IKAARO C[N@H+](C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)[C@@H]1CCCc2ccccc21 ZINC000006906552 569105813 /nfs/dbraw/zinc/10/58/13/569105813.db2.gz SWALGPRZWCNYDD-LEAFIULHSA-N 1 0 429.604 5.762 50 0 IKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1 ZINC000006913219 569106910 /nfs/dbraw/zinc/10/69/10/569106910.db2.gz PUPCOGGUMHUMBM-RUZDIDTESA-N 1 0 431.624 5.691 50 0 IKAARO CCCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3ccccc3OC)ccc21 ZINC000065322378 569136639 /nfs/dbraw/zinc/13/66/39/569136639.db2.gz UZEMJEYPAFCCBA-UHFFFAOYSA-N 1 0 434.584 5.329 50 0 IKAARO CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC([NH+]5CCCC5)=CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253609442 569138210 /nfs/dbraw/zinc/13/82/10/569138210.db2.gz RGRNUVRIJBGXEL-CYHUXVSVSA-N 1 0 439.772 8.697 50 0 IKAARO COc1ccccc1C(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000037280042 569145738 /nfs/dbraw/zinc/14/57/38/569145738.db2.gz GGSJUZNMXCMBPO-UHFFFAOYSA-N 1 0 432.539 5.454 50 0 IKAARO COc1ccccc1C[NH+]1CCC(N(C(=O)c2ccc(C)cc2)c2ccc(C)cc2)CC1 ZINC000037280038 569145749 /nfs/dbraw/zinc/14/57/49/569145749.db2.gz VHIMCGAAZIJNOS-UHFFFAOYSA-N 1 0 428.576 5.623 50 0 IKAARO COc1cc2c(cc1OC)C1(CCOCC1)C[NH2+][C@H]2CC(c1ccccc1)c1ccccc1 ZINC000002132631 569175159 /nfs/dbraw/zinc/17/51/59/569175159.db2.gz JXPFMEQJNNDXSY-SANMLTNESA-N 1 0 443.587 5.619 50 0 IKAARO Cc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@H+]5CCCC[C@@H]5C)cc4sc3n2)cc1 ZINC000009406355 569182967 /nfs/dbraw/zinc/18/29/67/569182967.db2.gz GEMWCHOJUHMABM-IBGZPJMESA-N 1 0 446.620 5.519 50 0 IKAARO C[C@]12CC[C@@H]3c4ccc(OC(=O)CC[N@@H+]5CCCC(C)(C)C5)cc4CC[C@H]3[C@@H]1CCC2=O ZINC000002129878 569184254 /nfs/dbraw/zinc/18/42/54/569184254.db2.gz KDYPCXIDBCQDOZ-DFIMXKNXSA-N 1 0 437.624 5.529 50 0 biogenic IKAARO Cc1ccc(-c2nc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc3c4ccccc4[nH]c32)cc1 ZINC000002131556 569184883 /nfs/dbraw/zinc/18/48/83/569184883.db2.gz VAPLTACBYNTHSB-UHFFFAOYSA-N 1 0 440.591 5.731 50 0 biogenic IKAARO Cc1ccc(C(=O)N2CCc3ccccc3C2)c(C2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000037554547 569200581 /nfs/dbraw/zinc/20/05/81/569200581.db2.gz WDOHYUFPXMYVMT-UHFFFAOYSA-N 1 0 443.566 5.107 50 0 IKAARO COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000037560644 569201050 /nfs/dbraw/zinc/20/10/50/569201050.db2.gz LRPFSSIGUOSVMH-UHFFFAOYSA-N 1 0 434.967 5.660 50 0 IKAARO Cc1cccc(C[NH+]2CCC(N(C(=O)c3cccc(Cl)c3)c3ccc(F)cc3)CC2)c1 ZINC000037560723 569201102 /nfs/dbraw/zinc/20/11/02/569201102.db2.gz XXNAAHONLLXPFR-UHFFFAOYSA-N 1 0 436.958 6.099 50 0 IKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(C)c(F)c3)CC2)cc1 ZINC000037560482 569201119 /nfs/dbraw/zinc/20/11/19/569201119.db2.gz VJXYUMBRRUGPBN-UHFFFAOYSA-N 1 0 432.539 5.454 50 0 IKAARO COc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1OC ZINC000037570616 569201177 /nfs/dbraw/zinc/20/11/77/569201177.db2.gz DKJAUVLZEDRZHR-UHFFFAOYSA-N 1 0 444.575 5.324 50 0 IKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3cccc(OC)c3)CC2)c1 ZINC000037570650 569201202 /nfs/dbraw/zinc/20/12/02/569201202.db2.gz NLJOLPFPYHDDSB-UHFFFAOYSA-N 1 0 448.538 5.154 50 0 IKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3cccc(C)c3)c3ccc(C)cc3)CC2)cc1 ZINC000037570623 569201241 /nfs/dbraw/zinc/20/12/41/569201241.db2.gz ODFJIJLPTUDAPS-UHFFFAOYSA-N 1 0 428.576 5.623 50 0 IKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(C)C)cc1 ZINC000002222956 569204676 /nfs/dbraw/zinc/20/46/76/569204676.db2.gz YRTSHZXBPLNYOV-DEOSSOPVSA-N 1 0 432.564 5.194 50 0 IKAARO CCCCC[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1cccc(OC)c1 ZINC000027531067 569265718 /nfs/dbraw/zinc/26/57/18/569265718.db2.gz QFILAZDOFCAJFI-GKIKGMKOSA-N 1 0 443.631 6.897 50 0 IKAARO CCOc1ccccc1C(=O)N1CCC([NH2+][C@H](C)CC(C)(C)c2c[nH]c3ccccc32)CC1 ZINC000253416051 569266395 /nfs/dbraw/zinc/26/63/95/569266395.db2.gz SAHUJVWGHCKPRP-HXUWFJFHSA-N 1 0 447.623 5.517 50 0 IKAARO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)cc3)[C@H](C)[C@@](O)(Cc3ccccc3)[C@H]2C)cc1 ZINC000245294884 569269875 /nfs/dbraw/zinc/26/98/75/569269875.db2.gz BTUTYNXWDXRDAN-OTSSDEFXSA-N 1 0 431.576 5.335 50 0 IKAARO C[C@H]1CC[C@]2(C)[C@@H]3C[C@@H]4[C@H](CC[C@@H]5[C@@H]4C[N@@H+]4C[C@@H](C)CC[C@H]4[C@@]5(C)O)[C@H]3CC(=O)[C@H]2C1 ZINC000247694634 569269975 /nfs/dbraw/zinc/26/99/75/569269975.db2.gz YSOKTNCRCPDOCA-TYCRDEJFSA-N 1 0 427.673 5.162 50 0 IKAARO CC[C@H]1CCCC[N@@H+]1[C@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O ZINC000248339234 569271067 /nfs/dbraw/zinc/27/10/67/569271067.db2.gz SKFHLRLOYXFONB-RXVVDRJESA-N 1 0 433.577 5.168 50 0 IKAARO C[C@@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)Cc1ccccc1 ZINC000252320700 569271211 /nfs/dbraw/zinc/27/12/11/569271211.db2.gz NATCMOXDTBVZOU-YWLJCOKJSA-N 1 0 440.414 6.625 50 0 IKAARO Clc1ccc(Oc2cccc(CN3CC[N@@H+]4CCC[C@H]4[C@H]3C3CCCCC3)c2)cc1 ZINC000252469972 569271232 /nfs/dbraw/zinc/27/12/32/569271232.db2.gz CAUUZMHTQOKFAB-IZZNHLLZSA-N 1 0 425.016 6.361 50 0 IKAARO O=C(Nc1ccccc1Cl)c1ccc(OCC[NH+]2CCC(C(F)(F)F)CC2)cc1 ZINC000263640108 569282437 /nfs/dbraw/zinc/28/24/37/569282437.db2.gz XXJPQWPIFZNTIF-UHFFFAOYSA-N 1 0 426.866 5.245 50 0 IKAARO COCCn1c2ccc(C)cc2cc(C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)c1=O ZINC000299792908 569283702 /nfs/dbraw/zinc/28/37/02/569283702.db2.gz HJNNHKLMFKJLCI-AREMUKBSSA-N 1 0 446.978 5.489 50 0 IKAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[NH2+]C[C@H]2COc3ccccc3O2)cc1 ZINC000299767516 569283710 /nfs/dbraw/zinc/28/37/10/569283710.db2.gz HOUHAIIRXGZUDN-QHCPKHFHSA-N 1 0 426.516 5.148 50 0 IKAARO C[N@H+]1C[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000008888309 569292112 /nfs/dbraw/zinc/29/21/12/569292112.db2.gz GYOAHBGWMYFOGR-ZWKOTPCHSA-N 1 0 434.750 6.435 50 0 IKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000002414414 569301252 /nfs/dbraw/zinc/30/12/52/569301252.db2.gz XDTGQDSTNXNMGA-XMMPIXPASA-N 1 0 446.591 5.368 50 0 IKAARO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000013363847 569314140 /nfs/dbraw/zinc/31/41/40/569314140.db2.gz GKIWJPUBLJCGAN-UHFFFAOYSA-N 1 0 425.882 5.393 50 0 IKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369084 569314694 /nfs/dbraw/zinc/31/46/94/569314694.db2.gz BYOVIIVOXMJYPS-RTBURBONSA-N 1 0 439.003 5.126 50 0 IKAARO Clc1ccc([C@@H](c2ccccc2)N2CC[NH+](CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000020032642 569332587 /nfs/dbraw/zinc/33/25/87/569332587.db2.gz MDHWZXAVBYFNDP-MUUNZHRXSA-N 1 0 444.022 6.161 50 0 biogenic IKAARO CCCCCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020034600 569332625 /nfs/dbraw/zinc/33/26/25/569332625.db2.gz UXTNEBZBEZFKGG-RRPNLBNLSA-N 1 0 425.613 5.359 50 0 IKAARO CCCC[N@H+](C)CCCN(Cc1cccs1)C(=S)Nc1ccc(C(=O)OCC)cc1 ZINC000020107630 569334237 /nfs/dbraw/zinc/33/42/37/569334237.db2.gz ZUUFNRWZJDPGTN-UHFFFAOYSA-N 1 0 447.670 5.246 50 0 IKAARO S=C(Nc1ccc(Oc2ccccc2)cc1)N(CC[NH+]1CCCCCC1)Cc1ccco1 ZINC000020107708 569334251 /nfs/dbraw/zinc/33/42/51/569334251.db2.gz SWTHLUKYDPLURD-UHFFFAOYSA-N 1 0 449.620 6.147 50 0 IKAARO COc1ccc(Cl)cc1NC(=S)N(CCC[N@@H+]1CCC[C@@H](C)C1)Cc1ccco1 ZINC000020107776 569334315 /nfs/dbraw/zinc/33/43/15/569334315.db2.gz ZDBFJMCTADYOFO-QGZVFWFLSA-N 1 0 436.021 5.263 50 0 IKAARO Brc1ccc([C@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1 ZINC000020111712 569334592 /nfs/dbraw/zinc/33/45/92/569334592.db2.gz CHHFORGPJYRIQU-HSZRJFAPSA-N 1 0 433.349 5.745 50 0 biogenic IKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)C1 ZINC000020116429 569335111 /nfs/dbraw/zinc/33/51/11/569335111.db2.gz ZROUVUQPTDRFQM-MRXNPFEDSA-N 1 0 428.001 5.469 50 0 IKAARO Clc1cccc(-c2nnc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)o2)c1 ZINC000020177892 569354551 /nfs/dbraw/zinc/35/45/51/569354551.db2.gz IRJKNBOFPYSJEY-UHFFFAOYSA-N 1 0 444.966 5.297 50 0 IKAARO CCC1=Nc2cc(C(=O)NCCC[NH+]3[C@@H](C)CCC[C@@H]3C)ccc2Sc2ccc(C)cc21 ZINC000020178957 569354656 /nfs/dbraw/zinc/35/46/56/569354656.db2.gz JESOBZRGCBLALC-PMACEKPBSA-N 1 0 449.664 6.373 50 0 IKAARO CCC1=Nc2cc(C(=O)NCCC[NH+]3CCCCCC3)ccc2Sc2ccc(C)cc21 ZINC000020178991 569354718 /nfs/dbraw/zinc/35/47/18/569354718.db2.gz OEPUVNNGQROSCQ-UHFFFAOYSA-N 1 0 435.637 5.986 50 0 IKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)C1 ZINC000020239174 569357605 /nfs/dbraw/zinc/35/76/05/569357605.db2.gz WKSYPXGXVNLNKM-HZPDHXFCSA-N 1 0 445.032 5.053 50 0 IKAARO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)NCCc4ccc(C)cc4)C3)c(C)o2)cc1 ZINC000020240932 569357703 /nfs/dbraw/zinc/35/77/03/569357703.db2.gz HLAYSHFAHXNPDN-RUZDIDTESA-N 1 0 445.607 5.092 50 0 IKAARO OC(C[NH2+]Cc1ccc(Cl)c(Cl)c1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365349 569361894 /nfs/dbraw/zinc/36/18/94/569361894.db2.gz OJRITUOCZWFMDZ-UHFFFAOYSA-N 1 0 441.185 6.326 50 0 IKAARO CSc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(C(F)(F)F)n1 ZINC000020404978 569363718 /nfs/dbraw/zinc/36/37/18/569363718.db2.gz RNYAHHYIXPQRTJ-UHFFFAOYSA-N 1 0 444.526 5.129 50 0 IKAARO COc1cccc([C@]2(C)CC[N@H+](CCC=C(c3ccc(F)cc3)c3ccc(F)cc3)C2)c1 ZINC000096027706 569380778 /nfs/dbraw/zinc/38/07/78/569380778.db2.gz VLVGEWFINOURNZ-MUUNZHRXSA-N 1 0 433.542 6.459 50 0 IKAARO Cc1ncc(C[N@@H+](C)C2CCCCC2)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116449 569383827 /nfs/dbraw/zinc/38/38/27/569383827.db2.gz DFPYFFVBERJHJC-UHFFFAOYSA-N 1 0 442.559 6.163 50 0 biogenic IKAARO Cc1ccc(C)c([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)c1 ZINC000096183794 569386030 /nfs/dbraw/zinc/38/60/30/569386030.db2.gz FLVZVMCAQPODIX-NDEPHWFRSA-N 1 0 442.603 5.638 50 0 IKAARO Cc1ccc(Nc2nc(C(=O)NCC[N@H+]3CCCC[C@H]3C)cc3occc32)cc1Cl ZINC000096323720 569395354 /nfs/dbraw/zinc/39/53/54/569395354.db2.gz WKMFGFAXCXAREO-MRXNPFEDSA-N 1 0 426.948 5.137 50 0 IKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000096323675 569395373 /nfs/dbraw/zinc/39/53/73/569395373.db2.gz WOQPSPINHBIBNX-UHFFFAOYSA-N 1 0 444.510 5.105 50 0 IKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000096399378 569399981 /nfs/dbraw/zinc/39/99/81/569399981.db2.gz MJXDCFIBKNDRMN-UHFFFAOYSA-N 1 0 439.559 5.007 50 0 IKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000002617083 569410251 /nfs/dbraw/zinc/41/02/51/569410251.db2.gz LTIPGBWULGEQSY-UHFFFAOYSA-N 1 0 433.602 5.419 50 0 IKAARO CCc1ccc(Sc2cc(C(=O)NCCC[NH+]3CCCCC3)c3ccccc3n2)cc1 ZINC000002941392 569426625 /nfs/dbraw/zinc/42/66/25/569426625.db2.gz ZPLKYQANCYFJDI-UHFFFAOYSA-N 1 0 433.621 5.554 50 0 IKAARO O[C@@H](CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3)C[NH+]1CCCCCC1 ZINC000057049735 569429232 /nfs/dbraw/zinc/42/92/32/569429232.db2.gz FVTKUMLHMGZMOF-UFHPHHKVSA-N 1 0 449.683 5.619 50 0 biogenic IKAARO O[C@@H](CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3)C[NH+]1CCCCCC1 ZINC000057049736 569429283 /nfs/dbraw/zinc/42/92/83/569429283.db2.gz FVTKUMLHMGZMOF-YWEHKCAJSA-N 1 0 449.683 5.619 50 0 biogenic IKAARO Cc1ccc(C2=C(Cl)/C(=C\C[NH+](C)C)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000057061451 569429390 /nfs/dbraw/zinc/42/93/90/569429390.db2.gz XGYTWGZBVRWFDM-QKSFETHESA-N 1 0 433.954 6.754 50 0 IKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(Cl)cc1Cl ZINC000057279106 569430518 /nfs/dbraw/zinc/43/05/18/569430518.db2.gz NARIGROMDNDMDJ-UHFFFAOYSA-N 1 0 440.374 5.568 50 0 IKAARO CCOc1ccc(-c2cc(C(=O)NCC[NH+](CC(C)C)CC(C)C)c3ccccc3n2)cc1 ZINC000003007994 569435234 /nfs/dbraw/zinc/43/52/34/569435234.db2.gz WEIYEAITEWRGSQ-UHFFFAOYSA-N 1 0 447.623 5.644 50 0 IKAARO CC(C)C[NH+](CCCNC(=O)c1cc(Nc2ccccc2)nc2ccccc21)CC(C)C ZINC000003027359 569436363 /nfs/dbraw/zinc/43/63/63/569436363.db2.gz CKRBNEBIIVHBGT-UHFFFAOYSA-N 1 0 432.612 5.712 50 0 IKAARO CC[NH+](CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1cccc(SC)c1 ZINC000003029477 569436693 /nfs/dbraw/zinc/43/66/93/569436693.db2.gz SINAKOPUTXSOAV-UHFFFAOYSA-N 1 0 440.682 5.821 50 0 IKAARO CC[NH+](CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1cccc(Cl)c1C ZINC000003029497 569436730 /nfs/dbraw/zinc/43/67/30/569436730.db2.gz UUIZHDDXQTUSNO-UHFFFAOYSA-N 1 0 443.060 6.061 50 0 IKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@@H+](C[C@@H](C)O)[C@H](C)CC ZINC000230115390 569438350 /nfs/dbraw/zinc/43/83/50/569438350.db2.gz FMQIQCHCXLBRLV-WOJBJXKFSA-N 1 0 437.584 5.217 50 0 IKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C(C)C)cc21 ZINC000003047627 569438669 /nfs/dbraw/zinc/43/86/69/569438669.db2.gz DTDSVJHUGZHVRB-OAQYLSRUSA-N 1 0 431.580 5.248 50 0 IKAARO CC(=O)Nc1cc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1Sc1ccc(C)cc1 ZINC000003049179 569438935 /nfs/dbraw/zinc/43/89/35/569438935.db2.gz GEWYBYGUKNSINV-OALUTQOASA-N 1 0 439.625 5.097 50 0 IKAARO FC(F)Oc1ccc(-c2cn3c([n+]2-c2ccc(Br)cc2)CCCCC3)cc1 ZINC000003189082 569441434 /nfs/dbraw/zinc/44/14/34/569441434.db2.gz HAKQGEZOZFZHJR-UHFFFAOYSA-N 1 0 434.304 5.522 50 0 IKAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(N(c3ccccc3)c3ccccc3)cc2)N1 ZINC000003220022 569441894 /nfs/dbraw/zinc/44/18/94/569441894.db2.gz BOGYICUFQAUFAZ-VWLOTQADSA-N 1 0 430.515 5.602 50 0 IKAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCCC[NH2+]C3CCCCC3)cc12 ZINC000003280035 569443864 /nfs/dbraw/zinc/44/38/64/569443864.db2.gz WHJUAEYZBIDUHZ-UHFFFAOYSA-N 1 0 431.005 5.091 50 0 IKAARO CC[C@H]1CSc2n1cc(-c1ccc(OC(F)F)cc1)[n+]2-c1ccc(Cl)c(Cl)c1 ZINC000003298620 569444934 /nfs/dbraw/zinc/44/49/34/569444934.db2.gz JUSVIXPLXUCNOC-ZDUSSCGKSA-N 1 0 442.338 6.397 50 0 IKAARO Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000031079408 569453269 /nfs/dbraw/zinc/45/32/69/569453269.db2.gz SYQUWHQQWMGSEA-UHFFFAOYSA-N 1 0 439.559 5.238 50 0 IKAARO Cc1cc(C)c(NC(=S)N(CCC[N@H+]2CCC[C@H](C)C2)Cc2cccs2)c(C)c1 ZINC000003665576 569455995 /nfs/dbraw/zinc/45/59/95/569455995.db2.gz LSSRFMAFURQKJC-SFHVURJKSA-N 1 0 429.699 5.994 50 0 IKAARO Cc1ccc(NC(=S)N(CCC[NH+]2CCCCCC2)Cc2cccs2)cc1Cl ZINC000003662316 569456026 /nfs/dbraw/zinc/45/60/26/569456026.db2.gz OIWAJHBGWLCZQV-UHFFFAOYSA-N 1 0 436.090 6.175 50 0 IKAARO CO[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@]5(CN(C)C6(CC[NH+](C)CC6)O5)[C@@]4(C)CC[C@@H]32)C1 ZINC000004041066 569458365 /nfs/dbraw/zinc/45/83/65/569458365.db2.gz YKZPJVAZIXEHHB-QWZPYLIWSA-N 1 0 442.688 5.087 50 0 biogenic IKAARO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000004082366 569458697 /nfs/dbraw/zinc/45/86/97/569458697.db2.gz DCJVKINJRHKIHH-MFTSUCBKSA-N 1 0 429.645 5.386 50 0 biogenic IKAARO C[N@H+](CCN1C(=O)c2ccccc2C1=O)[C@@H]1c2ccccc2C=Cc2ccc(Cl)cc21 ZINC000008385771 569462662 /nfs/dbraw/zinc/46/26/62/569462662.db2.gz ZOLFQQCIFXIQCB-XMMPIXPASA-N 1 0 428.919 5.141 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccc(F)c2)[NH+]2CCCCC2)c1C ZINC000038545982 569463433 /nfs/dbraw/zinc/46/34/33/569463433.db2.gz YVRCOFUIPDORIY-NRFANRHFSA-N 1 0 428.598 6.393 50 0 IKAARO Cc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCC(C)CC2)cc1 ZINC000038546329 569463451 /nfs/dbraw/zinc/46/34/51/569463451.db2.gz PCFIGBWSSDNPKB-RUZDIDTESA-N 1 0 448.632 6.602 50 0 IKAARO CCc1cc([C@H](c2ccccc2OC)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546284 569463484 /nfs/dbraw/zinc/46/34/84/569463484.db2.gz RLBFAWBABXTTDL-QHCPKHFHSA-N 1 0 438.593 5.986 50 0 IKAARO CC1CC[NH+]([C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccncc2)CC1 ZINC000038546326 569463517 /nfs/dbraw/zinc/46/35/17/569463517.db2.gz FGWMFWPOFPLFDR-HSZRJFAPSA-N 1 0 435.593 5.689 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccnc2)[NH+]2CCC(C)CC2)c1C ZINC000038546710 569463655 /nfs/dbraw/zinc/46/36/55/569463655.db2.gz MCWYFPOHJLTHNK-NRFANRHFSA-N 1 0 425.623 5.895 50 0 IKAARO CC[NH+]1CCN([C@H](c2ccsc2)c2c(C)c(C)sc2NC(=O)c2cccs2)CC1 ZINC000038546803 569463683 /nfs/dbraw/zinc/46/36/83/569463683.db2.gz UZBBGMLYRAQXAY-HXUWFJFHSA-N 1 0 445.679 5.467 50 0 IKAARO CC[NH+]1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccccc2)CC1 ZINC000038546766 569463711 /nfs/dbraw/zinc/46/37/11/569463711.db2.gz ZAFIIJYPZMZJEH-JOCHJYFZSA-N 1 0 439.650 5.406 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1C ZINC000038546861 569463829 /nfs/dbraw/zinc/46/38/29/569463829.db2.gz SUBGCYMPBOKAON-HXUWFJFHSA-N 1 0 431.026 6.517 50 0 IKAARO CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(CCC[NH3+])c2ccccc12 ZINC000008453951 569465140 /nfs/dbraw/zinc/46/51/40/569465140.db2.gz NUOUZXZAZIQLCW-UHFFFAOYSA-N 1 0 440.587 6.376 50 0 IKAARO Clc1cccc(-c2nnn3c2nc(N2CC[NH+](C4CCCCC4)CC2)c2ccccc23)c1 ZINC000067262702 569466680 /nfs/dbraw/zinc/46/66/80/569466680.db2.gz AHQIEMWSMMHGEA-UHFFFAOYSA-N 1 0 446.986 5.053 50 0 IKAARO CSc1nc2c3c4c(c(-c5ccccc5)nc3sc2c(NCC[NH+](C)C)n1)CCC4 ZINC000008657511 569469735 /nfs/dbraw/zinc/46/97/35/569469735.db2.gz VTQQNUCWDWLTGH-UHFFFAOYSA-N 1 0 435.622 5.091 50 0 IKAARO COc1cc2c(cc1OC)[C@H](C)[N@H+](C[C@H]1C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@@H]31)CC2 ZINC000008763182 569474438 /nfs/dbraw/zinc/47/44/38/569474438.db2.gz MAZWREUQDXJNBZ-SWNKSKJGSA-N 1 0 439.596 5.081 50 0 biogenic IKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1 ZINC000008811453 569476604 /nfs/dbraw/zinc/47/66/04/569476604.db2.gz KRTXICMBRPRQKT-UHFFFAOYSA-N 1 0 441.641 5.347 50 0 IKAARO C[C@H]([NH2+]Cc1ccccc1OCc1c(Cl)cccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000008861291 569479991 /nfs/dbraw/zinc/47/99/91/569479991.db2.gz PIGJTNCWLHXXFJ-BALBBAFXSA-N 1 0 444.446 7.267 50 0 IKAARO Cc1noc(C)c1COc1ccc(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cc1 ZINC000040040623 569483530 /nfs/dbraw/zinc/48/35/30/569483530.db2.gz OYSVRMSJDGECBY-UHFFFAOYSA-N 1 0 447.579 5.887 50 0 IKAARO COc1ccc([C@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)[NH+]2CCCC2)cc1 ZINC000008916985 569485919 /nfs/dbraw/zinc/48/59/19/569485919.db2.gz MNSJONTYULENEM-IBGZPJMESA-N 1 0 428.985 5.439 50 0 IKAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 ZINC000008918491 569486261 /nfs/dbraw/zinc/48/62/61/569486261.db2.gz JVNVZTKUUYCRQT-YEWNMZNISA-N 1 0 432.608 5.758 50 0 biogenic IKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Cl)c4)o2)N3)C1 ZINC000008922875 569486954 /nfs/dbraw/zinc/48/69/54/569486954.db2.gz QAMZDHJBEHMXMD-HXUWFJFHSA-N 1 0 427.957 5.857 50 0 IKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)C[NH2+]C1CCCCC1 ZINC000008926145 569487233 /nfs/dbraw/zinc/48/72/33/569487233.db2.gz RCUPCYLSLFLHBU-SANMLTNESA-N 1 0 438.615 6.567 50 0 IKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Cl)c4Cl)o2)N3)C1 ZINC000008928038 569487358 /nfs/dbraw/zinc/48/73/58/569487358.db2.gz FBQHQKQSFUFZQW-IBGZPJMESA-N 1 0 448.375 6.122 50 0 IKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000008928014 569487367 /nfs/dbraw/zinc/48/73/67/569487367.db2.gz MCQJHOTVEWZZJM-IBGZPJMESA-N 1 0 447.482 5.834 50 0 IKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000008928015 569487385 /nfs/dbraw/zinc/48/73/85/569487385.db2.gz MCQJHOTVEWZZJM-LJQANCHMSA-N 1 0 447.482 5.834 50 0 IKAARO c1ccc(C2=NN(c3ccc(-c4sc5ccccc5[s+]4)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000008951166 569489806 /nfs/dbraw/zinc/48/98/06/569489806.db2.gz NVGHCIBPGRGAEE-RUZDIDTESA-N 1 0 449.624 8.267 50 0 IKAARO CCOc1cccc2cc(C(=O)N(CCC[NH+](C)C)c3nc4ccc(F)cc4s3)oc21 ZINC000008960157 569490415 /nfs/dbraw/zinc/49/04/15/569490415.db2.gz AVMGAINXTLAUJV-UHFFFAOYSA-N 1 0 441.528 5.179 50 0 IKAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Sc4ccccc4)cc3)=NN12 ZINC000009044412 569497964 /nfs/dbraw/zinc/49/79/64/569497964.db2.gz RYFKASGSSBNVOZ-RUZDIDTESA-N 1 0 441.600 5.803 50 0 IKAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Sc4ccccc4)cc3)=NN12 ZINC000009044409 569497977 /nfs/dbraw/zinc/49/79/77/569497977.db2.gz RYFKASGSSBNVOZ-VWLOTQADSA-N 1 0 441.600 5.803 50 0 IKAARO O=C(Nc1cccc2ccccc21)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000009056969 569499176 /nfs/dbraw/zinc/49/91/76/569499176.db2.gz FUXQFAXFDGBRMC-UHFFFAOYSA-N 1 0 434.583 6.547 50 0 IKAARO C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@H]2[NH2+]C[C@H](O)COc1ccccc1 ZINC000245232362 569500401 /nfs/dbraw/zinc/50/04/01/569500401.db2.gz ULILXULMDVDQAM-RFSKJLEKSA-N 1 0 425.657 5.817 50 0 IKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@H](C(=O)N[C@H]2CCCC[C@H]2C)C1 ZINC000245258142 569501692 /nfs/dbraw/zinc/50/16/92/569501692.db2.gz LAPRBDWKIGWNPR-PBEJRMEISA-N 1 0 429.992 5.210 50 0 IKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)CC ZINC000245279931 569502006 /nfs/dbraw/zinc/50/20/06/569502006.db2.gz KBCMZDMWWUAEON-CTNGQTDRSA-N 1 0 437.584 5.259 50 0 IKAARO Cc1ccc([C@@H]2C[N@H+](Cc3cccs3)C[C@H]2CN2CCN(c3ccccc3)CC2)cc1 ZINC000245280435 569502009 /nfs/dbraw/zinc/50/20/09/569502009.db2.gz QAVFCVZATIHAMQ-SQHAQQRYSA-N 1 0 431.649 5.094 50 0 IKAARO Cc1ccc([C@H]2C[N@H+](Cc3cccs3)C[C@H]2CN2CCN(c3ccccc3)CC2)cc1 ZINC000245280433 569502022 /nfs/dbraw/zinc/50/20/22/569502022.db2.gz QAVFCVZATIHAMQ-SHQCIBLASA-N 1 0 431.649 5.094 50 0 IKAARO CCCCC[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@]1(O)c1cccc(OC)c1 ZINC000245297207 569502453 /nfs/dbraw/zinc/50/24/53/569502453.db2.gz QFILAZDOFCAJFI-XAZDILKDSA-N 1 0 443.631 6.897 50 0 IKAARO COc1cccc(NC(=O)[C@@H]2C[C@@H](c3ccccc3)C[N@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000040424917 569502869 /nfs/dbraw/zinc/50/28/69/569502869.db2.gz DBPHXVFOYLMSPT-NHCUHLMSSA-N 1 0 436.502 5.218 50 0 IKAARO COc1cccc(NC(=O)[C@H]2C[C@H](c3ccccc3)C[N@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000040424915 569502875 /nfs/dbraw/zinc/50/28/75/569502875.db2.gz DBPHXVFOYLMSPT-SFTDATJTSA-N 1 0 436.502 5.218 50 0 IKAARO Cc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(Br)cc3s2)cc1C ZINC000009151892 569507661 /nfs/dbraw/zinc/50/76/61/569507661.db2.gz LZXXMJFCKYZGHD-UHFFFAOYSA-N 1 0 446.414 5.274 50 0 IKAARO C[NH+](C)CCCN(C(=O)c1cccc(Oc2ccccc2)c1)c1nc2c(cccc2F)s1 ZINC000009151916 569507696 /nfs/dbraw/zinc/50/76/96/569507696.db2.gz FRGQCCSRODLOLQ-UHFFFAOYSA-N 1 0 449.551 5.826 50 0 IKAARO Cc1oc2cc(OCC[NH+]3CCCCC3)ccc2c(=O)c1-c1ccc(Br)cc1 ZINC000009184326 569509939 /nfs/dbraw/zinc/50/99/39/569509939.db2.gz GRNQXFGCWATLDB-UHFFFAOYSA-N 1 0 442.353 5.396 50 0 IKAARO CCOc1ccc([C@](O)(c2ccccc2OC)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000009194871 569510963 /nfs/dbraw/zinc/51/09/63/569510963.db2.gz OUHVRNJOMYNWKA-PXJZQJOASA-N 1 0 445.603 5.600 50 0 IKAARO CCOc1ccc([C@@](O)(c2ccc(C)cc2)[C@H](C[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000009195338 569510986 /nfs/dbraw/zinc/51/09/86/569510986.db2.gz JNAOVDHNGJVKKI-IHLOFXLRSA-N 1 0 443.631 6.289 50 0 IKAARO Cc1ccc(-n2ncc(C(=O)Nc3cc(Cl)ccc3Cl)c2C2CC[NH2+]CC2)cc1C ZINC000009227228 569513344 /nfs/dbraw/zinc/51/33/44/569513344.db2.gz BNZVSBHXHZZBGI-UHFFFAOYSA-N 1 0 443.378 5.515 50 0 IKAARO Cc1ccc(-n2ncc(C(=O)Nc3cc(Cl)ccc3C)c2C2CC[NH2+]CC2)cc1Cl ZINC000009227327 569513381 /nfs/dbraw/zinc/51/33/81/569513381.db2.gz FWZWJXNUDIHOOX-UHFFFAOYSA-N 1 0 443.378 5.515 50 0 IKAARO CC(C)Cn1cc(NC(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)c2ccccc2c1=O ZINC000009227558 569513456 /nfs/dbraw/zinc/51/34/56/569513456.db2.gz RKKPYFPSOQIZFE-UHFFFAOYSA-N 1 0 446.595 5.533 50 0 IKAARO CCCC[N@H+](CCCNc1nc(C)nc2oc(C)c(C(=O)OCC)c21)Cc1ccccc1 ZINC000009227691 569513463 /nfs/dbraw/zinc/51/34/63/569513463.db2.gz KVRSIFCFWPKUHL-UHFFFAOYSA-N 1 0 438.572 5.121 50 0 IKAARO Cc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000009265288 569517331 /nfs/dbraw/zinc/51/73/31/569517331.db2.gz AYAJOQSDXWTAJV-UHFFFAOYSA-N 1 0 445.563 5.084 50 0 IKAARO Cc1ccc2c(c1)[nH]c(C(=O)NCC[N@H+]1CCCC[C@@H]1C)c2Sc1ccc(Cl)cc1 ZINC000009288286 569519384 /nfs/dbraw/zinc/51/93/84/569519384.db2.gz WJEVSNKSXSTWMO-KRWDZBQOSA-N 1 0 442.028 5.885 50 0 IKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]c2cc(OC)ccc2c1Sc1ccc(Cl)cc1 ZINC000009288593 569519443 /nfs/dbraw/zinc/51/94/43/569519443.db2.gz LIUXJLQNEGZXCT-MRXNPFEDSA-N 1 0 444.000 5.195 50 0 IKAARO COc1ccc2c(c1)[nH]c(C(=O)NCC[NH+]1CCCCCC1)c2Sc1ccc(C)cc1 ZINC000009288479 569519455 /nfs/dbraw/zinc/51/94/55/569519455.db2.gz HFUJHJFLLUWFCL-UHFFFAOYSA-N 1 0 437.609 5.242 50 0 IKAARO CSc1nc2c(sc3nc(-c4ccco4)c4c(c32)CCC4)c(NCCC[NH+](C)C)n1 ZINC000009307093 569521392 /nfs/dbraw/zinc/52/13/92/569521392.db2.gz GSHFJYWBVPNQRQ-UHFFFAOYSA-N 1 0 439.610 5.074 50 0 IKAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3SCc3cccs3)cc2)CC1 ZINC000009322104 569522634 /nfs/dbraw/zinc/52/26/34/569522634.db2.gz UPQOYCSVETVNBJ-UHFFFAOYSA-N 1 0 437.634 5.435 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009332337 569523088 /nfs/dbraw/zinc/52/30/88/569523088.db2.gz RXUKIKMBSHAQDO-OAQYLSRUSA-N 1 0 427.495 5.034 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009332335 569523136 /nfs/dbraw/zinc/52/31/36/569523136.db2.gz RXUKIKMBSHAQDO-NRFANRHFSA-N 1 0 427.495 5.034 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000009358495 569525590 /nfs/dbraw/zinc/52/55/90/569525590.db2.gz ODJVINQUELVSDC-OAQYLSRUSA-N 1 0 430.379 5.739 50 0 IKAARO Cc1ccc(C)c(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)c1 ZINC000009379799 569527750 /nfs/dbraw/zinc/52/77/50/569527750.db2.gz KDUQOUQTGSJVOE-MHZLTWQESA-N 1 0 437.587 5.839 50 0 IKAARO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1Cc1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000009387089 569528425 /nfs/dbraw/zinc/52/84/25/569528425.db2.gz DURMWSIALPGTGF-NDEPHWFRSA-N 1 0 444.575 5.364 50 0 IKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)C1 ZINC000009407757 569530278 /nfs/dbraw/zinc/53/02/78/569530278.db2.gz OFLULEUWPLMYHX-GASCZTMLSA-N 1 0 435.058 5.772 50 0 IKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000009407755 569530283 /nfs/dbraw/zinc/53/02/83/569530283.db2.gz YXMFSDIJHOBIGB-QGZVFWFLSA-N 1 0 435.058 6.059 50 0 IKAARO CCCOc1ccc([C@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000009408685 569530673 /nfs/dbraw/zinc/53/06/73/569530673.db2.gz OQEZKQAKWQIXTK-XZWHSSHBSA-N 1 0 443.631 6.175 50 0 IKAARO CSc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CCC4)c(NCCCC[NH3+])n1 ZINC000009488421 569539892 /nfs/dbraw/zinc/53/98/92/569539892.db2.gz JUYWAFIAWBDGQH-UHFFFAOYSA-N 1 0 435.622 5.268 50 0 IKAARO COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)cc1 ZINC000009489472 569540011 /nfs/dbraw/zinc/54/00/11/569540011.db2.gz LRMCRWGIYVPYMQ-QHCPKHFHSA-N 1 0 438.593 6.040 50 0 IKAARO Fc1ccccc1C1=NN2[C@@H](C1)c1ccccc1OC21CC[NH+](Cc2ccccc2)CC1 ZINC000009499567 569541508 /nfs/dbraw/zinc/54/15/08/569541508.db2.gz PFFNAZSUHQSING-VWLOTQADSA-N 1 0 427.523 5.362 50 0 IKAARO Cc1ccc(C)c(NC(=O)[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2)c1 ZINC000009516070 569543381 /nfs/dbraw/zinc/54/33/81/569543381.db2.gz IDYCCDJTDBRBRE-NDEPHWFRSA-N 1 0 441.619 5.759 50 0 IKAARO COc1ccc(-c2nc3ccccc3c(Nc3ccc(C[NH+]4CCC(C)CC4)cc3)n2)cc1 ZINC000009527066 569544634 /nfs/dbraw/zinc/54/46/34/569544634.db2.gz HMCCZRDYYVOKKO-UHFFFAOYSA-N 1 0 438.575 6.281 50 0 IKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000009598066 569551025 /nfs/dbraw/zinc/55/10/25/569551025.db2.gz FMFKCEWDCGNEPJ-INIZCTEOSA-N 1 0 428.001 5.611 50 0 IKAARO CCC1=Nc2cc(C(=O)NCCC[N@H+]3[C@H](C)CCC[C@@H]3C)ccc2Sc2ccccc21 ZINC000009607901 569552018 /nfs/dbraw/zinc/55/20/18/569552018.db2.gz ZUBQBLXSCZGTHS-KDURUIRLSA-N 1 0 435.637 6.065 50 0 IKAARO CCCC1=Nc2cc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)ccc2Sc2ccccc21 ZINC000009607974 569552108 /nfs/dbraw/zinc/55/21/08/569552108.db2.gz JOLZMWATANAICC-BGYRXZFFSA-N 1 0 449.664 6.170 50 0 IKAARO CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)c2cccnc2)cc1F ZINC000009671270 569558527 /nfs/dbraw/zinc/55/85/27/569558527.db2.gz GZCLNJANINAVPK-FQEVSTJZSA-N 1 0 444.554 6.103 50 0 IKAARO CCCC[N@H+](C)CCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc21 ZINC000009673351 569558911 /nfs/dbraw/zinc/55/89/11/569558911.db2.gz CXGSFPPGEVHLGN-UHFFFAOYSA-N 1 0 446.414 5.188 50 0 IKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Nc2ccc(OC)cc2)nc2ccccc21 ZINC000009680573 569560146 /nfs/dbraw/zinc/56/01/46/569560146.db2.gz XSNNPFOESFICMB-NRFANRHFSA-N 1 0 446.595 5.371 50 0 IKAARO COc1ccccc1Nc1cc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c2ccccc2n1 ZINC000009680923 569560184 /nfs/dbraw/zinc/56/01/84/569560184.db2.gz ZPMZNLDPMGLKBM-WOJBJXKFSA-N 1 0 446.595 5.085 50 0 IKAARO CCOc1ccc(-c2c[nH+]c(NCc3cccc(Oc4ccccc4)c3)n2CCOC)cc1 ZINC000009720788 569563339 /nfs/dbraw/zinc/56/33/39/569563339.db2.gz LNHDOLBQOJXCQX-UHFFFAOYSA-N 1 0 443.547 6.000 50 0 IKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 ZINC000009722296 569563411 /nfs/dbraw/zinc/56/34/11/569563411.db2.gz VPTDMYDSPHSFRE-GOSISDBHSA-N 1 0 445.032 5.340 50 0 IKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@@H](C(=O)NC2CCCCCCC2)C1 ZINC000009731903 569564713 /nfs/dbraw/zinc/56/47/13/569564713.db2.gz SBCZBRCZJVOMFS-HXUWFJFHSA-N 1 0 444.019 5.745 50 0 IKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@H](C(=O)NC2CCCCCCC2)C1 ZINC000009731902 569564762 /nfs/dbraw/zinc/56/47/62/569564762.db2.gz SBCZBRCZJVOMFS-FQEVSTJZSA-N 1 0 444.019 5.745 50 0 IKAARO Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1ccc(OCc2ccccc2)cc1 ZINC000009805731 569568786 /nfs/dbraw/zinc/56/87/86/569568786.db2.gz GLNCSXAXGWUCBX-UHFFFAOYSA-N 1 0 448.364 6.041 50 0 IKAARO COc1ccc2c(Cl)c(C(=O)NCc3ccccc3C[NH+]3CCCC3)sc2c1Cl ZINC000009816992 569569300 /nfs/dbraw/zinc/56/93/00/569569300.db2.gz SFQYZGNBUHYRJK-UHFFFAOYSA-N 1 0 449.403 5.743 50 0 IKAARO CCCCn1c(-c2ccc(OCC)cc2)c[nH+]c1NCc1ccc(Br)cc1 ZINC000009846068 569570953 /nfs/dbraw/zinc/57/09/53/569570953.db2.gz ZVKLFXFCBYJUEQ-UHFFFAOYSA-N 1 0 428.374 6.124 50 0 IKAARO Cc1nc(Nc2ccc(C)cc2C)sc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000071326665 569574922 /nfs/dbraw/zinc/57/49/22/569574922.db2.gz QZFKDPJPTUGMPC-UHFFFAOYSA-N 1 0 434.609 5.206 50 0 IKAARO [NH2+]=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000009969174 569576052 /nfs/dbraw/zinc/57/60/52/569576052.db2.gz FDQPHLBPPZHPHW-UHFFFAOYSA-N 1 0 428.319 5.170 50 0 IKAARO FC(F)(F)c1cccc(N2CC[NH+](CCCCOc3cccc4ccccc43)CC2)c1 ZINC000001820466 132247023 /nfs/dbraw/zinc/24/70/23/132247023.db2.gz RUKLWGFXRMBBEU-UHFFFAOYSA-N 1 0 428.498 5.840 50 0 IKAARO Cc1cc(C[N@@H+](C)C2CCN(c3cccc(NC(=O)CCCc4ccccc4)c3)CC2)on1 ZINC000011785788 132339666 /nfs/dbraw/zinc/33/96/66/132339666.db2.gz IRAJAMXFFZBAOC-UHFFFAOYSA-N 1 0 446.595 5.045 50 0 IKAARO C/C(=C\c1ccccc1)C[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 ZINC000012714844 518445278 /nfs/dbraw/zinc/44/52/78/518445278.db2.gz TWGUSLLFGSUERC-HTXNQAPBSA-N 1 0 434.971 5.529 50 0 IKAARO CC(C)/C=C/C[NH+]1CCC([C@H](Cc2ccccc2)N(C(=O)c2ccccn2)C2CC2)CC1 ZINC000012325844 519387219 /nfs/dbraw/zinc/38/72/19/519387219.db2.gz NVPBNPOYZCMOEX-FLXGOCGUSA-N 1 0 431.624 5.222 50 0 IKAARO CC(C)CC[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000035843762 519652280 /nfs/dbraw/zinc/65/22/80/519652280.db2.gz DJGJLHYKSOIVQF-UHFFFAOYSA-N 1 0 432.505 6.743 50 0 IKAARO CC(C)CCOc1ccc([C@@](O)(CC(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020443732 519675077 /nfs/dbraw/zinc/67/50/77/519675077.db2.gz LDZKPOPKPQCWMN-NSOVKSMOSA-N 1 0 439.640 5.461 50 0 IKAARO CC(C)C[N@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cccc(Cl)c1 ZINC000035843632 519710054 /nfs/dbraw/zinc/71/00/54/519710054.db2.gz WSNJYSVQGKNNAY-QFIPXVFZSA-N 1 0 437.436 5.726 50 0 IKAARO CC(C)Oc1ccc(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)cc1 ZINC000012588697 519779138 /nfs/dbraw/zinc/77/91/38/519779138.db2.gz BYPJMAQFOPNLAE-UHFFFAOYSA-N 1 0 436.596 5.143 50 0 IKAARO CC(C)[C@H](C)[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1 ZINC000035844682 519812012 /nfs/dbraw/zinc/81/20/12/519812012.db2.gz QYZNZAVEHHRWEK-IBGZPJMESA-N 1 0 432.505 6.741 50 0 IKAARO CC(C)[C@H](C)[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000035843774 519812028 /nfs/dbraw/zinc/81/20/28/519812028.db2.gz SIEDQHRHFKMDRW-IBGZPJMESA-N 1 0 432.505 6.741 50 0 IKAARO CCCCCC[C@@]1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000245310378 520125645 /nfs/dbraw/zinc/12/56/45/520125645.db2.gz IOJSASXMHFMQDT-DGEYCZFQSA-N 1 0 434.451 7.353 50 0 IKAARO CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCC[NH+]1CCCCC1 ZINC000012659316 520315434 /nfs/dbraw/zinc/31/54/34/520315434.db2.gz KJCYWBYEGKONIB-NULLENPVSA-N 1 0 448.692 5.022 50 0 biogenic IKAARO CCCCCc1ccc(OCCOCC[n+]2cn(C)c3ccccc32)c(CCCCC)c1 ZINC000015961130 520325404 /nfs/dbraw/zinc/32/54/04/520325404.db2.gz STZGXWGAWPGTEZ-UHFFFAOYSA-N 1 0 437.648 6.027 50 0 IKAARO CCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1cccc(OC)c1 ZINC000035843639 520442275 /nfs/dbraw/zinc/44/22/75/520442275.db2.gz HBOZQAPMYPGAFZ-HSZRJFAPSA-N 1 0 433.017 5.225 50 0 IKAARO CCN(CC)C(=O)C1CC[NH+](Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)CC1 ZINC000012576875 520443402 /nfs/dbraw/zinc/44/34/02/520443402.db2.gz LKZUICJXMYMRPF-UHFFFAOYSA-N 1 0 436.644 5.215 50 0 IKAARO CC1(C)C[C@H]([NH2+]C2CCN(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)CC2)CCO1 ZINC000012247646 520554222 /nfs/dbraw/zinc/55/42/22/520554222.db2.gz UPENHNWTRDCTCQ-JOCHJYFZSA-N 1 0 442.003 5.108 50 0 IKAARO CC[NH+](CC)CCN(C(=O)c1cccs1)c1nc2ccc(Br)cc2s1 ZINC000012140844 520640050 /nfs/dbraw/zinc/64/00/50/520640050.db2.gz IXLNKBMZRYXBFW-UHFFFAOYSA-N 1 0 438.416 5.109 50 0 IKAARO CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]C1CCN(c3cccc(NC(=O)c4cccnc4)c3)CC1)=CC2 ZINC000014886803 520645542 /nfs/dbraw/zinc/64/55/42/520645542.db2.gz JCDWNHYCDZRUOH-NVQXNPDNSA-N 1 0 444.623 5.275 50 0 IKAARO CCOc1cc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)ccc1O ZINC000012471596 520697935 /nfs/dbraw/zinc/69/79/35/520697935.db2.gz AIZZAZAUVFBYCQ-UHFFFAOYSA-N 1 0 448.538 5.448 50 0 IKAARO CCOc1cc(C[NH2+][C@@H](CC)CO)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016611384 520728445 /nfs/dbraw/zinc/72/84/45/520728445.db2.gz JZERZUJBCMDERO-INIZCTEOSA-N 1 0 432.775 5.485 50 0 IKAARO CCOc1cc([C@@H]2[NH2+]C[C@@H](c3ccc(OC)cc3)c3c4ccccc4[nH]c32)ccc1OC ZINC000012683079 520776102 /nfs/dbraw/zinc/77/61/02/520776102.db2.gz WGCZLEVZAYUPRK-LVXARBLLSA-N 1 0 428.532 5.408 50 0 IKAARO CCOc1cc([C@H]2[NH2+]C[C@H](c3ccc(OC)cc3)c3c4ccccc4[nH]c32)ccc1OC ZINC000012683095 520786266 /nfs/dbraw/zinc/78/62/66/520786266.db2.gz WGCZLEVZAYUPRK-QFQXNSOFSA-N 1 0 428.532 5.408 50 0 IKAARO CCOc1ccc(-n2c3c(c(S[C@@H]([NH3+])c4cccc5ccccc54)nc2=O)CCC3)cc1 ZINC000015840508 520836870 /nfs/dbraw/zinc/83/68/70/520836870.db2.gz OKHVVBCGJPWCON-XMMPIXPASA-N 1 0 443.572 5.023 50 0 IKAARO CC[NH+](CC)[C@H](CNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C)c1ccccc1 ZINC000012901003 520865497 /nfs/dbraw/zinc/86/54/97/520865497.db2.gz ORHYIZVMEWGFDI-HSZRJFAPSA-N 1 0 439.003 5.015 50 0 IKAARO CC[N@H+](CCC[NH2+]Cc1c(C)n(Cc2cccc(C)c2)c(C)c1C(=O)[O-])Cc1ccccc1 ZINC000021024289 521021748 /nfs/dbraw/zinc/02/17/48/521021748.db2.gz SRHLSTLBHNPRPZ-UHFFFAOYSA-N 1 0 447.623 5.162 50 0 IKAARO CCOc1ccc(NC(=O)N(Cc2ccco2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020532278 521080381 /nfs/dbraw/zinc/08/03/81/521080381.db2.gz FLKOLZQVVNPQIU-UHFFFAOYSA-N 1 0 433.552 5.377 50 0 IKAARO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(Br)ccc23)cc1 ZINC000012758571 521273626 /nfs/dbraw/zinc/27/36/26/521273626.db2.gz VKGCMIGCTQKSNJ-HXUWFJFHSA-N 1 0 428.326 5.291 50 0 IKAARO CCCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccccc3OC)ccc21 ZINC000020594986 521360784 /nfs/dbraw/zinc/36/07/84/521360784.db2.gz WAOWWXRSRYLHSY-UHFFFAOYSA-N 1 0 434.584 5.473 50 0 IKAARO CCCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000020594964 521361074 /nfs/dbraw/zinc/36/10/74/521361074.db2.gz CQMMAGOFKDLVJQ-UHFFFAOYSA-N 1 0 434.584 5.230 50 0 IKAARO CCOc1ccccc1NC(=O)N[C@@H](C)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532237 521542366 /nfs/dbraw/zinc/54/23/66/521542366.db2.gz OLRSLZDVNOEKEX-KRWDZBQOSA-N 1 0 438.597 5.198 50 0 IKAARO CCCc1ncc(C[NH+]2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)cn1 ZINC000012594492 521555859 /nfs/dbraw/zinc/55/58/59/521555859.db2.gz MYOAZMZHSZCAHV-UHFFFAOYSA-N 1 0 428.580 5.255 50 0 IKAARO CCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268854 521682721 /nfs/dbraw/zinc/68/27/21/521682721.db2.gz OTLSDUSKPLUFOT-UHFFFAOYSA-N 1 0 431.605 5.959 50 0 IKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000020532232 521724650 /nfs/dbraw/zinc/72/46/50/521724650.db2.gz CCUPFMAHCHKYGW-INIZCTEOSA-N 1 0 443.016 5.761 50 0 IKAARO CCc1cccc2c([C@@H](CC(=O)NCC[NH+]3CCCCC3)c3ccc(Cl)cc3)c[nH]c21 ZINC000035888689 521793272 /nfs/dbraw/zinc/79/32/72/521793272.db2.gz KAIUPZWRQBWNLA-QHCPKHFHSA-N 1 0 438.015 5.508 50 0 IKAARO CCc1cccc2c([C@H](CC(=O)NCC[NH+]3CCCCC3)c3ccc(Cl)cc3)c[nH]c21 ZINC000035888691 521795459 /nfs/dbraw/zinc/79/54/59/521795459.db2.gz KAIUPZWRQBWNLA-HSZRJFAPSA-N 1 0 438.015 5.508 50 0 IKAARO C[NH+](C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NCC1CCCCC1 ZINC000012457123 521888143 /nfs/dbraw/zinc/88/81/43/521888143.db2.gz BXCYNZQAWIKIHA-UHFFFAOYSA-N 1 0 437.609 5.100 50 0 IKAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012054445 521890198 /nfs/dbraw/zinc/89/01/98/521890198.db2.gz OGJFDNHCWIYUKY-UHFFFAOYSA-N 1 0 442.481 5.129 50 0 IKAARO CCc1ccccc1NC(=O)N[C@@H](CC)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532220 521894907 /nfs/dbraw/zinc/89/49/07/521894907.db2.gz NKSJGPDKTSTGIF-FQEVSTJZSA-N 1 0 436.625 5.752 50 0 IKAARO CC[C@H](C)c1nc2sc3c(c2c(N2CCC([NH+]4CCCCC4)CC2)n1)CCCCC3 ZINC000035892995 522056879 /nfs/dbraw/zinc/05/68/79/522056879.db2.gz VHGGHHLNKMXECJ-SFHVURJKSA-N 1 0 426.674 5.928 50 0 IKAARO CCc1nc(C)c(C[NH+]2CCC(C(=O)Nc3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)[nH]1 ZINC000012198763 522200869 /nfs/dbraw/zinc/20/08/69/522200869.db2.gz YYZSZKMAHPRJRA-UHFFFAOYSA-N 1 0 441.579 5.280 50 0 IKAARO COc1cc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)ccc1O ZINC000012297379 522365243 /nfs/dbraw/zinc/36/52/43/522365243.db2.gz AISJQVYQQUGTRU-UHFFFAOYSA-N 1 0 434.511 5.058 50 0 IKAARO CC[C@H](NC(=O)Nc1cc(C)ccc1OC)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532136 522479341 /nfs/dbraw/zinc/47/93/41/522479341.db2.gz DREZEMPBIMAHSG-SFHVURJKSA-N 1 0 438.597 5.117 50 0 IKAARO CC[C@H](NC(=O)Nc1ccc(C)c(C)c1)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532214 522482766 /nfs/dbraw/zinc/48/27/66/522482766.db2.gz VAJHUHSCASZJAK-NRFANRHFSA-N 1 0 436.625 5.806 50 0 IKAARO COc1cc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)cc(Cl)c1O ZINC000012745521 522485817 /nfs/dbraw/zinc/48/58/17/522485817.db2.gz VXRNKNAHEQFIOZ-IBGZPJMESA-N 1 0 425.960 5.352 50 0 IKAARO CC[C@@H](NC(=O)Nc1cc(C)cc(C)c1)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532215 522746422 /nfs/dbraw/zinc/74/64/22/522746422.db2.gz SODQEQCBYPCMJR-OAQYLSRUSA-N 1 0 436.625 5.806 50 0 IKAARO CCc1noc(C)c1C(=O)N(CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1 ZINC000011840813 522824667 /nfs/dbraw/zinc/82/46/67/522824667.db2.gz WADCWZFSFHKRTN-UHFFFAOYSA-N 1 0 437.628 5.193 50 0 IKAARO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc(OC)c1OC ZINC000035889813 522934723 /nfs/dbraw/zinc/93/47/23/522934723.db2.gz FHCDSSAQYVTDRX-NIDLKEISSA-N 1 0 445.987 5.234 50 0 biogenic,in-vitro IKAARO COc1cc2c(cc1OC)[C@H](C)[N@H+](C[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@H]13)CC2 ZINC000012659961 523046300 /nfs/dbraw/zinc/04/63/00/523046300.db2.gz MAZWREUQDXJNBZ-NJYVRSLCSA-N 1 0 439.596 5.081 50 0 biogenic IKAARO COc1cc2nc(-c3ccccc3)c(C[NH2+]C[C@@H](C)c3ccccc3)cc2c(OC)c1OC ZINC000015072558 523061089 /nfs/dbraw/zinc/06/10/89/523061089.db2.gz ZDAQZOBKWXGGIR-LJQANCHMSA-N 1 0 442.559 5.821 50 0 IKAARO CN(C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccc(F)cc1F ZINC000012431334 523117074 /nfs/dbraw/zinc/11/70/74/523117074.db2.gz QSEVFXAUNZZTSA-QGZVFWFLSA-N 1 0 440.456 5.010 50 0 IKAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000012570419 523140760 /nfs/dbraw/zinc/14/07/60/523140760.db2.gz SIXFFCZHJUWMHA-QFIPXVFZSA-N 1 0 430.548 5.222 50 0 IKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 ZINC000035560153 523169209 /nfs/dbraw/zinc/16/92/09/523169209.db2.gz BNZCKVNWAGYWHR-HSZRJFAPSA-N 1 0 439.003 5.122 50 0 IKAARO COc1ccc(-c2csc3ncnc(NC4CC[NH+](Cc5ccccc5)CC4)c23)cc1 ZINC000021643174 523172336 /nfs/dbraw/zinc/17/23/36/523172336.db2.gz RPPZLNBZJYAVRP-UHFFFAOYSA-N 1 0 430.577 5.443 50 0 IKAARO CCn1c(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccc(OC)cc3C)C2)nc2ccccc21 ZINC000012445664 523190512 /nfs/dbraw/zinc/19/05/12/523190512.db2.gz MROKJOYTZMXCET-HXUWFJFHSA-N 1 0 434.584 5.004 50 0 IKAARO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CCc3cccc(O)c3)c(C)o2)c(OC)c1 ZINC000012709968 523199485 /nfs/dbraw/zinc/19/94/85/523199485.db2.gz PNKDCRNZSGLRER-FQEVSTJZSA-N 1 0 436.552 5.360 50 0 IKAARO COc1ccc(-c2nc(C[NH+]3CCC4(C=Cc5ccccc54)CC3)c(C)o2)c(OC)c1C ZINC000012315318 523200203 /nfs/dbraw/zinc/20/02/03/523200203.db2.gz FDUDNLGZHODKKA-UHFFFAOYSA-N 1 0 430.548 5.536 50 0 IKAARO COc1ccc(-n2cc(C[NH2+][C@@H]3CCOC(C)(C)C3)c(-c3ccccc3Cl)n2)cc1 ZINC000012298955 523329618 /nfs/dbraw/zinc/32/96/18/523329618.db2.gz BDBPMAOPEIXVLB-GOSISDBHSA-N 1 0 425.960 5.249 50 0 IKAARO C[N@H+](Cc1ccsc1)Cc1cc2ccc(F)cc2n(CCSc2ccccc2)c1=O ZINC000012099368 523484208 /nfs/dbraw/zinc/48/42/08/523484208.db2.gz CYEUUIDLCQDDQP-UHFFFAOYSA-N 1 0 438.593 5.626 50 0 IKAARO COc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)cc1C ZINC000012586646 523603067 /nfs/dbraw/zinc/60/30/67/523603067.db2.gz WXGKIFDVAHFHLP-HXUWFJFHSA-N 1 0 448.529 5.049 50 0 IKAARO COc1ccc(CC/[NH+]=c2\ssc3c2-c2cc(C)ccc2NC3(C)C)cc1OC ZINC000012462548 523913771 /nfs/dbraw/zinc/91/37/71/523913771.db2.gz MDXZDMQEOBRONC-GYHWCHFESA-N 1 0 426.607 5.606 50 0 IKAARO CC[C@H](C)[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000035844780 523924286 /nfs/dbraw/zinc/92/42/86/523924286.db2.gz SGWHWGOHZZQKJE-NRFANRHFSA-N 1 0 436.571 5.599 50 0 IKAARO COc1ccc(CCC2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000012745535 523928087 /nfs/dbraw/zinc/92/80/87/523928087.db2.gz FOMWAYZJPFJMOI-KRWDZBQOSA-N 1 0 434.502 5.386 50 0 IKAARO COc1ccc(C[N@@H+](Cc2cccn2Cc2cccc(OC)c2)CC2CCCCC2)cc1 ZINC000035841144 524014463 /nfs/dbraw/zinc/01/44/63/524014463.db2.gz CAQGSKTYISXCOM-UHFFFAOYSA-N 1 0 432.608 6.136 50 0 IKAARO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)cc1O ZINC000020781932 524023535 /nfs/dbraw/zinc/02/35/35/524023535.db2.gz RMAMZZMTQZUQTK-UHFFFAOYSA-N 1 0 430.548 5.227 50 0 IKAARO COc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)cc1C ZINC000012437693 524027788 /nfs/dbraw/zinc/02/77/88/524027788.db2.gz UEBKEODAAMTWSQ-SFHVURJKSA-N 1 0 430.976 5.297 50 0 IKAARO COc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)cc1C ZINC000012437695 524029413 /nfs/dbraw/zinc/02/94/13/524029413.db2.gz UEBKEODAAMTWSQ-GOSISDBHSA-N 1 0 430.976 5.297 50 0 IKAARO CCc1ccc([C@H](CNC(=O)c2ccc(SCc3csc(C)n3)cc2)[NH+](C)C)cc1 ZINC000022684777 524048856 /nfs/dbraw/zinc/04/88/56/524048856.db2.gz NVGGMDNQTXAFDG-QHCPKHFHSA-N 1 0 439.650 5.339 50 0 IKAARO C[NH+](C)CCCN(C(=O)CSc1ccc(Cl)cc1)c1nc2c(cccc2F)s1 ZINC000012342182 524053585 /nfs/dbraw/zinc/05/35/85/524053585.db2.gz OKUALXCXSVNPCJ-UHFFFAOYSA-N 1 0 437.993 5.166 50 0 IKAARO C[NH+](C)CCCN(C(=O)C(c1ccccc1)c1ccccc1)c1nc2ccc(F)cc2s1 ZINC000012140927 524053610 /nfs/dbraw/zinc/05/36/10/524053610.db2.gz KAFKEXDCFKDXMT-UHFFFAOYSA-N 1 0 447.579 5.552 50 0 IKAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)Nc3ccccc3-c3ccccc3)CC2)c1 ZINC000021175480 524100905 /nfs/dbraw/zinc/10/09/05/524100905.db2.gz MOBYQZWCKRTVQB-UHFFFAOYSA-N 1 0 427.592 6.004 50 0 IKAARO Cc1cccc(-c2nc3c(C)cccc3cc2CN(CC[NH+](C)C)C(=O)c2ccco2)c1 ZINC000012151947 524120711 /nfs/dbraw/zinc/12/07/11/524120711.db2.gz DVQHSOGVWUEEQV-UHFFFAOYSA-N 1 0 427.548 5.316 50 0 IKAARO Cc1cccc(-c2nnc([C@@H](C)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)o2)c1 ZINC000022785833 524128135 /nfs/dbraw/zinc/12/81/35/524128135.db2.gz WBRKATGJDMEAJQ-JOCHJYFZSA-N 1 0 438.575 5.513 50 0 IKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+](Cc4ccccc4)Cc4ccccc4)[C@H]3C=C12 ZINC000012876822 524227187 /nfs/dbraw/zinc/22/71/87/524227187.db2.gz OESKVACCFMXCQV-ISMLOJEYSA-N 1 0 429.604 6.003 50 0 biogenic IKAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(-c4ccccc4)cc3)nc21 ZINC000012140969 524261077 /nfs/dbraw/zinc/26/10/77/524261077.db2.gz BIBVWNDBQIFXPX-UHFFFAOYSA-N 1 0 445.588 5.570 50 0 IKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000015680958 524279867 /nfs/dbraw/zinc/27/98/67/524279867.db2.gz PSIOWHLSELWHAC-RTBURBONSA-N 1 0 443.035 5.313 50 0 IKAARO Cc1ccc(C[N@H+](Cc2cccn2Cc2cccc(C(F)(F)F)c2)Cc2ccccc2)cc1 ZINC000035841167 524420787 /nfs/dbraw/zinc/42/07/87/524420787.db2.gz ACXGDFVIQTWDOZ-UHFFFAOYSA-N 1 0 448.532 7.066 50 0 IKAARO C[C@H]1CCc2c(sc3c2CSC(C(=O)NC2CC[NH+](Cc4ccccc4)CC2)=C3)C1 ZINC000020557731 524437576 /nfs/dbraw/zinc/43/75/76/524437576.db2.gz ZPZSYHIUHSOEAC-KRWDZBQOSA-N 1 0 438.662 5.241 50 0 IKAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2ccc3ccccc3n2)CC1 ZINC000012303578 524446743 /nfs/dbraw/zinc/44/67/43/524446743.db2.gz AJDQDOVLQNRDFD-UHFFFAOYSA-N 1 0 445.607 5.254 50 0 IKAARO COc1ccc(NC(=O)CCC2CC[NH+](Cc3ccc4ccccc4c3)CC2)c(OC)c1 ZINC000012206411 524475952 /nfs/dbraw/zinc/47/59/52/524475952.db2.gz KTKWUSFNFKKVLS-UHFFFAOYSA-N 1 0 432.564 5.488 50 0 IKAARO COc1ccccc1NC(=O)N(Cc1cccc(C)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000035686858 524608440 /nfs/dbraw/zinc/60/84/40/524608440.db2.gz VBDGBSNHGGYMTC-UHFFFAOYSA-N 1 0 444.579 5.097 50 0 IKAARO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 ZINC000012466984 524617410 /nfs/dbraw/zinc/61/74/10/524617410.db2.gz VSSAWZXMDKCSPQ-FPOVZHCZSA-N 1 0 449.599 5.165 50 0 IKAARO C[C@@H](CNC(=O)c1cccs1)Oc1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000012218674 524726037 /nfs/dbraw/zinc/72/60/37/524726037.db2.gz BMEZXGRCYRSANH-FQEVSTJZSA-N 1 0 434.605 5.325 50 0 IKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCCC(C)C)CC3)cc3ccccc32)cc1 ZINC000021116248 524766030 /nfs/dbraw/zinc/76/60/30/524766030.db2.gz XXTQXSBZVMBPFH-UHFFFAOYSA-N 1 0 431.624 5.372 50 0 IKAARO Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(C[NH+]3CCCC3)s2)n1 ZINC000020454369 524899302 /nfs/dbraw/zinc/89/93/02/524899302.db2.gz HLGPKDZZTCJXGI-MHZLTWQESA-N 1 0 442.632 5.676 50 0 IKAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)CCc2cccnc2)C2CCCC2)CC1 ZINC000012300409 525109245 /nfs/dbraw/zinc/10/92/45/525109245.db2.gz FYITUDFOELKMIS-UHFFFAOYSA-N 1 0 433.640 5.049 50 0 IKAARO Cc1ccc(NC(=O)N(Cc2ccco2)C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000020532276 525115352 /nfs/dbraw/zinc/11/53/52/525115352.db2.gz FNPCTIRYTVJNBS-UHFFFAOYSA-N 1 0 437.971 5.940 50 0 IKAARO COc1ccc([C@@H](CNC(=O)c2ccc(C3SCCS3)cc2)[NH+]2CCCCC2)cc1 ZINC000015478284 525184258 /nfs/dbraw/zinc/18/42/58/525184258.db2.gz AJOKOSYBGSHVAG-JOCHJYFZSA-N 1 0 442.650 5.131 50 0 IKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc2ccccc21 ZINC000035451457 525209924 /nfs/dbraw/zinc/20/99/24/525209924.db2.gz WPFJUYSZEATVRL-UHFFFAOYSA-N 1 0 429.608 5.223 50 0 IKAARO C[C@H](NC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)c1ccc(Cl)cc1 ZINC000012434716 525218414 /nfs/dbraw/zinc/21/84/14/525218414.db2.gz ZMIAPXIWENGSGM-IBGZPJMESA-N 1 0 449.982 5.269 50 0 IKAARO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000012529251 525239448 /nfs/dbraw/zinc/23/94/48/525239448.db2.gz DRLQYRAHNGPDIT-DCFHFQCYSA-N 1 0 441.575 5.401 50 0 IKAARO Cc1ccccc1OC[C@@H](O)C[N@@H+](CCC(C)C)Cc1cccn1Cc1cccc(F)c1 ZINC000035840823 525307166 /nfs/dbraw/zinc/30/71/66/525307166.db2.gz JIWCFEDUMFDOCQ-SANMLTNESA-N 1 0 438.587 5.272 50 0 IKAARO Cc1ccccc1OC[C@H](O)C[N@@H+](CCC(C)C)Cc1cccn1Cc1ccccc1F ZINC000035840625 525312419 /nfs/dbraw/zinc/31/24/19/525312419.db2.gz LYVKRPGHMNOOFJ-RUZDIDTESA-N 1 0 438.587 5.272 50 0 IKAARO C[C@H]([NH2+]CCSc1ccc(Cl)cc1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012820133 525361404 /nfs/dbraw/zinc/36/14/04/525361404.db2.gz LWUARQFBSWANHW-LBPRGKRZSA-N 1 0 448.038 5.809 50 0 IKAARO Cc1[nH]c2ccc(NC(=O)c3ccc(C)cc3)cc2c1[C@H](c1ccccn1)[NH+]1CCCCC1 ZINC000021659649 525430085 /nfs/dbraw/zinc/43/00/85/525430085.db2.gz CCAUTHYYVFWCIA-MHZLTWQESA-N 1 0 438.575 6.007 50 0 IKAARO Cc1[nH]c2ccc(NC(=O)c3cccs3)cc2c1[C@H](c1ccccn1)[NH+]1CCCCC1 ZINC000021659630 525431731 /nfs/dbraw/zinc/43/17/31/525431731.db2.gz DXVSQQGCGWQSDZ-DEOSSOPVSA-N 1 0 430.577 5.760 50 0 IKAARO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(-n2ccnc2)cc1 ZINC000012648109 525473521 /nfs/dbraw/zinc/47/35/21/525473521.db2.gz BRVSVTFBRMTSJV-IBGZPJMESA-N 1 0 425.561 5.637 50 0 IKAARO C[C@@H]([NH2+][C@@H](C)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc2c(c1)CCCC2 ZINC000012819974 525621776 /nfs/dbraw/zinc/62/17/76/525621776.db2.gz GMTSBLUBYCPENM-SJORKVTESA-N 1 0 429.589 5.942 50 0 IKAARO CSC[C@@H](C)[NH+]1CCC([C@H](Cc2ccccc2F)N(C)C(=O)c2ccsc2)CC1 ZINC000011839968 525625821 /nfs/dbraw/zinc/62/58/21/525625821.db2.gz BDYQPEMPWZYIGN-VGSWGCGISA-N 1 0 434.646 5.034 50 0 IKAARO Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)C[N@H+]3CCCC[C@@H]3C)n2)cc1 ZINC000021659576 525713996 /nfs/dbraw/zinc/71/39/96/525713996.db2.gz YLKLRKIQIHCNQN-SFHVURJKSA-N 1 0 434.971 5.585 50 0 IKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](C[C@@H](C)c3ccccc3)CC2)c1 ZINC000012111906 525714642 /nfs/dbraw/zinc/71/46/42/525714642.db2.gz MDZNALBNZBIYQL-OAQYLSRUSA-N 1 0 428.576 5.816 50 0 IKAARO COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](COc4cccc(C)c4)C3)c(C)o2)c1OC ZINC000020600287 525724027 /nfs/dbraw/zinc/72/40/27/525724027.db2.gz XQUVXWJYLDLEPA-HXUWFJFHSA-N 1 0 436.552 5.267 50 0 IKAARO Cc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)cc1 ZINC000015859337 525784285 /nfs/dbraw/zinc/78/42/85/525784285.db2.gz MYNQWAIIMHRZHK-VWLOTQADSA-N 1 0 428.532 6.408 50 0 IKAARO COc1cccc(C[N@@H+](Cc2cccn2Cc2cccc(C(F)(F)F)c2)CC(C)C)c1 ZINC000035841153 525922903 /nfs/dbraw/zinc/92/29/03/525922903.db2.gz DHGYSAPJNCKRGY-UHFFFAOYSA-N 1 0 430.514 6.222 50 0 IKAARO Cc1ccc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2ccc(Oc3ncccn3)cc2)cc1C ZINC000012592398 525931997 /nfs/dbraw/zinc/93/19/97/525931997.db2.gz SOSXFRZVDPDKPE-XMMPIXPASA-N 1 0 425.536 5.239 50 0 IKAARO Cc1ccc([C@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)[NH+]2CCC(C)CC2)o1 ZINC000021659834 525959577 /nfs/dbraw/zinc/95/95/77/525959577.db2.gz OCYGBMOFBAVSND-FQEVSTJZSA-N 1 0 428.960 5.807 50 0 IKAARO Cc1cc(/C=C2\Sc3ccc4ccccc4c3N2C)cc(C)[n+]1-c1ccc(C(C)C)cc1 ZINC000013051256 526093015 /nfs/dbraw/zinc/09/30/15/526093015.db2.gz PMLFFYICUOSIFZ-UHFFFAOYSA-N 1 0 437.632 7.397 50 0 IKAARO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000021331342 526160988 /nfs/dbraw/zinc/16/09/88/526160988.db2.gz MODKXLFNXCJTTB-DOTOQJQBSA-N 1 0 444.457 5.167 50 0 IKAARO COc1cccc(NC(=O)N(Cc2cccc(C)n2)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000035686859 526186172 /nfs/dbraw/zinc/18/61/72/526186172.db2.gz VCEOMRXOBVUDAJ-UHFFFAOYSA-N 1 0 444.579 5.097 50 0 IKAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000035569249 526213498 /nfs/dbraw/zinc/21/34/98/526213498.db2.gz ZLWQGNABQLEYHG-SQHAQQRYSA-N 1 0 448.570 5.296 50 0 IKAARO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH2+]CCCc4ccncc4)CC3)cc2)c(C)c1 ZINC000012247009 526221197 /nfs/dbraw/zinc/22/11/97/526221197.db2.gz AGIJJNSIQMFVEA-UHFFFAOYSA-N 1 0 442.607 5.142 50 0 IKAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)C(c3ccccc3)c3ccccc3)sc2c1 ZINC000012140914 526250821 /nfs/dbraw/zinc/25/08/21/526250821.db2.gz PHKVDQKJUXDECE-UHFFFAOYSA-N 1 0 443.616 5.722 50 0 IKAARO Cc1ccc(C(c2ccc(C)cc2)N2CC[NH+](CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022035526 526255565 /nfs/dbraw/zinc/25/55/65/526255565.db2.gz QUHLUNRWOCMCTE-UHFFFAOYSA-N 1 0 437.631 6.125 50 0 IKAARO O[C@]1(C(F)(F)F)C2=C(CC[C@@H](c3ccccc3)C2)[NH2+]N1c1nc(-c2ccccc2)cs1 ZINC000035999483 526319527 /nfs/dbraw/zinc/31/95/27/526319527.db2.gz YEJCZMYYHNDOTN-HMFYCAOWSA-N 1 0 443.494 5.821 50 0 IKAARO Fc1ccc(-n2cc(C[NH2+]Cc3ccc4c(c3)OCO4)c(-c3ccccc3Cl)n2)cc1 ZINC000012579841 526321377 /nfs/dbraw/zinc/32/13/77/526321377.db2.gz MWQCOYFZFADVHN-UHFFFAOYSA-N 1 0 435.886 5.350 50 0 IKAARO Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+](CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022454905 526326800 /nfs/dbraw/zinc/32/68/00/526326800.db2.gz UDRUWZYJFWYYQS-UHFFFAOYSA-N 1 0 445.557 5.786 50 0 IKAARO O=C(CCCc1ccccc1)Nc1ccnn1C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000012459344 526458566 /nfs/dbraw/zinc/45/85/66/526458566.db2.gz ZIMUAGXKGKFXLY-WEVVVXLNSA-N 1 0 446.570 5.334 50 0 IKAARO c1cncc(CN(Cc2nc3c(s2)CCCC3)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000012307945 526546332 /nfs/dbraw/zinc/54/63/32/526546332.db2.gz UTESDEKZOQAOML-QFIPXVFZSA-N 1 0 438.685 5.464 50 0 IKAARO c1cnn(-c2ccc(CN(Cc3cccnc3)C[C@@H]3CCC[N@@H+](C4CCCCC4)C3)cc2)c1 ZINC000012210386 526550226 /nfs/dbraw/zinc/55/02/26/526550226.db2.gz HMYDZYJWKDSZFJ-SANMLTNESA-N 1 0 443.639 5.314 50 0 IKAARO c1cnn(-c2ccc(CN(Cc3cccnc3)C[C@H]3CCC[N@@H+](C4CCCCC4)C3)cc2)c1 ZINC000012210390 526550850 /nfs/dbraw/zinc/55/08/50/526550850.db2.gz HMYDZYJWKDSZFJ-AREMUKBSSA-N 1 0 443.639 5.314 50 0 IKAARO O=C(CC[C@@H]1CCC[N@H+](CC2=Cc3cc(Cl)ccc3OC2)C1)Nc1ccccc1F ZINC000012576135 526554289 /nfs/dbraw/zinc/55/42/89/526554289.db2.gz XRPIKODRNMGXSO-KRWDZBQOSA-N 1 0 428.935 5.386 50 0 IKAARO O=C(c1cc(F)c(F)cc1F)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011937470 526614597 /nfs/dbraw/zinc/61/45/97/526614597.db2.gz QYIKUIZKYFJZBR-IBGZPJMESA-N 1 0 445.529 5.186 50 0 IKAARO O=C(c1ccc(C(F)(F)F)cc1)N(Cc1cccc(OCC[NH+]2CCCCC2)c1)C1CC1 ZINC000012191083 526664924 /nfs/dbraw/zinc/66/49/24/526664924.db2.gz OBXVOHUXVDOQNE-UHFFFAOYSA-N 1 0 446.513 5.375 50 0 IKAARO O=C(c1ccc(Cl)cc1OC1CC[NH+](CCc2ccccc2)CC1)N1CCCCC1 ZINC000012457950 526679695 /nfs/dbraw/zinc/67/96/95/526679695.db2.gz FVRJIEHPLCJDLK-UHFFFAOYSA-N 1 0 426.988 5.052 50 0 IKAARO O=C(c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)N1CC[C@@H](C2CCCCC2)C1 ZINC000012308651 526707885 /nfs/dbraw/zinc/70/78/85/526707885.db2.gz LXLQMACMPUZGNK-XMMPIXPASA-N 1 0 447.623 5.167 50 0 IKAARO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@@H+]1CCCC[C@@H]1CCN1CCCC1=O ZINC000012297763 526728718 /nfs/dbraw/zinc/72/87/18/526728718.db2.gz CVGDQWPNYQCZGZ-RUZDIDTESA-N 1 0 443.591 5.684 50 0 IKAARO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)nc1CSc1ccccc1 ZINC000015682250 526728797 /nfs/dbraw/zinc/72/87/97/526728797.db2.gz NOPLCYVRNOEBJV-UHFFFAOYSA-N 1 0 435.593 5.158 50 0 IKAARO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@@H+]1CCCC[C@H]1CCN1CCCC1=O ZINC000012297764 526728936 /nfs/dbraw/zinc/72/89/36/526728936.db2.gz CVGDQWPNYQCZGZ-VWLOTQADSA-N 1 0 443.591 5.684 50 0 IKAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000023337410 526729958 /nfs/dbraw/zinc/72/99/58/526729958.db2.gz GLLPFCIBYMOWNA-KRWDZBQOSA-N 1 0 441.453 6.190 50 0 IKAARO O=C(NCc1ccccc1C(F)(F)F)[C@H]1CC12CC[NH+](CCCc1ccccc1)CC2 ZINC000012039757 526744335 /nfs/dbraw/zinc/74/43/35/526744335.db2.gz WLJQAUZVKGOEJA-JOCHJYFZSA-N 1 0 430.514 5.057 50 0 IKAARO O=C(c1cccc(Cl)c1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012575153 526758179 /nfs/dbraw/zinc/75/81/79/526758179.db2.gz WRKOGSIYGHISHW-HSZRJFAPSA-N 1 0 444.978 5.013 50 0 IKAARO O=C(c1cccc(Cl)c1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012575147 526758201 /nfs/dbraw/zinc/75/82/01/526758201.db2.gz WRKOGSIYGHISHW-QHCPKHFHSA-N 1 0 444.978 5.013 50 0 IKAARO O=C(c1ccco1)N([C@H](Cc1ccccc1)C1CC[NH+](C[C@@H]2CC=CCC2)CC1)C1CC1 ZINC000011880529 526826161 /nfs/dbraw/zinc/82/61/61/526826161.db2.gz TZRMJKPHAXTSKB-ZEQKJWHPSA-N 1 0 432.608 5.564 50 0 IKAARO O=C(c1nc2ccc(Cl)cn2c1C[NH2+]CC[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCCCCCC1 ZINC000012298244 526916692 /nfs/dbraw/zinc/91/66/92/526916692.db2.gz AMLGHOZZKQRBSX-HSALFYBXSA-N 1 0 441.019 5.086 50 0 IKAARO Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]C2CCCCCC2)C4)cs1 ZINC000012218465 527069634 /nfs/dbraw/zinc/06/96/34/527069634.db2.gz HDXCYOOUYHQURO-WMLDXEAASA-N 1 0 442.654 5.002 50 0 IKAARO O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012866438 527143976 /nfs/dbraw/zinc/14/39/76/527143976.db2.gz GVZZLWASDOUNQD-UHFFFAOYSA-N 1 0 443.595 5.300 50 0 IKAARO O=C(Nc1ccc(Oc2ccccc2)nc1)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000012306523 527251348 /nfs/dbraw/zinc/25/13/48/527251348.db2.gz WIVFZMJFOINNNV-UHFFFAOYSA-N 1 0 427.957 5.440 50 0 IKAARO Cc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)s1 ZINC000012430668 527256781 /nfs/dbraw/zinc/25/67/81/527256781.db2.gz NPGLHCSJACYFTB-HXUWFJFHSA-N 1 0 430.577 5.451 50 0 IKAARO O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000035373600 527348286 /nfs/dbraw/zinc/34/82/86/527348286.db2.gz WDABUSWHWFPUDG-UHFFFAOYSA-N 1 0 442.028 5.500 50 0 IKAARO O=C(Nc1ccccc1Oc1ccccc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020567863 527433952 /nfs/dbraw/zinc/43/39/52/527433952.db2.gz LAXBZXLYHYWUFW-UHFFFAOYSA-N 1 0 434.539 6.290 50 0 IKAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccccc2-c2ccco2)CC1)c1cccc(F)c1 ZINC000012583655 527461385 /nfs/dbraw/zinc/46/13/85/527461385.db2.gz BZFMOKMZQPPVON-UHFFFAOYSA-N 1 0 444.510 5.372 50 0 IKAARO FC(F)(F)c1ccc(Cn2cccc2C[N@@H+](Cc2ccccc2)CC2CCCCC2)cc1 ZINC000035841068 527683225 /nfs/dbraw/zinc/68/32/25/527683225.db2.gz UMNNMTQPXJIMCG-UHFFFAOYSA-N 1 0 440.553 7.138 50 0 IKAARO CC[NH+]1CCN(c2ccc(N[C@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)cc2)CC1 ZINC000009367158 535747385 /nfs/dbraw/zinc/74/73/85/535747385.db2.gz FDJXPEHRAHKWLO-MHZLTWQESA-N 1 0 442.607 5.237 50 0 IKAARO COc1cc2c(cc1OC)[C@@H](O)C(C)(C)[N@H+](CCC(c1ccccc1)c1ccccc1)C2 ZINC000000755135 555553866 /nfs/dbraw/zinc/55/38/66/555553866.db2.gz LWHIZVSTKKDMAP-HHHXNRCGSA-N 1 0 431.576 5.554 50 0 biogenic IKAARO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000000854710 555571074 /nfs/dbraw/zinc/57/10/74/555571074.db2.gz OLHVTUVMCGOPOE-UHFFFAOYSA-N 1 0 444.362 5.351 50 0 IKAARO CCOc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000001800426 555717035 /nfs/dbraw/zinc/71/70/35/555717035.db2.gz BZNQUXLHXUOJIT-NDEPHWFRSA-N 1 0 427.568 5.403 50 0 IKAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000002177972 555752701 /nfs/dbraw/zinc/75/27/01/555752701.db2.gz LOGJTFUBUPRCNQ-INIZCTEOSA-N 1 0 444.344 6.027 50 0 IKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)C[NH+]1CCCCCC1 ZINC000002182536 555754316 /nfs/dbraw/zinc/75/43/16/555754316.db2.gz LLWPDFYUYHVKRQ-SANMLTNESA-N 1 0 438.615 6.521 50 0 IKAARO CC(C)(C)c1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2SCCC3)cc1 ZINC000002546589 555786961 /nfs/dbraw/zinc/78/69/61/555786961.db2.gz NOERQZFKPKSLLT-UHFFFAOYSA-N 1 0 428.419 5.988 50 0 IKAARO Cc1ccc(C[N@H+](CCC(C)C)Cc2ccc(C(=O)NCc3ccccc3F)o2)s1 ZINC000034670202 555792755 /nfs/dbraw/zinc/79/27/55/555792755.db2.gz RUJAXEFLWIDIHT-UHFFFAOYSA-N 1 0 428.573 5.767 50 0 IKAARO CCN(C)C(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2 ZINC000034671571 555793011 /nfs/dbraw/zinc/79/30/11/555793011.db2.gz ROOMXRGYCUNMFW-KDYSTLNUSA-N 1 0 428.576 5.080 50 0 IKAARO Cc1ccccc1[C@@H]1C[N@H+](CC2CC2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698886 555812425 /nfs/dbraw/zinc/81/24/25/555812425.db2.gz NJUUDVSYZBKBAT-LEAFIULHSA-N 1 0 430.636 5.896 50 0 IKAARO Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3C)[C@@H](CN(C(=O)c3ccccc3)C(C)C)C2)o1 ZINC000034698792 555812481 /nfs/dbraw/zinc/81/24/81/555812481.db2.gz ZCEGTUVNOFCGKF-SHQCIBLASA-N 1 0 430.592 5.663 50 0 IKAARO Cc1ccsc1C[N@@H+]1C[C@@H](c2ccccc2C)[C@@H](CN(C(=O)c2ccccc2)C(C)C)C1 ZINC000034698790 555812541 /nfs/dbraw/zinc/81/25/41/555812541.db2.gz FGWTXUFTMJQVOO-AOYPEHQESA-N 1 0 446.660 6.131 50 0 IKAARO Cc1ccccc1[C@H]1C[N@H+](CC2CC2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698887 555812580 /nfs/dbraw/zinc/81/25/80/555812580.db2.gz NJUUDVSYZBKBAT-NAKRPHOHSA-N 1 0 430.636 5.896 50 0 IKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2cccn2C)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000034699037 555812746 /nfs/dbraw/zinc/81/27/46/555812746.db2.gz IKQVHZNUXVEFTF-SHQCIBLASA-N 1 0 447.598 5.178 50 0 IKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3)[C@H](c3ccc(F)cc3)C2)o1 ZINC000034699035 555812856 /nfs/dbraw/zinc/81/28/56/555812856.db2.gz SFWPBGNZGFMNNH-IGKIAQTJSA-N 1 0 448.582 5.741 50 0 IKAARO Cc1ccc(C[N@@H+]2C[C@@H](c3ccc(C)cc3)[C@@H](CN(C(=O)c3ccccc3)C(C)C)C2)o1 ZINC000034699094 555813432 /nfs/dbraw/zinc/81/34/32/555813432.db2.gz IPEOCWLBZFFVSE-VPUSJEBWSA-N 1 0 430.592 5.663 50 0 IKAARO CC(C)c1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)c4ccc(F)cc4)cn3)CC2)cc1 ZINC000034681665 555814914 /nfs/dbraw/zinc/81/49/14/555814914.db2.gz LSQGWUVEHAPOMP-UHFFFAOYSA-N 1 0 446.570 5.309 50 0 IKAARO Cc1ccc([C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000034699098 555815590 /nfs/dbraw/zinc/81/55/90/555815590.db2.gz FAVFHMFMHYJSGQ-FTJBHMTQSA-N 1 0 432.633 5.823 50 0 IKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3cccs3)c3ccccc3)CC2)c1OC ZINC000034682498 555816359 /nfs/dbraw/zinc/81/63/59/555816359.db2.gz YWJIBKJPAHIRAJ-UHFFFAOYSA-N 1 0 436.577 5.077 50 0 IKAARO COc1ccc(OC)c(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccccc3)CC2)c1 ZINC000034682463 555816434 /nfs/dbraw/zinc/81/64/34/555816434.db2.gz BFWRGNNVCSMHQD-UHFFFAOYSA-N 1 0 448.538 5.154 50 0 IKAARO Cc1cccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000034682765 555817120 /nfs/dbraw/zinc/81/71/20/555817120.db2.gz SSLZXIPSCLVUBP-UHFFFAOYSA-N 1 0 436.958 6.099 50 0 IKAARO Cc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000034682939 555817537 /nfs/dbraw/zinc/81/75/37/555817537.db2.gz UEBUDINFXUWGEG-UHFFFAOYSA-N 1 0 442.559 5.078 50 0 IKAARO COc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000034682808 555817553 /nfs/dbraw/zinc/81/75/53/555817553.db2.gz VCUTWEKURONSKL-UHFFFAOYSA-N 1 0 434.967 5.660 50 0 IKAARO CCc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000034683085 555818112 /nfs/dbraw/zinc/81/81/12/555818112.db2.gz LMBLZCQBYMUGOJ-UHFFFAOYSA-N 1 0 432.995 6.214 50 0 IKAARO Cc1cccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccc(C)c(C)c3)CC2)c1 ZINC000034683201 555818387 /nfs/dbraw/zinc/81/83/87/555818387.db2.gz DFRTWUBWQGHHRU-UHFFFAOYSA-N 1 0 430.567 6.062 50 0 IKAARO COc1cccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000034683614 555819098 /nfs/dbraw/zinc/81/90/98/555819098.db2.gz LSVYUQAKQMHCHQ-UHFFFAOYSA-N 1 0 430.548 5.021 50 0 IKAARO COc1cc(C[NH+]2CCC(N(C(=O)c3ccc(C)cc3)c3ccc(F)cc3)CC2)ccc1O ZINC000034683566 555819161 /nfs/dbraw/zinc/81/91/61/555819161.db2.gz SHIJRBUYIJYBRJ-UHFFFAOYSA-N 1 0 448.538 5.160 50 0 IKAARO Cc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C ZINC000034683502 555819171 /nfs/dbraw/zinc/81/91/71/555819171.db2.gz NMVZMZMIAZLGMM-UHFFFAOYSA-N 1 0 434.530 5.893 50 0 IKAARO CCc1ccc(N(C2CC[NH+](Cc3cccs3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000034683824 555819396 /nfs/dbraw/zinc/81/93/96/555819396.db2.gz VTELLRVTBIZURY-UHFFFAOYSA-N 1 0 440.634 5.170 50 0 IKAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(C(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC000034684945 555820643 /nfs/dbraw/zinc/82/06/43/555820643.db2.gz BQWDSMMTMSGKDG-UHFFFAOYSA-N 1 0 426.560 5.370 50 0 IKAARO Cc1cccc([C@H]2C[C@@H](C(=O)NCc3cccc(F)c3)C[N@H+](Cc3ccccc3F)C2)c1 ZINC000034711421 555824394 /nfs/dbraw/zinc/82/43/94/555824394.db2.gz YBHSIBMBIOMRIC-BJKOFHAPSA-N 1 0 434.530 5.195 50 0 IKAARO Cc1cccc(CNC(=O)[C@@H]2C[C@@H](c3ccccc3)C[N@H+](Cc3ccc(F)c(F)c3)C2)c1 ZINC000034711392 555824428 /nfs/dbraw/zinc/82/44/28/555824428.db2.gz PBRQTRFVQCMQAC-DNQXCXABSA-N 1 0 434.530 5.195 50 0 IKAARO Cc1cccc([C@H]2C[C@@H](C(=O)NCc3cccc(F)c3)C[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000034711449 555824441 /nfs/dbraw/zinc/82/44/41/555824441.db2.gz BXNWDMJXPVSMER-BJKOFHAPSA-N 1 0 434.530 5.195 50 0 IKAARO COc1ccc(NC(=O)[C@H]2C[C@H](c3cccc(C)c3)C[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000034711271 555824447 /nfs/dbraw/zinc/82/44/47/555824447.db2.gz GSEIMQAEPFIHEQ-GOTSBHOMSA-N 1 0 432.539 5.387 50 0 IKAARO COc1ccc(NC(=O)[C@@H]2C[C@H](c3cccc(C)c3)C[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000034711273 555824525 /nfs/dbraw/zinc/82/45/25/555824525.db2.gz GSEIMQAEPFIHEQ-XZOQPEGZSA-N 1 0 432.539 5.387 50 0 IKAARO Cc1cccc([C@@H]2C[C@@H](C(=O)NCc3cccc(F)c3)C[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000034711448 555824589 /nfs/dbraw/zinc/82/45/89/555824589.db2.gz BXNWDMJXPVSMER-DNQXCXABSA-N 1 0 434.530 5.195 50 0 IKAARO S=C(Nc1ccc(Br)cc1Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000002851735 555839637 /nfs/dbraw/zinc/83/96/37/555839637.db2.gz LAMJXNKMRSGCNB-UHFFFAOYSA-N 1 0 438.822 5.054 50 0 IKAARO FC(F)(F)c1cccc([C@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]2C[NH+]2CCCCC2)c1 ZINC000034723292 555861617 /nfs/dbraw/zinc/86/16/17/555861617.db2.gz XSYUPDUXSVZVGK-NZQKXSOJSA-N 1 0 436.949 6.060 50 0 IKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH2+]Cc1ccccc1 ZINC000002914325 555862349 /nfs/dbraw/zinc/86/23/49/555862349.db2.gz DYRKYRSWTTUQDQ-HHHXNRCGSA-N 1 0 446.594 6.434 50 0 IKAARO Cc1cc([C@H]2C[C@@H](C(=O)NCc3ccccc3)C[N@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716629 555865959 /nfs/dbraw/zinc/86/59/59/555865959.db2.gz SQCNIMUXBLGGPT-BJKOFHAPSA-N 1 0 434.530 5.195 50 0 IKAARO Cc1ccc(O[C@H](CCN2CC[NH+](Cc3ccccc3)CC2)c2cccc(Cl)c2)cc1 ZINC000034728590 555868610 /nfs/dbraw/zinc/86/86/10/555868610.db2.gz LAEJPVFKCAKJGR-HHHXNRCGSA-N 1 0 435.011 5.976 50 0 IKAARO Cc1ccc(C(=O)NCc2ccccc2C)c(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000034730090 555869650 /nfs/dbraw/zinc/86/96/50/555869650.db2.gz JPDRJTRPHOSUPI-UHFFFAOYSA-N 1 0 448.010 5.661 50 0 IKAARO Cc1ccc(C(=O)NCC2CCCCC2)c(C2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000034729994 555869719 /nfs/dbraw/zinc/86/97/19/555869719.db2.gz ZMJUANWGXNNTAA-UHFFFAOYSA-N 1 0 440.031 5.733 50 0 IKAARO COc1ccccc1CNC(=O)c1ccc(C)nc1C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000034726052 555882023 /nfs/dbraw/zinc/88/20/23/555882023.db2.gz ZVLILYCQONDRRF-UHFFFAOYSA-N 1 0 443.591 5.017 50 0 IKAARO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2cc(C)ccc2F)c2cccs2)CC1 ZINC000034726865 555882081 /nfs/dbraw/zinc/88/20/81/555882081.db2.gz YEMBYGJRLSLKSE-HSZRJFAPSA-N 1 0 440.584 5.537 50 0 IKAARO Fc1ccc(N2CC[NH+](CC[C@H](Oc3ccc(F)cc3Cl)c3cccs3)CC2)cc1 ZINC000034726933 555882343 /nfs/dbraw/zinc/88/23/43/555882343.db2.gz OPXDYFDDWANVOQ-QFIPXVFZSA-N 1 0 448.966 6.012 50 0 IKAARO Fc1ccccc1O[C@H](CCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC000034726998 555882421 /nfs/dbraw/zinc/88/24/21/555882421.db2.gz VVOBAQJMBLXFKU-RUZDIDTESA-N 1 0 438.974 5.807 50 0 IKAARO Fc1ccc(N2CC[NH+](CC[C@@H](Oc3ccc(Cl)cc3)c3cccs3)CC2)cc1 ZINC000034726895 555882429 /nfs/dbraw/zinc/88/24/29/555882429.db2.gz ZAAMIJHPWINDTD-JOCHJYFZSA-N 1 0 430.976 5.873 50 0 IKAARO Cc1ccccc1N1CC[NH+](CC[C@H](Oc2ccc(F)c(C)c2)c2ccc(F)cc2)CC1 ZINC000034740118 555883294 /nfs/dbraw/zinc/88/32/94/555883294.db2.gz ZQQWSWHWLFBIST-MHZLTWQESA-N 1 0 436.546 5.914 50 0 IKAARO CC(C)C(=O)N(C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1c1cccc(F)c1)C(C)C ZINC000034740808 555883995 /nfs/dbraw/zinc/88/39/95/555883995.db2.gz NUMPGQUHOIMTSA-ZJSXRUAMSA-N 1 0 430.995 5.588 50 0 IKAARO COc1ccccc1[C@@H]1C[N@H+](Cc2cc(C)c(C)o2)C[C@@H]1CN(CC(C)C)C(=O)C(C)C ZINC000034740600 555884039 /nfs/dbraw/zinc/88/40/39/555884039.db2.gz VUAJCQXHVVSRPJ-RCZVLFRGSA-N 1 0 440.628 5.261 50 0 IKAARO CC(=O)N(C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000034740726 555884107 /nfs/dbraw/zinc/88/41/07/555884107.db2.gz ZNWDLHREOQWNNJ-NOZRDPDXSA-N 1 0 440.578 5.670 50 0 IKAARO CC(C)CC[NH+](CCC(C)C)C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000003128838 555889944 /nfs/dbraw/zinc/88/99/44/555889944.db2.gz IHMBEJNANGVATF-NRFANRHFSA-N 1 0 449.466 6.856 50 0 IKAARO CC(C)CC[NH+](CCC(C)C)C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000003128839 555889971 /nfs/dbraw/zinc/88/99/71/555889971.db2.gz IHMBEJNANGVATF-OAQYLSRUSA-N 1 0 449.466 6.856 50 0 IKAARO CC(C)[NH+]1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)C4CCCC4)cc32)CC1 ZINC000034790594 555916270 /nfs/dbraw/zinc/91/62/70/555916270.db2.gz UJPHUONTPDSKLV-UHFFFAOYSA-N 1 0 432.568 5.025 50 0 IKAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2)CC1 ZINC000004122536 555965352 /nfs/dbraw/zinc/96/53/52/555965352.db2.gz QHZBBYLAKDGXAM-UHFFFAOYSA-N 1 0 430.335 5.258 50 0 IKAARO CC(C)[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000004574094 556002062 /nfs/dbraw/zinc/00/20/62/556002062.db2.gz PCNJVSSSPXTRCT-DEOSSOPVSA-N 1 0 428.617 5.608 50 0 IKAARO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1)c1ccccc1 ZINC000004575777 556002247 /nfs/dbraw/zinc/00/22/47/556002247.db2.gz FFOWQDDRXBXZSY-QFIPXVFZSA-N 1 0 428.576 5.355 50 0 IKAARO CCCCCCOc1ccccc1NC(=O)OC(CN1CCCCC1)C[NH+]1CCCCC1 ZINC000004583358 556002788 /nfs/dbraw/zinc/00/27/88/556002788.db2.gz DHMLFLUIIOQLOJ-UHFFFAOYSA-N 1 0 445.648 5.535 50 0 IKAARO CC[NH+](CC)CCON(CCC(c1ccccc1)c1ccccc1)[C@H](C)c1ccccc1 ZINC000005591594 556060268 /nfs/dbraw/zinc/06/02/68/556060268.db2.gz LFMPJPVRZAGMDH-RUZDIDTESA-N 1 0 430.636 6.545 50 0 IKAARO Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)c3ccccc32)cc1 ZINC000006071859 556073635 /nfs/dbraw/zinc/07/36/35/556073635.db2.gz WRNXUQJJCIZICJ-DEOSSOPVSA-N 1 0 427.548 5.291 50 0 in-man IKAARO CCOc1ccccc1C[N@H+](CCc1ccc2c(c1)OCO2)Cc1ccc(OC)cc1OC ZINC000002768376 556139841 /nfs/dbraw/zinc/13/98/41/556139841.db2.gz KUWDLWFWUYACQQ-UHFFFAOYSA-N 1 0 449.547 5.076 50 0 IKAARO CCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000002795091 556145215 /nfs/dbraw/zinc/14/52/15/556145215.db2.gz FITKBPLAYVCAJC-CYBMUJFWSA-N 1 0 434.392 5.969 50 0 IKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000008629590 556194102 /nfs/dbraw/zinc/19/41/02/556194102.db2.gz HUEIIWBYDFCOBA-GFCCVEGCSA-N 1 0 427.458 5.275 50 0 IKAARO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCO[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000008748945 556210346 /nfs/dbraw/zinc/21/03/46/556210346.db2.gz XIRRZPCWSNKZAJ-BXKMTCNYSA-N 1 0 432.366 6.459 50 0 IKAARO O=C(C1CC[NH+](CCCc2ccccc2)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000008830312 556225194 /nfs/dbraw/zinc/22/51/94/556225194.db2.gz BJEUNDABMRVMTC-UHFFFAOYSA-N 1 0 440.631 5.603 50 0 IKAARO COc1cccc(CN2CCC([N@H+](CCc3ccccc3)Cc3ccccc3)CC2)c1OC ZINC000008830243 556225200 /nfs/dbraw/zinc/22/52/00/556225200.db2.gz DZMNESXMQJGKKI-UHFFFAOYSA-N 1 0 444.619 5.413 50 0 IKAARO S=C(Nc1ccccc1)N(Cc1ccccc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000009482477 556294243 /nfs/dbraw/zinc/29/42/43/556294243.db2.gz CCYFEUPROKITPC-UHFFFAOYSA-N 1 0 429.633 5.798 50 0 IKAARO COc1ccccc1C[NH+]1CCC(C(=O)N(CCc2ccccc2)Cc2ccccc2)CC1 ZINC000009731029 556307812 /nfs/dbraw/zinc/30/78/12/556307812.db2.gz BRXPHNSYSWQCRY-UHFFFAOYSA-N 1 0 442.603 5.179 50 0 IKAARO COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000013780521 556308297 /nfs/dbraw/zinc/30/82/97/556308297.db2.gz NAPIZYZVKMASNP-PXJZQJOASA-N 1 0 427.588 6.032 50 0 in-vitro IKAARO O=C(C1CC[NH+](Cc2ccc(Cl)cc2)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000013893547 556327949 /nfs/dbraw/zinc/32/79/49/556327949.db2.gz HMNGCEHPLYDNTD-UHFFFAOYSA-N 1 0 447.022 5.824 50 0 IKAARO Clc1ccc(Cn2cc(C[NH2+]Cc3ccccc3Cl)c3ccccc32)c(Cl)c1 ZINC000010315511 556330375 /nfs/dbraw/zinc/33/03/75/556330375.db2.gz QDHSAQWBGBXFOW-UHFFFAOYSA-N 1 0 429.778 6.940 50 0 IKAARO COc1ccc(NC(=O)CCC2CC[NH+](Cc3c(F)cccc3Cl)CC2)c(OC)c1 ZINC000011662639 556344044 /nfs/dbraw/zinc/34/40/44/556344044.db2.gz JWNFHMIIBJUUNM-UHFFFAOYSA-N 1 0 434.939 5.127 50 0 IKAARO C[C@H]([NH2+]Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21)c1ccc(F)cc1 ZINC000011664863 556345656 /nfs/dbraw/zinc/34/56/56/556345656.db2.gz MDJHANWEZJYRDN-KRWDZBQOSA-N 1 0 442.966 5.384 50 0 IKAARO CC(C)[NH+](C[C@H](C)NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1)C(C)C ZINC000013960299 556347723 /nfs/dbraw/zinc/34/77/23/556347723.db2.gz PNGFJKZNRHWNHL-HNNXBMFYSA-N 1 0 440.481 5.059 50 0 IKAARO OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000011705706 556347802 /nfs/dbraw/zinc/34/78/02/556347802.db2.gz KEWFXLDSCYSBJC-UHFFFAOYSA-N 1 0 432.564 5.233 50 0 IKAARO CC(C)[C@@H]([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc2c(c1)OCCCO2 ZINC000014014641 556355198 /nfs/dbraw/zinc/35/51/98/556355198.db2.gz QCCQFNPTTFPJRJ-AREMUKBSSA-N 1 0 430.548 5.587 50 0 IKAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccc(F)cc1F ZINC000011814573 556357988 /nfs/dbraw/zinc/35/79/88/556357988.db2.gz RZFFAPONGOPKQU-UHFFFAOYSA-N 1 0 440.456 5.010 50 0 IKAARO CCCn1cc(C[NH+]2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)c(C)n1 ZINC000011815558 556358454 /nfs/dbraw/zinc/35/84/54/556358454.db2.gz AWXOVPFODGKOOW-UHFFFAOYSA-N 1 0 430.596 5.428 50 0 IKAARO C[N@H+](Cc1ccc(OCCNC(=O)c2cccc(F)c2)cc1)Cc1cccc2ccccc21 ZINC000011841661 556365534 /nfs/dbraw/zinc/36/55/34/556365534.db2.gz ZVPYWWMXWPRQQU-UHFFFAOYSA-N 1 0 442.534 5.420 50 0 IKAARO Cc1ccc(-c2csc3[nH]c(C[NH2+][C@@H](C)c4ccc5c(c4)CCCC5)nc(=O)c23)s1 ZINC000014092802 556365751 /nfs/dbraw/zinc/36/57/51/556365751.db2.gz HDPRZXNKZQAVEG-HNNXBMFYSA-N 1 0 435.618 5.751 50 0 IKAARO CN(C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccc2[nH]ccc2c1 ZINC000011873050 556369402 /nfs/dbraw/zinc/36/94/02/556369402.db2.gz WNVBORGVDXULFN-LJQANCHMSA-N 1 0 443.513 5.213 50 0 IKAARO COc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)ccc1C ZINC000011872937 556369469 /nfs/dbraw/zinc/36/94/69/556369469.db2.gz AMRYOAQLLWODOM-HXUWFJFHSA-N 1 0 448.529 5.049 50 0 IKAARO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000014123991 556372835 /nfs/dbraw/zinc/37/28/35/556372835.db2.gz CXGVJXKGBFAKTL-DEOSSOPVSA-N 1 0 447.629 5.443 50 0 IKAARO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH2+][C@H](C)Cc4cccnc4)CC3)cc2)c(C)c1 ZINC000011880910 556372809 /nfs/dbraw/zinc/37/28/09/556372809.db2.gz YLLLFFVHVUYPCO-JOCHJYFZSA-N 1 0 442.607 5.140 50 0 IKAARO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH2+][C@@H](C)Cc4cccnc4)CC3)cc2)c(C)c1 ZINC000011880909 556372933 /nfs/dbraw/zinc/37/29/33/556372933.db2.gz YLLLFFVHVUYPCO-QFIPXVFZSA-N 1 0 442.607 5.140 50 0 IKAARO O=C(CCCc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000011934571 556377544 /nfs/dbraw/zinc/37/75/44/556377544.db2.gz CPBYILZXWDPQHC-UHFFFAOYSA-N 1 0 441.579 5.163 50 0 IKAARO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000011934598 556377647 /nfs/dbraw/zinc/37/76/47/556377647.db2.gz CULALNCYMOIBSG-UHFFFAOYSA-N 1 0 449.558 5.562 50 0 IKAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000011935335 556378231 /nfs/dbraw/zinc/37/82/31/556378231.db2.gz UXFASUZTEURKDV-UHFFFAOYSA-N 1 0 440.469 5.925 50 0 IKAARO Cn1cc(C[NH+]2CCC(OCc3cccnc3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000011936894 556379110 /nfs/dbraw/zinc/37/91/10/556379110.db2.gz RQIHETNOTRIYES-UHFFFAOYSA-N 1 0 444.623 5.711 50 0 IKAARO CSc1ccc(NC(=O)[C@@H]2CC23CC[NH+](Cc2cnc(-c4ccccc4)s2)CC3)cc1 ZINC000012020866 556386711 /nfs/dbraw/zinc/38/67/11/556386711.db2.gz CMCPJDYBTMBALF-QFIPXVFZSA-N 1 0 449.645 5.773 50 0 IKAARO CC1(C)C[C@H](C[NH+]2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)CCO1 ZINC000012054027 556393224 /nfs/dbraw/zinc/39/32/24/556393224.db2.gz HJJDCJQYQIQXSH-GOSISDBHSA-N 1 0 449.035 5.061 50 0 IKAARO O=C(c1ccccc1OC1CC[NH+](Cc2ccccc2-c2ccco2)CC1)N1CCCCC1 ZINC000012058320 556395191 /nfs/dbraw/zinc/39/51/91/556395191.db2.gz KBXAYGVBZPSVFI-UHFFFAOYSA-N 1 0 444.575 5.616 50 0 IKAARO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000012073789 556396390 /nfs/dbraw/zinc/39/63/90/556396390.db2.gz DYXSADUGRWSUIP-UHFFFAOYSA-N 1 0 440.927 5.213 50 0 IKAARO Cc1c(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)[nH]c2c1cccc2C ZINC000012073358 556396450 /nfs/dbraw/zinc/39/64/50/556396450.db2.gz DMKQTWPGDLLYPC-UHFFFAOYSA-N 1 0 445.607 5.454 50 0 IKAARO Cc1ccc([C@H](C)CC[NH+]2CCC(n3nccc3NC(=O)Nc3ccccc3C)CC2)o1 ZINC000012090071 556402011 /nfs/dbraw/zinc/40/20/11/556402011.db2.gz LOJDACMOBMVNLG-LJQANCHMSA-N 1 0 435.572 5.568 50 0 IKAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(C(C)(C)C)cc1 ZINC000032622635 556409921 /nfs/dbraw/zinc/40/99/21/556409921.db2.gz ZIRHHRQTORDJAU-FQEVSTJZSA-N 1 0 425.598 5.514 50 0 IKAARO CC(C)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000032622871 556410216 /nfs/dbraw/zinc/41/02/16/556410216.db2.gz ZJRYDQOKJNPANU-QFIPXVFZSA-N 1 0 438.955 5.067 50 0 IKAARO CC(C)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000032622873 556410264 /nfs/dbraw/zinc/41/02/64/556410264.db2.gz ZJRYDQOKJNPANU-JOCHJYFZSA-N 1 0 438.955 5.067 50 0 IKAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1cc(-c2cccs2)on1 ZINC000032623495 556410727 /nfs/dbraw/zinc/41/07/27/556410727.db2.gz XCFLJFRLGICAPR-IBGZPJMESA-N 1 0 429.973 5.404 50 0 IKAARO C[N@@H+]1CCCN(c2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)CC1 ZINC000014358897 556414140 /nfs/dbraw/zinc/41/41/40/556414140.db2.gz JFFCBCIKYQYZAV-UHFFFAOYSA-N 1 0 445.057 5.268 50 0 IKAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000032675931 556415899 /nfs/dbraw/zinc/41/58/99/556415899.db2.gz YQLSUVQLCNXXFG-UHFFFAOYSA-N 1 0 439.481 5.377 50 0 IKAARO CCc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000032664947 556416675 /nfs/dbraw/zinc/41/66/75/556416675.db2.gz UKULNWJWIMFNLM-RBUKOAKNSA-N 1 0 445.563 5.188 50 0 IKAARO CCc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000032664944 556416760 /nfs/dbraw/zinc/41/67/60/556416760.db2.gz UKULNWJWIMFNLM-RTBURBONSA-N 1 0 445.563 5.188 50 0 IKAARO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000032664940 556416814 /nfs/dbraw/zinc/41/68/14/556416814.db2.gz UKULNWJWIMFNLM-MOPGFXCFSA-N 1 0 445.563 5.188 50 0 IKAARO C[C@@H](Cc1cccs1)[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000032836182 556418157 /nfs/dbraw/zinc/41/81/57/556418157.db2.gz RGQOVZZKTQFIKW-HNNXBMFYSA-N 1 0 429.998 5.104 50 0 IKAARO CC1CC[NH+]([C@H](CNC(=O)Cc2csc(-c3cccs3)n2)c2cccs2)CC1 ZINC000012973015 556419354 /nfs/dbraw/zinc/41/93/54/556419354.db2.gz LVAGBMCGEBKSKG-QGZVFWFLSA-N 1 0 431.652 5.065 50 0 IKAARO C[N@@H+](Cc1ccc(Br)s1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000032843115 556428101 /nfs/dbraw/zinc/42/81/01/556428101.db2.gz WAKCYTPVUIOWIC-SFHVURJKSA-N 1 0 432.383 5.049 50 0 IKAARO O=C(C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)N[C@H](c1cccs1)c1ccccc1 ZINC000014670851 556431409 /nfs/dbraw/zinc/43/14/09/556431409.db2.gz OFAYBEXHISKISS-IGKIAQTJSA-N 1 0 426.585 5.527 50 0 IKAARO C[NH+](C)[C@H](CNc1nc(-c2cccnc2)nc2sc3c(c21)CCCC3)c1ccccc1 ZINC000013014177 556436719 /nfs/dbraw/zinc/43/67/19/556436719.db2.gz XMZLXZHLHQLRMQ-HXUWFJFHSA-N 1 0 429.593 5.347 50 0 IKAARO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027992657 556440450 /nfs/dbraw/zinc/44/04/50/556440450.db2.gz PDASQOLIHRNOIQ-INIZCTEOSA-N 1 0 433.371 5.132 50 0 IKAARO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028289192 556449170 /nfs/dbraw/zinc/44/91/70/556449170.db2.gz ZPMCDHAZUFIRFH-QFIPXVFZSA-N 1 0 438.999 6.259 50 0 IKAARO Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCC3)cc(=O)c2c1 ZINC000028289553 556449207 /nfs/dbraw/zinc/44/92/07/556449207.db2.gz QYRUNJFBJQIXQJ-HSZRJFAPSA-N 1 0 446.591 5.274 50 0 IKAARO CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCC3)cc(=O)c2c1 ZINC000028289485 556449250 /nfs/dbraw/zinc/44/92/50/556449250.db2.gz LPILQALLGDAWRN-QHCPKHFHSA-N 1 0 446.591 5.220 50 0 IKAARO Cc1cc2oc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCCCC3)cc(=O)c2cc1Cl ZINC000028289968 556449469 /nfs/dbraw/zinc/44/94/69/556449469.db2.gz OXBUSWUEBGMSCO-GOSISDBHSA-N 1 0 444.984 5.163 50 0 IKAARO Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccc(C(C)C)cc3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028292655 556450621 /nfs/dbraw/zinc/45/06/21/556450621.db2.gz BDDFEYMEIMOAJB-XMMPIXPASA-N 1 0 446.591 5.490 50 0 IKAARO Cc1cc2oc(C(=O)NC[C@H](c3ccc(C(C)C)cc3)[NH+]3CCCCC3)cc(=O)c2cc1C ZINC000028293039 556450708 /nfs/dbraw/zinc/45/07/08/556450708.db2.gz PUSLXVULACMMEF-XMMPIXPASA-N 1 0 446.591 5.490 50 0 IKAARO Cc1ccc(C)c(C[NH+]2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)c1 ZINC000014962826 556464643 /nfs/dbraw/zinc/46/46/43/556464643.db2.gz WZLJAGVDKWMBGD-UHFFFAOYSA-N 1 0 430.596 5.298 50 0 IKAARO C/C=C(\C)C[NH+]1CCC(c2nnc(SCc3ccc(F)cc3)n2C[C@H]2CCCO2)CC1 ZINC000014966331 556465678 /nfs/dbraw/zinc/46/56/78/556465678.db2.gz BNAIMRIFOVURAN-GERYVEDWSA-N 1 0 444.620 5.034 50 0 IKAARO COc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)c(C)c1 ZINC000014969334 556466486 /nfs/dbraw/zinc/46/64/86/556466486.db2.gz JCYDMXODECTNIT-FQEVSTJZSA-N 1 0 429.992 5.075 50 0 IKAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000014975128 556468131 /nfs/dbraw/zinc/46/81/31/556468131.db2.gz RPXGXNUBZLJAFY-UHFFFAOYSA-N 1 0 430.470 5.850 50 0 IKAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc(C3CCCCC3)s2)CC1)c1cccnc1 ZINC000014979795 556470224 /nfs/dbraw/zinc/47/02/24/556470224.db2.gz CAGLKUPRTGGRSG-UHFFFAOYSA-N 1 0 449.624 5.477 50 0 IKAARO OCC1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000014980553 556470553 /nfs/dbraw/zinc/47/05/53/556470553.db2.gz HTGZMTABAHLJHV-UHFFFAOYSA-N 1 0 431.420 5.541 50 0 IKAARO C[N@H+](Cc1ccc(OCCNC(=O)c2cccs2)cc1)Cc1cccc2ccccc21 ZINC000014981443 556470961 /nfs/dbraw/zinc/47/09/61/556470961.db2.gz CQYQKYFTUDRWEM-UHFFFAOYSA-N 1 0 430.573 5.342 50 0 IKAARO Cc1ccc(C(=O)NC[C@H](C)Oc2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)s1 ZINC000014983900 556471630 /nfs/dbraw/zinc/47/16/30/556471630.db2.gz JFQVPPAAYOIONZ-FQEVSTJZSA-N 1 0 448.632 5.633 50 0 IKAARO O=C1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)Cc3ccccc3-4)CC[C@@H]2N1Cc1cccc(F)c1 ZINC000014997414 556478216 /nfs/dbraw/zinc/47/82/16/556478216.db2.gz UKQYZPVOYWXZRW-LXFBAYGMSA-N 1 0 440.562 5.410 50 0 IKAARO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[NH2+]C2CCCCC2)cc1 ZINC000013146602 556488734 /nfs/dbraw/zinc/48/87/34/556488734.db2.gz AZLIJBXIYNQDQZ-HHHXNRCGSA-N 1 0 441.575 5.448 50 0 IKAARO c1nn(-c2ccccc2)cc1CN(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000015070095 556494967 /nfs/dbraw/zinc/49/49/67/556494967.db2.gz OMTSSEJSSUJRNM-RUZDIDTESA-N 1 0 443.639 5.314 50 0 IKAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+]([C@@H](C)Cc2cc(C)ccn2)CC1 ZINC000015072905 556497228 /nfs/dbraw/zinc/49/72/28/556497228.db2.gz CJJJPTQWCVUPDN-IBGZPJMESA-N 1 0 448.529 5.228 50 0 IKAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3c[nH]nc3C3CCCCC3)C2)c(C)c1 ZINC000015074144 556497996 /nfs/dbraw/zinc/49/79/96/556497996.db2.gz ABOIHPSOYKEEQF-FQEVSTJZSA-N 1 0 438.616 5.405 50 0 IKAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccccc2SCc2cscn2)cc1 ZINC000030800602 556506134 /nfs/dbraw/zinc/50/61/34/556506134.db2.gz GBIVETXOAQELOK-UHFFFAOYSA-N 1 0 425.623 5.207 50 0 IKAARO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)c1cc2c(C)nn(C)c2s1 ZINC000072294363 556507489 /nfs/dbraw/zinc/50/74/89/556507489.db2.gz NPWGJQMESVSDAY-CTXDPNEZSA-N 1 0 430.662 5.227 50 0 IKAARO CSc1nc2c3c4c(c(-c5ccccc5)nc3sc2c(NCCC[NH+](C)C)n1)CCC4 ZINC000013512573 556510804 /nfs/dbraw/zinc/51/08/04/556510804.db2.gz DOEGEWYHPWGLOJ-UHFFFAOYSA-N 1 0 449.649 5.481 50 0 IKAARO CC[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000072303034 556547515 /nfs/dbraw/zinc/54/75/15/556547515.db2.gz RDJBNNMAGAXSBV-HXUWFJFHSA-N 1 0 437.971 5.051 50 0 IKAARO CC1CC[NH+]([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2cccs2)CC1 ZINC000015859990 556558387 /nfs/dbraw/zinc/55/83/87/556558387.db2.gz IUFCJZDRHZTBAO-IBGZPJMESA-N 1 0 429.973 5.260 50 0 IKAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)c1cc(-c2ccc3c(c2)CCCC3)on1 ZINC000015859975 556558493 /nfs/dbraw/zinc/55/84/93/556558493.db2.gz HJRHFUZWAIIANN-QHCPKHFHSA-N 1 0 449.620 5.629 50 0 IKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 ZINC000015946385 556567380 /nfs/dbraw/zinc/56/73/80/556567380.db2.gz JACKSZJIJSXWCP-FQEVSTJZSA-N 1 0 427.957 5.857 50 0 IKAARO CCC[NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CC[C@@H](C(C)(C)C)C2 ZINC000015946738 556567812 /nfs/dbraw/zinc/56/78/12/556567812.db2.gz DDJKJUJZGZWOMY-QGZVFWFLSA-N 1 0 441.641 5.398 50 0 IKAARO Cc1cc(C(C)(C)C)cc(C)c1C[n+]1c2cc(C(F)(F)F)ccc2n2c1CCCCC2 ZINC000015953013 556569047 /nfs/dbraw/zinc/56/90/47/556569047.db2.gz LRIGNUODMUQSFM-UHFFFAOYSA-N 1 0 429.550 6.637 50 0 IKAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc3oc(C)c(-c4ccccc4)c3cc2OC)C1 ZINC000022077681 556577843 /nfs/dbraw/zinc/57/78/43/556577843.db2.gz GTLYIXATMVSPGU-NRFANRHFSA-N 1 0 434.580 5.497 50 0 IKAARO O=C(CC[C@H]1CCC[N@@H+](C2CCN(c3ccccc3)CC2)C1)NCc1ccccc1Cl ZINC000039531350 556579582 /nfs/dbraw/zinc/57/95/82/556579582.db2.gz VZEXJKHMNXLUPI-OAQYLSRUSA-N 1 0 440.031 5.117 50 0 IKAARO O=C(CC[C@@H]1CCC[N@@H+](C2CCN(c3ccccc3)CC2)C1)NCc1ccccc1Cl ZINC000039531353 556579685 /nfs/dbraw/zinc/57/96/85/556579685.db2.gz VZEXJKHMNXLUPI-NRFANRHFSA-N 1 0 440.031 5.117 50 0 IKAARO COc1cccc(C(=O)N2C[C@@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000034698014 556580883 /nfs/dbraw/zinc/58/08/83/556580883.db2.gz LCZXMNMMXCACPL-NFBKMPQASA-N 1 0 446.513 5.056 50 0 IKAARO CC[N@@H+]1CCC[C@H]1CN[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000034719602 556581543 /nfs/dbraw/zinc/58/15/43/556581543.db2.gz SUMBPUAQPZQJBA-PXNSSMCTSA-N 1 0 439.909 5.113 50 0 IKAARO CCOc1ccc([C@@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004584092 556587055 /nfs/dbraw/zinc/58/70/55/556587055.db2.gz NPCXGPLIJVVWJP-VMPREFPWSA-N 1 0 429.604 5.785 50 0 IKAARO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000016196323 556590644 /nfs/dbraw/zinc/59/06/44/556590644.db2.gz SRZLJPFFQRBTIR-UHFFFAOYSA-N 1 0 446.330 5.600 50 0 IKAARO CCOc1ccc([C@@](O)(Cc2ccccc2)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004584095 556590699 /nfs/dbraw/zinc/59/06/99/556590699.db2.gz NPCXGPLIJVVWJP-WDYNHAJCSA-N 1 0 429.604 5.785 50 0 IKAARO O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000016276164 556596534 /nfs/dbraw/zinc/59/65/34/556596534.db2.gz AIIAZNGHWVGDIG-UHFFFAOYSA-N 1 0 444.884 6.169 50 0 IKAARO Cc1ccc(C(=O)N2CCCCC2)c(C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)n1 ZINC000037554733 556604787 /nfs/dbraw/zinc/60/47/87/556604787.db2.gz RLGMVQJOJWVLRH-UHFFFAOYSA-N 1 0 445.529 5.415 50 0 IKAARO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000016525989 556614385 /nfs/dbraw/zinc/61/43/85/556614385.db2.gz DAMFWDJPOJCRKN-UHFFFAOYSA-N 1 0 431.919 6.091 50 0 IKAARO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000016525983 556614424 /nfs/dbraw/zinc/61/44/24/556614424.db2.gz HCLKBADWQDTYCJ-UHFFFAOYSA-N 1 0 431.919 6.091 50 0 IKAARO CCOc1cc(C[NH2+]C2CCCCC2)cc(Br)c1OCc1ccccc1F ZINC000016688711 556626727 /nfs/dbraw/zinc/62/67/27/556626727.db2.gz NIVAQUVPRMSGIA-UHFFFAOYSA-N 1 0 436.365 5.988 50 0 IKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000005043260 556626748 /nfs/dbraw/zinc/62/67/48/556626748.db2.gz HUCNIQNWHZLKDT-IIBYNOLFSA-N 1 0 429.992 5.210 50 0 IKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)NC2CCC(C)CC2)CC1 ZINC000005043237 556626814 /nfs/dbraw/zinc/62/68/14/556626814.db2.gz NVWSHYFENFTLHT-UHFFFAOYSA-N 1 0 429.992 5.210 50 0 IKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@H](C(=O)NC2CCCCCC2)C1 ZINC000005044141 556627139 /nfs/dbraw/zinc/62/71/39/556627139.db2.gz YWGHDLAHDZQWFG-IBGZPJMESA-N 1 0 429.992 5.354 50 0 IKAARO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCc4ccc(C)cc4)CC3)c(C)o2)cc1 ZINC000005043545 556627163 /nfs/dbraw/zinc/62/71/63/556627163.db2.gz LGJBEVRWZGCRSB-UHFFFAOYSA-N 1 0 431.580 5.049 50 0 IKAARO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)NC4CCCCCCC4)C3)c(C)o2)cc1 ZINC000005055892 556627576 /nfs/dbraw/zinc/62/75/76/556627576.db2.gz CNRSWHKAKMCBJK-HSZRJFAPSA-N 1 0 437.628 5.654 50 0 IKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](C(=O)NC2CCCCCC2)C1 ZINC000005056189 556628002 /nfs/dbraw/zinc/62/80/02/556628002.db2.gz AFCDIWFPIZGVAJ-IBGZPJMESA-N 1 0 429.992 5.354 50 0 IKAARO COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000005091953 556633514 /nfs/dbraw/zinc/63/35/14/556633514.db2.gz WOSIRNLEJAAQTM-OAQYLSRUSA-N 1 0 425.960 5.093 50 0 IKAARO COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3ccccc3Cl)C[C@@H]21 ZINC000005091728 556633697 /nfs/dbraw/zinc/63/36/97/556633697.db2.gz NXPJETGVRHQEDV-NRFANRHFSA-N 1 0 425.960 5.093 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005093850 556633913 /nfs/dbraw/zinc/63/39/13/556633913.db2.gz DUIQVZMYHHJIOJ-OAQYLSRUSA-N 1 0 425.960 5.094 50 0 IKAARO Cc1ccsc1C[N@H+]1C[C@@H](CN(C(=O)c2ccccc2)C(C)C)[C@H](c2ccccc2C)C1 ZINC000247974553 556653713 /nfs/dbraw/zinc/65/37/13/556653713.db2.gz FGWTXUFTMJQVOO-AZGAKELHSA-N 1 0 446.660 6.131 50 0 IKAARO Cc1cc(C[N@H+]2C[C@@H](CN(C(=O)c3ccccc3)C(C)C)[C@H](c3ccccc3C)C2)oc1C ZINC000248018565 556657539 /nfs/dbraw/zinc/65/75/39/556657539.db2.gz TXZOYSCXCOPWJM-LBNVMWSVSA-N 1 0 444.619 5.971 50 0 IKAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)C1 ZINC000248063131 556660310 /nfs/dbraw/zinc/66/03/10/556660310.db2.gz DIMMTJPZPIAQTM-LMMKCTJWSA-N 1 0 433.625 5.084 50 0 IKAARO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000043005001 556660797 /nfs/dbraw/zinc/66/07/97/556660797.db2.gz XZQQWSCOYRNXPN-SFHVURJKSA-N 1 0 445.485 5.492 50 0 IKAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000043005005 556660902 /nfs/dbraw/zinc/66/09/02/556660902.db2.gz XZQQWSCOYRNXPN-GOSISDBHSA-N 1 0 445.485 5.492 50 0 IKAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 ZINC000043125058 556661168 /nfs/dbraw/zinc/66/11/68/556661168.db2.gz QQJULMBGCKMTGL-QGZVFWFLSA-N 1 0 441.959 5.136 50 0 IKAARO CC[NH+](CC)CC[C@@]1(c2ccccc2)c2ccccc2N(N(C)Cc2ccc(F)cc2)C1=O ZINC000044124947 556666154 /nfs/dbraw/zinc/66/61/54/556666154.db2.gz MMDSDBWZDRJFML-MUUNZHRXSA-N 1 0 445.582 5.237 50 0 IKAARO O=C1C2[C@H](c3ccccc3)N[C@H](c3ccccc3)C1[C@@H](c1ccccc1)[NH2+][C@H]2c1ccccc1 ZINC000044544527 556667074 /nfs/dbraw/zinc/66/70/74/556667074.db2.gz ITTQAMYBEGYMAS-FTHDWXFLSA-N 1 0 444.578 5.960 50 0 IKAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc(F)cc2)CC1)Nc1ccccc1Cl ZINC000011951667 556676537 /nfs/dbraw/zinc/67/65/37/556676537.db2.gz KKQUCVNADUKOBY-UHFFFAOYSA-N 1 0 427.911 5.157 50 0 IKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccco2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248256723 556677648 /nfs/dbraw/zinc/67/76/48/556677648.db2.gz UZLQUDHJFTYUQQ-BVAGGSTKSA-N 1 0 434.555 5.433 50 0 IKAARO Cc1ccc(-c2nccc(Nc3cccc(C(=O)NCCC[NH+]4CCC(C)CC4)c3)n2)cc1 ZINC000033025303 556699859 /nfs/dbraw/zinc/69/98/59/556699859.db2.gz UBLIIHFIOLJVGX-UHFFFAOYSA-N 1 0 443.595 5.047 50 0 IKAARO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036833 556719673 /nfs/dbraw/zinc/71/96/73/556719673.db2.gz UDTKAEALYZYEOO-UHFFFAOYSA-N 1 0 427.523 5.211 50 0 IKAARO Cc1nn2c(nc(C(C)C)cc2N2CC[NH+](Cc3ccccc3)CC2)c1-c1ccccc1 ZINC000054284481 556729709 /nfs/dbraw/zinc/72/97/09/556729709.db2.gz LIZCZLDTJYIXBT-UHFFFAOYSA-N 1 0 425.580 5.150 50 0 IKAARO CCOC(=O)c1c2cc(O)c(Br)cc2n(C2CCCCC2)c1C[NH+]1CCCC1 ZINC000005222223 556743661 /nfs/dbraw/zinc/74/36/61/556743661.db2.gz HKHYEHXGYQSAQD-UHFFFAOYSA-N 1 0 449.389 5.387 50 0 IKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4ccc5ccccc5c4)CC3)ccc21 ZINC000019369765 556747391 /nfs/dbraw/zinc/74/73/91/556747391.db2.gz VNPXOFVVKBCCDJ-UHFFFAOYSA-N 1 0 433.599 6.285 50 0 IKAARO Clc1ccc(CNc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c(Cl)c1 ZINC000057527373 556748039 /nfs/dbraw/zinc/74/80/39/556748039.db2.gz FGWFMYJEUCEYIC-UHFFFAOYSA-N 1 0 426.391 5.928 50 0 IKAARO COc1ccc([C@@H]2[NH2+]C[C@@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000083975917 556748738 /nfs/dbraw/zinc/74/87/38/556748738.db2.gz MIBRBZIHVIFGLP-DFBJGRDBSA-N 1 0 444.531 5.027 50 0 IKAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1[nH]c2ccc(Br)cc2c1Cl ZINC000058118658 556759515 /nfs/dbraw/zinc/75/95/15/556759515.db2.gz HEYZUNWQXCDTID-UHFFFAOYSA-N 1 0 432.749 5.432 50 0 IKAARO CCOc1cc(C[NH2+]CC[C@@H](c2ccc(OC(C)C)cc2)C2CCCCC2)ccc1OC ZINC000005321931 556766834 /nfs/dbraw/zinc/76/68/34/556766834.db2.gz FDYPZVDNWMLOJW-AREMUKBSSA-N 1 0 439.640 6.725 50 0 IKAARO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+]C[C@@H](c2cccs2)c2c[nH]c3ccccc32)c1C ZINC000058175566 556769395 /nfs/dbraw/zinc/76/93/95/556769395.db2.gz KFLIWZASLSTNTD-OXQOHEQNSA-N 1 0 433.577 5.370 50 0 IKAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000058196991 556770723 /nfs/dbraw/zinc/77/07/23/556770723.db2.gz BHGSPNTVRZXXMN-HXUWFJFHSA-N 1 0 438.999 5.155 50 0 IKAARO C[N@@H+](Cc1cccc(Cl)c1Cl)Cn1ccc(=O)c2cccc(Br)c21 ZINC000058377550 556783724 /nfs/dbraw/zinc/78/37/24/556783724.db2.gz FWJRFWNZJHLRBP-UHFFFAOYSA-N 1 0 426.141 5.160 50 0 IKAARO CCCCCc1ccc(OCCCC[N@@H+]2CCc3c(ncn3C)C2)c(CCCCC)c1 ZINC000005397764 556793279 /nfs/dbraw/zinc/79/32/79/556793279.db2.gz BEBYTTNNHUSWQF-UHFFFAOYSA-N 1 0 425.661 6.103 50 0 IKAARO CC(C)Oc1ccc([C@@H](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)c2ccc(F)cc2)cc1 ZINC000005501234 556820089 /nfs/dbraw/zinc/82/00/89/556820089.db2.gz HWPUVKJLWUXEAN-SIBVEZHUSA-N 1 0 425.975 7.139 50 0 IKAARO C(\c1ccccc1)=C1\CCC[C@@H]2[C@@H](c3ccccc3)C3=C(CCCC3)O[C@@]12[NH+]1CCCC1 ZINC000063603940 556821503 /nfs/dbraw/zinc/82/15/03/556821503.db2.gz IJXXRBRQXUPTCZ-QNNATRIOSA-N 1 0 425.616 7.304 50 0 IKAARO COc1cccc(-c2nc3c(OC)ccc(OC)c3cc2C[NH2+][C@@H](C)c2cccs2)c1 ZINC000064002434 556822359 /nfs/dbraw/zinc/82/23/59/556822359.db2.gz QKILCHVJMQUPEX-INIZCTEOSA-N 1 0 434.561 5.840 50 0 IKAARO c1cnn(-c2cccc(CN(Cc3cccnc3)C[C@@H]3CCC[N@@H+](C4CCCCC4)C3)c2)c1 ZINC000067846710 556847372 /nfs/dbraw/zinc/84/73/72/556847372.db2.gz DNYQGOODPLIZLG-SANMLTNESA-N 1 0 443.639 5.314 50 0 IKAARO COc1ccc(CN2C(=O)c3ccccc3[C@@H]2[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004676896 556872819 /nfs/dbraw/zinc/87/28/19/556872819.db2.gz CPLKMMGVQMTAPZ-LUBZPXDRSA-N 1 0 430.592 5.544 50 0 IKAARO COc1ccc(CNc2[nH+]cc(-c3ccc(C)c(C)c3)n2C)cc1OCc1ccccc1 ZINC000004678996 556873926 /nfs/dbraw/zinc/87/39/26/556873926.db2.gz NBYSXFFVDARNMW-UHFFFAOYSA-N 1 0 427.548 5.904 50 0 IKAARO O=C(C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1)N1CCc2ccccc2C1 ZINC000004689704 556881805 /nfs/dbraw/zinc/88/18/05/556881805.db2.gz DJYMELAHZNPNKP-UHFFFAOYSA-N 1 0 426.560 5.276 50 0 IKAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000004700407 556887235 /nfs/dbraw/zinc/88/72/35/556887235.db2.gz ZOLLOIOFMNJGQR-UHFFFAOYSA-N 1 0 428.576 5.102 50 0 IKAARO Cc1cccc(-c2cc(Nc3cccc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)c3)ncn2)c1 ZINC000033260950 556897630 /nfs/dbraw/zinc/89/76/30/556897630.db2.gz IOLGBRKLLUWMDL-OAQYLSRUSA-N 1 0 443.595 5.190 50 0 IKAARO Cc1ccc(CSCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000019800362 556917445 /nfs/dbraw/zinc/91/74/45/556917445.db2.gz BWBPBZDKXWVZSS-UHFFFAOYSA-N 1 0 430.617 5.217 50 0 IKAARO Nc1c(Cl)cc([C@H](O)C[NH2+][C@@H]2c3ccccc3CSc3ccccc32)cc1Cl ZINC000019801899 556917668 /nfs/dbraw/zinc/91/76/68/556917668.db2.gz JQXZAVXODXQBDJ-DENIHFKCSA-N 1 0 431.388 5.594 50 0 IKAARO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cc4c(cc3Cl)OCO4)C2)c(F)c1 ZINC000019838968 556929118 /nfs/dbraw/zinc/92/91/18/556929118.db2.gz NSGANBICGBUAJI-CYBMUJFWSA-N 1 0 431.870 5.117 50 0 IKAARO CCCCCOc1ccc([C@](O)(CC(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000019851224 556930576 /nfs/dbraw/zinc/93/05/76/556930576.db2.gz FVWAVGXBYNLLFE-WUFINQPMSA-N 1 0 439.640 5.605 50 0 IKAARO CCCCCOc1ccc([C@@](O)(C(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000019851247 556930941 /nfs/dbraw/zinc/93/09/41/556930941.db2.gz NMTSUZDLHHSAJZ-SVBPBHIXSA-N 1 0 425.613 5.215 50 0 IKAARO CC1(C)Cc2c3c(ncn4nc(COc5cccc6ccccc65)nc34)sc2C(C)(C)[NH2+]1 ZINC000019854909 556931163 /nfs/dbraw/zinc/93/11/63/556931163.db2.gz CGIYSLITXZCPEY-UHFFFAOYSA-N 1 0 443.576 5.231 50 0 IKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(COc2ccccc2F)c1 ZINC000019904804 556942298 /nfs/dbraw/zinc/94/22/98/556942298.db2.gz LMZXBJCNZMYJRY-VWLOTQADSA-N 1 0 432.495 5.138 50 0 biogenic IKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC)c(COc2ccccc2F)c1 ZINC000019904802 556942402 /nfs/dbraw/zinc/94/24/02/556942402.db2.gz LMZXBJCNZMYJRY-RUZDIDTESA-N 1 0 432.495 5.138 50 0 biogenic IKAARO Cc1ccccc1CSCCNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020036837 556970546 /nfs/dbraw/zinc/97/05/46/556970546.db2.gz IJGLKMSKVDPCAD-UHFFFAOYSA-N 1 0 430.617 5.217 50 0 IKAARO Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc1CC2 ZINC000033266760 556978039 /nfs/dbraw/zinc/97/80/39/556978039.db2.gz JTSXWFJUTIWCKJ-SFHVURJKSA-N 1 0 448.636 5.002 50 0 IKAARO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccc(OC)cc3)csc2n1 ZINC000033268806 556986136 /nfs/dbraw/zinc/98/61/36/556986136.db2.gz CBYAKKQEOXRGQK-UHFFFAOYSA-N 1 0 439.968 5.107 50 0 IKAARO CC1=C(C)[C@@H](OC2CC[NH+](Cc3ccccc3)CC2)N(CCc2ccc(Cl)cc2)C1=O ZINC000020146041 556990673 /nfs/dbraw/zinc/99/06/73/556990673.db2.gz PZOBURSZJVEHCU-AREMUKBSSA-N 1 0 438.999 5.068 50 0 IKAARO COc1ccc2c(c1)[nH]c1c2ncnc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020332560 557008477 /nfs/dbraw/zinc/00/84/77/557008477.db2.gz BCVGZWGOZJGMDJ-UHFFFAOYSA-N 1 0 449.558 5.031 50 0 IKAARO Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023128054 557012048 /nfs/dbraw/zinc/01/20/48/557012048.db2.gz IDUVQKVDAVMGKZ-UHFFFAOYSA-N 1 0 429.973 5.007 50 0 IKAARO O=C(C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1)N1CCCCCC1 ZINC000046055922 557027791 /nfs/dbraw/zinc/02/77/91/557027791.db2.gz WFEUHZSLRTVZPB-UHFFFAOYSA-N 1 0 447.598 5.443 50 0 IKAARO CC[NH+](CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2c(cc(F)cc2F)s1 ZINC000017287568 557045225 /nfs/dbraw/zinc/04/52/25/557045225.db2.gz WRZNYSKVIQOGNW-UHFFFAOYSA-N 1 0 443.563 5.442 50 0 IKAARO COc1cc(C[NH2+]C[C@H](c2cccs2)N2CCCC2)ccc1OCc1cccs1 ZINC000022933701 557051085 /nfs/dbraw/zinc/05/10/85/557051085.db2.gz QQEPEIVRONVDIH-HXUWFJFHSA-N 1 0 428.623 5.324 50 0 IKAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000048286840 557052915 /nfs/dbraw/zinc/05/29/15/557052915.db2.gz AKQDKRQQYNFANV-IBGZPJMESA-N 1 0 426.517 5.033 50 0 IKAARO Cc1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000023078900 557062415 /nfs/dbraw/zinc/06/24/15/557062415.db2.gz FVYHQKURYYLGOH-UHFFFAOYSA-N 1 0 435.571 5.605 50 0 IKAARO CCC[NH+](CCC)CCCNC(=O)c1cnc(Nc2ccccc2OC)c2ccccc12 ZINC000004760943 557092043 /nfs/dbraw/zinc/09/20/43/557092043.db2.gz HZJLYDZZFYQJCO-UHFFFAOYSA-N 1 0 434.584 5.229 50 0 IKAARO CN(Cc1cccs1)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000023505117 557095283 /nfs/dbraw/zinc/09/52/83/557095283.db2.gz PTMUJFKSEIKTHV-UHFFFAOYSA-N 1 0 434.605 5.106 50 0 IKAARO O=S(=O)(N[C@H](C[NH2+]C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000023634590 557101864 /nfs/dbraw/zinc/10/18/64/557101864.db2.gz YVIDMNAOVNPKEF-AREMUKBSSA-N 1 0 442.584 5.085 50 0 IKAARO O=C(NC1CCCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000049535987 557110530 /nfs/dbraw/zinc/11/05/30/557110530.db2.gz HFYHMPPMQUPNSH-UHFFFAOYSA-N 1 0 447.598 5.490 50 0 IKAARO O=C(NC1CCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000049535980 557110608 /nfs/dbraw/zinc/11/06/08/557110608.db2.gz YJZWDMRUAVYXJL-UHFFFAOYSA-N 1 0 433.571 5.100 50 0 IKAARO C(\c1ccccc1)=C1\CCC[C@@H]2[C@H](c3ccccc3)C3=C(CCCC3)O[C@@]12[NH+]1CCCC1 ZINC000215681625 557134674 /nfs/dbraw/zinc/13/46/74/557134674.db2.gz IJXXRBRQXUPTCZ-DAFSRTLASA-N 1 0 425.616 7.304 50 0 IKAARO COc1cc(C)c(C[NH2+]C[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)cc1C ZINC000016949685 557158375 /nfs/dbraw/zinc/15/83/75/557158375.db2.gz VMJLCNHZCSRTJT-NGDRWEMDSA-N 1 0 433.680 7.236 50 0 IKAARO O[C@]1(C(F)(F)F)C2=C(CC[C@H](c3ccccc3)C2)[NH2+]N1c1nc(-c2ccccc2)cs1 ZINC000016957516 557158859 /nfs/dbraw/zinc/15/88/59/557158859.db2.gz YEJCZMYYHNDOTN-SPEDKVCISA-N 1 0 443.494 5.821 50 0 IKAARO Clc1cc(CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c2c(c1)COCO2 ZINC000095725779 557160280 /nfs/dbraw/zinc/16/02/80/557160280.db2.gz UAEWNUKFNODNSO-UHFFFAOYSA-N 1 0 432.951 5.094 50 0 IKAARO C[C@](O)(c1ccccc1Cl)[C@@H](c1ccc(OCC[NH+]2CCCC2)cc1)c1ccccn1 ZINC000095918062 557161265 /nfs/dbraw/zinc/16/12/65/557161265.db2.gz HFTLWXIJZPQFAT-UIOOFZCWSA-N 1 0 436.983 5.249 50 0 IKAARO Fc1ccc(OC2=CC[N@H+](C[C@H]3COC(c4ccccc4)(c4ccccc4)O3)CC2)cc1 ZINC000095918258 557161566 /nfs/dbraw/zinc/16/15/66/557161566.db2.gz FYZQRYJEDDUFJB-SANMLTNESA-N 1 0 431.507 5.111 50 0 IKAARO COc1ccccc1OC1=CC[N@H+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000095918158 557161697 /nfs/dbraw/zinc/16/16/97/557161697.db2.gz NUKWXOMZOQQNJY-UHFFFAOYSA-N 1 0 449.541 6.554 50 0 IKAARO C[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1cccs1 ZINC000024751725 557162655 /nfs/dbraw/zinc/16/26/55/557162655.db2.gz ZPMRYJQTAZCQIX-CQSZACIVSA-N 1 0 447.482 5.309 50 0 IKAARO C[C@@]1(CCc2ccccc2)[NH2+]C[C@@H](c2ccc(Cl)cc2Cl)c2c3ccccc3[nH]c21 ZINC000025480328 557211867 /nfs/dbraw/zinc/21/18/67/557211867.db2.gz BHMUOSZNNXHPOJ-LVXARBLLSA-N 1 0 435.398 7.058 50 0 IKAARO C[C@]1(CCc2ccccc2)[NH2+]C[C@H](c2ccc(Cl)cc2Cl)c2c3ccccc3[nH]c21 ZINC000025480338 557211961 /nfs/dbraw/zinc/21/19/61/557211961.db2.gz BHMUOSZNNXHPOJ-QFQXNSOFSA-N 1 0 435.398 7.058 50 0 IKAARO COc1cccc([C@H]2C[NH2+][C@@H](c3ccc(SC)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000025480344 557212167 /nfs/dbraw/zinc/21/21/67/557212167.db2.gz YUWKNXAQUIIHLZ-YKSBVNFPSA-N 1 0 430.573 5.732 50 0 IKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023316038 557214535 /nfs/dbraw/zinc/21/45/35/557214535.db2.gz AJTURDGWMCWAPP-SFHVURJKSA-N 1 0 436.987 5.391 50 0 IKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023316035 557214588 /nfs/dbraw/zinc/21/45/88/557214588.db2.gz AJTURDGWMCWAPP-GOSISDBHSA-N 1 0 436.987 5.391 50 0 IKAARO COc1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccc1OCc1ccccc1Cl ZINC000025573135 557215401 /nfs/dbraw/zinc/21/54/01/557215401.db2.gz ICGZIGYWMGKWBQ-IBGZPJMESA-N 1 0 444.984 5.022 50 0 IKAARO CCOc1cc([C@H]2[NH2+]C[C@@H](c3ccccc3)c3c4ccccc4[nH]c32)ccc1OCC(C)C ZINC000025719464 557223276 /nfs/dbraw/zinc/22/32/76/557223276.db2.gz OTJQJEUYFTUZQO-NEKDWFFYSA-N 1 0 440.587 6.426 50 0 IKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000025762615 557224917 /nfs/dbraw/zinc/22/49/17/557224917.db2.gz KXAAKWTUJRULDI-NRFANRHFSA-N 1 0 430.379 5.737 50 0 IKAARO Nc1c2c([nH+]c3c1CCCCC3)n(Cc1ccco1)c(-c1ccccc1)c2-c1ccccc1 ZINC000018285682 557255940 /nfs/dbraw/zinc/25/59/40/557255940.db2.gz WRDDRYBEIPKMBW-UHFFFAOYSA-N 1 0 433.555 6.863 50 0 IKAARO CCCC[NH+](CCCC)CN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O ZINC000027471669 557262526 /nfs/dbraw/zinc/26/25/26/557262526.db2.gz YRNFJXBKRPJEDW-LGMDPLHJSA-N 1 0 425.392 5.345 50 0 IKAARO CCC[N@H+](CCc1c[nH]c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc12)CC1CC1 ZINC000023322609 557276216 /nfs/dbraw/zinc/27/62/16/557276216.db2.gz OYFRPFMLXNRADM-UHFFFAOYSA-N 1 0 444.406 6.392 50 0 IKAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023329326 557339055 /nfs/dbraw/zinc/33/90/55/557339055.db2.gz JPOIPNLXNVALCT-GOSISDBHSA-N 1 0 443.378 5.265 50 0 IKAARO COc1cccc(-c2cc(-c3ccc(C(=O)NC4CC(C)(C)[NH+](C)C(C)(C)C4)cc3)[nH]n2)c1 ZINC000023331871 557343952 /nfs/dbraw/zinc/34/39/52/557343952.db2.gz CGMCKFPUICNDPC-UHFFFAOYSA-N 1 0 446.595 5.134 50 0 IKAARO Cc1ccccc1OCc1n(C)c2ccccc2[n+]1CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000102581642 557355413 /nfs/dbraw/zinc/35/54/13/557355413.db2.gz OHZBSGJYECCCNY-LIXHSBQKSA-N 1 0 449.615 5.357 50 0 IKAARO Cc1ccccc1OCc1n(C)c2ccccc2[n+]1CC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000102581645 557355565 /nfs/dbraw/zinc/35/55/65/557355565.db2.gz OHZBSGJYECCCNY-WDZJFXIESA-N 1 0 449.615 5.357 50 0 IKAARO CC(C)[C@@H]1CC(CC[NH2+]Cc2ccc3c(c2)OCO3)(c2ccc(F)cc2)C[C@@H](C(C)C)O1 ZINC000524734857 557370759 /nfs/dbraw/zinc/37/07/59/557370759.db2.gz FPOYKKRDKDJKOG-UIOOFZCWSA-N 1 0 441.587 5.832 50 0 IKAARO CC(C)[C@H]1C[C@](CC[NH2+]Cc2ccc3c(c2)OCO3)(c2ccc(F)cc2)C[C@@H](C(C)C)O1 ZINC000524734858 557371190 /nfs/dbraw/zinc/37/11/90/557371190.db2.gz FPOYKKRDKDJKOG-UQWUFBTJSA-N 1 0 441.587 5.832 50 0 IKAARO COc1ccccc1Nc1c2cc(NC(=O)Cc3cccs3)ccc2[nH+]c2c1CCCC2 ZINC000100290045 557398306 /nfs/dbraw/zinc/39/83/06/557398306.db2.gz BNABKONQPGJEKA-UHFFFAOYSA-N 1 0 443.572 6.109 50 0 IKAARO COc1ccc([C@H](OC(=O)c2ccccc2)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004907659 557403455 /nfs/dbraw/zinc/40/34/55/557403455.db2.gz QMRXCZLRIJZFBK-SVBPBHIXSA-N 1 0 429.560 5.863 50 0 IKAARO CC(=O)N(Cc1ccc(F)cc1)C[C@H]1C[N@H+](Cc2ccc(C)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000105042919 557459171 /nfs/dbraw/zinc/45/91/71/557459171.db2.gz AGZRYJRNGBYATC-XRKRLSELSA-N 1 0 444.594 5.707 50 0 IKAARO CC(=O)N(Cc1ccc(F)cc1)C[C@@H]1C[N@H+](Cc2ccc(C)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000169677835 557460596 /nfs/dbraw/zinc/46/05/96/557460596.db2.gz AGZRYJRNGBYATC-LMSSTIIKSA-N 1 0 444.594 5.707 50 0 IKAARO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc[nH]2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000105042022 557473510 /nfs/dbraw/zinc/47/35/10/557473510.db2.gz XPMZOHXHEZSRQC-NVQXNPDNSA-N 1 0 433.571 5.229 50 0 IKAARO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccsc2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000105041770 557473529 /nfs/dbraw/zinc/47/35/29/557473529.db2.gz JTQNFLGWCQNANH-AHWVRZQESA-N 1 0 432.633 5.823 50 0 IKAARO Cc1ccc(C[N@H+]2C[C@H](CN(C(=O)c3ccccc3)C(C)C)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000105042536 557473576 /nfs/dbraw/zinc/47/35/76/557473576.db2.gz GKXFADCWXQLVNI-FQLXRVMXSA-N 1 0 440.631 6.070 50 0 IKAARO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccco2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000105042014 557473635 /nfs/dbraw/zinc/47/36/35/557473635.db2.gz RYCIYFBAXZVXOO-NVQXNPDNSA-N 1 0 434.555 5.494 50 0 IKAARO Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3cc(Cl)sc3Cl)sc2c(C)c1 ZINC000012140827 557528241 /nfs/dbraw/zinc/52/82/41/557528241.db2.gz UQMCSMWWZQEARQ-UHFFFAOYSA-N 1 0 428.410 5.490 50 0 IKAARO O=C(Nc1ccc(C(=O)OC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1)c1ccc(Cl)cc1 ZINC000224056263 557552693 /nfs/dbraw/zinc/55/26/93/557552693.db2.gz ASTJQGWCDYKJKV-KNQAVFIVSA-N 1 0 426.944 5.014 50 0 IKAARO C[NH+](C)[C@H](CNC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1ccsc1 ZINC000040071013 557684312 /nfs/dbraw/zinc/68/43/12/557684312.db2.gz WBWQUMDJBIJFSS-BWKNWUBXSA-N 1 0 449.645 5.277 50 0 IKAARO CC(C)n1c(C(=O)N2CCC(F)(F)CC2)cc2cc(OC3CC[NH+](C(C)C)CC3)ccc21 ZINC000040428795 557727699 /nfs/dbraw/zinc/72/76/99/557727699.db2.gz DXBRVISEKVIIAR-UHFFFAOYSA-N 1 0 447.570 5.345 50 0 in-vivo IKAARO O=C(Nc1cccc(C[NH2+]C[C@H](c2cccs2)N2CCCC2)c1)c1ccccc1Cl ZINC000024981473 557822237 /nfs/dbraw/zinc/82/22/37/557822237.db2.gz RFLKNHGOPZVHLK-JOCHJYFZSA-N 1 0 440.012 5.581 50 0 IKAARO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000001671998 557835842 /nfs/dbraw/zinc/83/58/42/557835842.db2.gz XZINJFBYGWCMQT-VWLOTQADSA-N 1 0 445.434 7.144 50 0 IKAARO CCCCC[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC ZINC000013517308 557836289 /nfs/dbraw/zinc/83/62/89/557836289.db2.gz INXGAHHQCIHNOR-SHHHLKPLSA-N 1 0 443.631 6.897 50 0 IKAARO C[C@@H]1[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)C[N@H+](C2CCCCC2)[C@@H]1c1ccccc1 ZINC000013763698 557836581 /nfs/dbraw/zinc/83/65/81/557836581.db2.gz BPODYCZWRPAIBO-LSUPZWPOSA-N 1 0 437.627 7.295 50 0 IKAARO COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccccc2Cl)cc(OC)c1OC ZINC000002330753 560186794 /nfs/dbraw/zinc/18/67/94/560186794.db2.gz FHCDSSAQYVTDRX-DNVKUUNQSA-N 1 0 445.987 5.234 50 0 biogenic,in-vitro IKAARO COc1ccc(C[NH2+]CC[C@H](c2ccc(OC(C)C)cc2)c2ccccc2OC)cc1OC ZINC000001824908 562924787 /nfs/dbraw/zinc/92/47/87/562924787.db2.gz NIOBXJAUQMLYQK-XMMPIXPASA-N 1 0 449.591 5.811 50 0 biogenic IKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccc(OC(C)C)cc2)c2ccccc2OC)cc1OC ZINC000001824909 562924800 /nfs/dbraw/zinc/92/48/00/562924800.db2.gz NIOBXJAUQMLYQK-DEOSSOPVSA-N 1 0 449.591 5.811 50 0 biogenic IKAARO COc1cc(OC)c(OC)cc1CC[C@H](C)[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000002106056 562925825 /nfs/dbraw/zinc/92/58/25/562925825.db2.gz BENHUXHIBFRHAF-NRFANRHFSA-N 1 0 433.592 5.845 50 0 biogenic IKAARO CC(C)CC[C@@](O)(c1ccc(Br)cc1)[C@@H](C[NH2+]CCCCO)c1ccccc1 ZINC000002907789 562930422 /nfs/dbraw/zinc/93/04/22/562930422.db2.gz VTQWHGAEPRCKIC-BJKOFHAPSA-N 1 0 448.445 5.219 50 0 IKAARO Cc1sc2nc(SCC[NH+](C)C)n(-c3ccccc3)c(=O)c2c1-c1ccc(F)cc1 ZINC000003343977 562934554 /nfs/dbraw/zinc/93/45/54/562934554.db2.gz WIQVPSDSSXAQHC-UHFFFAOYSA-N 1 0 439.581 5.215 50 0 IKAARO C[NH+](C)CCCNC(=S)NC[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC000003414977 562935421 /nfs/dbraw/zinc/93/54/21/562935421.db2.gz RYOMGTNXPFHHBB-SFHVURJKSA-N 1 0 449.451 5.022 50 0 IKAARO Cc1cc(NC(=S)N(CCC[N@H+]2CCC[C@@H](C)C2)Cc2cccs2)ccc1Cl ZINC000003662371 562937592 /nfs/dbraw/zinc/93/75/92/562937592.db2.gz NJXDLUXRNDQKLM-QGZVFWFLSA-N 1 0 436.090 6.031 50 0 IKAARO COc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)[NH+]2CCCCC2)cc1 ZINC000008613379 562959410 /nfs/dbraw/zinc/95/94/10/562959410.db2.gz XQQHRBRVBRMJES-JOCHJYFZSA-N 1 0 440.971 5.669 50 0 IKAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3Cl)=NN12 ZINC000008837188 562965151 /nfs/dbraw/zinc/96/51/51/562965151.db2.gz HPWJZRONDPQFTE-LJQANCHMSA-N 1 0 446.776 5.068 50 0 IKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3)=NN12 ZINC000009397108 562970004 /nfs/dbraw/zinc/97/00/04/562970004.db2.gz XXMRRDBZMDAOOR-OAQYLSRUSA-N 1 0 440.385 5.193 50 0 IKAARO CCOc1cccc2sc(N(CC[NH+](C)C)C(=O)c3cc4ccccc4cc3OC)nc21 ZINC000009603963 562974045 /nfs/dbraw/zinc/97/40/45/562974045.db2.gz DSDAMEGZKXSORM-UHFFFAOYSA-N 1 0 449.576 5.065 50 0 IKAARO COc1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)cc1OC1CC[NH+](C(C)C)CC1 ZINC000011879566 562979768 /nfs/dbraw/zinc/97/97/68/562979768.db2.gz IYYVUDMDQUPJOJ-DEOSSOPVSA-N 1 0 436.596 5.096 50 0 IKAARO CCn1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)c(C)n1 ZINC000012072995 562980708 /nfs/dbraw/zinc/98/07/08/562980708.db2.gz RTFURTSIKJGZHS-QFIPXVFZSA-N 1 0 441.579 5.210 50 0 IKAARO C[C@H](c1nccs1)N(C)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012300899 562981092 /nfs/dbraw/zinc/98/10/92/562981092.db2.gz CGIGALWQMLKWKR-HXUWFJFHSA-N 1 0 449.620 5.062 50 0 IKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)C3CCCCC3)c2-c2nc3ccccc3s2)C1 ZINC000017113384 563021355 /nfs/dbraw/zinc/02/13/55/563021355.db2.gz CSWIFIAYQBCLTD-UHFFFAOYSA-N 1 0 439.650 6.310 50 0 IKAARO O[C@H](C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1)c1ccccc1 ZINC000104982982 568623870 /nfs/dbraw/zinc/62/38/70/568623870.db2.gz IFAYMVSPTMFJPH-PXDATVDWSA-N 1 0 438.930 5.208 50 0 IKAARO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000013100900 568624778 /nfs/dbraw/zinc/62/47/78/568624778.db2.gz YVMWNDCPJMVOFO-VQTJNVASSA-N 1 0 448.636 5.493 50 0 IKAARO CC(C)n1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000086048540 568635291 /nfs/dbraw/zinc/63/52/91/568635291.db2.gz MSNCOVKSZMXDMT-UHFFFAOYSA-N 1 0 441.373 5.228 50 0 IKAARO C[NH+](C)[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccsc1 ZINC000025331855 568652525 /nfs/dbraw/zinc/65/25/25/568652525.db2.gz WIINEMIKPFWHQB-KRWDZBQOSA-N 1 0 438.380 5.062 50 0 IKAARO COc1cc(C[NH2+][C@@H](C)c2ccccn2)cc(Br)c1OCc1ccccc1 ZINC000025358887 568654545 /nfs/dbraw/zinc/65/45/45/568654545.db2.gz DESOZMNQRVQKIS-INIZCTEOSA-N 1 0 427.342 5.283 50 0 IKAARO CCOc1cc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc(-c2ccccc2)c1OC ZINC000063272399 568738428 /nfs/dbraw/zinc/73/84/28/568738428.db2.gz CVLUTAGMERGWRL-UHFFFAOYSA-N 1 0 436.596 5.145 50 0 IKAARO COc1ccc(C[NH2+]CC[C@H](c2ccccc2OC)[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000004027904 568758904 /nfs/dbraw/zinc/75/89/04/568758904.db2.gz IGJZWRNLGLPQPE-RTWAWAEBSA-N 1 0 427.585 5.181 50 0 biogenic IKAARO COc1ccc(CC[C@H]2[NH2+]CC3(CCCCC3)c3cc(OC)c(OC)cc32)cc1OC ZINC000001321261 568780018 /nfs/dbraw/zinc/78/00/18/568780018.db2.gz LYIIGTRGFXZVSE-OAQYLSRUSA-N 1 0 425.569 5.200 50 0 biogenic IKAARO CCOc1cc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)ccc1OCc1ccccc1Cl ZINC000001322396 568780224 /nfs/dbraw/zinc/78/02/24/568780224.db2.gz RXXKBFWBKYKLPJ-RUZDIDTESA-N 1 0 432.951 6.034 50 0 biogenic IKAARO Cc1nc(-c2cccc(NC(=O)NCc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)c2)oc1C ZINC000084061818 568790854 /nfs/dbraw/zinc/79/08/54/568790854.db2.gz RFQHWHJURFGLCC-SFHVURJKSA-N 1 0 432.568 5.512 50 0 IKAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000015680961 568806323 /nfs/dbraw/zinc/80/63/23/568806323.db2.gz PSIOWHLSELWHAC-OALUTQOASA-N 1 0 443.035 5.313 50 0 IKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCCC2)c1C ZINC000001448865 568817643 /nfs/dbraw/zinc/81/76/43/568817643.db2.gz GKXSMZSJWGNERB-HXUWFJFHSA-N 1 0 448.510 6.414 50 0 IKAARO Cc1ccc2ccc3cc(C(=O)NCC4CC[NH+](Cc5ccc(Cl)cc5)CC4)[nH]c3c2n1 ZINC000085577784 568825380 /nfs/dbraw/zinc/82/53/80/568825380.db2.gz UZUBCEJYHFHTMT-UHFFFAOYSA-N 1 0 446.982 5.320 50 0 IKAARO Cc1nn(-c2ccccc2)c2sc(C(=O)NCCC[N@H+](Cc3ccccc3)C(C)C)cc12 ZINC000015821583 568839842 /nfs/dbraw/zinc/83/98/42/568839842.db2.gz OCEUJAQJMUCOBF-UHFFFAOYSA-N 1 0 446.620 5.426 50 0 IKAARO CCN1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(=O)OC)C1 ZINC000015823469 568840162 /nfs/dbraw/zinc/84/01/62/568840162.db2.gz GFJCQNQOCYNWRD-UHFFFAOYSA-N 1 0 434.970 5.033 50 0 IKAARO CC1CC[NH+]([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)c2ccc(Cl)cc2)CC1 ZINC000015859319 568847140 /nfs/dbraw/zinc/84/71/40/568847140.db2.gz INXIJBRRFHFNJU-DEOSSOPVSA-N 1 0 448.950 6.753 50 0 IKAARO CC1CC[NH+]([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)c2cccc(F)c2)CC1 ZINC000015859328 568847165 /nfs/dbraw/zinc/84/71/65/568847165.db2.gz JGPZBCXLXNRZFS-XMMPIXPASA-N 1 0 432.495 6.239 50 0 IKAARO O=C(Nc1c2ccccc2oc1[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000015859491 568847347 /nfs/dbraw/zinc/84/73/47/568847347.db2.gz NAIWYLGBMHAMDG-XMMPIXPASA-N 1 0 430.935 6.524 50 0 IKAARO O=C(Nc1c2ccccc2oc1[C@H](c1cccc(F)c1)[NH+]1CCCCC1)c1ccccc1 ZINC000015859516 568847544 /nfs/dbraw/zinc/84/75/44/568847544.db2.gz VAKHTOLRSHKXMH-VWLOTQADSA-N 1 0 428.507 6.400 50 0 IKAARO CC1CC[NH+]([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccccc2)CC1 ZINC000015859367 568847599 /nfs/dbraw/zinc/84/75/99/568847599.db2.gz ZVMQKLDVZLVEQQ-DEOSSOPVSA-N 1 0 430.573 6.568 50 0 IKAARO COc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)[NH+]2CCCCC2)cc1 ZINC000015859371 568847621 /nfs/dbraw/zinc/84/76/21/568847621.db2.gz DXEYQJCLZVCLMG-XMMPIXPASA-N 1 0 446.572 6.331 50 0 IKAARO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2cccc(F)c2)[NH+]2CCCCC2)cc1 ZINC000015859592 568847837 /nfs/dbraw/zinc/84/78/37/568847837.db2.gz ZBPYMXNIVOFYBG-AREMUKBSSA-N 1 0 442.534 6.708 50 0 IKAARO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000015859568 568847863 /nfs/dbraw/zinc/84/78/63/568847863.db2.gz UKGMMNRPSANBKH-HHHXNRCGSA-N 1 0 438.571 6.815 50 0 IKAARO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)c3cc(Cl)ccc3[nH]2)cc1OC ZINC000015862346 568848621 /nfs/dbraw/zinc/84/86/21/568848621.db2.gz UPBXHMBZBWLRKI-UHFFFAOYSA-N 1 0 448.950 5.401 50 0 IKAARO CCc1c(C)sc2c1CC[N@H+](CC(=O)N1CCCc3ccccc31)[C@H]2c1ccccc1 ZINC000015864854 568850287 /nfs/dbraw/zinc/85/02/87/568850287.db2.gz FTEOHRNJMDCPCH-SANMLTNESA-N 1 0 430.617 5.546 50 0 IKAARO CCCCN(C)C(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000015865849 568850464 /nfs/dbraw/zinc/85/04/64/568850464.db2.gz JYIKDWIMESVWNP-UHFFFAOYSA-N 1 0 435.587 5.299 50 0 IKAARO COc1ccccc1[C@H](CC[NH2+]Cc1ccc(OC(C)C)cc1)c1ccc(OC(C)C)cc1 ZINC000001820605 568915877 /nfs/dbraw/zinc/91/58/77/568915877.db2.gz SUVGWYORIDFDCX-HHHXNRCGSA-N 1 0 447.619 6.581 50 0 biogenic IKAARO CC(C)(C)[NH2+]CCCn1c(-c2ccc(Br)cc2)cn2c3ccccc3nc21 ZINC000001830744 568915976 /nfs/dbraw/zinc/91/59/76/568915976.db2.gz FYGZCLCQCLHRPD-UHFFFAOYSA-N 1 0 425.374 5.497 50 0 IKAARO COc1ccccc1[C@@H](CC[NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 ZINC000001832513 568916209 /nfs/dbraw/zinc/91/62/09/568916209.db2.gz RXWYWURDIQKPTK-CPJSRVTESA-N 1 0 438.011 7.009 50 0 biogenic IKAARO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2F)[NH+]2CCC(C)CC2)c1C ZINC000001890833 568917617 /nfs/dbraw/zinc/91/76/17/568917617.db2.gz WMGSWHTYFOEPSF-XMMPIXPASA-N 1 0 436.596 6.578 50 0 IKAARO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2F)[NH+]2CCC(C)CC2)c1C ZINC000001890835 568917665 /nfs/dbraw/zinc/91/76/65/568917665.db2.gz WMGSWHTYFOEPSF-DEOSSOPVSA-N 1 0 436.596 6.578 50 0 IKAARO Cc1sc2ncnc(N3CC[NH+](Cc4ccccc4)CC3)c2c1-c1ccc(Cl)cc1 ZINC000054147450 568923402 /nfs/dbraw/zinc/92/34/02/568923402.db2.gz LLXCEVFKVRYBAP-UHFFFAOYSA-N 1 0 434.996 5.642 50 0 IKAARO O=C(C[NH+]1CCCCCCC1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000006530085 568929829 /nfs/dbraw/zinc/92/98/29/568929829.db2.gz VYDILBKREWJQQE-MHZLTWQESA-N 1 0 425.576 5.784 50 0 IKAARO CCc1ccc(-c2c3cnc4ccc(Cl)cc4c3sc2C(=O)NCC[NH+](C)C)cc1 ZINC000064588542 568934655 /nfs/dbraw/zinc/93/46/55/568934655.db2.gz PAJWUQVUCQDJMD-UHFFFAOYSA-N 1 0 437.996 5.624 50 0 IKAARO c1c(-c2ccccc2)c2c(ncnc2N2CC[NH+](Cc3ccccc3)CC2)n1-c1ccccc1 ZINC000054387950 568941529 /nfs/dbraw/zinc/94/15/29/568941529.db2.gz OQJPTPOMAABVEX-UHFFFAOYSA-N 1 0 445.570 5.410 50 0 IKAARO Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCC[NH+]3CCCC3)o2)cc1 ZINC000064669353 568943247 /nfs/dbraw/zinc/94/32/47/568943247.db2.gz SMULIHFNKJUSFS-UHFFFAOYSA-N 1 0 446.595 5.449 50 0 IKAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccc(Cl)cc2)c(C)c1 ZINC000036099018 568951994 /nfs/dbraw/zinc/95/19/94/568951994.db2.gz RRJCIWRXKVJOTI-DEOSSOPVSA-N 1 0 427.947 5.538 50 0 IKAARO O[C@H](C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccccc1 ZINC000036146312 568962251 /nfs/dbraw/zinc/96/22/51/568962251.db2.gz RXGRISKPTXXVQF-UKILVPOCSA-N 1 0 438.930 5.208 50 0 IKAARO COCCC[N@H+](Cc1ccc(C(O)(CC2CCC2)CC2CCC2)o1)Cc1cccs1 ZINC000036154670 568964687 /nfs/dbraw/zinc/96/46/87/568964687.db2.gz GQXLURLCZYSXCW-UHFFFAOYSA-N 1 0 431.642 5.948 50 0 IKAARO COc1ccc([C@@](O)(c2ccccc2OC)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744379 568971408 /nfs/dbraw/zinc/97/14/08/568971408.db2.gz FEYQZQXTRFNYRT-XTEPFMGCSA-N 1 0 431.576 5.209 50 0 IKAARO CCOc1ccc([C@@](O)(c2cccc(C)c2)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006744236 568971412 /nfs/dbraw/zinc/97/14/12/568971412.db2.gz OTVJEEAANZZNLQ-FQLXRVMXSA-N 1 0 429.604 5.899 50 0 IKAARO Cc1ccsc1C[N@H+]1C[C@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c2cccc(F)c2)C1 ZINC000169679927 568990478 /nfs/dbraw/zinc/99/04/78/568990478.db2.gz QHFBKWCRDQTFGI-FYYLOGMGSA-N 1 0 430.633 5.552 50 0 IKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(C(=O)C3CCCC3)C(C)C)[C@@H](c3ccc(F)cc3)C2)o1 ZINC000169679825 568991190 /nfs/dbraw/zinc/99/11/90/568991190.db2.gz UGQGMBVZTJYOJV-WIOPSUGQSA-N 1 0 426.576 5.370 50 0 IKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)C[C@H](C)O ZINC000036301883 568993959 /nfs/dbraw/zinc/99/39/59/568993959.db2.gz OPRGQAFSMZTEGP-KRWDZBQOSA-N 1 0 443.975 5.228 50 0 IKAARO CCC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036303903 568994245 /nfs/dbraw/zinc/99/42/45/568994245.db2.gz HYDAXISBYPZFBV-JOCHJYFZSA-N 1 0 437.584 5.355 50 0 IKAARO CCC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C(C)C ZINC000036306093 568995461 /nfs/dbraw/zinc/99/54/61/568995461.db2.gz CKEUJNXPJXTBFR-OAQYLSRUSA-N 1 0 437.584 5.259 50 0 IKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](CC(C)C)C[C@@H](C)O ZINC000036316456 568999806 /nfs/dbraw/zinc/99/98/06/568999806.db2.gz IFWLKBGIXGIKNV-LJQANCHMSA-N 1 0 425.548 5.205 50 0 IKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@@H+](C[C@H](C)O)[C@@H](C)CC ZINC000036316395 568999877 /nfs/dbraw/zinc/99/98/77/568999877.db2.gz FMQIQCHCXLBRLV-PMACEKPBSA-N 1 0 437.584 5.217 50 0 IKAARO CCCCCC[C@](O)(c1ccc(OCCC)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006811615 569000594 /nfs/dbraw/zinc/00/05/94/569000594.db2.gz NPGUUMYBJCYQIB-VMPREFPWSA-N 1 0 437.668 6.903 50 0 IKAARO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341967 569079606 /nfs/dbraw/zinc/07/96/06/569079606.db2.gz GBWGOVTZPUKORX-JOCHJYFZSA-N 1 0 437.584 5.211 50 0 IKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@H+](CC(C)C)C[C@@H](C)O ZINC000036341948 569079690 /nfs/dbraw/zinc/07/96/90/569079690.db2.gz MXIHQBJMGYJUDK-GOSISDBHSA-N 1 0 427.976 5.465 50 0 IKAARO CCOc1ccc([C@H]2CC(c3ccccc3OC)=NN2C(=O)C[N@H+](C)C2CCCCC2)cc1 ZINC000036344169 569080038 /nfs/dbraw/zinc/08/00/38/569080038.db2.gz HATRIGRXRWXCQJ-RUZDIDTESA-N 1 0 449.595 5.036 50 0 IKAARO CCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@H+](C)C2CCCCC2)cc1 ZINC000036343977 569080072 /nfs/dbraw/zinc/08/00/72/569080072.db2.gz OMDFQWQMQLRULD-VWLOTQADSA-N 1 0 437.559 5.167 50 0 IKAARO CCOc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000036344016 569080110 /nfs/dbraw/zinc/08/01/10/569080110.db2.gz YMHUCDLNGURWQE-DEOSSOPVSA-N 1 0 439.987 5.148 50 0 IKAARO CCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346085 569080772 /nfs/dbraw/zinc/08/07/72/569080772.db2.gz KSFFZJWNFKOAMB-QFIPXVFZSA-N 1 0 437.559 5.485 50 0 IKAARO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346327 569081046 /nfs/dbraw/zinc/08/10/46/569081046.db2.gz CGWWVPRBYLKCMS-QHCPKHFHSA-N 1 0 437.559 5.628 50 0 IKAARO CCC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346375 569081062 /nfs/dbraw/zinc/08/10/62/569081062.db2.gz OZNZNXHBYYQKNB-JOCHJYFZSA-N 1 0 425.548 5.485 50 0 IKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346112 569081156 /nfs/dbraw/zinc/08/11/56/569081156.db2.gz ALQOWNIJEQASPP-RUZDIDTESA-N 1 0 449.639 6.291 50 0 IKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)CC)CC1CC1 ZINC000036346540 569081429 /nfs/dbraw/zinc/08/14/29/569081429.db2.gz GCMMMCAJGHFVJT-QHCPKHFHSA-N 1 0 433.596 5.518 50 0 IKAARO CCn1c(C)c(C[NH+]2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)c2ccccc21 ZINC000065060126 569095793 /nfs/dbraw/zinc/09/57/93/569095793.db2.gz OLBSGHZRMBCLHK-OAQYLSRUSA-N 1 0 431.624 5.319 50 0 IKAARO CCn1cc(C[NH+]2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)c2cc(OC)ccc21 ZINC000065060013 569095811 /nfs/dbraw/zinc/09/58/11/569095811.db2.gz HCXHSWWGXLZSKW-SANMLTNESA-N 1 0 445.607 5.076 50 0 IKAARO CCn1cc(C[NH+]2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)c2cc(OC)ccc21 ZINC000065060009 569095889 /nfs/dbraw/zinc/09/58/89/569095889.db2.gz UMNIFAFVOMKQIB-OAQYLSRUSA-N 1 0 447.623 5.019 50 0 IKAARO Cc1ccc(CN(C(=O)Nc2cccc(C)c2C)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000006877651 569096177 /nfs/dbraw/zinc/09/61/77/569096177.db2.gz STBBGVJOHAQRIL-UHFFFAOYSA-N 1 0 431.580 5.904 50 0 IKAARO C[N@H+](C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)[C@@H]1CCCc2ccccc21 ZINC000006906556 569105822 /nfs/dbraw/zinc/10/58/22/569105822.db2.gz SWALGPRZWCNYDD-LBNVMWSVSA-N 1 0 429.604 5.762 50 0 IKAARO COc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000037279968 569145676 /nfs/dbraw/zinc/14/56/76/569145676.db2.gz LWHAWHJAXIICIW-UHFFFAOYSA-N 1 0 432.539 5.454 50 0 IKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(C)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000037279976 569145702 /nfs/dbraw/zinc/14/57/02/569145702.db2.gz QLJJQKJBYVBLMG-UHFFFAOYSA-N 1 0 432.539 5.454 50 0 IKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(C)cc3)CC2)cc1 ZINC000037280022 569145757 /nfs/dbraw/zinc/14/57/57/569145757.db2.gz NXQLCSBPUXRTJA-UHFFFAOYSA-N 1 0 432.539 5.454 50 0 IKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(C)cc3)c3ccc(OC)cc3)CC2)cc1 ZINC000037280007 569145821 /nfs/dbraw/zinc/14/58/21/569145821.db2.gz YXSSBHLJHNPLNZ-UHFFFAOYSA-N 1 0 444.575 5.324 50 0 IKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3cccc(C)c3)c3ccc(F)cc3)CC2)cc1 ZINC000037279989 569145844 /nfs/dbraw/zinc/14/58/44/569145844.db2.gz MNJHLVRUPABDHN-UHFFFAOYSA-N 1 0 432.539 5.454 50 0 IKAARO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(C3SCCS3)cc2)c2cccs2)CC1 ZINC000014515267 569159195 /nfs/dbraw/zinc/15/91/95/569159195.db2.gz WQICALADWCGFAS-IBGZPJMESA-N 1 0 432.680 5.430 50 0 IKAARO C(\c1ccccc1)=C1\CCCC2=C1O[C@]1([NH+]3CCCCC3)CCCC[C@@H]1[C@@H]2c1ccccc1 ZINC000002072729 569176971 /nfs/dbraw/zinc/17/69/71/569176971.db2.gz XHZACPFETSQKJX-VRKXWCSBSA-N 1 0 439.643 7.694 50 0 IKAARO CN1c2ccccc2C(C)(C)/C1=C\C=C1/C=C(/C=C\C2=[N+](C)c3ccccc3C2(C)C)CCC1 ZINC000095913057 569178103 /nfs/dbraw/zinc/17/81/03/569178103.db2.gz WETHPMQTTVATNU-UHFFFAOYSA-N 1 0 449.662 7.597 50 0 IKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000009232617 569181009 /nfs/dbraw/zinc/18/10/09/569181009.db2.gz DTKZRIKYXAEIIK-NRFANRHFSA-N 1 0 440.385 5.195 50 0 IKAARO C[C@@H](N[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000252486075 569186568 /nfs/dbraw/zinc/18/65/68/569186568.db2.gz DPHYODNXHRBPLX-UWVAXJGDSA-N 1 0 444.501 5.317 50 0 IKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](CCc1ccccc1)c1cn(C)c2ccccc12 ZINC000037380846 569191938 /nfs/dbraw/zinc/19/19/38/569191938.db2.gz LCHFTYJLBAXNGF-ILBGXUMGSA-N 1 0 447.667 5.912 50 0 IKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](CCc1ccccc1)c1cn(C)c2ccccc12 ZINC000037380855 569191978 /nfs/dbraw/zinc/19/19/78/569191978.db2.gz LCHFTYJLBAXNGF-ZCYQVOJMSA-N 1 0 447.667 5.912 50 0 IKAARO Cc1ccc(C(=O)N2CCC(C)CC2)c(C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000037554294 569200430 /nfs/dbraw/zinc/20/04/30/569200430.db2.gz XMPDZZYTNRNRNC-UHFFFAOYSA-N 1 0 433.640 5.765 50 0 IKAARO COc1ccccc1C[NH+]1CCC(c2nc(C)ccc2C(=O)N(C)C2CCCCC2)CC1 ZINC000037554283 569200443 /nfs/dbraw/zinc/20/04/43/569200443.db2.gz XGCVSXJSLPKOOY-UHFFFAOYSA-N 1 0 435.612 5.183 50 0 IKAARO O=C(c1cccc(Cl)c1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000037559950 569200882 /nfs/dbraw/zinc/20/08/82/569200882.db2.gz KQULUVWIBDNPQP-UHFFFAOYSA-N 1 0 440.921 5.930 50 0 IKAARO COc1cc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3cccc(C)c3)CC2)cc(OC)c1 ZINC000037560063 569200966 /nfs/dbraw/zinc/20/09/66/569200966.db2.gz ARKLBRQOMLOWKI-UHFFFAOYSA-N 1 0 444.575 5.324 50 0 IKAARO COc1ccccc1C[NH+]1CCC(N(C(=O)c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000037560743 569201081 /nfs/dbraw/zinc/20/10/81/569201081.db2.gz NDTOBRAFUORVCZ-UHFFFAOYSA-N 1 0 436.502 5.285 50 0 IKAARO COc1ccccc1C[NH+]1CCC(N(C(=O)c2ccccc2F)c2ccc(C)cc2)CC1 ZINC000037560437 569201086 /nfs/dbraw/zinc/20/10/86/569201086.db2.gz NDVIWEXVHMSVQH-UHFFFAOYSA-N 1 0 432.539 5.454 50 0 IKAARO COc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000037560694 569201115 /nfs/dbraw/zinc/20/11/15/569201115.db2.gz VPFLWQSGEKAKQI-UHFFFAOYSA-N 1 0 432.539 5.454 50 0 IKAARO COc1ccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000037560780 569201121 /nfs/dbraw/zinc/20/11/21/569201121.db2.gz JGOFDTRGXTWWJI-UHFFFAOYSA-N 1 0 432.539 5.454 50 0 IKAARO Cc1ccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000037570537 569201231 /nfs/dbraw/zinc/20/12/31/569201231.db2.gz JNKQOXKPMVIPIP-UHFFFAOYSA-N 1 0 434.605 5.163 50 0 IKAARO CCc1ccc(N(C2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000037588005 569202087 /nfs/dbraw/zinc/20/20/87/569202087.db2.gz VXJXPJPWCMDBLI-UHFFFAOYSA-N 1 0 434.605 5.109 50 0 IKAARO C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000195532012 569204258 /nfs/dbraw/zinc/20/42/58/569204258.db2.gz BUEGFNKQFJKTRH-OYHNWAKOSA-N 1 0 439.581 5.396 50 0 IKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C(C)C)cc1 ZINC000002222958 569204777 /nfs/dbraw/zinc/20/47/77/569204777.db2.gz YRTSHZXBPLNYOV-XMMPIXPASA-N 1 0 432.564 5.194 50 0 IKAARO CO[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@]5(CN(C)C6(CC[NH+](C)CC6)O5)[C@@]4(C)CC[C@H]32)C1 ZINC000252695337 569211144 /nfs/dbraw/zinc/21/11/44/569211144.db2.gz YKZPJVAZIXEHHB-IWQSBPKASA-N 1 0 442.688 5.087 50 0 biogenic IKAARO CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)[NH+]2CCCC2)cc1 ZINC000238881501 569268532 /nfs/dbraw/zinc/26/85/32/569268532.db2.gz AFWAKGXUEAGBPV-AREMUKBSSA-N 1 0 434.605 5.031 50 0 IKAARO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000239297058 569268765 /nfs/dbraw/zinc/26/87/65/569268765.db2.gz DRLQYRAHNGPDIT-NFQMXDRXSA-N 1 0 441.575 5.401 50 0 IKAARO C[N@H+](C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)[C@H]1CCCc2ccccc21 ZINC000239412568 569268924 /nfs/dbraw/zinc/26/89/24/569268924.db2.gz SWALGPRZWCNYDD-NAKRPHOHSA-N 1 0 429.604 5.762 50 0 IKAARO CCCCC[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000245231688 569269576 /nfs/dbraw/zinc/26/95/76/569269576.db2.gz INXGAHHQCIHNOR-BETQZWDCSA-N 1 0 443.631 6.897 50 0 IKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](Cc3ccco3)C[C@H]2c2ccccc2)cc1 ZINC000248084216 569270357 /nfs/dbraw/zinc/27/03/57/569270357.db2.gz DXMBMFXQBCQOND-BDYUSTAISA-N 1 0 430.592 5.602 50 0 IKAARO CC[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(c1nc(-c3ccc(OC)cc3)cs1)[NH2+]2 ZINC000251762736 569271148 /nfs/dbraw/zinc/27/11/48/569271148.db2.gz VJMQHCUMDADTEK-YFROIQMUSA-N 1 0 425.476 5.072 50 0 IKAARO C(\c1ccccc1)=C1\CCCC2=C1O[C@]1([NH+]3CCCC3)CCCC[C@@H]1[C@H]2c1ccccc1 ZINC000252428375 569271333 /nfs/dbraw/zinc/27/13/33/569271333.db2.gz ASDJDGGAASGMTI-FWMXMZONSA-N 1 0 425.616 7.304 50 0 IKAARO Cc1ncc(C[NH+]2CCC(C(=O)Nc3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)s1 ZINC000055036511 569275022 /nfs/dbraw/zinc/27/50/22/569275022.db2.gz RONZUYBYOBKPBP-UHFFFAOYSA-N 1 0 430.577 5.451 50 0 IKAARO C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@]34C)[C@H]1CC[C@H]2OC(=O)CC[NH+]1CCCCC1 ZINC000253487119 569283022 /nfs/dbraw/zinc/28/30/22/569283022.db2.gz FKAJEUFWOXAABF-SMGCRDAUSA-N 1 0 429.645 5.386 50 0 IKAARO CCCSc1nc2sc3c(c2c(NCCC[NH+](CC)CC)n1)C[C@@](C)(CC)OC3 ZINC000002419053 569301714 /nfs/dbraw/zinc/30/17/14/569301714.db2.gz REESQEDXJDWUTB-JOCHJYFZSA-N 1 0 436.691 5.579 50 0 IKAARO CSCC[C@@H]([NH2+]Cc1cc(C)n(-c2ccnn2C(C)C)c1C)c1nc2ccccc2[nH]1 ZINC000013109880 569310337 /nfs/dbraw/zinc/31/03/37/569310337.db2.gz MSGBAUHGWGGGKD-JOCHJYFZSA-N 1 0 436.629 5.332 50 0 IKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369089 569314767 /nfs/dbraw/zinc/31/47/67/569314767.db2.gz BYOVIIVOXMJYPS-KDURUIRLSA-N 1 0 439.003 5.126 50 0 IKAARO Brc1ccc([C@@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1 ZINC000020111710 569334544 /nfs/dbraw/zinc/33/45/44/569334544.db2.gz CHHFORGPJYRIQU-QHCPKHFHSA-N 1 0 433.349 5.745 50 0 biogenic IKAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000020154076 569353594 /nfs/dbraw/zinc/35/35/94/569353594.db2.gz DHTPIQXARXDNDE-UHFFFAOYSA-N 1 0 426.775 5.681 50 0 IKAARO CCc1ccccc1N(C)C(=S)Nc1ccc2nc(N3CC[NH+](CC)CC3)cc(C)c2c1 ZINC000020153605 569353597 /nfs/dbraw/zinc/35/35/97/569353597.db2.gz WADQGCRQTWSKQS-UHFFFAOYSA-N 1 0 447.652 5.081 50 0 IKAARO CCC1=Nc2cc(C(=O)NCCC[NH+]3[C@H](C)CCC[C@H]3C)ccc2Sc2ccc(C)cc21 ZINC000020178961 569354670 /nfs/dbraw/zinc/35/46/70/569354670.db2.gz JESOBZRGCBLALC-WOJBJXKFSA-N 1 0 449.664 6.373 50 0 IKAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccc(OC)cc2)on1)c1ccc(C(C)(C)C)cc1 ZINC000094992816 569355736 /nfs/dbraw/zinc/35/57/36/569355736.db2.gz AWHQWAPZKNXRGB-DEOSSOPVSA-N 1 0 449.595 5.461 50 0 IKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc3cc4ccc(C)cc4nc3o2)cc1 ZINC000020209594 569356092 /nfs/dbraw/zinc/35/60/92/569356092.db2.gz ORSLRVMFWIEEDY-UHFFFAOYSA-N 1 0 445.519 5.040 50 0 IKAARO COc1cnc(-c2ccccc2)nc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020219226 569356818 /nfs/dbraw/zinc/35/68/18/569356818.db2.gz DDIHTMPMOGSSHI-UHFFFAOYSA-N 1 0 436.559 5.064 50 0 IKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000020240715 569357759 /nfs/dbraw/zinc/35/77/59/569357759.db2.gz XGCUDZGUUBXPLR-QGZVFWFLSA-N 1 0 437.971 5.393 50 0 IKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](C(=O)NC2CCCCCCC2)C1 ZINC000020240959 569357857 /nfs/dbraw/zinc/35/78/57/569357857.db2.gz LRNYIUKQDXTQOQ-FQEVSTJZSA-N 1 0 444.019 5.745 50 0 IKAARO C[NH+]1CCN(c2ccccc2NC(=O)c2cc3c(s2)c2ccccc2nc3Cl)CC1 ZINC000020286193 569359161 /nfs/dbraw/zinc/35/91/61/569359161.db2.gz OSZGQSRNDSDADD-UHFFFAOYSA-N 1 0 436.968 5.107 50 0 IKAARO Cc1ccccc1Cn1c2ccccc2c(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C(=O)[O-] ZINC000020379365 569362542 /nfs/dbraw/zinc/36/25/42/569362542.db2.gz LWDUZZAKICUPMH-SFTDATJTSA-N 1 0 447.623 5.154 50 0 IKAARO C[C@@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccc(Cl)cc3)oc21)[NH+]1CCCCC1 ZINC000080345955 569362786 /nfs/dbraw/zinc/36/27/86/569362786.db2.gz XKMYZHFQZAFWFR-KRWDZBQOSA-N 1 0 447.970 5.892 50 0 IKAARO Cc1cc(C)cc(NC(=O)CSC2=NC3(CC[NH+](C(C)C)CC3)N=C2c2ccccc2)c1 ZINC000020436172 569365470 /nfs/dbraw/zinc/36/54/70/569365470.db2.gz XGHDVWQSWCVOAG-UHFFFAOYSA-N 1 0 448.636 5.077 50 0 IKAARO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[N@@H+]3CCCC[C@H]3CCO)cc(=O)oc2c1C ZINC000095473925 569372503 /nfs/dbraw/zinc/37/25/03/569372503.db2.gz LRQLXFRGJMDLSR-FQEVSTJZSA-N 1 0 446.547 5.263 50 0 IKAARO O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000095480244 569373819 /nfs/dbraw/zinc/37/38/19/569373819.db2.gz PMSKJKHKJAAQLS-QHCPKHFHSA-N 1 0 435.999 5.096 50 0 IKAARO O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000095480245 569373846 /nfs/dbraw/zinc/37/38/46/569373846.db2.gz PMSKJKHKJAAQLS-HSZRJFAPSA-N 1 0 435.999 5.096 50 0 IKAARO c1cc(-c2nnc(C3CC[NH+](Cc4ccc(OCc5ccccc5)cc4)CC3)o2)cs1 ZINC000096024400 569380467 /nfs/dbraw/zinc/38/04/67/569380467.db2.gz OZPQLWJEXJDBHR-UHFFFAOYSA-N 1 0 431.561 5.757 50 0 IKAARO Cc1ccc(C)c([C@H](c2ccccc2)[NH+]2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000096183716 569386075 /nfs/dbraw/zinc/38/60/75/569386075.db2.gz UQUDADZKAXNXTO-VWLOTQADSA-N 1 0 433.983 5.896 50 0 IKAARO Cc1ccc(Nc2nc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)cc3occc32)cc1Cl ZINC000096323722 569395341 /nfs/dbraw/zinc/39/53/41/569395341.db2.gz QSQSWGGVIWCMBP-MRXNPFEDSA-N 1 0 440.975 5.385 50 0 IKAARO Cc1ccc(Nc2nc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)cc3occc32)cc1Cl ZINC000096323719 569395357 /nfs/dbraw/zinc/39/53/57/569395357.db2.gz WKMFGFAXCXAREO-INIZCTEOSA-N 1 0 426.948 5.137 50 0 IKAARO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000225688964 569407052 /nfs/dbraw/zinc/40/70/52/569407052.db2.gz SADNZVVNMPDTOQ-UHFFFAOYSA-N 1 0 441.984 5.028 50 0 IKAARO CCOc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000002546382 569408904 /nfs/dbraw/zinc/40/89/04/569408904.db2.gz MGXBJVWFWFDPMC-DEOSSOPVSA-N 1 0 434.605 6.201 50 0 IKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(C)cc1 ZINC000002890282 569424279 /nfs/dbraw/zinc/42/42/79/569424279.db2.gz UNUOVCHSUPVQHH-JOCHJYFZSA-N 1 0 438.955 5.032 50 0 IKAARO O=C(Nc1sc2c(c1C[NH+]1CCC(Cc3ccccc3)CC1)CCC2)c1ccc(F)cc1 ZINC000002889308 569424353 /nfs/dbraw/zinc/42/43/53/569424353.db2.gz YKLSJRWZAWAEFV-UHFFFAOYSA-N 1 0 448.607 6.083 50 0 IKAARO CCc1ccc(Sc2cc(C(=O)NCC[NH+]3[C@H](C)CCC[C@H]3C)c3ccccc3n2)cc1 ZINC000002941388 569426709 /nfs/dbraw/zinc/42/67/09/569426709.db2.gz WCVYERRBBYFAOS-WOJBJXKFSA-N 1 0 447.648 5.941 50 0 IKAARO CC[NH+](CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1c(C)cc(C)cc1C ZINC000003029487 569436686 /nfs/dbraw/zinc/43/66/86/569436686.db2.gz SJNOMKBMSOEYEQ-UHFFFAOYSA-N 1 0 436.669 6.024 50 0 IKAARO CC[NH+](CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1cccc(Cl)c1 ZINC000003029501 569436740 /nfs/dbraw/zinc/43/67/40/569436740.db2.gz SJXHWGNFSIOXSG-UHFFFAOYSA-N 1 0 429.033 5.752 50 0 IKAARO CCOc1ccc(-c2cc(C(=O)NCCC[N@H+](C)C3CCCCC3)c3ccccc3n2)cc1 ZINC000003044931 569438559 /nfs/dbraw/zinc/43/85/59/569438559.db2.gz QSYMZWBYEBRYIL-UHFFFAOYSA-N 1 0 445.607 5.685 50 0 IKAARO CCOc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c3ccccc3n2)cc1 ZINC000003044946 569438576 /nfs/dbraw/zinc/43/85/76/569438576.db2.gz CJAGKBRBMHETMY-HXUWFJFHSA-N 1 0 431.580 5.295 50 0 IKAARO CCCC[N@H+](C)CCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C(C)C)cc21 ZINC000003047633 569438685 /nfs/dbraw/zinc/43/86/85/569438685.db2.gz CKRNCZDDLDQSPM-UHFFFAOYSA-N 1 0 447.623 5.886 50 0 IKAARO Cc1ccc([C@H]2C[N@@H+](Cc3cccs3)C[C@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000230155842 569439601 /nfs/dbraw/zinc/43/96/01/569439601.db2.gz DONBNZOENJWJPE-AZGAKELHSA-N 1 0 432.633 5.823 50 0 IKAARO C[N@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2)C1CCCCC1 ZINC000003064044 569439673 /nfs/dbraw/zinc/43/96/73/569439673.db2.gz XEIGKRNCXUHHBF-ULJHMMPZSA-N 1 0 449.620 5.156 50 0 IKAARO O=C(c1cc2c(s1)-c1ccc(Cl)cc1SC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000058083228 569446872 /nfs/dbraw/zinc/44/68/72/569446872.db2.gz GICYIMIEJAIIQK-UHFFFAOYSA-N 1 0 433.042 5.765 50 0 IKAARO Cc1cc(OC[C@H](O)C[NH2+]CCc2ccc(Cl)cc2Cl)c(C(C)C)cc1Cl ZINC000003352190 569447421 /nfs/dbraw/zinc/44/74/21/569447421.db2.gz LPUOYVDHRDAYQB-QGZVFWFLSA-N 1 0 430.803 5.651 50 0 IKAARO COc1cccc([C@@H]2C[NH2+]C3(CCC(C(C)(C)C)CC3)c3[nH]c4ccccc4c32)c1OC ZINC000003359476 569447801 /nfs/dbraw/zinc/44/78/01/569447801.db2.gz GFZIDMKWFLSCCF-FKUMYKMDSA-N 1 0 432.608 6.352 50 0 IKAARO C[NH+](C)CCn1ccc2cc(NC(=O)c3cc(-c4ccncc4)nc4ccccc43)ccc21 ZINC000058162279 569449285 /nfs/dbraw/zinc/44/92/85/569449285.db2.gz QRZWNNLBMNJKNQ-UHFFFAOYSA-N 1 0 435.531 5.065 50 0 IKAARO FC(F)(F)c1cccc(NC(=S)N(CC[NH+]2CCCCCC2)Cc2ccco2)c1 ZINC000003665661 569455968 /nfs/dbraw/zinc/45/59/68/569455968.db2.gz VOFPQZCQKLCRMV-UHFFFAOYSA-N 1 0 425.520 5.373 50 0 IKAARO Cc1cc(NC(=S)N(CCC[NH+]2CCC(C)CC2)Cc2cccs2)ccc1Cl ZINC000003662365 569455972 /nfs/dbraw/zinc/45/59/72/569455972.db2.gz NGZQJZZNOGTKSV-UHFFFAOYSA-N 1 0 436.090 6.031 50 0 IKAARO Cc1cc(NC(=S)N(CCC[NH+]2CCCCCC2)Cc2cccs2)ccc1Cl ZINC000003662366 569455974 /nfs/dbraw/zinc/45/59/74/569455974.db2.gz WYVFJRBAIALJBJ-UHFFFAOYSA-N 1 0 436.090 6.175 50 0 IKAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)CC1 ZINC000059409663 569461219 /nfs/dbraw/zinc/46/12/19/569461219.db2.gz RSUMDFBTCAAZNY-HOBRGOHXSA-N 1 0 443.031 5.085 50 0 biogenic IKAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@H]23)CC1 ZINC000059409622 569461242 /nfs/dbraw/zinc/46/12/42/569461242.db2.gz SDFFXZBPKQGUHN-XVOWXPBNSA-N 1 0 441.015 5.005 50 0 biogenic IKAARO CCc1cc([C@H](c2ccc(SC)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545934 569463288 /nfs/dbraw/zinc/46/32/88/569463288.db2.gz LFRZPYBFNRULNQ-QFIPXVFZSA-N 1 0 440.634 6.453 50 0 IKAARO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)[NH+]2CCCCC2)cc1 ZINC000038545973 569463301 /nfs/dbraw/zinc/46/33/01/569463301.db2.gz GWCUTUYGHDKGNU-JOCHJYFZSA-N 1 0 440.634 6.263 50 0 IKAARO COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)[NH+]2CCCCC2)cc1 ZINC000038545974 569463311 /nfs/dbraw/zinc/46/33/11/569463311.db2.gz GWCUTUYGHDKGNU-QFIPXVFZSA-N 1 0 440.634 6.263 50 0 IKAARO O=C(Nc1sc2c(c1[C@H](c1ccccc1F)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038545969 569463349 /nfs/dbraw/zinc/46/33/49/569463349.db2.gz IXEFGSSVBUTNSI-QHCPKHFHSA-N 1 0 438.568 6.187 50 0 IKAARO CSc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000038545892 569463365 /nfs/dbraw/zinc/46/33/65/569463365.db2.gz VWSRIKURLXTAES-NRFANRHFSA-N 1 0 426.607 6.199 50 0 IKAARO CC1CC[NH+]([C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccn2)CC1 ZINC000038546322 569463444 /nfs/dbraw/zinc/46/34/44/569463444.db2.gz SKENXLAACNHUGO-HSZRJFAPSA-N 1 0 435.593 5.689 50 0 IKAARO CC1CC[NH+]([C@@H](c2cccs2)c2c3c(sc2NC(=O)c2ccco2)CCCC3)CC1 ZINC000038546340 569463447 /nfs/dbraw/zinc/46/34/47/569463447.db2.gz SQQPMRUFLLHSQR-QFIPXVFZSA-N 1 0 440.634 6.355 50 0 IKAARO Cc1cc([C@H](c2ccccc2Cl)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546237 569463458 /nfs/dbraw/zinc/46/34/58/569463458.db2.gz UWISPPVHTFWTCL-NRFANRHFSA-N 1 0 428.985 6.377 50 0 IKAARO Cc1cc([C@@H](c2cccc(Cl)c2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546234 569463493 /nfs/dbraw/zinc/46/34/93/569463493.db2.gz KCCCYQGDXLHYEY-OAQYLSRUSA-N 1 0 428.985 6.377 50 0 IKAARO CCc1cc([C@@H](c2cccc(F)c2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546287 569463515 /nfs/dbraw/zinc/46/35/15/569463515.db2.gz CRABBSWMSXNWOR-JOCHJYFZSA-N 1 0 426.557 6.116 50 0 IKAARO CC1CC[NH+]([C@H](c2cccs2)c2c3c(sc2NC(=O)c2ccco2)CCCC3)CC1 ZINC000038546341 569463520 /nfs/dbraw/zinc/46/35/20/569463520.db2.gz SQQPMRUFLLHSQR-JOCHJYFZSA-N 1 0 440.634 6.355 50 0 IKAARO CCc1cc([C@@H](c2ccc(OC)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546279 569463524 /nfs/dbraw/zinc/46/35/24/569463524.db2.gz SGUMMYPGTNHCRP-HSZRJFAPSA-N 1 0 438.593 5.986 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccs2)[NH+]2CCC(C)CC2)c1C ZINC000038546719 569463635 /nfs/dbraw/zinc/46/36/35/569463635.db2.gz AXWSLHGJWDMGCY-FQEVSTJZSA-N 1 0 430.664 6.562 50 0 IKAARO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)[NH+]2CCCC2)cc1 ZINC000038546845 569463677 /nfs/dbraw/zinc/46/36/77/569463677.db2.gz JZJULARSNWEYDU-OAQYLSRUSA-N 1 0 426.607 5.873 50 0 IKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)c1C ZINC000038546857 569463807 /nfs/dbraw/zinc/46/38/07/569463807.db2.gz ZLKAVYXUAKVOKB-HXUWFJFHSA-N 1 0 431.026 6.517 50 0 IKAARO [NH2+]=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000067341981 569469029 /nfs/dbraw/zinc/46/90/29/569469029.db2.gz DKMJTPHAZMTYTF-UHFFFAOYSA-N 1 0 428.319 5.170 50 0 IKAARO CCN(CC)c1ccc2[nH]c(C)c(C[NH+](Cc3ccccc3)Cc3ccccc3)c(=O)c2c1 ZINC000008575156 569469096 /nfs/dbraw/zinc/46/90/96/569469096.db2.gz VUADNNJAUSEYQD-UHFFFAOYSA-N 1 0 439.603 6.297 50 0 IKAARO Cc1[nH]c2ccc(Br)cc2c(=O)c1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000008714079 569471048 /nfs/dbraw/zinc/47/10/48/569471048.db2.gz UCUVLJYGAMKMOG-UHFFFAOYSA-N 1 0 447.376 6.214 50 0 IKAARO Fc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717698 569471133 /nfs/dbraw/zinc/47/11/33/569471133.db2.gz QHXLVYPYKRNMER-RUZDIDTESA-N 1 0 427.523 5.362 50 0 IKAARO Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000008717704 569471142 /nfs/dbraw/zinc/47/11/42/569471142.db2.gz JEHMUUGNGQASKI-RUZDIDTESA-N 1 0 443.978 5.876 50 0 IKAARO C[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000008717680 569471147 /nfs/dbraw/zinc/47/11/47/569471147.db2.gz PPVMRAFAGPNXMY-IBGZPJMESA-N 1 0 446.776 5.068 50 0 IKAARO Cc1ccc(-c2csc(N3[NH2+]C(C=Cc4ccccc4O)=C[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000008754001 569473779 /nfs/dbraw/zinc/47/37/79/569473779.db2.gz RUXJPFUGZHMURD-RQWLHQTBSA-N 1 0 445.466 5.355 50 0 IKAARO CCc1cc([C@@H](c2cccc(OC)c2)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000008763673 569474395 /nfs/dbraw/zinc/47/43/95/569474395.db2.gz JNSFDOUEQSRXMR-XMMPIXPASA-N 1 0 434.605 6.147 50 0 IKAARO CSc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000008763388 569474447 /nfs/dbraw/zinc/47/44/47/569474447.db2.gz OWFUKUGOKNPCTR-JOCHJYFZSA-N 1 0 440.634 6.507 50 0 IKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(OC(F)F)cc2)[NH+]2CCCC2)c1C ZINC000008763381 569474450 /nfs/dbraw/zinc/47/44/50/569474450.db2.gz NUUNZBVMYBPLNH-HXUWFJFHSA-N 1 0 446.519 5.997 50 0 IKAARO COc1ccc(C(=O)N2CN(C3CC(C)(C)[NH2+]C(C)(C)C3)Cc3c(C)c(C)sc32)cc1 ZINC000008763685 569474492 /nfs/dbraw/zinc/47/44/92/569474492.db2.gz BLXYYXXGPIGFTR-UHFFFAOYSA-N 1 0 441.641 5.103 50 0 IKAARO C[C@@H]([NH2+]Cc1ccccc1OCc1c(Cl)cccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000008861292 569479979 /nfs/dbraw/zinc/47/99/79/569479979.db2.gz PIGJTNCWLHXXFJ-ZFGQVMFLSA-N 1 0 444.446 7.267 50 0 IKAARO O=C(COc1ccc(Cl)cc1Cl)NC[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008863175 569480221 /nfs/dbraw/zinc/48/02/21/569480221.db2.gz KFDDKRFTGQOBPE-SFHVURJKSA-N 1 0 427.397 5.167 50 0 IKAARO COc1ccc2c(c1)c1c(n2CC[NH+](Cc2ccccc2)Cc2ccccc2)C(=O)CCC1 ZINC000039931791 569482059 /nfs/dbraw/zinc/48/20/59/569482059.db2.gz KMNAKXZVBBLMEK-UHFFFAOYSA-N 1 0 438.571 5.871 50 0 IKAARO O=S(=O)(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000008901732 569484325 /nfs/dbraw/zinc/48/43/25/569484325.db2.gz HQTVWZPLGRCIAJ-DEOSSOPVSA-N 1 0 440.634 5.311 50 0 IKAARO O=S(=O)(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000008901736 569484370 /nfs/dbraw/zinc/48/43/70/569484370.db2.gz HQTVWZPLGRCIAJ-XMMPIXPASA-N 1 0 440.634 5.311 50 0 IKAARO C[NH+](C)[C@@H](CNC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1ccsc1 ZINC000040071010 569485689 /nfs/dbraw/zinc/48/56/89/569485689.db2.gz WBWQUMDJBIJFSS-SQJMNOBHSA-N 1 0 449.645 5.277 50 0 IKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)c4ccccc4)c2)N3)C1 ZINC000008923422 569487057 /nfs/dbraw/zinc/48/70/57/569487057.db2.gz KLHBHCSLZHQWMC-JOCHJYFZSA-N 1 0 447.560 5.163 50 0 IKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH2+]C1CCCCC1 ZINC000008926144 569487237 /nfs/dbraw/zinc/48/72/37/569487237.db2.gz RCUPCYLSLFLHBU-AREMUKBSSA-N 1 0 438.615 6.567 50 0 IKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(C)c(Cl)c4)o2)N3)C1 ZINC000008928043 569487349 /nfs/dbraw/zinc/48/73/49/569487349.db2.gz FXMMYXUGKAMLJI-HXUWFJFHSA-N 1 0 427.957 5.777 50 0 IKAARO CC(=O)C1=CC[C@@H]2[C@H]3CC[C@H]4C=C(OC(=O)CC[NH+]5CCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000009065405 569499693 /nfs/dbraw/zinc/49/96/93/569499693.db2.gz LISUREDJGUCUNG-WZJCLXMASA-N 1 0 439.640 5.677 50 0 IKAARO CC(=O)C1=CC[C@@H]2[C@H]3CC[C@H]4C=C(OC(=O)CC[NH+]5CCCC5)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000009065416 569499698 /nfs/dbraw/zinc/49/96/98/569499698.db2.gz LISUREDJGUCUNG-IUYRIBMVSA-N 1 0 439.640 5.677 50 0 IKAARO Cc1cccc([C@@H]2C[C@H](C(=O)N[C@H](C)c3ccccc3)C[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000245281442 569502232 /nfs/dbraw/zinc/50/22/32/569502232.db2.gz ZJSKDGOQOFWAHE-QGDZQMKYSA-N 1 0 430.567 5.617 50 0 IKAARO Cc1ccc(Cn2cc(CCC(=O)NCCC[NH+]3[C@@H](C)CCC[C@@H]3C)c3ccccc32)cc1 ZINC000009116094 569502879 /nfs/dbraw/zinc/50/28/79/569502879.db2.gz MKYWWTDGLGQDDF-ZEQRLZLVSA-N 1 0 445.651 5.700 50 0 IKAARO CCc1cccc2c([C@@H](CC(=O)NCCC[N@@H+]3CCCC[C@H]3C)c3cccc(F)c3)c[nH]c21 ZINC000245329672 569504061 /nfs/dbraw/zinc/50/40/61/569504061.db2.gz VKFYBNWQKVTINI-NLFFAJNJSA-N 1 0 449.614 5.772 50 0 IKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000009151105 569507364 /nfs/dbraw/zinc/50/73/64/569507364.db2.gz XBPKSKURMSQXBO-UHFFFAOYSA-N 1 0 428.989 5.200 50 0 IKAARO Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(Br)s3)nc21 ZINC000009151897 569507655 /nfs/dbraw/zinc/50/76/55/569507655.db2.gz LRDUPBOETUVQLT-UHFFFAOYSA-N 1 0 438.416 5.027 50 0 IKAARO Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(Cc4ccccc4)cc3)nc21 ZINC000009151900 569507690 /nfs/dbraw/zinc/50/76/90/569507690.db2.gz ZRSHWKOYJUZPHV-UHFFFAOYSA-N 1 0 443.616 5.794 50 0 IKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)C1 ZINC000009152930 569507918 /nfs/dbraw/zinc/50/79/18/569507918.db2.gz BFTSEZRLVVTIIE-KDURUIRLSA-N 1 0 443.035 5.028 50 0 IKAARO CC[NH+](CC)CCCNc1nc(SC(C)C)nc2sc3c(c21)C[C@@](C)(CC)OC3 ZINC000009184828 569509990 /nfs/dbraw/zinc/50/99/90/569509990.db2.gz WPEIKYFQJGDGRW-JOCHJYFZSA-N 1 0 436.691 5.577 50 0 IKAARO Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CC[NH2+]CC2)c(Cl)c1 ZINC000009227258 569513390 /nfs/dbraw/zinc/51/33/90/569513390.db2.gz GJFGMXJTOSZGOI-UHFFFAOYSA-N 1 0 429.351 5.207 50 0 IKAARO Cc1ccc(-n2ncc(C(=O)Nc3ccc(F)c(Cl)c3)c2C2CC[NH2+]CC2)cc1Cl ZINC000009227323 569513420 /nfs/dbraw/zinc/51/34/20/569513420.db2.gz VWOAFKKVUFFKFM-UHFFFAOYSA-N 1 0 447.341 5.346 50 0 IKAARO CC(C)Cn1cc(NC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2c1=O ZINC000009227620 569513448 /nfs/dbraw/zinc/51/34/48/569513448.db2.gz QAZZIXZUVMNWDJ-UHFFFAOYSA-N 1 0 432.568 5.287 50 0 IKAARO Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCC[N@H+]3CCCC[C@H]3C)cc12 ZINC000009229128 569513709 /nfs/dbraw/zinc/51/37/09/569513709.db2.gz ZSAUWUGUFZJRAU-GOSISDBHSA-N 1 0 438.015 5.564 50 0 IKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009300126 569520572 /nfs/dbraw/zinc/52/05/72/569520572.db2.gz MRVMSAOKTCDCPQ-OAQYLSRUSA-N 1 0 430.379 5.737 50 0 IKAARO FC(F)(F)c1cccc(N2CC[NH+](CCOCCOc3cccc4ccccc43)CC2)c1 ZINC000009322347 569522594 /nfs/dbraw/zinc/52/25/94/569522594.db2.gz VSMYEILLIZQBAS-UHFFFAOYSA-N 1 0 444.497 5.076 50 0 IKAARO CC(C)Sc1nc2sc3c(c2c2nnc(SCC[NH+]4CCCCC4)n21)CCCC3 ZINC000009347678 569524292 /nfs/dbraw/zinc/52/42/92/569524292.db2.gz CGCUPNWSQVOIKC-UHFFFAOYSA-N 1 0 447.699 5.296 50 0 IKAARO O=C(c1cc(=O)c2ccccc2o1)N(c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009373280 569526958 /nfs/dbraw/zinc/52/69/58/569526958.db2.gz CXESEQLUPDJFGK-UHFFFAOYSA-N 1 0 438.527 5.104 50 0 IKAARO CC[C@@H]1CCCC[N@@H+]1CCCNc1nnc2c3ccccc3n(Cc3ccc(C)cc3)c2n1 ZINC000009405486 569529914 /nfs/dbraw/zinc/52/99/14/569529914.db2.gz FRVXNNALJIHVAS-JOCHJYFZSA-N 1 0 442.611 5.403 50 0 IKAARO CCCOc1ccc([C@](O)(Cc2ccccc2)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000009408687 569530674 /nfs/dbraw/zinc/53/06/74/569530674.db2.gz OQEZKQAKWQIXTK-LOYHVIPDSA-N 1 0 443.631 6.175 50 0 IKAARO COc1ccc([C@@H](CNC(=S)Nc2ccc(SC(F)F)cc2)[NH+]2CCCC2)cc1 ZINC000009491229 569540313 /nfs/dbraw/zinc/54/03/13/569540313.db2.gz RWESMSWETBMWNG-LJQANCHMSA-N 1 0 437.581 5.133 50 0 IKAARO Fc1ccc(-c2nnc(C3CC[NH+](Cc4ccc(OCc5ccccc5)cc4)CC3)o2)cc1 ZINC000070641655 569549050 /nfs/dbraw/zinc/54/90/50/569549050.db2.gz RVRTVMPVTXWPFC-UHFFFAOYSA-N 1 0 443.522 5.834 50 0 IKAARO COCCn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1cccc(Oc2ccccc2)c1 ZINC000009601556 569551628 /nfs/dbraw/zinc/55/16/28/569551628.db2.gz GSKAOWNFMVXMLB-UHFFFAOYSA-N 1 0 443.503 5.330 50 0 IKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)C[NH2+]C3CCCC3)c2c(C)c1 ZINC000009601961 569551672 /nfs/dbraw/zinc/55/16/72/569551672.db2.gz HHKYQPMVFYXVCN-AREMUKBSSA-N 1 0 438.615 6.485 50 0 IKAARO CCCC[N@H+](CC)CCNC(=O)c1ccc2c(c1)N=C(C)c1cc(Cl)ccc1S2 ZINC000009608039 569552084 /nfs/dbraw/zinc/55/20/84/569552084.db2.gz RNZKDVQXUKCBNU-UHFFFAOYSA-N 1 0 430.017 5.797 50 0 IKAARO CCCC1=Nc2cc(C(=O)NCC[N@H+](C)C3CCCCC3)ccc2Sc2ccccc21 ZINC000009608392 569552143 /nfs/dbraw/zinc/55/21/43/569552143.db2.gz LXOYVOTWPSEQRZ-UHFFFAOYSA-N 1 0 435.637 6.066 50 0 IKAARO COc1ccc(Nc2c3cc(NC(=O)c4ccco4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000009612249 569552841 /nfs/dbraw/zinc/55/28/41/569552841.db2.gz VGVBLKQFVYXMQQ-UHFFFAOYSA-N 1 0 443.503 5.720 50 0 IKAARO CC(C)[N@H+](CCCNC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1)C1CCCCC1 ZINC000009636829 569554752 /nfs/dbraw/zinc/55/47/52/569554752.db2.gz CQHHFNBCXIKXGT-UHFFFAOYSA-N 1 0 446.591 5.623 50 0 IKAARO Cc1ccc(-n2ncc(C(=O)Nc3cccc(Cl)c3)c2C2CC[NH2+]CC2)cc1Cl ZINC000009639791 569555288 /nfs/dbraw/zinc/55/52/88/569555288.db2.gz SDEOQVPHQMUVCJ-UHFFFAOYSA-N 1 0 429.351 5.207 50 0 IKAARO CCOC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000009639877 569555290 /nfs/dbraw/zinc/55/52/90/569555290.db2.gz UUCKPPHXXHFGKM-UHFFFAOYSA-N 1 0 436.577 5.490 50 0 IKAARO CCCC[NH+](CCCC)CCNC(=O)c1cc(Nc2ccc(OC)cc2)nc2ccccc21 ZINC000009680595 569560037 /nfs/dbraw/zinc/56/00/37/569560037.db2.gz HQPLTEYEEAKNAR-UHFFFAOYSA-N 1 0 448.611 5.619 50 0 IKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Nc2ccccc2OC)nc2ccccc21 ZINC000009680910 569560216 /nfs/dbraw/zinc/56/02/16/569560216.db2.gz ZMFDWHPVWFSEFP-HXUWFJFHSA-N 1 0 446.595 5.371 50 0 IKAARO CCCC[NH+](CCCC)CCNC(=O)c1cc(Nc2ccccc2OC)nc2ccccc21 ZINC000009680935 569560244 /nfs/dbraw/zinc/56/02/44/569560244.db2.gz IINPCTIXOQAJEQ-UHFFFAOYSA-N 1 0 448.611 5.619 50 0 IKAARO CCOc1ccc2nc(N(CC[NH+](C)C)C(=O)c3cccc(SCC)c3)sc2c1 ZINC000009707935 569561819 /nfs/dbraw/zinc/56/18/19/569561819.db2.gz HYEQXSJQUXFWKB-UHFFFAOYSA-N 1 0 429.611 5.015 50 0 IKAARO O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCCC[NH+]1CCCCCC1 ZINC000009722372 569563452 /nfs/dbraw/zinc/56/34/52/569563452.db2.gz NJILRUAYWVMAJD-UHFFFAOYSA-N 1 0 446.060 5.241 50 0 IKAARO COc1cc(CNc2[nH+]cc(-c3cccc(Cl)c3)n2C)ccc1OCc1ccccc1 ZINC000009763715 569566674 /nfs/dbraw/zinc/56/66/74/569566674.db2.gz YUNJQASOUXUJAD-UHFFFAOYSA-N 1 0 433.939 5.940 50 0 IKAARO CCCCn1c(-c2ccc(OCC)cc2)c[nH+]c1NCc1c(F)cccc1Br ZINC000009846063 569570943 /nfs/dbraw/zinc/57/09/43/569570943.db2.gz BWJSWJGBUOSBBU-UHFFFAOYSA-N 1 0 446.364 6.263 50 0 IKAARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21 ZINC000009942481 569574021 /nfs/dbraw/zinc/57/40/21/569574021.db2.gz RCGMPKGXHDQITJ-UHFFFAOYSA-N 1 0 434.584 5.148 50 0 IKAARO Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCCC2)n3C)c1 ZINC000009942356 569574040 /nfs/dbraw/zinc/57/40/40/569574040.db2.gz RTSKICFJHJSSDW-UHFFFAOYSA-N 1 0 448.611 5.399 50 0 IKAARO CC(C)c1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](C)O)CC1CC1 ZINC000036308038 569587967 /nfs/dbraw/zinc/58/79/67/569587967.db2.gz ZHCAOULCJWWPIE-IBGZPJMESA-N 1 0 437.559 5.520 50 0 IKAARO