smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(OC)c1OC ZINC000000702969 551530200 /nfs/dbraw/zinc/53/02/00/551530200.db2.gz ZVHVTZILBMWBNG-DEOSSOPVSA-N 1 2 517.538 4.324 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(OC)c1OC ZINC000000702970 551530320 /nfs/dbraw/zinc/53/03/20/551530320.db2.gz ZVHVTZILBMWBNG-XMMPIXPASA-N 1 2 517.538 4.324 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000000730320 551539400 /nfs/dbraw/zinc/53/94/00/551539400.db2.gz AFBCJNXMQLQHOG-PMERELPUSA-N 1 2 570.642 4.337 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000000730321 551539700 /nfs/dbraw/zinc/53/97/00/551539700.db2.gz AFBCJNXMQLQHOG-SSEXGKCCSA-N 1 2 570.642 4.337 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000001103558 551609218 /nfs/dbraw/zinc/60/92/18/551609218.db2.gz DCMGQZFXPKMTHP-DEOSSOPVSA-N 1 2 543.458 4.457 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000001103559 551609189 /nfs/dbraw/zinc/60/91/89/551609189.db2.gz DCMGQZFXPKMTHP-XMMPIXPASA-N 1 2 543.458 4.457 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000001103622 551609246 /nfs/dbraw/zinc/60/92/46/551609246.db2.gz PECCLPHCNWFZGT-QHCPKHFHSA-N 1 2 529.431 4.067 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000001103623 551609232 /nfs/dbraw/zinc/60/92/32/551609232.db2.gz PECCLPHCNWFZGT-HSZRJFAPSA-N 1 2 529.431 4.067 50 30 KIEALO O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Br)cc1 ZINC000001108365 551610513 /nfs/dbraw/zinc/61/05/13/551610513.db2.gz VUQHBPPBJOHLNE-QFIPXVFZSA-N 1 2 524.371 4.085 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000001108365 551610511 /nfs/dbraw/zinc/61/05/11/551610511.db2.gz VUQHBPPBJOHLNE-QFIPXVFZSA-N 1 2 524.371 4.085 50 30 KIEALO O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Br)cc1 ZINC000001108366 551610531 /nfs/dbraw/zinc/61/05/31/551610531.db2.gz VUQHBPPBJOHLNE-JOCHJYFZSA-N 1 2 524.371 4.085 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000001108366 551610529 /nfs/dbraw/zinc/61/05/29/551610529.db2.gz VUQHBPPBJOHLNE-JOCHJYFZSA-N 1 2 524.371 4.085 50 30 KIEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3ccc([N+](=O)[O-])cc3)oc21 ZINC000001109141 551610724 /nfs/dbraw/zinc/61/07/24/551610724.db2.gz YZQDOIIPKFKANR-QFIPXVFZSA-N 1 2 502.483 4.215 50 30 KIEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccc([N+](=O)[O-])cc3)oc21 ZINC000001109142 551610756 /nfs/dbraw/zinc/61/07/56/551610756.db2.gz YZQDOIIPKFKANR-JOCHJYFZSA-N 1 2 502.483 4.215 50 30 KIEALO COc1cccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000001112131 551611631 /nfs/dbraw/zinc/61/16/31/551611631.db2.gz QFZIIJKGPUBGLH-DEOSSOPVSA-N 1 2 533.650 4.428 50 30 KIEALO COc1cccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000001112138 551611621 /nfs/dbraw/zinc/61/16/21/551611621.db2.gz QFZIIJKGPUBGLH-XMMPIXPASA-N 1 2 533.650 4.428 50 30 KIEALO COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000001152933 551619388 /nfs/dbraw/zinc/61/93/88/551619388.db2.gz KLYVBXQWWCLOIE-VWLOTQADSA-N 1 2 505.571 4.356 50 30 KIEALO COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000001152933 551619386 /nfs/dbraw/zinc/61/93/86/551619386.db2.gz KLYVBXQWWCLOIE-VWLOTQADSA-N 1 2 505.571 4.356 50 30 KIEALO COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000001152934 551619400 /nfs/dbraw/zinc/61/94/00/551619400.db2.gz KLYVBXQWWCLOIE-RUZDIDTESA-N 1 2 505.571 4.356 50 30 KIEALO COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000001152934 551619398 /nfs/dbraw/zinc/61/93/98/551619398.db2.gz KLYVBXQWWCLOIE-RUZDIDTESA-N 1 2 505.571 4.356 50 30 KIEALO O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000001451249 551675560 /nfs/dbraw/zinc/67/55/60/551675560.db2.gz JSMASYKJPOYTQQ-QHCPKHFHSA-N 1 2 525.399 4.496 50 30 KIEALO O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000001451250 551675613 /nfs/dbraw/zinc/67/56/13/551675613.db2.gz JSMASYKJPOYTQQ-HSZRJFAPSA-N 1 2 525.399 4.496 50 30 KIEALO O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(Br)cc1 ZINC000001451251 551675621 /nfs/dbraw/zinc/67/56/21/551675621.db2.gz RMTZYZDHQGGUFP-QHCPKHFHSA-N 1 2 525.399 4.496 50 30 KIEALO O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Br)cc1 ZINC000001451252 551675627 /nfs/dbraw/zinc/67/56/27/551675627.db2.gz RMTZYZDHQGGUFP-HSZRJFAPSA-N 1 2 525.399 4.496 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000001477159 551681192 /nfs/dbraw/zinc/68/11/92/551681192.db2.gz UPKAHVCSXSMEFW-DEOSSOPVSA-N 1 2 543.458 4.457 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000001477160 551681256 /nfs/dbraw/zinc/68/12/56/551681256.db2.gz UPKAHVCSXSMEFW-XMMPIXPASA-N 1 2 543.458 4.457 50 30 KIEALO C=CCn1c2ccccc2c2nnc(SCC(=O)Nc3sc4c(c3C(=O)OCC)CC[N@@H+](C)C4)nc21 ZINC000002745936 552173641 /nfs/dbraw/zinc/17/36/41/552173641.db2.gz LXGBTZVHSYUNNC-UHFFFAOYSA-N 1 2 522.656 4.122 50 30 KIEALO C=CCn1c2ccccc2c2nnc(SCC(=O)Nc3sc4c(c3C(=O)OCC)CC[N@H+](C)C4)nc21 ZINC000002745936 552173640 /nfs/dbraw/zinc/17/36/40/552173640.db2.gz LXGBTZVHSYUNNC-UHFFFAOYSA-N 1 2 522.656 4.122 50 30 KIEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000005918767 552511743 /nfs/dbraw/zinc/51/17/43/552511743.db2.gz ZFARADKYOKIZTL-KCWXNJEJSA-N 1 2 564.679 4.498 50 30 KIEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000005918769 552511796 /nfs/dbraw/zinc/51/17/96/552511796.db2.gz ZFARADKYOKIZTL-ONOMSOESSA-N 1 2 564.679 4.498 50 30 KIEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000005918826 552512008 /nfs/dbraw/zinc/51/20/08/552512008.db2.gz ZFARADKYOKIZTL-LGGPFLRQSA-N 1 2 564.679 4.498 50 30 KIEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000005918830 552512021 /nfs/dbraw/zinc/51/20/21/552512021.db2.gz ZFARADKYOKIZTL-PBBNMVCDSA-N 1 2 564.679 4.498 50 30 KIEALO CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000006135986 552540965 /nfs/dbraw/zinc/54/09/65/552540965.db2.gz ORRBHGSMLNFUTB-QFIPXVFZSA-N 1 2 509.404 4.380 50 30 KIEALO CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000006135986 552540963 /nfs/dbraw/zinc/54/09/63/552540963.db2.gz ORRBHGSMLNFUTB-QFIPXVFZSA-N 1 2 509.404 4.380 50 30 KIEALO COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c(OC)c1 ZINC000006239584 552572878 /nfs/dbraw/zinc/57/28/78/552572878.db2.gz NBYTUYUYZZZWTR-MOBKVPTQSA-N 1 2 526.387 4.175 50 30 KIEALO COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000006239634 193875077 /nfs/dbraw/zinc/87/50/77/193875077.db2.gz XALNZSNUVMZPEP-QFIPXVFZSA-N 1 2 526.387 4.331 50 30 KIEALO COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000006279738 193878457 /nfs/dbraw/zinc/87/84/57/193878457.db2.gz LHCJRMZQSTXMHA-JOCHJYFZSA-N 1 2 526.387 4.331 50 30 KIEALO COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000006279738 193878454 /nfs/dbraw/zinc/87/84/54/193878454.db2.gz LHCJRMZQSTXMHA-JOCHJYFZSA-N 1 2 526.387 4.331 50 30 KIEALO COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000006282452 552577543 /nfs/dbraw/zinc/57/75/43/552577543.db2.gz LHCJRMZQSTXMHA-QFIPXVFZSA-N 1 2 526.387 4.331 50 30 KIEALO COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000006282452 552577541 /nfs/dbraw/zinc/57/75/41/552577541.db2.gz LHCJRMZQSTXMHA-QFIPXVFZSA-N 1 2 526.387 4.331 50 30 KIEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008383740 552987481 /nfs/dbraw/zinc/98/74/81/552987481.db2.gz QMMFOENPRDBOBB-RBTNQOKQSA-N 1 2 534.653 4.490 50 30 KIEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008383742 552987499 /nfs/dbraw/zinc/98/74/99/552987499.db2.gz QMMFOENPRDBOBB-KMRXNPHXSA-N 1 2 534.653 4.490 50 30 KIEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008383743 552987390 /nfs/dbraw/zinc/98/73/90/552987390.db2.gz QMMFOENPRDBOBB-LYZGTLIUSA-N 1 2 534.653 4.490 50 30 KIEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008383746 552987533 /nfs/dbraw/zinc/98/75/33/552987533.db2.gz QMMFOENPRDBOBB-PIKZIKFNSA-N 1 2 534.653 4.490 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCCC(C)C ZINC000008383777 552987441 /nfs/dbraw/zinc/98/74/41/552987441.db2.gz NPJPSZHHPZIHRG-GDLZYMKVSA-N 1 2 580.678 4.192 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCCC(C)C ZINC000008383782 552987536 /nfs/dbraw/zinc/98/75/36/552987536.db2.gz NPJPSZHHPZIHRG-LJAQVGFWSA-N 1 2 580.678 4.192 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCc1ccccc1 ZINC000008383799 552987699 /nfs/dbraw/zinc/98/76/99/552987699.db2.gz MUTBMEYNKIBSEN-WJOKGBTCSA-N 1 2 600.668 4.346 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCc1ccccc1 ZINC000008383802 552987652 /nfs/dbraw/zinc/98/76/52/552987652.db2.gz MUTBMEYNKIBSEN-HKBQPEDESA-N 1 2 600.668 4.346 50 30 KIEALO COC(=O)c1ccc(N2C(=O)C[C@H](SC(Nc3ccccc3)=[NH+]Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000008407741 553008863 /nfs/dbraw/zinc/00/88/63/553008863.db2.gz NVWLPXHCSVXIOW-QHCPKHFHSA-N 1 2 517.563 4.045 50 30 KIEALO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000008433372 553028945 /nfs/dbraw/zinc/02/89/45/553028945.db2.gz IBKZBMYPAPMAPD-MUUNZHRXSA-N 1 2 552.668 4.435 50 30 KIEALO CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000008433373 553028800 /nfs/dbraw/zinc/02/88/00/553028800.db2.gz IBKZBMYPAPMAPD-NDEPHWFRSA-N 1 2 552.668 4.435 50 30 KIEALO CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000008441310 553040403 /nfs/dbraw/zinc/04/04/03/553040403.db2.gz GASSMJDHMXZHCW-AREMUKBSSA-N 1 2 520.582 4.141 50 30 KIEALO CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000008441312 553040466 /nfs/dbraw/zinc/04/04/66/553040466.db2.gz GASSMJDHMXZHCW-SANMLTNESA-N 1 2 520.582 4.141 50 30 KIEALO C=CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008441326 553040411 /nfs/dbraw/zinc/04/04/11/553040411.db2.gz YUGIAUUCTWRLSM-AREMUKBSSA-N 1 2 502.567 4.298 50 30 KIEALO C=CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008441331 553040409 /nfs/dbraw/zinc/04/04/09/553040409.db2.gz YUGIAUUCTWRLSM-SANMLTNESA-N 1 2 502.567 4.298 50 30 KIEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3cccnc3)cc2)c1 ZINC000008740623 553132129 /nfs/dbraw/zinc/13/21/29/553132129.db2.gz AAOJDEIHGSONQA-NDEPHWFRSA-N 1 2 527.621 4.270 50 30 KIEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3cccnc3)cc2)c1 ZINC000008740624 553132112 /nfs/dbraw/zinc/13/21/12/553132112.db2.gz AAOJDEIHGSONQA-MUUNZHRXSA-N 1 2 527.621 4.270 50 30 KIEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccncc3)cc2)c1 ZINC000008740715 553132457 /nfs/dbraw/zinc/13/24/57/553132457.db2.gz IMYDWFQXINAZRH-NDEPHWFRSA-N 1 2 527.621 4.270 50 30 KIEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccncc3)cc2)c1 ZINC000008740716 553132509 /nfs/dbraw/zinc/13/25/09/553132509.db2.gz IMYDWFQXINAZRH-MUUNZHRXSA-N 1 2 527.621 4.270 50 30 KIEALO O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Br)cc1 ZINC000008740804 553132428 /nfs/dbraw/zinc/13/24/28/553132428.db2.gz XWPWIMOETXJPHH-KGUVVTLUSA-N 1 2 511.416 4.149 50 30 KIEALO O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(Br)cc1 ZINC000008740805 553132383 /nfs/dbraw/zinc/13/23/83/553132383.db2.gz XWPWIMOETXJPHH-SZIFGRNDSA-N 1 2 511.416 4.149 50 30 KIEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008779211 553144006 /nfs/dbraw/zinc/14/40/06/553144006.db2.gz LVBPRTFAMBCYHC-AREMUKBSSA-N 1 2 508.615 4.173 50 30 KIEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008779212 553144013 /nfs/dbraw/zinc/14/40/13/553144013.db2.gz LVBPRTFAMBCYHC-SANMLTNESA-N 1 2 508.615 4.173 50 30 KIEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000008817046 553152350 /nfs/dbraw/zinc/15/23/50/553152350.db2.gz XMVOQZQLRNSKTD-SANMLTNESA-N 1 2 510.606 4.470 50 30 KIEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000008817047 553152331 /nfs/dbraw/zinc/15/23/31/553152331.db2.gz XMVOQZQLRNSKTD-AREMUKBSSA-N 1 2 510.606 4.470 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2[C@@H]2C=CC(C(C)(C)C)=CC2)cc1OC ZINC000008817479 553152828 /nfs/dbraw/zinc/15/28/28/553152828.db2.gz OIWNGZNKFAXCKU-XOWLUXJPSA-N 1 2 524.658 4.024 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2[C@H]2C=CC(C(C)(C)C)=CC2)cc1OC ZINC000008817482 553152793 /nfs/dbraw/zinc/15/27/93/553152793.db2.gz OIWNGZNKFAXCKU-MMNWYSTPSA-N 1 2 524.658 4.024 50 30 KIEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccc(Cl)cc3)oc21 ZINC000008817840 553153115 /nfs/dbraw/zinc/15/31/15/553153115.db2.gz WOFNMLPETZUGMU-QHCPKHFHSA-N 1 2 510.974 4.395 50 30 KIEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccc(Cl)cc3)oc21 ZINC000008817841 553153123 /nfs/dbraw/zinc/15/31/23/553153123.db2.gz WOFNMLPETZUGMU-HSZRJFAPSA-N 1 2 510.974 4.395 50 30 KIEALO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000008827511 553156669 /nfs/dbraw/zinc/15/66/69/553156669.db2.gz FFRVXHWHJQNRGY-RUZDIDTESA-N 1 2 521.017 4.135 50 30 KIEALO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000008827512 553156580 /nfs/dbraw/zinc/15/65/80/553156580.db2.gz FFRVXHWHJQNRGY-VWLOTQADSA-N 1 2 521.017 4.135 50 30 KIEALO Cc1sc(-c2ccccc2)nc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccs1 ZINC000008827513 553156771 /nfs/dbraw/zinc/15/67/71/553156771.db2.gz JNLYWGXMCHJULL-JOCHJYFZSA-N 1 2 509.653 4.481 50 30 KIEALO Cc1sc(-c2ccccc2)nc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccs1 ZINC000008827514 553156637 /nfs/dbraw/zinc/15/66/37/553156637.db2.gz JNLYWGXMCHJULL-QFIPXVFZSA-N 1 2 509.653 4.481 50 30 KIEALO CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008827752 553157040 /nfs/dbraw/zinc/15/70/40/553157040.db2.gz ZYUZKSIROYUDOT-SANMLTNESA-N 1 2 520.626 4.056 50 30 KIEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3cccc(Cl)c3)oc21 ZINC000008834990 553161511 /nfs/dbraw/zinc/16/15/11/553161511.db2.gz UURZBASXTXQHLN-HSZRJFAPSA-N 1 2 510.974 4.395 50 30 KIEALO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(Cl)c2)cnn1-c1ccccc1 ZINC000008834999 553161426 /nfs/dbraw/zinc/16/14/26/553161426.db2.gz XKXPLZLCYJMHJN-RUZDIDTESA-N 1 2 521.017 4.135 50 30 KIEALO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(Cl)c2)cnn1-c1ccccc1 ZINC000008835000 553161534 /nfs/dbraw/zinc/16/15/34/553161534.db2.gz XKXPLZLCYJMHJN-VWLOTQADSA-N 1 2 521.017 4.135 50 30 KIEALO C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000008835031 553161471 /nfs/dbraw/zinc/16/14/71/553161471.db2.gz JFJVGTQKELBCNX-HHHXNRCGSA-N 1 2 520.626 4.339 50 30 KIEALO C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000008835032 553161488 /nfs/dbraw/zinc/16/14/88/553161488.db2.gz JFJVGTQKELBCNX-MHZLTWQESA-N 1 2 520.626 4.339 50 30 KIEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3cccc(Cl)c3)oc21 ZINC000008835217 553161515 /nfs/dbraw/zinc/16/15/15/553161515.db2.gz UURZBASXTXQHLN-QHCPKHFHSA-N 1 2 510.974 4.395 50 30 KIEALO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000008835848 553162632 /nfs/dbraw/zinc/16/26/32/553162632.db2.gz BMPQMRCYAXHUOO-AREMUKBSSA-N 1 2 502.615 4.067 50 30 KIEALO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(C(C)C)cc1 ZINC000008835849 553162641 /nfs/dbraw/zinc/16/26/41/553162641.db2.gz BMPQMRCYAXHUOO-SANMLTNESA-N 1 2 502.615 4.067 50 30 KIEALO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000008835850 553162605 /nfs/dbraw/zinc/16/26/05/553162605.db2.gz HJUJFLRKRJJIRB-AREMUKBSSA-N 1 2 516.642 4.241 50 30 KIEALO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000008835851 553162613 /nfs/dbraw/zinc/16/26/13/553162613.db2.gz HJUJFLRKRJJIRB-SANMLTNESA-N 1 2 516.642 4.241 50 30 KIEALO CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000008836950 553163543 /nfs/dbraw/zinc/16/35/43/553163543.db2.gz YPCZUOFERLWWPH-UUALVTFQSA-N 1 2 522.642 4.407 50 30 KIEALO CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000008836951 553163554 /nfs/dbraw/zinc/16/35/54/553163554.db2.gz YPCZUOFERLWWPH-ONQGDUAMSA-N 1 2 522.642 4.407 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)c1C ZINC000008837536 553164116 /nfs/dbraw/zinc/16/41/16/553164116.db2.gz ZOTHODUNEWOSEJ-SANMLTNESA-N 1 2 537.657 4.232 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)c1C ZINC000008837537 553164095 /nfs/dbraw/zinc/16/40/95/553164095.db2.gz ZOTHODUNEWOSEJ-AREMUKBSSA-N 1 2 537.657 4.232 50 30 KIEALO CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2c(C)[nH+]c3ccccn32)[C@H]1c1ccc(Br)cc1 ZINC000008837683 553164435 /nfs/dbraw/zinc/16/44/35/553164435.db2.gz BDMDKDXCKRUPIS-IAMBOQNYSA-N 1 2 511.420 4.169 50 30 KIEALO CC[NH+](CC)CCN1C(=O)C(=O)C(=C(O)c2c(C)nc3ccccn32)[C@H]1c1ccc(Br)cc1 ZINC000008837683 553164434 /nfs/dbraw/zinc/16/44/34/553164434.db2.gz BDMDKDXCKRUPIS-IAMBOQNYSA-N 1 2 511.420 4.169 50 30 KIEALO CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2c(C)[nH+]c3ccccn32)[C@@H]1c1ccc(Br)cc1 ZINC000008837684 553164442 /nfs/dbraw/zinc/16/44/42/553164442.db2.gz BDMDKDXCKRUPIS-HFEWCJDKSA-N 1 2 511.420 4.169 50 30 KIEALO CC[NH+](CC)CCN1C(=O)C(=O)C(=C(O)c2c(C)nc3ccccn32)[C@@H]1c1ccc(Br)cc1 ZINC000008837684 553164441 /nfs/dbraw/zinc/16/44/41/553164441.db2.gz BDMDKDXCKRUPIS-HFEWCJDKSA-N 1 2 511.420 4.169 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000008837806 553164417 /nfs/dbraw/zinc/16/44/17/553164417.db2.gz WDLGVVALHOKDES-SANMLTNESA-N 1 2 508.615 4.175 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000008837807 553164457 /nfs/dbraw/zinc/16/44/57/553164457.db2.gz WDLGVVALHOKDES-AREMUKBSSA-N 1 2 508.615 4.175 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000008859528 553169582 /nfs/dbraw/zinc/16/95/82/553169582.db2.gz QCEAYBGGNZXLMO-JOCHJYFZSA-N 1 2 505.398 4.303 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000008859529 553169554 /nfs/dbraw/zinc/16/95/54/553169554.db2.gz QCEAYBGGNZXLMO-QFIPXVFZSA-N 1 2 505.398 4.303 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000008859548 553169672 /nfs/dbraw/zinc/16/96/72/553169672.db2.gz UISUTLBVZSTNKZ-JOCHJYFZSA-N 1 2 505.398 4.303 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000008859549 553169663 /nfs/dbraw/zinc/16/96/63/553169663.db2.gz UISUTLBVZSTNKZ-QFIPXVFZSA-N 1 2 505.398 4.303 50 30 KIEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008859717 553169897 /nfs/dbraw/zinc/16/98/97/553169897.db2.gz PMCCBGBFJZMZCE-HHHXNRCGSA-N 1 2 520.626 4.341 50 30 KIEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008859718 553169856 /nfs/dbraw/zinc/16/98/56/553169856.db2.gz PMCCBGBFJZMZCE-MHZLTWQESA-N 1 2 520.626 4.341 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000008859729 553169882 /nfs/dbraw/zinc/16/98/82/553169882.db2.gz DIRMURGRDFDKLV-AREMUKBSSA-N 1 2 508.615 4.173 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000008859730 553169764 /nfs/dbraw/zinc/16/97/64/553169764.db2.gz DIRMURGRDFDKLV-SANMLTNESA-N 1 2 508.615 4.173 50 30 KIEALO O=C1C=CC(=[NH+]Nc2cccc3ccccc32)C=C1C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000008872340 553173086 /nfs/dbraw/zinc/17/30/86/553173086.db2.gz SSDSSVAUVLJNNS-OPJSZKJISA-N 1 2 539.600 4.265 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000008893080 553176953 /nfs/dbraw/zinc/17/69/53/553176953.db2.gz IYKXYQSQXWBFIW-AREMUKBSSA-N 1 2 522.642 4.302 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000008893086 553177037 /nfs/dbraw/zinc/17/70/37/553177037.db2.gz IYKXYQSQXWBFIW-SANMLTNESA-N 1 2 522.642 4.302 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccncc2)ccc1OCc1ccccc1 ZINC000008905200 553183724 /nfs/dbraw/zinc/18/37/24/553183724.db2.gz UNINQWCCZAGYSH-NDEPHWFRSA-N 1 2 527.621 4.270 50 30 in-vitro KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccncc2)ccc1OCc1ccccc1 ZINC000008905208 553183691 /nfs/dbraw/zinc/18/36/91/553183691.db2.gz UNINQWCCZAGYSH-MUUNZHRXSA-N 1 2 527.621 4.270 50 30 in-vitro KIEALO COc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)ccc1O ZINC000008926642 553191644 /nfs/dbraw/zinc/19/16/44/553191644.db2.gz LMUYKQGCIUXQOY-NRFANRHFSA-N 1 2 512.360 4.028 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1O ZINC000008926642 553191642 /nfs/dbraw/zinc/19/16/42/553191642.db2.gz LMUYKQGCIUXQOY-NRFANRHFSA-N 1 2 512.360 4.028 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(O)cc2)cc1C ZINC000008926873 553191615 /nfs/dbraw/zinc/19/16/15/553191615.db2.gz YKUCFZUCHMBAGP-AREMUKBSSA-N 1 2 508.615 4.180 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(O)cc2)cc1C ZINC000008926874 553191628 /nfs/dbraw/zinc/19/16/28/553191628.db2.gz YKUCFZUCHMBAGP-SANMLTNESA-N 1 2 508.615 4.180 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(O)cc2)ccc1OCC(C)C ZINC000008926883 553191537 /nfs/dbraw/zinc/19/15/37/553191537.db2.gz KYLPYIVVBRHPNH-AREMUKBSSA-N 1 2 508.615 4.036 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(O)cc2)ccc1OCC(C)C ZINC000008926884 553191580 /nfs/dbraw/zinc/19/15/80/553191580.db2.gz KYLPYIVVBRHPNH-SANMLTNESA-N 1 2 508.615 4.036 50 30 KIEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008934765 553193265 /nfs/dbraw/zinc/19/32/65/553193265.db2.gz BZFNYIHTPZQECO-RUZDIDTESA-N 1 2 537.657 4.016 50 30 KIEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008934766 553193195 /nfs/dbraw/zinc/19/31/95/553193195.db2.gz BZFNYIHTPZQECO-VWLOTQADSA-N 1 2 537.657 4.016 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008996578 553197506 /nfs/dbraw/zinc/19/75/06/553197506.db2.gz GPBYKVBPDHHHGT-QFIPXVFZSA-N 1 2 505.398 4.303 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008996579 553197445 /nfs/dbraw/zinc/19/74/45/553197445.db2.gz GPBYKVBPDHHHGT-JOCHJYFZSA-N 1 2 505.398 4.303 50 30 KIEALO CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(C(=O)OC)cc2)cc1Cl ZINC000009007632 553198140 /nfs/dbraw/zinc/19/81/40/553198140.db2.gz AQOYWBKELGJQBB-QHCPKHFHSA-N 1 2 523.973 4.390 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(C(=O)OC)cc2)cc1Cl ZINC000009007632 553198138 /nfs/dbraw/zinc/19/81/38/553198138.db2.gz AQOYWBKELGJQBB-QHCPKHFHSA-N 1 2 523.973 4.390 50 30 KIEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccnc1 ZINC000009008207 553198490 /nfs/dbraw/zinc/19/84/90/553198490.db2.gz VTPCAPXHOATEKH-NDEPHWFRSA-N 1 2 527.621 4.270 50 30 KIEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccnc1 ZINC000009008208 553198542 /nfs/dbraw/zinc/19/85/42/553198542.db2.gz VTPCAPXHOATEKH-MUUNZHRXSA-N 1 2 527.621 4.270 50 30 KIEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(O)cc1 ZINC000009019916 553201213 /nfs/dbraw/zinc/20/12/13/553201213.db2.gz QCQBCGAHSZQRNL-AREMUKBSSA-N 1 2 508.615 4.036 50 30 KIEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(O)cc1 ZINC000009019917 553201159 /nfs/dbraw/zinc/20/11/59/553201159.db2.gz QCQBCGAHSZQRNL-SANMLTNESA-N 1 2 508.615 4.036 50 30 KIEALO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000009043451 553202918 /nfs/dbraw/zinc/20/29/18/553202918.db2.gz PBBLVIOPFIEUNE-UUALVTFQSA-N 1 2 522.642 4.405 50 30 KIEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccncc1 ZINC000009046162 553203783 /nfs/dbraw/zinc/20/37/83/553203783.db2.gz AFUHBFACDLONMH-NDEPHWFRSA-N 1 2 527.621 4.270 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(F)cc2)ccc1OCC(C)C ZINC000009046891 553204451 /nfs/dbraw/zinc/20/44/51/553204451.db2.gz PMXPRFVPCJXWTP-SANMLTNESA-N 1 2 510.606 4.470 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(F)cc2)ccc1OCC(C)C ZINC000009046892 553204441 /nfs/dbraw/zinc/20/44/41/553204441.db2.gz PMXPRFVPCJXWTP-AREMUKBSSA-N 1 2 510.606 4.470 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009066136 553206142 /nfs/dbraw/zinc/20/61/42/553206142.db2.gz MINXCSFAEHRDLQ-QFIPXVFZSA-N 1 2 505.398 4.303 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009066142 553206102 /nfs/dbraw/zinc/20/61/02/553206102.db2.gz MINXCSFAEHRDLQ-JOCHJYFZSA-N 1 2 505.398 4.303 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000009066992 553206386 /nfs/dbraw/zinc/20/63/86/553206386.db2.gz VKMGPSGXIMHGTG-VWLOTQADSA-N 1 2 505.571 4.358 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000009067010 553206402 /nfs/dbraw/zinc/20/64/02/553206402.db2.gz VKMGPSGXIMHGTG-RUZDIDTESA-N 1 2 505.571 4.358 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000009067061 553206375 /nfs/dbraw/zinc/20/63/75/553206375.db2.gz IODYLYKBCYQEJL-JBCNATCCSA-N 1 2 519.823 4.247 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000009067064 553206367 /nfs/dbraw/zinc/20/63/67/553206367.db2.gz IODYLYKBCYQEJL-MRJHHRETSA-N 1 2 519.823 4.247 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000009067484 553206352 /nfs/dbraw/zinc/20/63/52/553206352.db2.gz BYFIXYPKIJRTNQ-DEOSSOPVSA-N 1 2 505.571 4.358 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000009067488 553206389 /nfs/dbraw/zinc/20/63/89/553206389.db2.gz BYFIXYPKIJRTNQ-XMMPIXPASA-N 1 2 505.571 4.358 50 30 KIEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009069547 553206797 /nfs/dbraw/zinc/20/67/97/553206797.db2.gz HHOXDYQJZOULJN-RUZDIDTESA-N 1 2 503.555 4.134 50 30 KIEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009069549 553206789 /nfs/dbraw/zinc/20/67/89/553206789.db2.gz HHOXDYQJZOULJN-VWLOTQADSA-N 1 2 503.555 4.134 50 30 KIEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccncc1 ZINC000009123736 553212605 /nfs/dbraw/zinc/21/26/05/553212605.db2.gz AFUHBFACDLONMH-MUUNZHRXSA-N 1 2 527.621 4.270 50 30 KIEALO COc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1CCC[NH+]1CCOCC1 ZINC000009157951 553214691 /nfs/dbraw/zinc/21/46/91/553214691.db2.gz WSHQCLVCAKPPBS-AREMUKBSSA-N 1 2 508.615 4.031 50 30 KIEALO COc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1CCC[NH+]1CCOCC1 ZINC000009157952 553214624 /nfs/dbraw/zinc/21/46/24/553214624.db2.gz WSHQCLVCAKPPBS-SANMLTNESA-N 1 2 508.615 4.031 50 30 KIEALO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Br)cc1 ZINC000009160893 553215504 /nfs/dbraw/zinc/21/55/04/553215504.db2.gz CFVLXVZKAJSDCR-JOCHJYFZSA-N 1 2 520.387 4.270 50 30 KIEALO Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Br)cc1 ZINC000009160893 553215501 /nfs/dbraw/zinc/21/55/01/553215501.db2.gz CFVLXVZKAJSDCR-JOCHJYFZSA-N 1 2 520.387 4.270 50 30 KIEALO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Br)cc1 ZINC000009160898 553215591 /nfs/dbraw/zinc/21/55/91/553215591.db2.gz CFVLXVZKAJSDCR-QFIPXVFZSA-N 1 2 520.387 4.270 50 30 KIEALO Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Br)cc1 ZINC000009160898 553215590 /nfs/dbraw/zinc/21/55/90/553215590.db2.gz CFVLXVZKAJSDCR-QFIPXVFZSA-N 1 2 520.387 4.270 50 30 KIEALO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000009175886 553216118 /nfs/dbraw/zinc/21/61/18/553216118.db2.gz PBBLVIOPFIEUNE-ONQGDUAMSA-N 1 2 522.642 4.405 50 30 KIEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000009176220 553216206 /nfs/dbraw/zinc/21/62/06/553216206.db2.gz GDWATVHBSGBPSN-UUALVTFQSA-N 1 2 520.626 4.184 50 30 KIEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000009176223 553216218 /nfs/dbraw/zinc/21/62/18/553216218.db2.gz GDWATVHBSGBPSN-ONQGDUAMSA-N 1 2 520.626 4.184 50 30 KIEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009177231 553216279 /nfs/dbraw/zinc/21/62/79/553216279.db2.gz SSCFUUFWWCMOAT-UUALVTFQSA-N 1 2 522.642 4.407 50 30 KIEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009177236 553216324 /nfs/dbraw/zinc/21/63/24/553216324.db2.gz SSCFUUFWWCMOAT-ONQGDUAMSA-N 1 2 522.642 4.407 50 30 KIEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000009185079 553217052 /nfs/dbraw/zinc/21/70/52/553217052.db2.gz FIXPGSIGQZUZDC-RUZDIDTESA-N 1 2 505.571 4.358 50 30 KIEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000009185079 553217050 /nfs/dbraw/zinc/21/70/50/553217050.db2.gz FIXPGSIGQZUZDC-RUZDIDTESA-N 1 2 505.571 4.358 50 30 KIEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000009185086 553217078 /nfs/dbraw/zinc/21/70/78/553217078.db2.gz FIXPGSIGQZUZDC-VWLOTQADSA-N 1 2 505.571 4.358 50 30 KIEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000009185086 553217076 /nfs/dbraw/zinc/21/70/76/553217076.db2.gz FIXPGSIGQZUZDC-VWLOTQADSA-N 1 2 505.571 4.358 50 30 KIEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccnc2)cc1 ZINC000009192781 553218901 /nfs/dbraw/zinc/21/89/01/553218901.db2.gz LOSGMMHHXSLRGY-MUUNZHRXSA-N 1 2 527.621 4.270 50 30 KIEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccnc2)cc1 ZINC000009192782 553218927 /nfs/dbraw/zinc/21/89/27/553218927.db2.gz LOSGMMHHXSLRGY-NDEPHWFRSA-N 1 2 527.621 4.270 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(Cl)cc2)c1C ZINC000009236218 553225645 /nfs/dbraw/zinc/22/56/45/553225645.db2.gz RSJCEAIJTQYUHD-QFIPXVFZSA-N 1 2 510.978 4.327 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(Cl)cc2)c1C ZINC000009236218 553225642 /nfs/dbraw/zinc/22/56/42/553225642.db2.gz RSJCEAIJTQYUHD-QFIPXVFZSA-N 1 2 510.978 4.327 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(Cl)cc2)c1C ZINC000009236227 553225669 /nfs/dbraw/zinc/22/56/69/553225669.db2.gz RSJCEAIJTQYUHD-JOCHJYFZSA-N 1 2 510.978 4.327 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(Cl)cc2)c1C ZINC000009236227 553225667 /nfs/dbraw/zinc/22/56/67/553225667.db2.gz RSJCEAIJTQYUHD-JOCHJYFZSA-N 1 2 510.978 4.327 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(Cl)c2)c1C ZINC000009237347 553225837 /nfs/dbraw/zinc/22/58/37/553225837.db2.gz XPYZKIPUHRLPEC-QFIPXVFZSA-N 1 2 510.978 4.327 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(Cl)c2)c1C ZINC000009237347 553225836 /nfs/dbraw/zinc/22/58/36/553225836.db2.gz XPYZKIPUHRLPEC-QFIPXVFZSA-N 1 2 510.978 4.327 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(Cl)c2)c1C ZINC000009237354 553225826 /nfs/dbraw/zinc/22/58/26/553225826.db2.gz XPYZKIPUHRLPEC-JOCHJYFZSA-N 1 2 510.978 4.327 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(Cl)c2)c1C ZINC000009237354 553225825 /nfs/dbraw/zinc/22/58/25/553225825.db2.gz XPYZKIPUHRLPEC-JOCHJYFZSA-N 1 2 510.978 4.327 50 30 KIEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009271355 553230769 /nfs/dbraw/zinc/23/07/69/553230769.db2.gz JRNGTEVTPSPFDK-CJJGVWJISA-N 1 2 508.615 4.018 50 30 KIEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009271356 553230757 /nfs/dbraw/zinc/23/07/57/553230757.db2.gz JRNGTEVTPSPFDK-CZNAVJSXSA-N 1 2 508.615 4.018 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000009309882 553238571 /nfs/dbraw/zinc/23/85/71/553238571.db2.gz DFCUNIPYFBRJRR-NRFANRHFSA-N 1 2 519.823 4.403 50 30 KIEALO N#C[C@H](C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000009309939 553238605 /nfs/dbraw/zinc/23/86/05/553238605.db2.gz FBVIGIQIHGKDGD-SPNSGGJLSA-N 1 2 516.649 4.431 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000009310105 553238676 /nfs/dbraw/zinc/23/86/76/553238676.db2.gz DFCUNIPYFBRJRR-OAQYLSRUSA-N 1 2 519.823 4.403 50 30 KIEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccncc2)cc1 ZINC000009312348 553240392 /nfs/dbraw/zinc/24/03/92/553240392.db2.gz HYWMFTMINIKJSP-NDEPHWFRSA-N 1 2 527.621 4.270 50 30 KIEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccco2)cc1 ZINC000009312443 553240360 /nfs/dbraw/zinc/24/03/60/553240360.db2.gz YNARGLJZKUFZIT-HHHXNRCGSA-N 1 2 516.594 4.468 50 30 KIEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccncc2)cc1 ZINC000009313096 553240961 /nfs/dbraw/zinc/24/09/61/553240961.db2.gz HYWMFTMINIKJSP-MUUNZHRXSA-N 1 2 527.621 4.270 50 30 KIEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccco2)cc1 ZINC000009313129 553240902 /nfs/dbraw/zinc/24/09/02/553240902.db2.gz YNARGLJZKUFZIT-MHZLTWQESA-N 1 2 516.594 4.468 50 30 KIEALO CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000009353646 553245525 /nfs/dbraw/zinc/24/55/25/553245525.db2.gz GHLYMHVOGUYNCQ-RUZDIDTESA-N 1 2 503.555 4.112 50 30 KIEALO CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000009353648 553245593 /nfs/dbraw/zinc/24/55/93/553245593.db2.gz GHLYMHVOGUYNCQ-VWLOTQADSA-N 1 2 503.555 4.112 50 30 KIEALO CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CCC[NH+]1CCOCC1 ZINC000009359340 553247954 /nfs/dbraw/zinc/24/79/54/553247954.db2.gz JTJYZBZDVKKVRF-CJJGVWJISA-N 1 2 508.615 4.017 50 30 KIEALO CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CCC[NH+]1CCOCC1 ZINC000009359344 553247930 /nfs/dbraw/zinc/24/79/30/553247930.db2.gz JTJYZBZDVKKVRF-CZNAVJSXSA-N 1 2 508.615 4.017 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000009380547 553251917 /nfs/dbraw/zinc/25/19/17/553251917.db2.gz HTPHJCFJNOYBKJ-HXUWFJFHSA-N 1 2 511.332 4.222 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000009380548 553251945 /nfs/dbraw/zinc/25/19/45/553251945.db2.gz HTPHJCFJNOYBKJ-FQEVSTJZSA-N 1 2 511.332 4.222 50 30 KIEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009993581 553324218 /nfs/dbraw/zinc/32/42/18/553324218.db2.gz MQRFDLGZXYUBJJ-HHHXNRCGSA-N 1 2 520.626 4.259 50 30 KIEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009993583 553324202 /nfs/dbraw/zinc/32/42/02/553324202.db2.gz MQRFDLGZXYUBJJ-MHZLTWQESA-N 1 2 520.626 4.259 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000009993812 553324049 /nfs/dbraw/zinc/32/40/49/553324049.db2.gz JSIQTRJOQRLGEA-AREMUKBSSA-N 1 2 508.615 4.093 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000009993814 553324071 /nfs/dbraw/zinc/32/40/71/553324071.db2.gz JSIQTRJOQRLGEA-SANMLTNESA-N 1 2 508.615 4.093 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1C ZINC000009993847 553324407 /nfs/dbraw/zinc/32/44/07/553324407.db2.gz CIICBXKWLWHGPN-HHHXNRCGSA-N 1 2 521.658 4.150 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)cc1C ZINC000009993848 553324427 /nfs/dbraw/zinc/32/44/27/553324427.db2.gz CIICBXKWLWHGPN-MHZLTWQESA-N 1 2 521.658 4.150 50 30 KIEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC=C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009994045 553324368 /nfs/dbraw/zinc/32/43/68/553324368.db2.gz VXDFQJMPPOBZNF-MUUNZHRXSA-N 1 2 532.637 4.425 50 30 KIEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC=C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009994046 553324399 /nfs/dbraw/zinc/32/43/99/553324399.db2.gz VXDFQJMPPOBZNF-NDEPHWFRSA-N 1 2 532.637 4.425 50 30 KIEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009994135 553324646 /nfs/dbraw/zinc/32/46/46/553324646.db2.gz KKHDXTDRTIDLNZ-HHHXNRCGSA-N 1 2 520.626 4.259 50 30 KIEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009994136 553324726 /nfs/dbraw/zinc/32/47/26/553324726.db2.gz KKHDXTDRTIDLNZ-MHZLTWQESA-N 1 2 520.626 4.259 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC)cc2)c(C)c1 ZINC000009994292 553324700 /nfs/dbraw/zinc/32/47/00/553324700.db2.gz XCEYGRBDLDOVLZ-AREMUKBSSA-N 1 2 508.615 4.093 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC)cc2)c(C)c1 ZINC000009994294 553324669 /nfs/dbraw/zinc/32/46/69/553324669.db2.gz XCEYGRBDLDOVLZ-SANMLTNESA-N 1 2 508.615 4.093 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000009994312 553324933 /nfs/dbraw/zinc/32/49/33/553324933.db2.gz SZIWAFBWBHWYOC-HHHXNRCGSA-N 1 2 521.658 4.150 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000009994314 553324839 /nfs/dbraw/zinc/32/48/39/553324839.db2.gz SZIWAFBWBHWYOC-MHZLTWQESA-N 1 2 521.658 4.150 50 30 KIEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC=C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009994458 553324862 /nfs/dbraw/zinc/32/48/62/553324862.db2.gz SVGHSWSHDRTGTQ-MUUNZHRXSA-N 1 2 532.637 4.425 50 30 KIEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC=C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009994460 553324844 /nfs/dbraw/zinc/32/48/44/553324844.db2.gz SVGHSWSHDRTGTQ-NDEPHWFRSA-N 1 2 532.637 4.425 50 30 KIEALO CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000012344013 553358837 /nfs/dbraw/zinc/35/88/37/553358837.db2.gz ZYUZKSIROYUDOT-AREMUKBSSA-N 1 2 520.626 4.056 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccnc2)ccc1OCc1ccccc1 ZINC000013552977 553470958 /nfs/dbraw/zinc/47/09/58/553470958.db2.gz QZFTVSQWMKGSGR-MUUNZHRXSA-N 1 2 527.621 4.270 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccnc2)ccc1OCc1ccccc1 ZINC000013552978 553470961 /nfs/dbraw/zinc/47/09/61/553470961.db2.gz QZFTVSQWMKGSGR-NDEPHWFRSA-N 1 2 527.621 4.270 50 30 KIEALO COc1ccccc1CNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CC[NH+](/C=C/c2ccccc2)CC1 ZINC000013563978 553472084 /nfs/dbraw/zinc/47/20/84/553472084.db2.gz XPHXSJCFRGTXSQ-DACFSCGWSA-N 1 2 518.621 4.355 50 30 KIEALO COc1ccccc1CNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[NH+](/C=C/c2ccccc2)CC1 ZINC000013563980 553472042 /nfs/dbraw/zinc/47/20/42/553472042.db2.gz XPHXSJCFRGTXSQ-KVACCUTFSA-N 1 2 518.621 4.355 50 30 KIEALO N#C[C@@H](C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000013799384 553491035 /nfs/dbraw/zinc/49/10/35/553491035.db2.gz FBVIGIQIHGKDGD-WKMZLRSWSA-N 1 2 516.649 4.431 50 30 KIEALO CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000015837160 553537455 /nfs/dbraw/zinc/53/74/55/553537455.db2.gz HXMIIGDBNXUJSX-DCFHFQCYSA-N 1 2 504.627 4.434 50 30 KIEALO CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000015837164 553537449 /nfs/dbraw/zinc/53/74/49/553537449.db2.gz HXMIIGDBNXUJSX-CCLHPLFOSA-N 1 2 504.627 4.434 50 30 KIEALO CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000015837167 553537492 /nfs/dbraw/zinc/53/74/92/553537492.db2.gz HXMIIGDBNXUJSX-HRFSGMKKSA-N 1 2 504.627 4.434 50 30 KIEALO CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000015837171 553537408 /nfs/dbraw/zinc/53/74/08/553537408.db2.gz HXMIIGDBNXUJSX-NFQMXDRXSA-N 1 2 504.627 4.434 50 30 KIEALO C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000015880219 553539920 /nfs/dbraw/zinc/53/99/20/553539920.db2.gz FPDSMWCOWOYTHQ-UHFFFAOYSA-N 1 2 508.669 4.316 50 30 KIEALO C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000015880219 553539917 /nfs/dbraw/zinc/53/99/17/553539917.db2.gz FPDSMWCOWOYTHQ-UHFFFAOYSA-N 1 2 508.669 4.316 50 30 KIEALO Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccs1 ZINC000016319514 553560047 /nfs/dbraw/zinc/56/00/47/553560047.db2.gz IBNZMXFXLNMQLQ-OAQYLSRUSA-N 1 2 509.653 4.481 50 30 KIEALO Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccs1 ZINC000016319516 553560021 /nfs/dbraw/zinc/56/00/21/553560021.db2.gz IBNZMXFXLNMQLQ-NRFANRHFSA-N 1 2 509.653 4.481 50 30 KIEALO CCc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2cccc(CC)c2)C(=O)N(C(C)C)C1=O ZINC000016571116 553567922 /nfs/dbraw/zinc/56/79/22/553567922.db2.gz PUKCWMSBXXRNNE-UHFFFAOYSA-O 1 2 500.406 4.443 50 30 KIEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccc1F ZINC000016713714 553575211 /nfs/dbraw/zinc/57/52/11/553575211.db2.gz AJIQQUZKZVNTEJ-AREMUKBSSA-N 1 2 510.606 4.470 50 30 KIEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccc1F ZINC000016713716 553575203 /nfs/dbraw/zinc/57/52/03/553575203.db2.gz AJIQQUZKZVNTEJ-SANMLTNESA-N 1 2 510.606 4.470 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1F ZINC000016729064 553575574 /nfs/dbraw/zinc/57/55/74/553575574.db2.gz HCDCCDMIWFYUKB-JOCHJYFZSA-N 1 2 523.388 4.442 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1F ZINC000016729067 553575609 /nfs/dbraw/zinc/57/56/09/553575609.db2.gz HCDCCDMIWFYUKB-QFIPXVFZSA-N 1 2 523.388 4.442 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1F ZINC000016729120 553575598 /nfs/dbraw/zinc/57/55/98/553575598.db2.gz NUMDRABUXPNTLB-RUZDIDTESA-N 1 2 510.606 4.432 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1F ZINC000016729123 553575624 /nfs/dbraw/zinc/57/56/24/553575624.db2.gz NUMDRABUXPNTLB-VWLOTQADSA-N 1 2 510.606 4.432 50 30 KIEALO CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(O)c(OC)c2)cc1Cl ZINC000016733779 553578101 /nfs/dbraw/zinc/57/81/01/553578101.db2.gz PVGXFRXHSQAGJF-HSZRJFAPSA-N 1 2 511.962 4.318 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(O)c(OC)c2)cc1Cl ZINC000016733779 553578099 /nfs/dbraw/zinc/57/80/99/553578099.db2.gz PVGXFRXHSQAGJF-HSZRJFAPSA-N 1 2 511.962 4.318 50 30 KIEALO CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(O)c(OC)c2)cc1Cl ZINC000016733782 553578135 /nfs/dbraw/zinc/57/81/35/553578135.db2.gz PVGXFRXHSQAGJF-QHCPKHFHSA-N 1 2 511.962 4.318 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(O)c(OC)c2)cc1Cl ZINC000016733782 553578134 /nfs/dbraw/zinc/57/81/34/553578134.db2.gz PVGXFRXHSQAGJF-QHCPKHFHSA-N 1 2 511.962 4.318 50 30 KIEALO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(OCc3ccccc3)c2)o1 ZINC000016735242 553578647 /nfs/dbraw/zinc/57/86/47/553578647.db2.gz GFNJXRHXAALFQQ-HHHXNRCGSA-N 1 2 516.594 4.468 50 30 KIEALO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(OCc3ccccc3)c2)o1 ZINC000016735245 553578706 /nfs/dbraw/zinc/57/87/06/553578706.db2.gz GFNJXRHXAALFQQ-MHZLTWQESA-N 1 2 516.594 4.468 50 30 KIEALO CCOc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000016736600 553579093 /nfs/dbraw/zinc/57/90/93/553579093.db2.gz NVCMQAOPQVCYRK-LCIVRZSQSA-N 1 2 520.626 4.184 50 30 KIEALO CCOc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000016736602 553579060 /nfs/dbraw/zinc/57/90/60/553579060.db2.gz NVCMQAOPQVCYRK-IHOQCVISSA-N 1 2 520.626 4.184 50 30 KIEALO COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c(OC)c1 ZINC000017919888 553600711 /nfs/dbraw/zinc/60/07/11/553600711.db2.gz ORAHJGASSFUPIE-JOCHJYFZSA-N 1 2 526.387 4.331 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)ccc1O ZINC000018032821 553601866 /nfs/dbraw/zinc/60/18/66/553601866.db2.gz LMUYKQGCIUXQOY-OAQYLSRUSA-N 1 2 512.360 4.028 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1O ZINC000018032821 553601865 /nfs/dbraw/zinc/60/18/65/553601865.db2.gz LMUYKQGCIUXQOY-OAQYLSRUSA-N 1 2 512.360 4.028 50 30 KIEALO CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000018054865 553602077 /nfs/dbraw/zinc/60/20/77/553602077.db2.gz ORRBHGSMLNFUTB-JOCHJYFZSA-N 1 2 509.404 4.380 50 30 KIEALO CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000018054865 553602074 /nfs/dbraw/zinc/60/20/74/553602074.db2.gz ORRBHGSMLNFUTB-JOCHJYFZSA-N 1 2 509.404 4.380 50 30 KIEALO COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000018066797 553603151 /nfs/dbraw/zinc/60/31/51/553603151.db2.gz XALNZSNUVMZPEP-JOCHJYFZSA-N 1 2 526.387 4.331 50 30 KIEALO CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1C[NH+]1CCN(CC#N)CC1 ZINC000019817681 553618868 /nfs/dbraw/zinc/61/88/68/553618868.db2.gz QVGLIRWCSHRFFD-UHFFFAOYSA-N 1 2 511.420 4.219 50 30 biogenic KIEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000019997504 553652950 /nfs/dbraw/zinc/65/29/50/553652950.db2.gz GDSQJCOKUOFXJC-OAQYLSRUSA-N 1 2 519.823 4.403 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000019997508 553653011 /nfs/dbraw/zinc/65/30/11/553653011.db2.gz GDSQJCOKUOFXJC-NRFANRHFSA-N 1 2 519.823 4.403 50 30 KIEALO Cc1ccc(S(=O)(=O)NC2=C(N3CC[NH+](Cc4ccccc4)CC3)C(=O)c3ccccc3C2=O)cc1 ZINC000020024775 553663470 /nfs/dbraw/zinc/66/34/70/553663470.db2.gz YYXJUFGQIVHBIP-GNVQSUKOSA-N 1 2 501.608 4.066 50 30 KIEALO C=CCNC(=S)N1CC[NH+]([C@H]2c3cccc4cccc(c34)[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020057151 553671016 /nfs/dbraw/zinc/67/10/16/553671016.db2.gz KGGARYKKQPKCEC-DQEYMECFSA-N 1 2 527.115 4.246 50 30 KIEALO C=CCNC(=S)N1CC[NH+]([C@H]2c3cccc4cccc(c34)[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020057153 553670957 /nfs/dbraw/zinc/67/09/57/553670957.db2.gz KGGARYKKQPKCEC-RPBOFIJWSA-N 1 2 527.115 4.246 50 30 KIEALO C=CCNC(=S)N1CC[NH+]([C@@H]2c3cccc4cccc(c34)[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020057155 553671032 /nfs/dbraw/zinc/67/10/32/553671032.db2.gz KGGARYKKQPKCEC-LOSJGSFVSA-N 1 2 527.115 4.246 50 30 KIEALO C=CCNC(=S)N1CC[NH+]([C@@H]2c3cccc4cccc(c34)[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020057157 553671100 /nfs/dbraw/zinc/67/11/00/553671100.db2.gz KGGARYKKQPKCEC-JWQCQUIFSA-N 1 2 527.115 4.246 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000020057926 553671431 /nfs/dbraw/zinc/67/14/31/553671431.db2.gz NJZGCCWXLNTPCM-OAQYLSRUSA-N 1 2 519.823 4.403 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000020057927 553671362 /nfs/dbraw/zinc/67/13/62/553671362.db2.gz NJZGCCWXLNTPCM-NRFANRHFSA-N 1 2 519.823 4.403 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000020171209 553601930 /nfs/dbraw/zinc/60/19/30/553601930.db2.gz IQXLVNDVKXAMNT-AREMUKBSSA-N 1 2 508.615 4.128 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000020171211 553602181 /nfs/dbraw/zinc/60/21/81/553602181.db2.gz IQXLVNDVKXAMNT-SANMLTNESA-N 1 2 508.615 4.128 50 30 KIEALO CC1(C)CC(=O)C2=C(C1)Nc1nc(SCC[NH+]3CCOCC3)[nH]c(=O)c1[C@@H]2c1ccc(Cl)cc1 ZINC000020181736 553604226 /nfs/dbraw/zinc/60/42/26/553604226.db2.gz ILTATAJUTJYZHB-LJQANCHMSA-N 1 2 501.052 4.048 50 30 KIEALO CC1(C)CC(=O)C2=C(C1)Nc1nc(SCC[NH+]3CCOCC3)[nH]c(=O)c1[C@H]2c1ccc(Cl)cc1 ZINC000020181738 553604252 /nfs/dbraw/zinc/60/42/52/553604252.db2.gz ILTATAJUTJYZHB-IBGZPJMESA-N 1 2 501.052 4.048 50 30 KIEALO CCOc1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020219380 553615122 /nfs/dbraw/zinc/61/51/22/553615122.db2.gz JEUWIDWTVPHIBQ-VWLOTQADSA-N 1 2 520.582 4.141 50 30 KIEALO CCOc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020219381 553615013 /nfs/dbraw/zinc/61/50/13/553615013.db2.gz JEUWIDWTVPHIBQ-RUZDIDTESA-N 1 2 520.582 4.141 50 30 KIEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020230443 553617024 /nfs/dbraw/zinc/61/70/24/553617024.db2.gz BUVHYVZXLKIGAZ-MHZLTWQESA-N 1 2 520.626 4.339 50 30 KIEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020230446 553617103 /nfs/dbraw/zinc/61/71/03/553617103.db2.gz BUVHYVZXLKIGAZ-HHHXNRCGSA-N 1 2 520.626 4.339 50 30 KIEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccco3)cc2)c1 ZINC000020231168 553617382 /nfs/dbraw/zinc/61/73/82/553617382.db2.gz SJSKFNKTPLBMFD-HHHXNRCGSA-N 1 2 516.594 4.468 50 30 KIEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccco3)cc2)c1 ZINC000020231172 553617394 /nfs/dbraw/zinc/61/73/94/553617394.db2.gz SJSKFNKTPLBMFD-MHZLTWQESA-N 1 2 516.594 4.468 50 30 KIEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000020231626 553617360 /nfs/dbraw/zinc/61/73/60/553617360.db2.gz WZIVRNJKFYHPCY-SANMLTNESA-N 1 2 508.615 4.093 50 30 KIEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000020231629 553617537 /nfs/dbraw/zinc/61/75/37/553617537.db2.gz WZIVRNJKFYHPCY-AREMUKBSSA-N 1 2 508.615 4.093 50 30 KIEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OCC=C)cc2)cc1 ZINC000020233606 553619196 /nfs/dbraw/zinc/61/91/96/553619196.db2.gz SMKRJENAXDWNJD-HHHXNRCGSA-N 1 2 518.610 4.117 50 30 KIEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OCC=C)cc2)cc1 ZINC000020233610 553619089 /nfs/dbraw/zinc/61/90/89/553619089.db2.gz SMKRJENAXDWNJD-MHZLTWQESA-N 1 2 518.610 4.117 50 30 KIEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020233896 553619749 /nfs/dbraw/zinc/61/97/49/553619749.db2.gz DKAIAXCSEUUSGD-DEOSSOPVSA-N 1 2 515.006 4.048 50 30 KIEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020233900 553619737 /nfs/dbraw/zinc/61/97/37/553619737.db2.gz DKAIAXCSEUUSGD-XMMPIXPASA-N 1 2 515.006 4.048 50 30 KIEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020263185 553629341 /nfs/dbraw/zinc/62/93/41/553629341.db2.gz QFLXTHNYMLWXCT-SANMLTNESA-N 1 2 508.615 4.175 50 30 KIEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020263188 553629451 /nfs/dbraw/zinc/62/94/51/553629451.db2.gz QFLXTHNYMLWXCT-AREMUKBSSA-N 1 2 508.615 4.175 50 30 KIEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000020264467 553629764 /nfs/dbraw/zinc/62/97/64/553629764.db2.gz PXFKRQVFAPIPMD-MHZLTWQESA-N 1 2 520.626 4.341 50 30 KIEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000020264470 553629746 /nfs/dbraw/zinc/62/97/46/553629746.db2.gz PXFKRQVFAPIPMD-HHHXNRCGSA-N 1 2 520.626 4.341 50 30 KIEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000020265150 553629819 /nfs/dbraw/zinc/62/98/19/553629819.db2.gz SWXCYKLGZHVGKQ-DEOSSOPVSA-N 1 2 515.006 4.048 50 30 KIEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000020265153 553629795 /nfs/dbraw/zinc/62/97/95/553629795.db2.gz SWXCYKLGZHVGKQ-XMMPIXPASA-N 1 2 515.006 4.048 50 30 KIEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000020280621 553631062 /nfs/dbraw/zinc/63/10/62/553631062.db2.gz QSBVWZATGQMRHH-SANMLTNESA-N 1 2 508.615 4.093 50 30 KIEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000020280626 553630991 /nfs/dbraw/zinc/63/09/91/553630991.db2.gz QSBVWZATGQMRHH-AREMUKBSSA-N 1 2 508.615 4.093 50 30 KIEALO CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000020292401 553635371 /nfs/dbraw/zinc/63/53/71/553635371.db2.gz ANFDXOOOXVWVFV-KMRXNPHXSA-N 1 2 534.653 4.490 50 30 KIEALO CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000020292404 553635432 /nfs/dbraw/zinc/63/54/32/553635432.db2.gz ANFDXOOOXVWVFV-RBTNQOKQSA-N 1 2 534.653 4.490 50 30 KIEALO CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000020292407 553635298 /nfs/dbraw/zinc/63/52/98/553635298.db2.gz ANFDXOOOXVWVFV-PIKZIKFNSA-N 1 2 534.653 4.490 50 30 KIEALO CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000020292411 553635421 /nfs/dbraw/zinc/63/54/21/553635421.db2.gz ANFDXOOOXVWVFV-LYZGTLIUSA-N 1 2 534.653 4.490 50 30 KIEALO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@@H]1c1cccc(OC)c1 ZINC000020309261 553636743 /nfs/dbraw/zinc/63/67/43/553636743.db2.gz BILBAOGDOALIHP-QFIPXVFZSA-N 1 2 517.420 4.474 50 30 KIEALO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@H]1c1cccc(OC)c1 ZINC000020309263 553636868 /nfs/dbraw/zinc/63/68/68/553636868.db2.gz BILBAOGDOALIHP-JOCHJYFZSA-N 1 2 517.420 4.474 50 30 KIEALO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@@H]1c1ccc(OC)cc1 ZINC000020309266 553636751 /nfs/dbraw/zinc/63/67/51/553636751.db2.gz WLSLVTPJRPIMHX-QFIPXVFZSA-N 1 2 517.420 4.474 50 30 KIEALO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@H]1c1ccc(OC)cc1 ZINC000020309268 553636693 /nfs/dbraw/zinc/63/66/93/553636693.db2.gz WLSLVTPJRPIMHX-JOCHJYFZSA-N 1 2 517.420 4.474 50 30 KIEALO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@@H]1c1cccc(OC)c1 ZINC000020309298 553636714 /nfs/dbraw/zinc/63/67/14/553636714.db2.gz WNIZXLKFVHUYIQ-NRFANRHFSA-N 1 2 503.393 4.083 50 30 KIEALO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@H]1c1cccc(OC)c1 ZINC000020309301 553636874 /nfs/dbraw/zinc/63/68/74/553636874.db2.gz WNIZXLKFVHUYIQ-OAQYLSRUSA-N 1 2 503.393 4.083 50 30 KIEALO CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000020329906 553639403 /nfs/dbraw/zinc/63/94/03/553639403.db2.gz JDQVESYLBDJIBE-DCFHFQCYSA-N 1 2 520.626 4.099 50 30 KIEALO CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000020329911 553639412 /nfs/dbraw/zinc/63/94/12/553639412.db2.gz JDQVESYLBDJIBE-CCLHPLFOSA-N 1 2 520.626 4.099 50 30 KIEALO CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000020329916 553639487 /nfs/dbraw/zinc/63/94/87/553639487.db2.gz JDQVESYLBDJIBE-HRFSGMKKSA-N 1 2 520.626 4.099 50 30 KIEALO CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000020329920 553639389 /nfs/dbraw/zinc/63/93/89/553639389.db2.gz JDQVESYLBDJIBE-NFQMXDRXSA-N 1 2 520.626 4.099 50 30 KIEALO CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CCC[NH+]1CCOCC1 ZINC000020358274 553642945 /nfs/dbraw/zinc/64/29/45/553642945.db2.gz NZZWDPCWHCNZPC-SANMLTNESA-N 1 2 508.615 4.173 50 30 KIEALO CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CCC[NH+]1CCOCC1 ZINC000020358275 553642840 /nfs/dbraw/zinc/64/28/40/553642840.db2.gz NZZWDPCWHCNZPC-AREMUKBSSA-N 1 2 508.615 4.173 50 30 KIEALO COc1cccc(NC(=S)N/N=C2/c3ccccc3N(C[N@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)C2=O)c1 ZINC000020685873 553688924 /nfs/dbraw/zinc/68/89/24/553688924.db2.gz NKOOQXANNPGGHZ-KVCVADHSSA-N 1 2 528.682 4.209 50 30 KIEALO COc1cccc(NC(=S)N/N=C2/c3ccccc3N(C[N@@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)C2=O)c1 ZINC000020685873 553688922 /nfs/dbraw/zinc/68/89/22/553688922.db2.gz NKOOQXANNPGGHZ-KVCVADHSSA-N 1 2 528.682 4.209 50 30 KIEALO N#Cc1ccc(C(=O)N2CCC[N@H+](Cc3cc(=O)c(OCc4ccc(C(F)(F)F)cc4)co3)CC2)cc1 ZINC000022672240 553749465 /nfs/dbraw/zinc/74/94/65/553749465.db2.gz MRHQSOXTRFZLRP-UHFFFAOYSA-N 1 2 511.500 4.457 50 30 KIEALO N#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3cc(=O)c(OCc4ccc(C(F)(F)F)cc4)co3)CC2)cc1 ZINC000022672240 553749461 /nfs/dbraw/zinc/74/94/61/553749461.db2.gz MRHQSOXTRFZLRP-UHFFFAOYSA-N 1 2 511.500 4.457 50 30 KIEALO COc1cccc([C@@H](C[NH+]2CCN(C(=O)NCc3ccccc3OC)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023434380 553776526 /nfs/dbraw/zinc/77/65/26/553776526.db2.gz VBBJIMVWQGVRPA-GDLZYMKVSA-N 1 2 514.626 4.361 50 30 KIEALO COc1cccc([C@H](C[NH+]2CCN(C(=O)NCc3ccccc3OC)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023434384 553776545 /nfs/dbraw/zinc/77/65/45/553776545.db2.gz VBBJIMVWQGVRPA-LJAQVGFWSA-N 1 2 514.626 4.361 50 30 KIEALO COc1cccc([C@@H](C[NH+]2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023439876 553777953 /nfs/dbraw/zinc/77/79/53/553777953.db2.gz LLYOZPZGSBNWPS-MUUNZHRXSA-N 1 2 503.574 4.430 50 30 KIEALO COc1cccc([C@H](C[NH+]2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023439880 553777927 /nfs/dbraw/zinc/77/79/27/553777927.db2.gz LLYOZPZGSBNWPS-NDEPHWFRSA-N 1 2 503.574 4.430 50 30 KIEALO COc1cccc([C@@H](C[NH+]2CCN(C(=O)c3cccnc3SC)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023441567 553778777 /nfs/dbraw/zinc/77/87/77/553778777.db2.gz FVIGBQSFECDKGQ-AREMUKBSSA-N 1 2 502.640 4.400 50 30 KIEALO COc1cccc([C@H](C[NH+]2CCN(C(=O)c3cccnc3SC)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023441571 553778818 /nfs/dbraw/zinc/77/88/18/553778818.db2.gz FVIGBQSFECDKGQ-SANMLTNESA-N 1 2 502.640 4.400 50 30 KIEALO COC(=O)c1ccc(C(=O)N2CC[NH+](C[C@@H](OCc3ccc(C#N)cc3)c3cccc(OC)c3)CC2)cc1 ZINC000023443229 553779405 /nfs/dbraw/zinc/77/94/05/553779405.db2.gz PXFZXAVFQNAZFJ-MUUNZHRXSA-N 1 2 513.594 4.069 50 30 KIEALO COC(=O)c1ccc(C(=O)N2CC[NH+](C[C@H](OCc3ccc(C#N)cc3)c3cccc(OC)c3)CC2)cc1 ZINC000023443231 553779337 /nfs/dbraw/zinc/77/93/37/553779337.db2.gz PXFZXAVFQNAZFJ-NDEPHWFRSA-N 1 2 513.594 4.069 50 30 KIEALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccc(C#N)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000023443996 553779444 /nfs/dbraw/zinc/77/94/44/553779444.db2.gz BBOONPZFMHNLIB-NDEPHWFRSA-N 1 2 513.594 4.069 50 30 KIEALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccc(C#N)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000023444000 553779367 /nfs/dbraw/zinc/77/93/67/553779367.db2.gz BBOONPZFMHNLIB-MUUNZHRXSA-N 1 2 513.594 4.069 50 30 KIEALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3cccc(C#N)c3)CC2)c2cccc(OC)c2)cc1 ZINC000023444919 553779582 /nfs/dbraw/zinc/77/95/82/553779582.db2.gz FYWWJCYCDMZDKO-NDEPHWFRSA-N 1 2 513.594 4.069 50 30 KIEALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3cccc(C#N)c3)CC2)c2cccc(OC)c2)cc1 ZINC000023444922 553779653 /nfs/dbraw/zinc/77/96/53/553779653.db2.gz FYWWJCYCDMZDKO-MUUNZHRXSA-N 1 2 513.594 4.069 50 30 KIEALO Cc1noc(C)c1C(=O)N1CC[NH+](C[C@@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1 ZINC000023445181 553779910 /nfs/dbraw/zinc/77/99/10/553779910.db2.gz IBRSMUZXVRNWCW-MUUNZHRXSA-N 1 2 513.642 4.479 50 30 KIEALO Cc1noc(C)c1C(=O)N1CC[NH+](C[C@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1 ZINC000023445185 553779922 /nfs/dbraw/zinc/77/99/22/553779922.db2.gz IBRSMUZXVRNWCW-NDEPHWFRSA-N 1 2 513.642 4.479 50 30 KIEALO COc1cccc([C@@H](C[NH+]2CCN(C(=O)Cc3ccc(OC)c(OC)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023445573 553779941 /nfs/dbraw/zinc/77/99/41/553779941.db2.gz IJSRSCQHMFNZAB-SSEXGKCCSA-N 1 2 529.637 4.229 50 30 KIEALO COc1cccc([C@H](C[NH+]2CCN(C(=O)Cc3ccc(OC)c(OC)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023445576 553779927 /nfs/dbraw/zinc/77/99/27/553779927.db2.gz IJSRSCQHMFNZAB-PMERELPUSA-N 1 2 529.637 4.229 50 30 KIEALO COc1cccc([C@@H](C[NH+]2CCN(C(=O)c3ccc(OC)cc3OC)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023445962 553780333 /nfs/dbraw/zinc/78/03/33/553780333.db2.gz DYRNDRSMUCKMDL-GDLZYMKVSA-N 1 2 515.610 4.300 50 30 KIEALO COc1cccc([C@H](C[NH+]2CCN(C(=O)c3ccc(OC)cc3OC)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023445965 553780344 /nfs/dbraw/zinc/78/03/44/553780344.db2.gz DYRNDRSMUCKMDL-LJAQVGFWSA-N 1 2 515.610 4.300 50 30 KIEALO COC(=O)c1ccccc1NC(=O)N1CC[NH+](C[C@@H](OCc2ccc(C#N)cc2)c2cccc(OC)c2)CC1 ZINC000023447317 553780804 /nfs/dbraw/zinc/78/08/04/553780804.db2.gz ABGNBSQEXMZNNE-MUUNZHRXSA-N 1 2 528.609 4.461 50 30 KIEALO COC(=O)c1ccccc1NC(=O)N1CC[NH+](C[C@H](OCc2ccc(C#N)cc2)c2cccc(OC)c2)CC1 ZINC000023447319 553780891 /nfs/dbraw/zinc/78/08/91/553780891.db2.gz ABGNBSQEXMZNNE-NDEPHWFRSA-N 1 2 528.609 4.461 50 30 KIEALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)OCc2ccc(C)cc2)c1 ZINC000023449054 553781338 /nfs/dbraw/zinc/78/13/38/553781338.db2.gz IPYCCIKKPXZHQV-MUUNZHRXSA-N 1 2 505.640 4.140 50 30 KIEALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)OCc2ccc(C)cc2)c1 ZINC000023449056 553781312 /nfs/dbraw/zinc/78/13/12/553781312.db2.gz IPYCCIKKPXZHQV-NDEPHWFRSA-N 1 2 505.640 4.140 50 30 KIEALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)OCc2ccc(C)cc2)c1 ZINC000023450412 553781856 /nfs/dbraw/zinc/78/18/56/553781856.db2.gz SSGLCYMXVSTRLY-HHHXNRCGSA-N 1 2 505.640 4.140 50 30 KIEALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)OCc2ccc(C)cc2)c1 ZINC000023450415 553781927 /nfs/dbraw/zinc/78/19/27/553781927.db2.gz SSGLCYMXVSTRLY-MHZLTWQESA-N 1 2 505.640 4.140 50 30 KIEALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023453458 553782968 /nfs/dbraw/zinc/78/29/68/553782968.db2.gz RRGRWJJCDGVMOY-HHHXNRCGSA-N 1 2 526.058 4.485 50 30 KIEALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023453461 553783005 /nfs/dbraw/zinc/78/30/05/553783005.db2.gz RRGRWJJCDGVMOY-MHZLTWQESA-N 1 2 526.058 4.485 50 30 KIEALO COc1cccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c2ccc(Cl)cc2)c1 ZINC000023453962 553782974 /nfs/dbraw/zinc/78/29/74/553782974.db2.gz QPRMGIYDHPEIPY-MHZLTWQESA-N 1 2 526.058 4.485 50 30 KIEALO COc1cccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c2ccc(Cl)cc2)c1 ZINC000023453964 553783015 /nfs/dbraw/zinc/78/30/15/553783015.db2.gz QPRMGIYDHPEIPY-HHHXNRCGSA-N 1 2 526.058 4.485 50 30 KIEALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023454061 553783206 /nfs/dbraw/zinc/78/32/06/553783206.db2.gz FORHTRYLGIHGRX-HHHXNRCGSA-N 1 2 526.058 4.485 50 30 KIEALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023454063 553783215 /nfs/dbraw/zinc/78/32/15/553783215.db2.gz FORHTRYLGIHGRX-MHZLTWQESA-N 1 2 526.058 4.485 50 30 KIEALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)OCc2cccc(Cl)c2)c1 ZINC000023454623 553783563 /nfs/dbraw/zinc/78/35/63/553783563.db2.gz GQFHMJOOENJVEX-HHHXNRCGSA-N 1 2 526.058 4.485 50 30 KIEALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)OCc2cccc(Cl)c2)c1 ZINC000023454625 553783570 /nfs/dbraw/zinc/78/35/70/553783570.db2.gz GQFHMJOOENJVEX-MHZLTWQESA-N 1 2 526.058 4.485 50 30 KIEALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023454691 553783594 /nfs/dbraw/zinc/78/35/94/553783594.db2.gz JILUFKJUNWTQBC-MUUNZHRXSA-N 1 2 523.630 4.279 50 30 KIEALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023454693 553783553 /nfs/dbraw/zinc/78/35/53/553783553.db2.gz JILUFKJUNWTQBC-NDEPHWFRSA-N 1 2 523.630 4.279 50 30 KIEALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3Cl)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023454765 553783582 /nfs/dbraw/zinc/78/35/82/553783582.db2.gz ZEWFJZSWEZNDQA-AREMUKBSSA-N 1 2 526.058 4.485 50 30 KIEALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3Cl)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023454767 553783566 /nfs/dbraw/zinc/78/35/66/553783566.db2.gz ZEWFJZSWEZNDQA-SANMLTNESA-N 1 2 526.058 4.485 50 30 KIEALO COc1cccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccc(Cl)cc2)c1 ZINC000023454809 553783536 /nfs/dbraw/zinc/78/35/36/553783536.db2.gz UVDDDJWEEXBZKU-SANMLTNESA-N 1 2 526.058 4.485 50 30 KIEALO COc1cccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccc(Cl)cc2)c1 ZINC000023454812 553783544 /nfs/dbraw/zinc/78/35/44/553783544.db2.gz UVDDDJWEEXBZKU-AREMUKBSSA-N 1 2 526.058 4.485 50 30 KIEALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)OCc2cccc(Cl)c2)c1 ZINC000023455671 553783796 /nfs/dbraw/zinc/78/37/96/553783796.db2.gz DREUFMNYIIVYIP-AREMUKBSSA-N 1 2 526.058 4.485 50 30 KIEALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)OCc2cccc(Cl)c2)c1 ZINC000023455674 553783806 /nfs/dbraw/zinc/78/38/06/553783806.db2.gz DREUFMNYIIVYIP-SANMLTNESA-N 1 2 526.058 4.485 50 30 KIEALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3cc(C)ccc3F)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023455680 553783810 /nfs/dbraw/zinc/78/38/10/553783810.db2.gz FCWKTOOKSSCODI-HHHXNRCGSA-N 1 2 523.630 4.279 50 30 KIEALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3cc(C)ccc3F)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023455683 553783823 /nfs/dbraw/zinc/78/38/23/553783823.db2.gz FCWKTOOKSSCODI-MHZLTWQESA-N 1 2 523.630 4.279 50 30 KIEALO COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC1CC[NH+](Cc2ccccc2)CC1 ZINC000025329906 553806410 /nfs/dbraw/zinc/80/64/10/553806410.db2.gz NVTDVDYVDJVTOR-UHFFFAOYSA-N 1 2 509.588 4.468 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000027569869 553834876 /nfs/dbraw/zinc/83/48/76/553834876.db2.gz GZMGNTQKMZBCLO-HXUWFJFHSA-N 1 2 511.332 4.222 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000027569873 553834970 /nfs/dbraw/zinc/83/49/70/553834970.db2.gz GZMGNTQKMZBCLO-FQEVSTJZSA-N 1 2 511.332 4.222 50 30 KIEALO CCN(CC)C(=O)[C@@H]1CCCN(c2ccccc2C=[NH+]Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCC[C@@H](C(=O)N(CC)CC)C2)C1 ZINC000029492773 553846184 /nfs/dbraw/zinc/84/61/84/553846184.db2.gz MLXCEFTXQBXKST-KSJUSNELSA-N 1 2 669.849 4.395 50 30 KIEALO CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N[NH+]=Cc2ccccc2N2CCC[C@H](C(=O)N(CC)CC)C2)C1 ZINC000029492777 553846100 /nfs/dbraw/zinc/84/61/00/553846100.db2.gz MLXCEFTXQBXKST-FYLAFNGZSA-N 1 2 669.849 4.395 50 30 KIEALO C=CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)[C@H](c2cccc(F)c2)N(C(=O)CC(C)C)CC3)CC1 ZINC000034685617 553987116 /nfs/dbraw/zinc/98/71/16/553987116.db2.gz NGPLDOWFTZUPIP-ZTOMLWHTSA-N 1 2 507.650 4.443 50 30 KIEALO C=CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)[C@@H](c2cccc(F)c2)N(C(=O)CC(C)C)CC3)CC1 ZINC000034685618 553986956 /nfs/dbraw/zinc/98/69/56/553986956.db2.gz NGPLDOWFTZUPIP-PZGXJGMVSA-N 1 2 507.650 4.443 50 30 KIEALO C=CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc3c(c2)[C@H](c2cccc(F)c2)N(C(=O)CC(C)C)CC3)CC1 ZINC000034685619 553987093 /nfs/dbraw/zinc/98/70/93/553987093.db2.gz NGPLDOWFTZUPIP-MNNSJKJDSA-N 1 2 507.650 4.443 50 30 KIEALO C=CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc3c(c2)[C@@H](c2cccc(F)c2)N(C(=O)CC(C)C)CC3)CC1 ZINC000034685620 553987103 /nfs/dbraw/zinc/98/71/03/553987103.db2.gz NGPLDOWFTZUPIP-KPURRNSFSA-N 1 2 507.650 4.443 50 30 KIEALO C=CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)[C@H](c2ccc(F)cc2)N(C(=O)CC(C)C)CC3)CC1 ZINC000034685641 553987330 /nfs/dbraw/zinc/98/73/30/553987330.db2.gz PDQDSDOJJRKDBJ-ZTOMLWHTSA-N 1 2 507.650 4.443 50 30 KIEALO C=CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)[C@@H](c2ccc(F)cc2)N(C(=O)CC(C)C)CC3)CC1 ZINC000034685642 553987296 /nfs/dbraw/zinc/98/72/96/553987296.db2.gz PDQDSDOJJRKDBJ-PZGXJGMVSA-N 1 2 507.650 4.443 50 30 KIEALO C=CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc3c(c2)[C@H](c2ccc(F)cc2)N(C(=O)CC(C)C)CC3)CC1 ZINC000034685643 553987374 /nfs/dbraw/zinc/98/73/74/553987374.db2.gz PDQDSDOJJRKDBJ-MNNSJKJDSA-N 1 2 507.650 4.443 50 30 KIEALO C=CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc3c(c2)[C@@H](c2ccc(F)cc2)N(C(=O)CC(C)C)CC3)CC1 ZINC000034685644 553987260 /nfs/dbraw/zinc/98/72/60/553987260.db2.gz PDQDSDOJJRKDBJ-KPURRNSFSA-N 1 2 507.650 4.443 50 30 KIEALO C=CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)[C@@H](c2cccc(C)c2)N(C(=O)c2ccco2)CC3)CC1 ZINC000034685699 553987433 /nfs/dbraw/zinc/98/74/33/553987433.db2.gz GPVSLFFPVJYHDY-MUAVYFROSA-N 1 2 513.638 4.473 50 30 KIEALO C=CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)[C@H](c2cccc(C)c2)N(C(=O)c2ccco2)CC3)CC1 ZINC000034685700 553987322 /nfs/dbraw/zinc/98/73/22/553987322.db2.gz GPVSLFFPVJYHDY-IADCTJSHSA-N 1 2 513.638 4.473 50 30 KIEALO C=CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc3c(c2)[C@@H](c2cccc(C)c2)N(C(=O)c2ccco2)CC3)CC1 ZINC000034685701 553987386 /nfs/dbraw/zinc/98/73/86/553987386.db2.gz GPVSLFFPVJYHDY-RNWIMVQKSA-N 1 2 513.638 4.473 50 30 KIEALO C=CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc3c(c2)[C@H](c2cccc(C)c2)N(C(=O)c2ccco2)CC3)CC1 ZINC000034685702 553987470 /nfs/dbraw/zinc/98/74/70/553987470.db2.gz GPVSLFFPVJYHDY-BTYSJIOQSA-N 1 2 513.638 4.473 50 30 KIEALO C=CC[NH+]1CCN(C(=O)COc2ccc3c(c2)[C@@H](c2cccc(C)c2)N(C(=O)c2ccccc2)CC3)CC1 ZINC000034685709 553987648 /nfs/dbraw/zinc/98/76/48/553987648.db2.gz OXSYKHUTUZVDIQ-WJOKGBTCSA-N 1 2 509.650 4.492 50 30 KIEALO C=CC[NH+]1CCN(C(=O)COc2ccc3c(c2)[C@H](c2cccc(C)c2)N(C(=O)c2ccccc2)CC3)CC1 ZINC000034685710 553987667 /nfs/dbraw/zinc/98/76/67/553987667.db2.gz OXSYKHUTUZVDIQ-HKBQPEDESA-N 1 2 509.650 4.492 50 30 KIEALO C=CCOc1cccc2c1cc(C(=O)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)n2C[C@@H]1CCCCO1 ZINC000035927843 554101162 /nfs/dbraw/zinc/10/11/62/554101162.db2.gz NHRAYPMHYFJEMD-QHCPKHFHSA-N 1 2 517.626 4.462 50 30 KIEALO C=CCOc1cccc2c1cc(C(=O)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)n2C[C@H]1CCCCO1 ZINC000035927844 554101434 /nfs/dbraw/zinc/10/14/34/554101434.db2.gz NHRAYPMHYFJEMD-HSZRJFAPSA-N 1 2 517.626 4.462 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)C(C(=O)OCC)=C1C[NH+]1CCC(C(=O)OCC)CC1 ZINC000035990980 554123795 /nfs/dbraw/zinc/12/37/95/554123795.db2.gz XTOJACJQAOIVCY-QFIPXVFZSA-N 1 2 524.445 4.338 50 30 KIEALO C=CCN1C(=O)N[C@H](c2ccc(Cl)c(Cl)c2)C(C(=O)OCC)=C1C[NH+]1CCC(C(=O)OCC)CC1 ZINC000035990981 554123817 /nfs/dbraw/zinc/12/38/17/554123817.db2.gz XTOJACJQAOIVCY-JOCHJYFZSA-N 1 2 524.445 4.338 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[NH+]1CCC(C(=O)OCC)CC1 ZINC000035991198 554123694 /nfs/dbraw/zinc/12/36/94/554123694.db2.gz BYIMUKXBZIFTGT-QFIPXVFZSA-N 1 2 524.445 4.338 50 30 KIEALO C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[NH+]1CCC(C(=O)OCC)CC1 ZINC000035991199 554123679 /nfs/dbraw/zinc/12/36/79/554123679.db2.gz BYIMUKXBZIFTGT-JOCHJYFZSA-N 1 2 524.445 4.338 50 30 KIEALO C=CC[N@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@H](O)COc1ccccc1 ZINC000036207745 554202652 /nfs/dbraw/zinc/20/26/52/554202652.db2.gz KUYOBRKPPMEHLE-IBGZPJMESA-N 1 2 507.612 4.097 50 30 KIEALO C=CC[N@@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@H](O)COc1ccccc1 ZINC000036207745 554202649 /nfs/dbraw/zinc/20/26/49/554202649.db2.gz KUYOBRKPPMEHLE-IBGZPJMESA-N 1 2 507.612 4.097 50 30 KIEALO C=CC[N@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@@H](O)COc1ccccc1 ZINC000036207746 554202485 /nfs/dbraw/zinc/20/24/85/554202485.db2.gz KUYOBRKPPMEHLE-LJQANCHMSA-N 1 2 507.612 4.097 50 30 KIEALO C=CC[N@@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@@H](O)COc1ccccc1 ZINC000036207746 554202481 /nfs/dbraw/zinc/20/24/81/554202481.db2.gz KUYOBRKPPMEHLE-LJQANCHMSA-N 1 2 507.612 4.097 50 30 KIEALO O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccc(Br)c1 ZINC000038139806 554261430 /nfs/dbraw/zinc/26/14/30/554261430.db2.gz ULYISGGDROTNDR-JOCHJYFZSA-N 1 2 524.371 4.085 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000038139806 554261428 /nfs/dbraw/zinc/26/14/28/554261428.db2.gz ULYISGGDROTNDR-JOCHJYFZSA-N 1 2 524.371 4.085 50 30 KIEALO O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccc(Br)c1 ZINC000038139807 554261329 /nfs/dbraw/zinc/26/13/29/554261329.db2.gz ULYISGGDROTNDR-QFIPXVFZSA-N 1 2 524.371 4.085 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000038139807 554261326 /nfs/dbraw/zinc/26/13/26/554261326.db2.gz ULYISGGDROTNDR-QFIPXVFZSA-N 1 2 524.371 4.085 50 30 KIEALO COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(Br)c2)c1C ZINC000053291004 554331641 /nfs/dbraw/zinc/33/16/41/554331641.db2.gz MFEMUKOXXBITFF-OAQYLSRUSA-N 1 2 541.402 4.046 50 30 KIEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(Br)c2)c1C ZINC000053291004 554331638 /nfs/dbraw/zinc/33/16/38/554331638.db2.gz MFEMUKOXXBITFF-OAQYLSRUSA-N 1 2 541.402 4.046 50 30 KIEALO COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(Br)c2)c1C ZINC000053291008 554331671 /nfs/dbraw/zinc/33/16/71/554331671.db2.gz MFEMUKOXXBITFF-NRFANRHFSA-N 1 2 541.402 4.046 50 30 KIEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(Br)c2)c1C ZINC000053291008 554331668 /nfs/dbraw/zinc/33/16/68/554331668.db2.gz MFEMUKOXXBITFF-NRFANRHFSA-N 1 2 541.402 4.046 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000053305809 554332896 /nfs/dbraw/zinc/33/28/96/554332896.db2.gz INAPBVVANKDCBK-CMJOXMDJSA-N 1 2 568.424 4.352 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000053305809 554332894 /nfs/dbraw/zinc/33/28/94/554332894.db2.gz INAPBVVANKDCBK-CMJOXMDJSA-N 1 2 568.424 4.352 50 30 KIEALO COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(Br)cc2)c1C ZINC000053319181 554336620 /nfs/dbraw/zinc/33/66/20/554336620.db2.gz VQRKDTQECCZXNO-OAQYLSRUSA-N 1 2 541.402 4.046 50 30 KIEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(Br)cc2)c1C ZINC000053319181 554336619 /nfs/dbraw/zinc/33/66/19/554336619.db2.gz VQRKDTQECCZXNO-OAQYLSRUSA-N 1 2 541.402 4.046 50 30 KIEALO COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(Br)cc2)c1C ZINC000053319182 554336684 /nfs/dbraw/zinc/33/66/84/554336684.db2.gz VQRKDTQECCZXNO-NRFANRHFSA-N 1 2 541.402 4.046 50 30 KIEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(Br)cc2)c1C ZINC000053319182 554336682 /nfs/dbraw/zinc/33/66/82/554336682.db2.gz VQRKDTQECCZXNO-NRFANRHFSA-N 1 2 541.402 4.046 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(Br)cc2)c1C ZINC000053319257 554336778 /nfs/dbraw/zinc/33/67/78/554336778.db2.gz LUMCIBLLXNWITK-JOCHJYFZSA-N 1 2 555.429 4.436 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(Br)cc2)c1C ZINC000053319257 554336774 /nfs/dbraw/zinc/33/67/74/554336774.db2.gz LUMCIBLLXNWITK-JOCHJYFZSA-N 1 2 555.429 4.436 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(Br)cc2)c1C ZINC000053319258 554336906 /nfs/dbraw/zinc/33/69/06/554336906.db2.gz LUMCIBLLXNWITK-QFIPXVFZSA-N 1 2 555.429 4.436 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(Br)cc2)c1C ZINC000053319258 554336902 /nfs/dbraw/zinc/33/69/02/554336902.db2.gz LUMCIBLLXNWITK-QFIPXVFZSA-N 1 2 555.429 4.436 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(Br)c2)c1C ZINC000053319288 554337220 /nfs/dbraw/zinc/33/72/20/554337220.db2.gz ALWFTOCGMAXLCK-JOCHJYFZSA-N 1 2 555.429 4.436 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(Br)c2)c1C ZINC000053319288 554337217 /nfs/dbraw/zinc/33/72/17/554337217.db2.gz ALWFTOCGMAXLCK-JOCHJYFZSA-N 1 2 555.429 4.436 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(Br)c2)c1C ZINC000053319289 554337354 /nfs/dbraw/zinc/33/73/54/554337354.db2.gz ALWFTOCGMAXLCK-QFIPXVFZSA-N 1 2 555.429 4.436 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(Br)c2)c1C ZINC000053319289 554337351 /nfs/dbraw/zinc/33/73/51/554337351.db2.gz ALWFTOCGMAXLCK-QFIPXVFZSA-N 1 2 555.429 4.436 50 30 KIEALO CC1(C)CC(=O)C2=C(C1)Nc1nc(SCC[NH+]3CCOCC3)[nH]c(=O)c1[C@H]2c1ccc(Br)cc1 ZINC000059522975 554404215 /nfs/dbraw/zinc/40/42/15/554404215.db2.gz ONKCWJXAKZKEMJ-IBGZPJMESA-N 1 2 545.503 4.157 50 30 KIEALO CC1(C)CC(=O)C2=C(C1)Nc1nc(SCC[NH+]3CCOCC3)[nH]c(=O)c1[C@@H]2c1ccc(Br)cc1 ZINC000059522979 554404417 /nfs/dbraw/zinc/40/44/17/554404417.db2.gz ONKCWJXAKZKEMJ-LJQANCHMSA-N 1 2 545.503 4.157 50 30 KIEALO C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34/C=[NH+]/CCc3ccc(F)cc3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000070673657 553603998 /nfs/dbraw/zinc/60/39/98/553603998.db2.gz GIMYQAYEDROUKU-QDIYMNNXSA-N 1 2 525.661 4.152 50 30 biogenic KIEALO COc1ccc(CC/[NH+]=C/[C@]23CC[C@H](O)C[C@@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]23O)cc1OC ZINC000070692358 553611396 /nfs/dbraw/zinc/61/13/96/553611396.db2.gz DUKDVBVPSCXKKO-VVVKYUKUSA-N 1 2 567.723 4.030 50 30 biogenic KIEALO C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34/C=[NH+]/CCc3ccccc3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000070698813 553614918 /nfs/dbraw/zinc/61/49/18/553614918.db2.gz WWBNAOCXNFIQQZ-GWROSSDJSA-N 1 2 507.671 4.013 50 30 biogenic KIEALO C[C@@H](CCc1ccco1)/[NH+]=C/[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O ZINC000070698916 553615014 /nfs/dbraw/zinc/61/50/14/553615014.db2.gz HYOVTNBCVIWXTH-MLLGUGLSSA-N 1 2 525.686 4.384 50 30 biogenic KIEALO C[C@H](CCc1ccco1)/[NH+]=C/[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O ZINC000070698923 553615351 /nfs/dbraw/zinc/61/53/51/553615351.db2.gz HYOVTNBCVIWXTH-BUGVXWOESA-N 1 2 525.686 4.384 50 30 biogenic KIEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000094988286 553697729 /nfs/dbraw/zinc/69/77/29/553697729.db2.gz AHCYJHMNEBNVJX-HFJWLAOPSA-N 1 2 517.582 4.282 50 30 KIEALO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000094988287 553697701 /nfs/dbraw/zinc/69/77/01/553697701.db2.gz AHCYJHMNEBNVJX-QYBDOPJKSA-N 1 2 517.582 4.282 50 30 KIEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000094988288 553697795 /nfs/dbraw/zinc/69/77/95/553697795.db2.gz AHCYJHMNEBNVJX-WXTAPIANSA-N 1 2 517.582 4.282 50 30 KIEALO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000094988289 553697803 /nfs/dbraw/zinc/69/78/03/553697803.db2.gz AHCYJHMNEBNVJX-DWXRJYCRSA-N 1 2 517.582 4.282 50 30 KIEALO COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000095006835 553697658 /nfs/dbraw/zinc/69/76/58/553697658.db2.gz PVFIGRRPEUEXBM-HSZRJFAPSA-N 1 2 511.962 4.231 50 30 KIEALO COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000095006837 553697680 /nfs/dbraw/zinc/69/76/80/553697680.db2.gz PVFIGRRPEUEXBM-QHCPKHFHSA-N 1 2 511.962 4.231 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(OC)c2OC)cc1Cl ZINC000095006838 553697755 /nfs/dbraw/zinc/69/77/55/553697755.db2.gz RGFDUQVAXSMXMY-JOCHJYFZSA-N 1 2 511.962 4.231 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(OC)c2OC)cc1Cl ZINC000095006839 553697686 /nfs/dbraw/zinc/69/76/86/553697686.db2.gz RGFDUQVAXSMXMY-QFIPXVFZSA-N 1 2 511.962 4.231 50 30 KIEALO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccc(Br)c1 ZINC000095481561 553701797 /nfs/dbraw/zinc/70/17/97/553701797.db2.gz JIAIRQNLHPBWQF-QFIPXVFZSA-N 1 2 520.387 4.270 50 30 KIEALO Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccc(Br)c1 ZINC000095481561 553701795 /nfs/dbraw/zinc/70/17/95/553701795.db2.gz JIAIRQNLHPBWQF-QFIPXVFZSA-N 1 2 520.387 4.270 50 30 KIEALO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccc(Br)c1 ZINC000095481562 553701829 /nfs/dbraw/zinc/70/18/29/553701829.db2.gz JIAIRQNLHPBWQF-JOCHJYFZSA-N 1 2 520.387 4.270 50 30 KIEALO Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccc(Br)c1 ZINC000095481562 553701828 /nfs/dbraw/zinc/70/18/28/553701828.db2.gz JIAIRQNLHPBWQF-JOCHJYFZSA-N 1 2 520.387 4.270 50 30 KIEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000095483302 553702157 /nfs/dbraw/zinc/70/21/57/553702157.db2.gz KIHONEJWVVZFEB-RUZDIDTESA-N 1 2 503.555 4.112 50 30 KIEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000095483303 553702091 /nfs/dbraw/zinc/70/20/91/553702091.db2.gz KIHONEJWVVZFEB-VWLOTQADSA-N 1 2 503.555 4.112 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000095483806 553702417 /nfs/dbraw/zinc/70/24/17/553702417.db2.gz VMOTVLPALRLYJF-HSZRJFAPSA-N 1 2 511.962 4.231 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000095483807 553702458 /nfs/dbraw/zinc/70/24/58/553702458.db2.gz VMOTVLPALRLYJF-QHCPKHFHSA-N 1 2 511.962 4.231 50 30 KIEALO CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(/C=N/N5CC[NH+](C)CC5)c(c(O)c4c(O)c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000095544552 553703416 /nfs/dbraw/zinc/70/34/16/553703416.db2.gz JQXXHWHPUNPDRT-YOPQJBRCSA-N 1 2 822.953 4.335 50 30 in-man KIEALO CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1Cl ZINC000096101638 553724326 /nfs/dbraw/zinc/72/43/26/553724326.db2.gz AQOYWBKELGJQBB-HSZRJFAPSA-N 1 2 523.973 4.390 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1Cl ZINC000096101638 553724324 /nfs/dbraw/zinc/72/43/24/553724324.db2.gz AQOYWBKELGJQBB-HSZRJFAPSA-N 1 2 523.973 4.390 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000096101643 553724265 /nfs/dbraw/zinc/72/42/65/553724265.db2.gz AFXYABHGVVGAED-HXUWFJFHSA-N 1 2 511.332 4.222 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000096101644 553724294 /nfs/dbraw/zinc/72/42/94/553724294.db2.gz AFXYABHGVVGAED-FQEVSTJZSA-N 1 2 511.332 4.222 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000096295544 553748508 /nfs/dbraw/zinc/74/85/08/553748508.db2.gz DONUCZRELMNQHX-RUZDIDTESA-N 1 2 505.571 4.358 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000096295545 553748551 /nfs/dbraw/zinc/74/85/51/553748551.db2.gz DONUCZRELMNQHX-VWLOTQADSA-N 1 2 505.571 4.358 50 30 KIEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000096781208 553757250 /nfs/dbraw/zinc/75/72/50/553757250.db2.gz PTASEEWHQNQHJC-RUZDIDTESA-N 1 2 505.571 4.358 50 30 KIEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000096781209 553757385 /nfs/dbraw/zinc/75/73/85/553757385.db2.gz PTASEEWHQNQHJC-VWLOTQADSA-N 1 2 505.571 4.358 50 30 KIEALO CCCCCCCCCCCCCCCCCCNc1nc(N(CCO)CCO)[nH+]c(N(CCO)CCO)n1 ZINC000097950575 553804762 /nfs/dbraw/zinc/80/47/62/553804762.db2.gz QRSRKFFLIKCZGU-UHFFFAOYSA-N 1 2 554.821 4.127 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000097952232 553814213 /nfs/dbraw/zinc/81/42/13/553814213.db2.gz TUFWLYWOQDGOAV-HSZRJFAPSA-N 1 2 533.408 4.065 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000097952233 553814089 /nfs/dbraw/zinc/81/40/89/553814089.db2.gz TUFWLYWOQDGOAV-QHCPKHFHSA-N 1 2 533.408 4.065 50 30 KIEALO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccccc2)c1C[NH+]1CCN(CC#N)CC1 ZINC000097952581 553817107 /nfs/dbraw/zinc/81/71/07/553817107.db2.gz MVGXFVITUMDGKC-UHFFFAOYSA-N 1 2 539.430 4.136 50 30 KIEALO C=CCN1C(C(=O)c2ccccc2)=C(OC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2S1(=O)=O ZINC000097952656 553817727 /nfs/dbraw/zinc/81/77/27/553817727.db2.gz NWQBVCIRVYDSHE-UHFFFAOYSA-N 1 2 544.629 4.118 50 30 KIEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000097953941 553819952 /nfs/dbraw/zinc/81/99/52/553819952.db2.gz WBOYXRTXDCQNFP-AREMUKBSSA-N 1 2 533.581 4.120 50 30 KIEALO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000097953942 553820074 /nfs/dbraw/zinc/82/00/74/553820074.db2.gz WBOYXRTXDCQNFP-SANMLTNESA-N 1 2 533.581 4.120 50 30 KIEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000097954053 553820902 /nfs/dbraw/zinc/82/09/02/553820902.db2.gz NRWNMDVWKGLHQM-HHHXNRCGSA-N 1 2 545.592 4.286 50 30 KIEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000097954054 553820824 /nfs/dbraw/zinc/82/08/24/553820824.db2.gz NRWNMDVWKGLHQM-MHZLTWQESA-N 1 2 545.592 4.286 50 30 KIEALO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CCC#N)CCC#N)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000097963440 553890128 /nfs/dbraw/zinc/89/01/28/553890128.db2.gz FBNBFBGIEYUFHG-UHFFFAOYSA-N 1 2 591.715 4.163 50 30 KIEALO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CCC#N)CCC#N)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000097963440 553890126 /nfs/dbraw/zinc/89/01/26/553890126.db2.gz FBNBFBGIEYUFHG-UHFFFAOYSA-N 1 2 591.715 4.163 50 30 KIEALO Cc1ccc(S(=O)(=O)/N=C(/C[NH2+]Cc2ccccc2)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2C(C)C)cc1 ZINC000097965434 553904493 /nfs/dbraw/zinc/90/44/93/553904493.db2.gz FPBMOKLQJNSIJW-LQSGJKBQSA-N 1 2 568.765 4.169 50 30 KIEALO Cc1ccc(S(=O)(=O)/N=C(/C[NH2+]Cc2ccccc2)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2C(C)C)cc1 ZINC000097965435 553904514 /nfs/dbraw/zinc/90/45/14/553904514.db2.gz FPBMOKLQJNSIJW-JEGMNNDESA-N 1 2 568.765 4.169 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(Br)c2)cc1C ZINC000097966850 553911039 /nfs/dbraw/zinc/91/10/39/553911039.db2.gz GSALEWFCIDRNJS-QHCPKHFHSA-N 1 2 529.431 4.067 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000097966851 553911238 /nfs/dbraw/zinc/91/12/38/553911238.db2.gz GSALEWFCIDRNJS-HSZRJFAPSA-N 1 2 529.431 4.067 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000097966881 553911601 /nfs/dbraw/zinc/91/16/01/553911601.db2.gz PXFRCDYUMSWKEI-MHZLTWQESA-N 1 2 538.641 4.045 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000097966882 553911594 /nfs/dbraw/zinc/91/15/94/553911594.db2.gz PXFRCDYUMSWKEI-HHHXNRCGSA-N 1 2 538.641 4.045 50 30 KIEALO COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1OC ZINC000097966919 553911943 /nfs/dbraw/zinc/91/19/43/553911943.db2.gz AIXWPARFZMFGHO-SANMLTNESA-N 1 2 538.641 4.100 50 30 KIEALO COc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1OC ZINC000097966920 553911924 /nfs/dbraw/zinc/91/19/24/553911924.db2.gz AIXWPARFZMFGHO-AREMUKBSSA-N 1 2 538.641 4.100 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1OCC(C)C ZINC000097966979 553912655 /nfs/dbraw/zinc/91/26/55/553912655.db2.gz YIASQRAYZJNJOH-SANMLTNESA-N 1 2 537.613 4.239 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1OCC(C)C ZINC000097966980 553912635 /nfs/dbraw/zinc/91/26/35/553912635.db2.gz YIASQRAYZJNJOH-AREMUKBSSA-N 1 2 537.613 4.239 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000097966989 553912672 /nfs/dbraw/zinc/91/26/72/553912672.db2.gz ZKMQWLORYYPERO-SANMLTNESA-N 1 2 551.684 4.406 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000097966990 553912722 /nfs/dbraw/zinc/91/27/22/553912722.db2.gz ZKMQWLORYYPERO-AREMUKBSSA-N 1 2 551.684 4.406 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C ZINC000097967040 553913044 /nfs/dbraw/zinc/91/30/44/553913044.db2.gz YAXXNJKIZIQNAC-SANMLTNESA-N 1 2 537.613 4.239 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C ZINC000097967041 553913033 /nfs/dbraw/zinc/91/30/33/553913033.db2.gz YAXXNJKIZIQNAC-AREMUKBSSA-N 1 2 537.613 4.239 50 30 KIEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000097967066 553913511 /nfs/dbraw/zinc/91/35/11/553913511.db2.gz PWFDFVBODAEUIA-MUUNZHRXSA-N 1 2 552.668 4.490 50 30 KIEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000097967067 553913419 /nfs/dbraw/zinc/91/34/19/553913419.db2.gz PWFDFVBODAEUIA-NDEPHWFRSA-N 1 2 552.668 4.490 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000097967078 553913565 /nfs/dbraw/zinc/91/35/65/553913565.db2.gz CJOHTBDPMKWOGN-NDEPHWFRSA-N 1 2 582.694 4.356 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000097967079 553913861 /nfs/dbraw/zinc/91/38/61/553913861.db2.gz CJOHTBDPMKWOGN-MUUNZHRXSA-N 1 2 582.694 4.356 50 30 KIEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000097967113 553913901 /nfs/dbraw/zinc/91/39/01/553913901.db2.gz QZGDZBLTKLBWCX-SANMLTNESA-N 1 2 537.613 4.239 50 30 KIEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000097967114 553913813 /nfs/dbraw/zinc/91/38/13/553913813.db2.gz QZGDZBLTKLBWCX-AREMUKBSSA-N 1 2 537.613 4.239 50 30 KIEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000097967142 553914462 /nfs/dbraw/zinc/91/44/62/553914462.db2.gz RZYLFOMIWJCGBC-KCWXNJEJSA-N 1 2 564.679 4.498 50 30 KIEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000097967143 553914319 /nfs/dbraw/zinc/91/43/19/553914319.db2.gz RZYLFOMIWJCGBC-LGGPFLRQSA-N 1 2 564.679 4.498 50 30 KIEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000097967144 553914492 /nfs/dbraw/zinc/91/44/92/553914492.db2.gz RZYLFOMIWJCGBC-ONOMSOESSA-N 1 2 564.679 4.498 50 30 KIEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000097967145 553914452 /nfs/dbraw/zinc/91/44/52/553914452.db2.gz RZYLFOMIWJCGBC-PBBNMVCDSA-N 1 2 564.679 4.498 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000097967179 553914740 /nfs/dbraw/zinc/91/47/40/553914740.db2.gz NBZFCNPJRPQTGY-NDEPHWFRSA-N 1 2 582.694 4.356 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000097967180 553914829 /nfs/dbraw/zinc/91/48/29/553914829.db2.gz NBZFCNPJRPQTGY-MUUNZHRXSA-N 1 2 582.694 4.356 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000097967183 553914771 /nfs/dbraw/zinc/91/47/71/553914771.db2.gz NQWSPGJSBVHUQP-SANMLTNESA-N 1 2 537.613 4.383 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000097967184 553914727 /nfs/dbraw/zinc/91/47/27/553914727.db2.gz NQWSPGJSBVHUQP-AREMUKBSSA-N 1 2 537.613 4.383 50 30 KIEALO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000097967195 553914784 /nfs/dbraw/zinc/91/47/84/553914784.db2.gz KEYDGZVMPRJPSH-MUUNZHRXSA-N 1 2 552.668 4.435 50 30 KIEALO CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000097967196 553914810 /nfs/dbraw/zinc/91/48/10/553914810.db2.gz KEYDGZVMPRJPSH-NDEPHWFRSA-N 1 2 552.668 4.435 50 30 KIEALO CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000097967441 553918545 /nfs/dbraw/zinc/91/85/45/553918545.db2.gz LBTKCCFKQZWWJR-MUUNZHRXSA-N 1 2 550.652 4.183 50 30 KIEALO CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000097967442 553918446 /nfs/dbraw/zinc/91/84/46/553918446.db2.gz LBTKCCFKQZWWJR-NDEPHWFRSA-N 1 2 550.652 4.183 50 30 KIEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000097967639 553921158 /nfs/dbraw/zinc/92/11/58/553921158.db2.gz YRIQQAYECBCLFL-GDLZYMKVSA-N 1 2 580.678 4.336 50 30 KIEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000097967640 553920946 /nfs/dbraw/zinc/92/09/46/553920946.db2.gz YRIQQAYECBCLFL-LJAQVGFWSA-N 1 2 580.678 4.336 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000097969005 553935582 /nfs/dbraw/zinc/93/55/82/553935582.db2.gz ZOGXPAKGZNFYRH-QHCPKHFHSA-N 1 2 529.431 4.067 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000097969006 553935930 /nfs/dbraw/zinc/93/59/30/553935930.db2.gz ZOGXPAKGZNFYRH-HSZRJFAPSA-N 1 2 529.431 4.067 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000097969057 553936193 /nfs/dbraw/zinc/93/61/93/553936193.db2.gz GPSMKEQGLPPHNW-MHZLTWQESA-N 1 2 538.641 4.045 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000097969058 553936239 /nfs/dbraw/zinc/93/62/39/553936239.db2.gz GPSMKEQGLPPHNW-HHHXNRCGSA-N 1 2 538.641 4.045 50 30 KIEALO COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000097969076 553936597 /nfs/dbraw/zinc/93/65/97/553936597.db2.gz JEEQYKPATIBMAB-NDEPHWFRSA-N 1 2 552.668 4.348 50 30 KIEALO COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000097969077 553936509 /nfs/dbraw/zinc/93/65/09/553936509.db2.gz JEEQYKPATIBMAB-MUUNZHRXSA-N 1 2 552.668 4.348 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(Br)c2)c(C)c1 ZINC000097969101 553936532 /nfs/dbraw/zinc/93/65/32/553936532.db2.gz JMWGDHGDUJRVLS-QHCPKHFHSA-N 1 2 529.431 4.067 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(Br)c2)c(C)c1 ZINC000097969102 553936589 /nfs/dbraw/zinc/93/65/89/553936589.db2.gz JMWGDHGDUJRVLS-HSZRJFAPSA-N 1 2 529.431 4.067 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000097969482 553941645 /nfs/dbraw/zinc/94/16/45/553941645.db2.gz YUNKOMCURDBNIG-NDEPHWFRSA-N 1 2 552.668 4.492 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000097969483 553941603 /nfs/dbraw/zinc/94/16/03/553941603.db2.gz YUNKOMCURDBNIG-MUUNZHRXSA-N 1 2 552.668 4.492 50 30 KIEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000097969491 553941557 /nfs/dbraw/zinc/94/15/57/553941557.db2.gz NLDMRMHKKNXYDK-WTYVLRPYSA-N 1 2 550.652 4.108 50 30 KIEALO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000097969492 553941592 /nfs/dbraw/zinc/94/15/92/553941592.db2.gz NLDMRMHKKNXYDK-MMTVBGGISA-N 1 2 550.652 4.108 50 30 KIEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000097969493 553941507 /nfs/dbraw/zinc/94/15/07/553941507.db2.gz NLDMRMHKKNXYDK-PIIWDFAUSA-N 1 2 550.652 4.108 50 30 KIEALO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000097969494 553941629 /nfs/dbraw/zinc/94/16/29/553941629.db2.gz NLDMRMHKKNXYDK-NGOKVRLYSA-N 1 2 550.652 4.108 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000097969512 553941819 /nfs/dbraw/zinc/94/18/19/553941819.db2.gz YDUWARHQVAROAX-SANMLTNESA-N 1 2 537.613 4.383 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000097969513 553941952 /nfs/dbraw/zinc/94/19/52/553941952.db2.gz YDUWARHQVAROAX-AREMUKBSSA-N 1 2 537.613 4.383 50 30 KIEALO COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000097969554 553942251 /nfs/dbraw/zinc/94/22/51/553942251.db2.gz KEYSIXKTFOYEPP-NDEPHWFRSA-N 1 2 552.668 4.348 50 30 KIEALO COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000097969555 553942320 /nfs/dbraw/zinc/94/23/20/553942320.db2.gz KEYSIXKTFOYEPP-MUUNZHRXSA-N 1 2 552.668 4.348 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000097969616 553943051 /nfs/dbraw/zinc/94/30/51/553943051.db2.gz INAPBVVANKDCBK-WNSKOXEYSA-N 1 2 568.424 4.352 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000097969616 553943047 /nfs/dbraw/zinc/94/30/47/553943047.db2.gz INAPBVVANKDCBK-WNSKOXEYSA-N 1 2 568.424 4.352 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000097969617 553942997 /nfs/dbraw/zinc/94/29/97/553942997.db2.gz INAPBVVANKDCBK-IQMFZBJNSA-N 1 2 568.424 4.352 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000097969617 553942995 /nfs/dbraw/zinc/94/29/95/553942995.db2.gz INAPBVVANKDCBK-IQMFZBJNSA-N 1 2 568.424 4.352 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000097969618 553942986 /nfs/dbraw/zinc/94/29/86/553942986.db2.gz INAPBVVANKDCBK-NPMXOYFQSA-N 1 2 568.424 4.352 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000097969618 553942984 /nfs/dbraw/zinc/94/29/84/553942984.db2.gz INAPBVVANKDCBK-NPMXOYFQSA-N 1 2 568.424 4.352 50 30 KIEALO CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000097969724 553944207 /nfs/dbraw/zinc/94/42/07/553944207.db2.gz LJOZNGHQKMCQGX-MUUNZHRXSA-N 1 2 550.652 4.327 50 30 KIEALO CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000097969725 553944111 /nfs/dbraw/zinc/94/41/11/553944111.db2.gz LJOZNGHQKMCQGX-NDEPHWFRSA-N 1 2 550.652 4.327 50 30 KIEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097970898 553959173 /nfs/dbraw/zinc/95/91/73/553959173.db2.gz NBGDTCXPKBUWIT-SANMLTNESA-N 1 2 537.613 4.239 50 30 KIEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097970899 553959268 /nfs/dbraw/zinc/95/92/68/553959268.db2.gz NBGDTCXPKBUWIT-AREMUKBSSA-N 1 2 537.613 4.239 50 30 KIEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000097970912 553959520 /nfs/dbraw/zinc/95/95/20/553959520.db2.gz ZPAYVTUQEOJNOT-KCWXNJEJSA-N 1 2 562.663 4.274 50 30 KIEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000097970913 553959666 /nfs/dbraw/zinc/95/96/66/553959666.db2.gz ZPAYVTUQEOJNOT-LGGPFLRQSA-N 1 2 562.663 4.274 50 30 KIEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000097970914 553959503 /nfs/dbraw/zinc/95/95/03/553959503.db2.gz ZPAYVTUQEOJNOT-ONOMSOESSA-N 1 2 562.663 4.274 50 30 KIEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000097970915 553959610 /nfs/dbraw/zinc/95/96/10/553959610.db2.gz ZPAYVTUQEOJNOT-PBBNMVCDSA-N 1 2 562.663 4.274 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)cc1C ZINC000097970986 553960312 /nfs/dbraw/zinc/96/03/12/553960312.db2.gz GIOSFUNEWBHTPR-MHZLTWQESA-N 1 2 538.641 4.189 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1C ZINC000097970987 553960291 /nfs/dbraw/zinc/96/02/91/553960291.db2.gz GIOSFUNEWBHTPR-HHHXNRCGSA-N 1 2 538.641 4.189 50 30 KIEALO CCOc1ccc(CCNC(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OCC ZINC000098000348 554050266 /nfs/dbraw/zinc/05/02/66/554050266.db2.gz WCGCVXRSLMAXMW-SANMLTNESA-N 1 2 622.726 4.444 50 30 KIEALO CCOc1ccc(CCNC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OCC ZINC000098000349 554050237 /nfs/dbraw/zinc/05/02/37/554050237.db2.gz WCGCVXRSLMAXMW-AREMUKBSSA-N 1 2 622.726 4.444 50 30 KIEALO Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000098042815 554122577 /nfs/dbraw/zinc/12/25/77/554122577.db2.gz FRKZDCSJAQAROM-WJOKGBTCSA-N 1 2 544.696 4.367 50 30 KIEALO Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000098042816 554122511 /nfs/dbraw/zinc/12/25/11/554122511.db2.gz FRKZDCSJAQAROM-HKBQPEDESA-N 1 2 544.696 4.367 50 30 KIEALO COc1ccc([C@@H]2C(C(=O)c3sc4nc5ccccc5n4c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000098046631 554141653 /nfs/dbraw/zinc/14/16/53/554141653.db2.gz XBBYVFNHHYQBEY-XMMPIXPASA-N 1 2 546.649 4.167 50 30 KIEALO COc1ccc([C@H]2C(C(=O)c3sc4nc5ccccc5n4c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000098046632 554141639 /nfs/dbraw/zinc/14/16/39/554141639.db2.gz XBBYVFNHHYQBEY-DEOSSOPVSA-N 1 2 546.649 4.167 50 30 KIEALO COc1cccc([C@@H]2C(C(=O)c3nc(-c4ccccc4)sc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000098047201 554147658 /nfs/dbraw/zinc/14/76/58/554147658.db2.gz JSLIHDZFYQLLNW-RUZDIDTESA-N 1 2 533.650 4.428 50 30 KIEALO COc1cccc([C@H]2C(C(=O)c3nc(-c4ccccc4)sc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000098047202 554147712 /nfs/dbraw/zinc/14/77/12/554147712.db2.gz JSLIHDZFYQLLNW-VWLOTQADSA-N 1 2 533.650 4.428 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000098047301 554149272 /nfs/dbraw/zinc/14/92/72/554149272.db2.gz KMKDGYJEYYZAIS-JOCHJYFZSA-N 1 2 572.412 4.046 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000098047302 554149221 /nfs/dbraw/zinc/14/92/21/554149221.db2.gz KMKDGYJEYYZAIS-QFIPXVFZSA-N 1 2 572.412 4.046 50 30 KIEALO COC(=O)c1ccc(N2C(=O)C[C@@H](SC(Nc3ccccc3)=[NH+]Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000100062814 554199275 /nfs/dbraw/zinc/19/92/75/554199275.db2.gz NVWLPXHCSVXIOW-HSZRJFAPSA-N 1 2 517.563 4.045 50 30 KIEALO CC(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[NH+]=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000100068618 554200362 /nfs/dbraw/zinc/20/03/62/554200362.db2.gz QZXWAQQEMIRUKR-CVKSISIWSA-N 1 2 562.649 4.088 50 30 KIEALO CC(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[NH+]=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000100068623 554200341 /nfs/dbraw/zinc/20/03/41/554200341.db2.gz OIMBUDDGAWNEPD-CVKSISIWSA-N 1 2 562.649 4.088 50 30 KIEALO Cc1ccc(C[NH+]2CCN(/N=C/c3cc(I)cc(I)c3O)CC2)c(C)c1 ZINC000100113172 554222540 /nfs/dbraw/zinc/22/25/40/554222540.db2.gz GQELNEUXFZXJMX-FSJBWODESA-N 1 2 575.232 4.370 50 30 KIEALO Cc1ccc(C[NH+]2CCN(/N=C/c3cc(I)cc(I)c3O)CC2)cc1 ZINC000100141774 554227961 /nfs/dbraw/zinc/22/79/61/554227961.db2.gz PZLRDLDQFILDBH-WSDLNYQXSA-N 1 2 561.205 4.062 50 30 KIEALO Oc1c(I)cc(I)cc1/C=N/N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000100458067 554397230 /nfs/dbraw/zinc/39/72/30/554397230.db2.gz CGONEZSSHMGCAU-SSDVNMTOSA-N 1 2 581.623 4.407 50 30 KIEALO Oc1c(I)cc(I)cc1/C=N/N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000100458081 554397188 /nfs/dbraw/zinc/39/71/88/554397188.db2.gz AFCQOTHFIOPJJT-SSDVNMTOSA-N 1 2 581.623 4.407 50 30 KIEALO COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c(OC)c1 ZINC000100616145 554432641 /nfs/dbraw/zinc/43/26/41/554432641.db2.gz ORAHJGASSFUPIE-QFIPXVFZSA-N 1 2 526.387 4.331 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000100672092 554441517 /nfs/dbraw/zinc/44/15/17/554441517.db2.gz IKCZQBDYMIVAMZ-HHHXNRCGSA-N 1 2 538.641 4.102 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000100672093 554441622 /nfs/dbraw/zinc/44/16/22/554441622.db2.gz IKCZQBDYMIVAMZ-MHZLTWQESA-N 1 2 538.641 4.102 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000100678303 554444958 /nfs/dbraw/zinc/44/49/58/554444958.db2.gz NQLRKRHMZCJAOM-OAQYLSRUSA-N 1 2 544.377 4.476 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000100678303 554444955 /nfs/dbraw/zinc/44/49/55/554444955.db2.gz NQLRKRHMZCJAOM-OAQYLSRUSA-N 1 2 544.377 4.476 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000100678308 554445011 /nfs/dbraw/zinc/44/50/11/554445011.db2.gz NQLRKRHMZCJAOM-NRFANRHFSA-N 1 2 544.377 4.476 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000100678308 554445007 /nfs/dbraw/zinc/44/50/07/554445007.db2.gz NQLRKRHMZCJAOM-NRFANRHFSA-N 1 2 544.377 4.476 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cc(Br)c(O)c(OC)c2)cc1F ZINC000100678452 554444970 /nfs/dbraw/zinc/44/49/70/554444970.db2.gz WUXIHCDVCBAVLV-OAQYLSRUSA-N 1 2 560.376 4.176 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cc(Br)c(O)c(OC)c2)cc1F ZINC000100678454 554445241 /nfs/dbraw/zinc/44/52/41/554445241.db2.gz WUXIHCDVCBAVLV-NRFANRHFSA-N 1 2 560.376 4.176 50 30 KIEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000100678479 554445281 /nfs/dbraw/zinc/44/52/81/554445281.db2.gz VBRDBLOVXIYEFC-MHZLTWQESA-N 1 2 556.631 4.322 50 30 KIEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000100678483 554445373 /nfs/dbraw/zinc/44/53/73/554445373.db2.gz VBRDBLOVXIYEFC-HHHXNRCGSA-N 1 2 556.631 4.322 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000100735640 571361171 /nfs/dbraw/zinc/36/11/71/571361171.db2.gz IAZVPLREFPAAEM-HHHXNRCGSA-N 1 2 538.641 4.102 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000100735642 571361159 /nfs/dbraw/zinc/36/11/59/571361159.db2.gz IAZVPLREFPAAEM-MHZLTWQESA-N 1 2 538.641 4.102 50 30 KIEALO C[N@H+]1CCc2c(C#N)c(/N=C/c3cc(I)cc(I)c3O)sc2C1 ZINC000100738082 554461579 /nfs/dbraw/zinc/46/15/79/554461579.db2.gz VCRPTWZOSLQAKI-IFRROFPPSA-N 1 2 549.175 4.273 50 30 KIEALO C[N@@H+]1CCc2c(C#N)c(/N=C/c3cc(I)cc(I)c3O)sc2C1 ZINC000100738082 554461577 /nfs/dbraw/zinc/46/15/77/554461577.db2.gz VCRPTWZOSLQAKI-IFRROFPPSA-N 1 2 549.175 4.273 50 30 KIEALO CCCCCCCCN1C(=O)/C(=C/c2c(NCC[NH+]3CCOCC3)nc3c(C)cccn3c2=O)SC1=S ZINC000100840308 554488471 /nfs/dbraw/zinc/48/84/71/554488471.db2.gz QSIORJQRPQZZOT-QOCHGBHMSA-N 1 2 543.759 4.309 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000101062467 554570410 /nfs/dbraw/zinc/57/04/10/554570410.db2.gz DVBSSKUWLDJLJX-YDJIHCHBSA-N 1 2 511.332 4.066 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000101062469 554570385 /nfs/dbraw/zinc/57/03/85/554570385.db2.gz DVBSSKUWLDJLJX-NHFXJNLRSA-N 1 2 511.332 4.066 50 30 KIEALO CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000101062475 554570465 /nfs/dbraw/zinc/57/04/65/554570465.db2.gz XEIPWMPNGSUUKW-HOGKFDNTSA-N 1 2 509.404 4.224 50 30 KIEALO CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000101062475 554570463 /nfs/dbraw/zinc/57/04/63/554570463.db2.gz XEIPWMPNGSUUKW-HOGKFDNTSA-N 1 2 509.404 4.224 50 30 KIEALO CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000101062479 554570327 /nfs/dbraw/zinc/57/03/27/554570327.db2.gz XEIPWMPNGSUUKW-MOBKVPTQSA-N 1 2 509.404 4.224 50 30 KIEALO CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000101062479 554570326 /nfs/dbraw/zinc/57/03/26/554570326.db2.gz XEIPWMPNGSUUKW-MOBKVPTQSA-N 1 2 509.404 4.224 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000101062489 554570669 /nfs/dbraw/zinc/57/06/69/554570669.db2.gz CUBRHJZPPRMEMS-YDJIHCHBSA-N 1 2 511.332 4.066 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000101062490 554570639 /nfs/dbraw/zinc/57/06/39/554570639.db2.gz CUBRHJZPPRMEMS-NHFXJNLRSA-N 1 2 511.332 4.066 50 30 KIEALO O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(Br)cc1 ZINC000101072272 554575973 /nfs/dbraw/zinc/57/59/73/554575973.db2.gz UVMWRNNNEDECHJ-AYWGPLOBSA-N 1 2 525.399 4.339 50 30 KIEALO O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Br)cc1 ZINC000101072274 554575979 /nfs/dbraw/zinc/57/59/79/554575979.db2.gz UVMWRNNNEDECHJ-ZHHPLPSFSA-N 1 2 525.399 4.339 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000101072275 554575908 /nfs/dbraw/zinc/57/59/08/554575908.db2.gz KFGFEOVDFBLXCW-JBCNATCCSA-N 1 2 519.823 4.247 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000101072277 554575896 /nfs/dbraw/zinc/57/58/96/554575896.db2.gz KFGFEOVDFBLXCW-MRJHHRETSA-N 1 2 519.823 4.247 50 30 KIEALO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Br)cc1 ZINC000101072306 554576186 /nfs/dbraw/zinc/57/61/86/554576186.db2.gz KWYRFYOIFGEOCU-HFEWCJDKSA-N 1 2 520.387 4.114 50 30 KIEALO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Br)cc1 ZINC000101072309 554576264 /nfs/dbraw/zinc/57/62/64/554576264.db2.gz KWYRFYOIFGEOCU-IAMBOQNYSA-N 1 2 520.387 4.114 50 30 KIEALO O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000101101122 554588014 /nfs/dbraw/zinc/58/80/14/554588014.db2.gz IDQFCLSUUORSRY-AYWGPLOBSA-N 1 2 525.399 4.339 50 30 KIEALO O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000101101123 554588058 /nfs/dbraw/zinc/58/80/58/554588058.db2.gz IDQFCLSUUORSRY-ZHHPLPSFSA-N 1 2 525.399 4.339 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(Br)c1)c1ccc(Br)cc1 ZINC000101101127 554588074 /nfs/dbraw/zinc/58/80/74/554588074.db2.gz KSEJRNFGWCXTMX-JBCNATCCSA-N 1 2 564.274 4.356 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(Br)c1)c1ccc(Br)cc1 ZINC000101101128 554588033 /nfs/dbraw/zinc/58/80/33/554588033.db2.gz KSEJRNFGWCXTMX-MRJHHRETSA-N 1 2 564.274 4.356 50 30 KIEALO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccc(Br)c1 ZINC000101101155 554588076 /nfs/dbraw/zinc/58/80/76/554588076.db2.gz PJMDUAMJGZANOS-HFEWCJDKSA-N 1 2 520.387 4.114 50 30 KIEALO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccc(Br)c1 ZINC000101101156 554588041 /nfs/dbraw/zinc/58/80/41/554588041.db2.gz PJMDUAMJGZANOS-IAMBOQNYSA-N 1 2 520.387 4.114 50 30 KIEALO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000101162848 554660251 /nfs/dbraw/zinc/66/02/51/554660251.db2.gz RIKQYEUYNBTOBZ-JOCHJYFZSA-N 1 2 545.430 4.252 50 30 KIEALO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000101162849 554660237 /nfs/dbraw/zinc/66/02/37/554660237.db2.gz RIKQYEUYNBTOBZ-QFIPXVFZSA-N 1 2 545.430 4.252 50 30 KIEALO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101162850 554660350 /nfs/dbraw/zinc/66/03/50/554660350.db2.gz ULUDWUJVLHCAHK-HSZRJFAPSA-N 1 2 577.472 4.491 50 30 KIEALO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101162852 554660313 /nfs/dbraw/zinc/66/03/13/554660313.db2.gz ULUDWUJVLHCAHK-QHCPKHFHSA-N 1 2 577.472 4.491 50 30 KIEALO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@H]1c1ccc(OC)c(OC)c1 ZINC000101162875 554660297 /nfs/dbraw/zinc/66/02/97/554660297.db2.gz RZGHDPDDTRDKAP-HSZRJFAPSA-N 1 2 547.446 4.482 50 30 KIEALO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000101162878 554660244 /nfs/dbraw/zinc/66/02/44/554660244.db2.gz RZGHDPDDTRDKAP-QHCPKHFHSA-N 1 2 547.446 4.482 50 30 KIEALO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101162902 554660584 /nfs/dbraw/zinc/66/05/84/554660584.db2.gz RFWQVFCFHARFAY-JOCHJYFZSA-N 1 2 563.445 4.101 50 30 KIEALO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2O)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101162905 554660537 /nfs/dbraw/zinc/66/05/37/554660537.db2.gz RFWQVFCFHARFAY-QFIPXVFZSA-N 1 2 563.445 4.101 50 30 KIEALO CCOc1ccc([C@@H]2C(C(=O)c3cc(Br)ccc3O)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OC ZINC000101162912 554660578 /nfs/dbraw/zinc/66/05/78/554660578.db2.gz YFSIPMMQUIQOJA-HSZRJFAPSA-N 1 2 547.446 4.482 50 30 KIEALO CCOc1ccc([C@H]2C(C(=O)c3cc(Br)ccc3O)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OC ZINC000101162913 554660514 /nfs/dbraw/zinc/66/05/14/554660514.db2.gz YFSIPMMQUIQOJA-QHCPKHFHSA-N 1 2 547.446 4.482 50 30 KIEALO C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000101236251 554690960 /nfs/dbraw/zinc/69/09/60/554690960.db2.gz ISXZBFPFPHYWDG-HSZRJFAPSA-N 1 2 537.488 4.253 50 30 KIEALO C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000101236251 554690956 /nfs/dbraw/zinc/69/09/56/554690956.db2.gz ISXZBFPFPHYWDG-HSZRJFAPSA-N 1 2 537.488 4.253 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000101236253 554690898 /nfs/dbraw/zinc/69/08/98/554690898.db2.gz ISXZBFPFPHYWDG-QHCPKHFHSA-N 1 2 537.488 4.253 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000101236253 554690895 /nfs/dbraw/zinc/69/08/95/554690895.db2.gz ISXZBFPFPHYWDG-QHCPKHFHSA-N 1 2 537.488 4.253 50 30 KIEALO C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC000101236280 554690986 /nfs/dbraw/zinc/69/09/86/554690986.db2.gz IXUBFDOEIJCREW-XMMPIXPASA-N 1 2 549.499 4.397 50 30 KIEALO C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC000101236280 554690983 /nfs/dbraw/zinc/69/09/83/554690983.db2.gz IXUBFDOEIJCREW-XMMPIXPASA-N 1 2 549.499 4.397 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC000101236282 554691036 /nfs/dbraw/zinc/69/10/36/554691036.db2.gz IXUBFDOEIJCREW-DEOSSOPVSA-N 1 2 549.499 4.397 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC000101236282 554691032 /nfs/dbraw/zinc/69/10/32/554691032.db2.gz IXUBFDOEIJCREW-DEOSSOPVSA-N 1 2 549.499 4.397 50 30 KIEALO C=CCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)C2CCCC2)CC1 ZINC000101236289 554690890 /nfs/dbraw/zinc/69/08/90/554690890.db2.gz VNPCDLWZZWBHBZ-RUZDIDTESA-N 1 2 562.633 4.499 50 30 KIEALO C=CCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)C2CCCC2)CC1 ZINC000101236289 554690888 /nfs/dbraw/zinc/69/08/88/554690888.db2.gz VNPCDLWZZWBHBZ-RUZDIDTESA-N 1 2 562.633 4.499 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)C2CCCC2)CC1 ZINC000101236292 554690934 /nfs/dbraw/zinc/69/09/34/554690934.db2.gz VNPCDLWZZWBHBZ-VWLOTQADSA-N 1 2 562.633 4.499 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)C2CCCC2)CC1 ZINC000101236292 554690931 /nfs/dbraw/zinc/69/09/31/554690931.db2.gz VNPCDLWZZWBHBZ-VWLOTQADSA-N 1 2 562.633 4.499 50 30 KIEALO C=CCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000101236306 554691008 /nfs/dbraw/zinc/69/10/08/554691008.db2.gz VSODURNQIWZVCJ-RUZDIDTESA-N 1 2 550.622 4.355 50 30 KIEALO C=CCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000101236306 554691005 /nfs/dbraw/zinc/69/10/05/554691005.db2.gz VSODURNQIWZVCJ-RUZDIDTESA-N 1 2 550.622 4.355 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000101236309 554690906 /nfs/dbraw/zinc/69/09/06/554690906.db2.gz VSODURNQIWZVCJ-VWLOTQADSA-N 1 2 550.622 4.355 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000101236309 554690904 /nfs/dbraw/zinc/69/09/04/554690904.db2.gz VSODURNQIWZVCJ-VWLOTQADSA-N 1 2 550.622 4.355 50 30 KIEALO C=CCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)NC(C)(C)C)CC1 ZINC000101236341 554690842 /nfs/dbraw/zinc/69/08/42/554690842.db2.gz FEOCLSKSHMLTKA-HSZRJFAPSA-N 1 2 565.637 4.291 50 30 KIEALO C=CCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)NC(C)(C)C)CC1 ZINC000101236341 554690840 /nfs/dbraw/zinc/69/08/40/554690840.db2.gz FEOCLSKSHMLTKA-HSZRJFAPSA-N 1 2 565.637 4.291 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)NC(C)(C)C)CC1 ZINC000101236343 554691019 /nfs/dbraw/zinc/69/10/19/554691019.db2.gz FEOCLSKSHMLTKA-QHCPKHFHSA-N 1 2 565.637 4.291 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)NC(C)(C)C)CC1 ZINC000101236343 554691015 /nfs/dbraw/zinc/69/10/15/554691015.db2.gz FEOCLSKSHMLTKA-QHCPKHFHSA-N 1 2 565.637 4.291 50 30 KIEALO C=CCN1C(=O)N[C@H](c2ccc(Cl)c(Cl)c2)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)NC(C)C)CC1 ZINC000101236360 554690916 /nfs/dbraw/zinc/69/09/16/554690916.db2.gz HGAUPWXBNWPONV-HSZRJFAPSA-N 1 2 552.503 4.189 50 30 KIEALO C=CCN1C(=O)N[C@H](c2ccc(Cl)c(Cl)c2)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)NC(C)C)CC1 ZINC000101236360 554690912 /nfs/dbraw/zinc/69/09/12/554690912.db2.gz HGAUPWXBNWPONV-HSZRJFAPSA-N 1 2 552.503 4.189 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)NC(C)C)CC1 ZINC000101236364 554690950 /nfs/dbraw/zinc/69/09/50/554690950.db2.gz HGAUPWXBNWPONV-QHCPKHFHSA-N 1 2 552.503 4.189 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)NC(C)C)CC1 ZINC000101236364 554690947 /nfs/dbraw/zinc/69/09/47/554690947.db2.gz HGAUPWXBNWPONV-QHCPKHFHSA-N 1 2 552.503 4.189 50 30 KIEALO C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)NC(C)C)CC1 ZINC000101236376 554691228 /nfs/dbraw/zinc/69/12/28/554691228.db2.gz BRRMISGHNLRYNS-HSZRJFAPSA-N 1 2 552.503 4.189 50 30 KIEALO C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)NC(C)C)CC1 ZINC000101236376 554691226 /nfs/dbraw/zinc/69/12/26/554691226.db2.gz BRRMISGHNLRYNS-HSZRJFAPSA-N 1 2 552.503 4.189 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)NC(C)C)CC1 ZINC000101236377 554691222 /nfs/dbraw/zinc/69/12/22/554691222.db2.gz BRRMISGHNLRYNS-QHCPKHFHSA-N 1 2 552.503 4.189 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)NC(C)C)CC1 ZINC000101236377 554691220 /nfs/dbraw/zinc/69/12/20/554691220.db2.gz BRRMISGHNLRYNS-QHCPKHFHSA-N 1 2 552.503 4.189 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2cccc(Oc3ccccc3)c2)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)NCC)CC1 ZINC000101236389 554691257 /nfs/dbraw/zinc/69/12/57/554691257.db2.gz MLNUMNCURDBPMO-NDEPHWFRSA-N 1 2 561.683 4.286 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2cccc(Oc3ccccc3)c2)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)NCC)CC1 ZINC000101236389 554691255 /nfs/dbraw/zinc/69/12/55/554691255.db2.gz MLNUMNCURDBPMO-NDEPHWFRSA-N 1 2 561.683 4.286 50 30 KIEALO C=CCN1C(=O)N[C@H](c2cccc(Oc3ccccc3)c2)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)NCC)CC1 ZINC000101236392 554691195 /nfs/dbraw/zinc/69/11/95/554691195.db2.gz MLNUMNCURDBPMO-MUUNZHRXSA-N 1 2 561.683 4.286 50 30 KIEALO C=CCN1C(=O)N[C@H](c2cccc(Oc3ccccc3)c2)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)NCC)CC1 ZINC000101236392 554691194 /nfs/dbraw/zinc/69/11/94/554691194.db2.gz MLNUMNCURDBPMO-MUUNZHRXSA-N 1 2 561.683 4.286 50 30 KIEALO C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000101236404 554691188 /nfs/dbraw/zinc/69/11/88/554691188.db2.gz VIRFZBRGRNJCFA-AREMUKBSSA-N 1 2 555.050 4.397 50 30 KIEALO C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000101236404 554691186 /nfs/dbraw/zinc/69/11/86/554691186.db2.gz VIRFZBRGRNJCFA-AREMUKBSSA-N 1 2 555.050 4.397 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000101236406 554691263 /nfs/dbraw/zinc/69/12/63/554691263.db2.gz VIRFZBRGRNJCFA-SANMLTNESA-N 1 2 555.050 4.397 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000101236406 554691261 /nfs/dbraw/zinc/69/12/61/554691261.db2.gz VIRFZBRGRNJCFA-SANMLTNESA-N 1 2 555.050 4.397 50 30 KIEALO C=CC[NH+]1CCN(C(=O)c2csc(COc3ccc4c(c3)[C@H](c3cccc(F)c3)N(C(C)=O)CC4)n2)CC1 ZINC000101250217 554693979 /nfs/dbraw/zinc/69/39/79/554693979.db2.gz XQJKXCLHTRVZNO-NDEPHWFRSA-N 1 2 534.657 4.299 50 30 KIEALO C=CC[NH+]1CCN(C(=O)c2csc(COc3ccc4c(c3)[C@@H](c3cccc(F)c3)N(C(C)=O)CC4)n2)CC1 ZINC000101250220 554694093 /nfs/dbraw/zinc/69/40/93/554694093.db2.gz XQJKXCLHTRVZNO-MUUNZHRXSA-N 1 2 534.657 4.299 50 30 KIEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000101310325 554717585 /nfs/dbraw/zinc/71/75/85/554717585.db2.gz FBVPATMHDCDPFX-YJMWBXFMSA-N 1 2 562.663 4.118 50 30 KIEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000101310327 554717610 /nfs/dbraw/zinc/71/76/10/554717610.db2.gz FBVPATMHDCDPFX-MNOIWJKESA-N 1 2 562.663 4.118 50 30 KIEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000101310329 554717630 /nfs/dbraw/zinc/71/76/30/554717630.db2.gz FBVPATMHDCDPFX-VTVSLZSGSA-N 1 2 562.663 4.118 50 30 KIEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000101310332 554717581 /nfs/dbraw/zinc/71/75/81/554717581.db2.gz FBVPATMHDCDPFX-ZHJYXLETSA-N 1 2 562.663 4.118 50 30 KIEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000101310451 554718164 /nfs/dbraw/zinc/71/81/64/554718164.db2.gz UNFPPMGHOFIRMZ-UUALVTFQSA-N 1 2 545.592 4.130 50 30 KIEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000101310452 554718149 /nfs/dbraw/zinc/71/81/49/554718149.db2.gz UNFPPMGHOFIRMZ-ONQGDUAMSA-N 1 2 545.592 4.130 50 30 KIEALO C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000101315207 554722917 /nfs/dbraw/zinc/72/29/17/554722917.db2.gz UGMVKLPYQYNWHC-ONQGDUAMSA-N 1 2 520.626 4.183 50 30 KIEALO C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000101315210 554722945 /nfs/dbraw/zinc/72/29/45/554722945.db2.gz UGMVKLPYQYNWHC-UUALVTFQSA-N 1 2 520.626 4.183 50 30 KIEALO C=CCn1cc(C(=O)NCCC[N@@H+](CC)c2cccc(C)c2)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000101448506 554774900 /nfs/dbraw/zinc/77/49/00/554774900.db2.gz RISQVCRQLVJYAB-UHFFFAOYSA-N 1 2 538.714 4.173 50 30 KIEALO C=CCn1cc(C(=O)NCCC[N@H+](CC)c2cccc(C)c2)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000101448506 554774898 /nfs/dbraw/zinc/77/48/98/554774898.db2.gz RISQVCRQLVJYAB-UHFFFAOYSA-N 1 2 538.714 4.173 50 30 KIEALO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H](n3nnc(C(=O)OC)c3C(=O)OC)C[C@H]2C(=O)Nc2cccc(SC)c2)CC1 ZINC000101801520 554839540 /nfs/dbraw/zinc/83/95/40/554839540.db2.gz GFHCILRVANHUQE-NWSQWKLXSA-N 1 2 553.685 4.130 50 30 KIEALO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](n3nnc(C(=O)OC)c3C(=O)OC)C[C@H]2C(=O)Nc2cccc(SC)c2)CC1 ZINC000101801520 554839539 /nfs/dbraw/zinc/83/95/39/554839539.db2.gz GFHCILRVANHUQE-NWSQWKLXSA-N 1 2 553.685 4.130 50 30 KIEALO CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102076849 554875129 /nfs/dbraw/zinc/87/51/29/554875129.db2.gz XGXIROHEAWCJHX-DFXXOVSGSA-N 1 2 550.652 4.027 50 30 KIEALO CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102076853 554875078 /nfs/dbraw/zinc/87/50/78/554875078.db2.gz XGXIROHEAWCJHX-TXTDGAROSA-N 1 2 550.652 4.027 50 30 KIEALO Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102168938 554890893 /nfs/dbraw/zinc/89/08/93/554890893.db2.gz XEAWFBYAFVRPII-UUALVTFQSA-N 1 2 506.643 4.482 50 30 KIEALO Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102168950 554890954 /nfs/dbraw/zinc/89/09/54/554890954.db2.gz XEAWFBYAFVRPII-ONQGDUAMSA-N 1 2 506.643 4.482 50 30 KIEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000102169020 554890947 /nfs/dbraw/zinc/89/09/47/554890947.db2.gz SIJBBQKSBMKGES-CZNAVJSXSA-N 1 2 510.606 4.313 50 30 KIEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000102169026 554890938 /nfs/dbraw/zinc/89/09/38/554890938.db2.gz SIJBBQKSBMKGES-CJJGVWJISA-N 1 2 510.606 4.313 50 30 KIEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102169057 554890932 /nfs/dbraw/zinc/89/09/32/554890932.db2.gz LOIAFFWNLQBGBI-CZNAVJSXSA-N 1 2 537.613 4.082 50 30 KIEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102169061 554890958 /nfs/dbraw/zinc/89/09/58/554890958.db2.gz LOIAFFWNLQBGBI-CJJGVWJISA-N 1 2 537.613 4.082 50 30 KIEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102169161 554890881 /nfs/dbraw/zinc/89/08/81/554890881.db2.gz DSVBOLCXQFTSDD-CZNAVJSXSA-N 1 2 537.613 4.082 50 30 KIEALO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102169165 554890913 /nfs/dbraw/zinc/89/09/13/554890913.db2.gz DSVBOLCXQFTSDD-CJJGVWJISA-N 1 2 537.613 4.082 50 30 KIEALO Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102175256 554891975 /nfs/dbraw/zinc/89/19/75/554891975.db2.gz UDYOZXSIJFOYOY-UUALVTFQSA-N 1 2 506.643 4.482 50 30 KIEALO Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102175260 554891861 /nfs/dbraw/zinc/89/18/61/554891861.db2.gz UDYOZXSIJFOYOY-ONQGDUAMSA-N 1 2 506.643 4.482 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(F)cc2)ccc1OCC(C)C ZINC000102175314 554891921 /nfs/dbraw/zinc/89/19/21/554891921.db2.gz HRQBFAOABPKLHU-CZNAVJSXSA-N 1 2 510.606 4.313 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(F)cc2)ccc1OCC(C)C ZINC000102175321 554891982 /nfs/dbraw/zinc/89/19/82/554891982.db2.gz HRQBFAOABPKLHU-CJJGVWJISA-N 1 2 510.606 4.313 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C ZINC000102175359 554891997 /nfs/dbraw/zinc/89/19/97/554891997.db2.gz CJDUFQYGMOBSQD-CZNAVJSXSA-N 1 2 537.613 4.082 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C ZINC000102175363 554891951 /nfs/dbraw/zinc/89/19/51/554891951.db2.gz CJDUFQYGMOBSQD-CJJGVWJISA-N 1 2 537.613 4.082 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1OCC(C)C ZINC000102175457 554892269 /nfs/dbraw/zinc/89/22/69/554892269.db2.gz QKAZDZMMTWZJCS-CZNAVJSXSA-N 1 2 537.613 4.082 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1OCC(C)C ZINC000102175461 554892282 /nfs/dbraw/zinc/89/22/82/554892282.db2.gz QKAZDZMMTWZJCS-CJJGVWJISA-N 1 2 537.613 4.082 50 30 KIEALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102187768 554893775 /nfs/dbraw/zinc/89/37/75/554893775.db2.gz FYDPXAXTZVISJW-HHHXNRCGSA-N 1 2 557.619 4.433 50 30 KIEALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102187773 554893811 /nfs/dbraw/zinc/89/38/11/554893811.db2.gz FYDPXAXTZVISJW-MHZLTWQESA-N 1 2 557.619 4.433 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cc(OC)ccc2OC)cc1Cl ZINC000102482566 554937390 /nfs/dbraw/zinc/93/73/90/554937390.db2.gz LTEPJWCHJJCAIZ-NXLSWJSLSA-N 1 2 525.989 4.464 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cc(OC)ccc2OC)cc1Cl ZINC000102482574 554937457 /nfs/dbraw/zinc/93/74/57/554937457.db2.gz LTEPJWCHJJCAIZ-SBXHHDGASA-N 1 2 525.989 4.464 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102489564 554939158 /nfs/dbraw/zinc/93/91/58/554939158.db2.gz USNDMXKVZWHPOG-ONQGDUAMSA-N 1 2 522.642 4.407 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102489575 554939065 /nfs/dbraw/zinc/93/90/65/554939065.db2.gz USNDMXKVZWHPOG-UUALVTFQSA-N 1 2 522.642 4.407 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(Br)cc2)c1C ZINC000102490523 554939093 /nfs/dbraw/zinc/93/90/93/554939093.db2.gz LDTFPCGWGKGHPP-HFEWCJDKSA-N 1 2 555.429 4.279 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(Br)cc2)c1C ZINC000102490523 554939089 /nfs/dbraw/zinc/93/90/89/554939089.db2.gz LDTFPCGWGKGHPP-HFEWCJDKSA-N 1 2 555.429 4.279 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(Br)cc2)c1C ZINC000102490532 554939172 /nfs/dbraw/zinc/93/91/72/554939172.db2.gz LDTFPCGWGKGHPP-IAMBOQNYSA-N 1 2 555.429 4.279 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(Br)cc2)c1C ZINC000102490532 554939170 /nfs/dbraw/zinc/93/91/70/554939170.db2.gz LDTFPCGWGKGHPP-IAMBOQNYSA-N 1 2 555.429 4.279 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000102491713 554939389 /nfs/dbraw/zinc/93/93/89/554939389.db2.gz XWIXCVNCRCPOPG-MOBKVPTQSA-N 1 2 510.934 4.355 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000102491725 554939400 /nfs/dbraw/zinc/93/94/00/554939400.db2.gz XWIXCVNCRCPOPG-HOGKFDNTSA-N 1 2 510.934 4.355 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000102493187 554939655 /nfs/dbraw/zinc/93/96/55/554939655.db2.gz JASLCKKFXQFIRG-MOBKVPTQSA-N 1 2 510.934 4.355 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000102493198 554939672 /nfs/dbraw/zinc/93/96/72/554939672.db2.gz JASLCKKFXQFIRG-HOGKFDNTSA-N 1 2 510.934 4.355 50 30 KIEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102493746 554940109 /nfs/dbraw/zinc/94/01/09/554940109.db2.gz JIBGNEYAUDXSRC-NPJIAGGLSA-N 1 2 505.571 4.201 50 30 KIEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102493746 554940107 /nfs/dbraw/zinc/94/01/07/554940107.db2.gz JIBGNEYAUDXSRC-NPJIAGGLSA-N 1 2 505.571 4.201 50 30 KIEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102493755 554940118 /nfs/dbraw/zinc/94/01/18/554940118.db2.gz JIBGNEYAUDXSRC-IUKMQXEJSA-N 1 2 505.571 4.201 50 30 KIEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102493755 554940116 /nfs/dbraw/zinc/94/01/16/554940116.db2.gz JIBGNEYAUDXSRC-IUKMQXEJSA-N 1 2 505.571 4.201 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000102494349 554940130 /nfs/dbraw/zinc/94/01/30/554940130.db2.gz UFQBEMSKLFBSNA-CJJGVWJISA-N 1 2 522.642 4.145 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000102494360 554940141 /nfs/dbraw/zinc/94/01/41/554940141.db2.gz UFQBEMSKLFBSNA-CZNAVJSXSA-N 1 2 522.642 4.145 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000102495171 554940260 /nfs/dbraw/zinc/94/02/60/554940260.db2.gz PHTZCKJAQUFSPF-CZNAVJSXSA-N 1 2 506.643 4.445 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000102495177 554940313 /nfs/dbraw/zinc/94/03/13/554940313.db2.gz PHTZCKJAQUFSPF-CJJGVWJISA-N 1 2 506.643 4.445 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000102496221 554940603 /nfs/dbraw/zinc/94/06/03/554940603.db2.gz XDRUTPOVAJDOEW-QMMFTLRZSA-N 1 2 572.658 4.432 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000102496228 554940566 /nfs/dbraw/zinc/94/05/66/554940566.db2.gz XDRUTPOVAJDOEW-VEZPTTSMSA-N 1 2 572.658 4.432 50 30 KIEALO COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102496311 554940777 /nfs/dbraw/zinc/94/07/77/554940777.db2.gz YOGNMQHECKNBQW-HOGKFDNTSA-N 1 2 526.387 4.175 50 30 KIEALO COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102496311 554940774 /nfs/dbraw/zinc/94/07/74/554940774.db2.gz YOGNMQHECKNBQW-HOGKFDNTSA-N 1 2 526.387 4.175 50 30 KIEALO COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102496318 554940819 /nfs/dbraw/zinc/94/08/19/554940819.db2.gz YOGNMQHECKNBQW-MOBKVPTQSA-N 1 2 526.387 4.175 50 30 KIEALO COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102496318 554940818 /nfs/dbraw/zinc/94/08/18/554940818.db2.gz YOGNMQHECKNBQW-MOBKVPTQSA-N 1 2 526.387 4.175 50 30 KIEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(O)cc1 ZINC000102498761 554941533 /nfs/dbraw/zinc/94/15/33/554941533.db2.gz UFXBTDQSLBJDIX-MIOXIQPJSA-N 1 2 542.632 4.424 50 30 KIEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(O)cc1 ZINC000102498770 554941600 /nfs/dbraw/zinc/94/16/00/554941600.db2.gz UFXBTDQSLBJDIX-WGGXKBPPSA-N 1 2 542.632 4.424 50 30 KIEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccc(Cl)cc3)oc21 ZINC000102499333 554941865 /nfs/dbraw/zinc/94/18/65/554941865.db2.gz KHDSBSITEAQHFQ-AYWGPLOBSA-N 1 2 510.974 4.239 50 30 KIEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccc(Cl)cc3)oc21 ZINC000102499341 554941931 /nfs/dbraw/zinc/94/19/31/554941931.db2.gz KHDSBSITEAQHFQ-ZHHPLPSFSA-N 1 2 510.974 4.239 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000102499793 554942203 /nfs/dbraw/zinc/94/22/03/554942203.db2.gz LBJXNBDPGTWMQZ-UUALVTFQSA-N 1 2 522.642 4.408 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000102499804 554942144 /nfs/dbraw/zinc/94/21/44/554942144.db2.gz LBJXNBDPGTWMQZ-ONQGDUAMSA-N 1 2 522.642 4.408 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(O)cc2)cc1C ZINC000102506093 554944542 /nfs/dbraw/zinc/94/45/42/554944542.db2.gz CIZYZCRLWWCTBF-CZNAVJSXSA-N 1 2 508.615 4.024 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(O)cc2)cc1C ZINC000102506101 554944655 /nfs/dbraw/zinc/94/46/55/554944655.db2.gz CIZYZCRLWWCTBF-CJJGVWJISA-N 1 2 508.615 4.024 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000102508228 554945422 /nfs/dbraw/zinc/94/54/22/554945422.db2.gz NYXPGNOCFRULHB-IUKMQXEJSA-N 1 2 505.571 4.201 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000102508238 554945463 /nfs/dbraw/zinc/94/54/63/554945463.db2.gz NYXPGNOCFRULHB-NPJIAGGLSA-N 1 2 505.571 4.201 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000102514213 554947150 /nfs/dbraw/zinc/94/71/50/554947150.db2.gz ITRPPTATQMOBHF-TXTDGAROSA-N 1 2 582.694 4.344 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000102514221 554947297 /nfs/dbraw/zinc/94/72/97/554947297.db2.gz ITRPPTATQMOBHF-DFXXOVSGSA-N 1 2 582.694 4.344 50 30 KIEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(O)cc2)cc1 ZINC000102515721 554947892 /nfs/dbraw/zinc/94/78/92/554947892.db2.gz STMRMQOXQBJWIA-MIOXIQPJSA-N 1 2 542.632 4.424 50 30 KIEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000102515733 554947853 /nfs/dbraw/zinc/94/78/53/554947853.db2.gz STMRMQOXQBJWIA-WGGXKBPPSA-N 1 2 542.632 4.424 50 30 KIEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccc(Br)cc3)oc21 ZINC000102516263 554947812 /nfs/dbraw/zinc/94/78/12/554947812.db2.gz BVZVESSTBOXCAW-AYWGPLOBSA-N 1 2 555.425 4.348 50 30 KIEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccc(Br)cc3)oc21 ZINC000102516269 554947981 /nfs/dbraw/zinc/94/79/81/554947981.db2.gz BVZVESSTBOXCAW-ZHHPLPSFSA-N 1 2 555.425 4.348 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000102517832 554948701 /nfs/dbraw/zinc/94/87/01/554948701.db2.gz IUBUUBWUTMWQSX-DHJMZRGKSA-N 1 2 551.684 4.250 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000102517840 554948783 /nfs/dbraw/zinc/94/87/83/554948783.db2.gz IUBUUBWUTMWQSX-GAPOMRBKSA-N 1 2 551.684 4.250 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000102518979 554949084 /nfs/dbraw/zinc/94/90/84/554949084.db2.gz YLUIMXMPLIEYGA-MOBKVPTQSA-N 1 2 505.398 4.146 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000102518988 554948998 /nfs/dbraw/zinc/94/89/98/554948998.db2.gz YLUIMXMPLIEYGA-HOGKFDNTSA-N 1 2 505.398 4.146 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccnc2)ccc1OCc1ccccc1 ZINC000102519283 554949354 /nfs/dbraw/zinc/94/93/54/554949354.db2.gz HGOHAYXQQOAJHF-TXTDGAROSA-N 1 2 527.621 4.113 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccnc2)ccc1OCc1ccccc1 ZINC000102519294 554949371 /nfs/dbraw/zinc/94/93/71/554949371.db2.gz HGOHAYXQQOAJHF-DFXXOVSGSA-N 1 2 527.621 4.113 50 30 KIEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000102521151 554949606 /nfs/dbraw/zinc/94/96/06/554949606.db2.gz RHHNYZHYBKJZAV-NPJIAGGLSA-N 1 2 505.571 4.201 50 30 KIEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000102521157 554949599 /nfs/dbraw/zinc/94/95/99/554949599.db2.gz RHHNYZHYBKJZAV-IUKMQXEJSA-N 1 2 505.571 4.201 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000102521790 554949963 /nfs/dbraw/zinc/94/99/63/554949963.db2.gz OAWCUPPPXDDNSG-CZNAVJSXSA-N 1 2 508.615 4.018 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000102521801 554949886 /nfs/dbraw/zinc/94/98/86/554949886.db2.gz OAWCUPPPXDDNSG-CJJGVWJISA-N 1 2 508.615 4.018 50 30 KIEALO CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102522372 554949904 /nfs/dbraw/zinc/94/99/04/554949904.db2.gz MJBZEVKPQBWBOY-NPJIAGGLSA-N 1 2 501.583 4.464 50 30 KIEALO CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102522382 554949945 /nfs/dbraw/zinc/94/99/45/554949945.db2.gz MJBZEVKPQBWBOY-IUKMQXEJSA-N 1 2 501.583 4.464 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000102525676 554951953 /nfs/dbraw/zinc/95/19/53/554951953.db2.gz KRLITWRVOKCASJ-ZHHPLPSFSA-N 1 2 511.962 4.074 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000102525682 554951893 /nfs/dbraw/zinc/95/18/93/554951893.db2.gz KRLITWRVOKCASJ-AYWGPLOBSA-N 1 2 511.962 4.074 50 30 KIEALO CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102526001 554951916 /nfs/dbraw/zinc/95/19/16/554951916.db2.gz HRQHOSSIBMRYFD-WZEFDDPJSA-N 1 2 534.653 4.333 50 30 KIEALO CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102526011 554951937 /nfs/dbraw/zinc/95/19/37/554951937.db2.gz HRQHOSSIBMRYFD-XKHRQMKWSA-N 1 2 534.653 4.333 50 30 KIEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccnc1 ZINC000102526138 554951898 /nfs/dbraw/zinc/95/18/98/554951898.db2.gz ZTYGWNCZCKTDKY-TXTDGAROSA-N 1 2 527.621 4.113 50 30 KIEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccnc1 ZINC000102526146 554951870 /nfs/dbraw/zinc/95/18/70/554951870.db2.gz ZTYGWNCZCKTDKY-DFXXOVSGSA-N 1 2 527.621 4.113 50 30 KIEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000102526302 554951848 /nfs/dbraw/zinc/95/18/48/554951848.db2.gz ZSLZIGNHUXZOOB-DFXXOVSGSA-N 1 2 552.668 4.334 50 30 KIEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000102526309 554952216 /nfs/dbraw/zinc/95/22/16/554952216.db2.gz ZSLZIGNHUXZOOB-TXTDGAROSA-N 1 2 552.668 4.334 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000102526694 554952221 /nfs/dbraw/zinc/95/22/21/554952221.db2.gz XFROHQAXNHTGQQ-NXLSWJSLSA-N 1 2 525.989 4.464 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000102526701 554952254 /nfs/dbraw/zinc/95/22/54/554952254.db2.gz XFROHQAXNHTGQQ-SBXHHDGASA-N 1 2 525.989 4.464 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000102527169 554952512 /nfs/dbraw/zinc/95/25/12/554952512.db2.gz IQKVSVKUBCOWBF-TXTDGAROSA-N 1 2 582.694 4.200 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000102527177 554952492 /nfs/dbraw/zinc/95/24/92/554952492.db2.gz IQKVSVKUBCOWBF-DFXXOVSGSA-N 1 2 582.694 4.200 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102527466 554952468 /nfs/dbraw/zinc/95/24/68/554952468.db2.gz HUBZOJGYGHUOHT-IUKMQXEJSA-N 1 2 505.571 4.201 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102527474 554952575 /nfs/dbraw/zinc/95/25/75/554952575.db2.gz HUBZOJGYGHUOHT-NPJIAGGLSA-N 1 2 505.571 4.201 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(Cl)cc2)c1C ZINC000102528753 554953100 /nfs/dbraw/zinc/95/31/00/554953100.db2.gz GZNMSMRWEKYSDK-HFEWCJDKSA-N 1 2 510.978 4.170 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(Cl)cc2)c1C ZINC000102528753 554953098 /nfs/dbraw/zinc/95/30/98/554953098.db2.gz GZNMSMRWEKYSDK-HFEWCJDKSA-N 1 2 510.978 4.170 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(Cl)cc2)c1C ZINC000102528759 554953128 /nfs/dbraw/zinc/95/31/28/554953128.db2.gz GZNMSMRWEKYSDK-IAMBOQNYSA-N 1 2 510.978 4.170 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(Cl)cc2)c1C ZINC000102528759 554953126 /nfs/dbraw/zinc/95/31/26/554953126.db2.gz GZNMSMRWEKYSDK-IAMBOQNYSA-N 1 2 510.978 4.170 50 30 KIEALO C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102530656 554953678 /nfs/dbraw/zinc/95/36/78/554953678.db2.gz HPSALTZHOASUCQ-PMERELPUSA-N 1 2 588.730 4.408 50 30 KIEALO C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102530662 554953651 /nfs/dbraw/zinc/95/36/51/554953651.db2.gz HPSALTZHOASUCQ-SSEXGKCCSA-N 1 2 588.730 4.408 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccncc2)ccc1OCc1ccccc1 ZINC000102531378 554953944 /nfs/dbraw/zinc/95/39/44/554953944.db2.gz VVYIXKBHQQSREP-TXTDGAROSA-N 1 2 527.621 4.113 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccncc2)ccc1OCc1ccccc1 ZINC000102531387 554954183 /nfs/dbraw/zinc/95/41/83/554954183.db2.gz VVYIXKBHQQSREP-DFXXOVSGSA-N 1 2 527.621 4.113 50 30 KIEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(O)c2)cc1 ZINC000102531750 554954217 /nfs/dbraw/zinc/95/42/17/554954217.db2.gz WTNUKKCBZYSWNG-MIOXIQPJSA-N 1 2 542.632 4.424 50 30 KIEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(O)c2)cc1 ZINC000102531759 554954062 /nfs/dbraw/zinc/95/40/62/554954062.db2.gz WTNUKKCBZYSWNG-WGGXKBPPSA-N 1 2 542.632 4.424 50 30 KIEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000102534032 554955113 /nfs/dbraw/zinc/95/51/13/554955113.db2.gz XMALMOWLFVJKEW-YJMWBXFMSA-N 1 2 564.679 4.342 50 30 KIEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000102534041 554955009 /nfs/dbraw/zinc/95/50/09/554955009.db2.gz XMALMOWLFVJKEW-MNOIWJKESA-N 1 2 564.679 4.342 50 30 KIEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccncc1 ZINC000102534478 554955100 /nfs/dbraw/zinc/95/51/00/554955100.db2.gz GUYPILQAEYNUSV-TXTDGAROSA-N 1 2 527.621 4.113 50 30 KIEALO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccncc1 ZINC000102534486 554955147 /nfs/dbraw/zinc/95/51/47/554955147.db2.gz GUYPILQAEYNUSV-DFXXOVSGSA-N 1 2 527.621 4.113 50 30 KIEALO C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000102534668 554954922 /nfs/dbraw/zinc/95/49/22/554954922.db2.gz BUPVPGAMGRWYIB-KZVIGXRYSA-N 1 2 522.399 4.481 50 30 KIEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000102534668 554954919 /nfs/dbraw/zinc/95/49/19/554954919.db2.gz BUPVPGAMGRWYIB-KZVIGXRYSA-N 1 2 522.399 4.481 50 30 KIEALO C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000102534675 554955080 /nfs/dbraw/zinc/95/50/80/554955080.db2.gz BUPVPGAMGRWYIB-XTNNDJGYSA-N 1 2 522.399 4.481 50 30 KIEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000102534675 554955076 /nfs/dbraw/zinc/95/50/76/554955076.db2.gz BUPVPGAMGRWYIB-XTNNDJGYSA-N 1 2 522.399 4.481 50 30 KIEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3cccc(Cl)c3)oc21 ZINC000102534718 554955090 /nfs/dbraw/zinc/95/50/90/554955090.db2.gz RGJXJWQLEOVRBW-AYWGPLOBSA-N 1 2 510.974 4.239 50 30 KIEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3cccc(Cl)c3)oc21 ZINC000102534725 554955119 /nfs/dbraw/zinc/95/51/19/554955119.db2.gz RGJXJWQLEOVRBW-ZHHPLPSFSA-N 1 2 510.974 4.239 50 30 KIEALO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cnn1-c1ccccc1 ZINC000102536249 554955674 /nfs/dbraw/zinc/95/56/74/554955674.db2.gz FMBSNULUKHFHOT-TXTDGAROSA-N 1 2 528.653 4.448 50 30 KIEALO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cnn1-c1ccccc1 ZINC000102536257 554955630 /nfs/dbraw/zinc/95/56/30/554955630.db2.gz FMBSNULUKHFHOT-DFXXOVSGSA-N 1 2 528.653 4.448 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000102538884 554956484 /nfs/dbraw/zinc/95/64/84/554956484.db2.gz ZLHCDLMQFNNGNU-TXTDGAROSA-N 1 2 582.694 4.200 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000102538894 554956561 /nfs/dbraw/zinc/95/65/61/554956561.db2.gz ZLHCDLMQFNNGNU-DFXXOVSGSA-N 1 2 582.694 4.200 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000102539282 554956742 /nfs/dbraw/zinc/95/67/42/554956742.db2.gz PHIAQYRZVIRYPR-CZNAVJSXSA-N 1 2 537.613 4.226 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000102539291 554956794 /nfs/dbraw/zinc/95/67/94/554956794.db2.gz PHIAQYRZVIRYPR-CJJGVWJISA-N 1 2 537.613 4.226 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000102539808 554957117 /nfs/dbraw/zinc/95/71/17/554957117.db2.gz PGMAMVSYXRACIX-MIOXIQPJSA-N 1 2 542.632 4.424 50 30 KIEALO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000102539819 554957059 /nfs/dbraw/zinc/95/70/59/554957059.db2.gz PGMAMVSYXRACIX-WGGXKBPPSA-N 1 2 542.632 4.424 50 30 KIEALO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000102540359 554957413 /nfs/dbraw/zinc/95/74/13/554957413.db2.gz HFUGISMHNOHLNW-DFXXOVSGSA-N 1 2 552.668 4.278 50 30 KIEALO CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000102540367 554957374 /nfs/dbraw/zinc/95/73/74/554957374.db2.gz HFUGISMHNOHLNW-TXTDGAROSA-N 1 2 552.668 4.278 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)c1C ZINC000102542165 554957903 /nfs/dbraw/zinc/95/79/03/554957903.db2.gz GFDARXYNNCGIMI-DHJMZRGKSA-N 1 2 537.657 4.076 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)c1C ZINC000102542174 554957888 /nfs/dbraw/zinc/95/78/88/554957888.db2.gz GFDARXYNNCGIMI-GAPOMRBKSA-N 1 2 537.657 4.076 50 30 KIEALO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000102542911 554958116 /nfs/dbraw/zinc/95/81/16/554958116.db2.gz AXYHWDORAHAXEV-DFXXOVSGSA-N 1 2 552.668 4.278 50 30 KIEALO CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000102542917 554958207 /nfs/dbraw/zinc/95/82/07/554958207.db2.gz AXYHWDORAHAXEV-TXTDGAROSA-N 1 2 552.668 4.278 50 30 KIEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000102559339 554966860 /nfs/dbraw/zinc/96/68/60/554966860.db2.gz QJEKFYWUVYMRIZ-WGGXKBPPSA-N 1 2 580.678 4.179 50 30 KIEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000102559347 554966912 /nfs/dbraw/zinc/96/69/12/554966912.db2.gz QJEKFYWUVYMRIZ-MIOXIQPJSA-N 1 2 580.678 4.179 50 30 KIEALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102611187 554981245 /nfs/dbraw/zinc/98/12/45/554981245.db2.gz LFIMGGNHUWIJHC-HHHXNRCGSA-N 1 2 527.593 4.109 50 30 KIEALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102611189 554981206 /nfs/dbraw/zinc/98/12/06/554981206.db2.gz LFIMGGNHUWIJHC-MHZLTWQESA-N 1 2 527.593 4.109 50 30 KIEALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102612811 554982299 /nfs/dbraw/zinc/98/22/99/554982299.db2.gz YZBDNNOACYAUMO-AREMUKBSSA-N 1 2 527.593 4.109 50 30 KIEALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102612814 554982293 /nfs/dbraw/zinc/98/22/93/554982293.db2.gz YZBDNNOACYAUMO-SANMLTNESA-N 1 2 527.593 4.109 50 30 KIEALO CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102647856 554993877 /nfs/dbraw/zinc/99/38/77/554993877.db2.gz HRQHOSSIBMRYFD-JEPDFCTISA-N 1 2 534.653 4.333 50 30 KIEALO CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102647858 554993884 /nfs/dbraw/zinc/99/38/84/554993884.db2.gz HRQHOSSIBMRYFD-WMRKGWLDSA-N 1 2 534.653 4.333 50 30 KIEALO C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000102649267 554994812 /nfs/dbraw/zinc/99/48/12/554994812.db2.gz BUPVPGAMGRWYIB-LEQIOXTRSA-N 1 2 522.399 4.481 50 30 KIEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000102649267 554994810 /nfs/dbraw/zinc/99/48/10/554994810.db2.gz BUPVPGAMGRWYIB-LEQIOXTRSA-N 1 2 522.399 4.481 50 30 KIEALO C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000102649270 554994789 /nfs/dbraw/zinc/99/47/89/554994789.db2.gz BUPVPGAMGRWYIB-FIMCBBJJSA-N 1 2 522.399 4.481 50 30 KIEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000102649270 554994786 /nfs/dbraw/zinc/99/47/86/554994786.db2.gz BUPVPGAMGRWYIB-FIMCBBJJSA-N 1 2 522.399 4.481 50 30 KIEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000102650968 554995614 /nfs/dbraw/zinc/99/56/14/554995614.db2.gz XMALMOWLFVJKEW-VTVSLZSGSA-N 1 2 564.679 4.342 50 30 KIEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000102650971 554996001 /nfs/dbraw/zinc/99/60/01/554996001.db2.gz XMALMOWLFVJKEW-ZHJYXLETSA-N 1 2 564.679 4.342 50 30 KIEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102654531 554997741 /nfs/dbraw/zinc/99/77/41/554997741.db2.gz JVLPVEZYHLBUSN-CJJGVWJISA-N 1 2 517.582 4.345 50 30 KIEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102654533 554997637 /nfs/dbraw/zinc/99/76/37/554997637.db2.gz JVLPVEZYHLBUSN-CZNAVJSXSA-N 1 2 517.582 4.345 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000102693685 555009141 /nfs/dbraw/zinc/00/91/41/555009141.db2.gz MSLDIYNHHICRLV-CZNAVJSXSA-N 1 2 510.606 4.457 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000102693689 555009164 /nfs/dbraw/zinc/00/91/64/555009164.db2.gz MSLDIYNHHICRLV-CJJGVWJISA-N 1 2 510.606 4.457 50 30 KIEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102698403 555012133 /nfs/dbraw/zinc/01/21/33/555012133.db2.gz KRRIKBZNOWQIMR-CJJGVWJISA-N 1 2 508.615 4.017 50 30 KIEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102698413 555012191 /nfs/dbraw/zinc/01/21/91/555012191.db2.gz KRRIKBZNOWQIMR-CZNAVJSXSA-N 1 2 508.615 4.017 50 30 KIEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccncc3)cc2)c1 ZINC000102698548 555012126 /nfs/dbraw/zinc/01/21/26/555012126.db2.gz ZRRBKNUCWDFKAN-TXTDGAROSA-N 1 2 527.621 4.113 50 30 KIEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccncc3)cc2)c1 ZINC000102698553 555012205 /nfs/dbraw/zinc/01/22/05/555012205.db2.gz ZRRBKNUCWDFKAN-DFXXOVSGSA-N 1 2 527.621 4.113 50 30 KIEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3cccnc3)cc2)c1 ZINC000102707941 555015669 /nfs/dbraw/zinc/01/56/69/555015669.db2.gz RWMIEWDBQFDJSX-TXTDGAROSA-N 1 2 527.621 4.113 50 30 KIEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3cccnc3)cc2)c1 ZINC000102707949 555015665 /nfs/dbraw/zinc/01/56/65/555015665.db2.gz RWMIEWDBQFDJSX-DFXXOVSGSA-N 1 2 527.621 4.113 50 30 KIEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccc(O)cc3)cc2)c1 ZINC000102712227 555017032 /nfs/dbraw/zinc/01/70/32/555017032.db2.gz YVNJUUHNVDRVOK-MIOXIQPJSA-N 1 2 542.632 4.424 50 30 KIEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccc(O)cc3)cc2)c1 ZINC000102712230 555016999 /nfs/dbraw/zinc/01/69/99/555016999.db2.gz YVNJUUHNVDRVOK-WGGXKBPPSA-N 1 2 542.632 4.424 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102714346 555018013 /nfs/dbraw/zinc/01/80/13/555018013.db2.gz JEUVQSBBSBKUHP-MOBKVPTQSA-N 1 2 505.398 4.146 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102714347 555017949 /nfs/dbraw/zinc/01/79/49/555017949.db2.gz JEUVQSBBSBKUHP-HOGKFDNTSA-N 1 2 505.398 4.146 50 30 KIEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccco3)cc2)c1 ZINC000102733714 555024415 /nfs/dbraw/zinc/02/44/15/555024415.db2.gz PMRASKMAWAHZOX-ONQGDUAMSA-N 1 2 516.594 4.311 50 30 KIEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccco3)cc2)c1 ZINC000102733718 555024421 /nfs/dbraw/zinc/02/44/21/555024421.db2.gz PMRASKMAWAHZOX-UUALVTFQSA-N 1 2 516.594 4.311 50 30 KIEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3cccc(O)c3)cc2)c1 ZINC000102734680 555024967 /nfs/dbraw/zinc/02/49/67/555024967.db2.gz UUMKMVCRVQDTSC-MIOXIQPJSA-N 1 2 542.632 4.424 50 30 KIEALO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3cccc(O)c3)cc2)c1 ZINC000102734683 555025025 /nfs/dbraw/zinc/02/50/25/555025025.db2.gz UUMKMVCRVQDTSC-WGGXKBPPSA-N 1 2 542.632 4.424 50 30 KIEALO CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102735093 555024981 /nfs/dbraw/zinc/02/49/81/555024981.db2.gz MAIIOTXKVZDBCI-HGZLRSGXSA-N 1 2 504.627 4.277 50 30 KIEALO CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102735094 555024943 /nfs/dbraw/zinc/02/49/43/555024943.db2.gz MAIIOTXKVZDBCI-PMABHTPKSA-N 1 2 504.627 4.277 50 30 KIEALO CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102735098 555025017 /nfs/dbraw/zinc/02/50/17/555025017.db2.gz MAIIOTXKVZDBCI-MNEKTFPPSA-N 1 2 504.627 4.277 50 30 KIEALO CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102735101 555025014 /nfs/dbraw/zinc/02/50/14/555025014.db2.gz MAIIOTXKVZDBCI-VDLDRNGKSA-N 1 2 504.627 4.277 50 30 KIEALO C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102770813 555058282 /nfs/dbraw/zinc/05/82/82/555058282.db2.gz DAGQQJZCOUXGEL-KZVIGXRYSA-N 1 2 522.399 4.481 50 30 KIEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102770813 555058280 /nfs/dbraw/zinc/05/82/80/555058280.db2.gz DAGQQJZCOUXGEL-KZVIGXRYSA-N 1 2 522.399 4.481 50 30 KIEALO C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102770815 555058237 /nfs/dbraw/zinc/05/82/37/555058237.db2.gz DAGQQJZCOUXGEL-XTNNDJGYSA-N 1 2 522.399 4.481 50 30 KIEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102770815 555058234 /nfs/dbraw/zinc/05/82/34/555058234.db2.gz DAGQQJZCOUXGEL-XTNNDJGYSA-N 1 2 522.399 4.481 50 30 KIEALO C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102770817 555058263 /nfs/dbraw/zinc/05/82/63/555058263.db2.gz DAGQQJZCOUXGEL-LEQIOXTRSA-N 1 2 522.399 4.481 50 30 KIEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102770817 555058260 /nfs/dbraw/zinc/05/82/60/555058260.db2.gz DAGQQJZCOUXGEL-LEQIOXTRSA-N 1 2 522.399 4.481 50 30 KIEALO C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102770818 555058128 /nfs/dbraw/zinc/05/81/28/555058128.db2.gz DAGQQJZCOUXGEL-FIMCBBJJSA-N 1 2 522.399 4.481 50 30 KIEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102770818 555058123 /nfs/dbraw/zinc/05/81/23/555058123.db2.gz DAGQQJZCOUXGEL-FIMCBBJJSA-N 1 2 522.399 4.481 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000102857704 555088810 /nfs/dbraw/zinc/08/88/10/555088810.db2.gz REAUMMTYHYFQDY-MOBKVPTQSA-N 1 2 505.398 4.146 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000102857707 555088897 /nfs/dbraw/zinc/08/88/97/555088897.db2.gz REAUMMTYHYFQDY-HOGKFDNTSA-N 1 2 505.398 4.146 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000102858182 555089189 /nfs/dbraw/zinc/08/91/89/555089189.db2.gz ZKPFEESLSCHYPL-CZNAVJSXSA-N 1 2 506.643 4.445 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000102858189 555089074 /nfs/dbraw/zinc/08/90/74/555089074.db2.gz ZKPFEESLSCHYPL-CJJGVWJISA-N 1 2 506.643 4.445 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000102859878 555090411 /nfs/dbraw/zinc/09/04/11/555090411.db2.gz IVXUETYINGISCC-AYWGPLOBSA-N 1 2 519.425 4.454 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000102859880 555090331 /nfs/dbraw/zinc/09/03/31/555090331.db2.gz IVXUETYINGISCC-ZHHPLPSFSA-N 1 2 519.425 4.454 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000102860268 555090315 /nfs/dbraw/zinc/09/03/15/555090315.db2.gz IZXBXQFJBCNYSD-NXLSWJSLSA-N 1 2 556.015 4.473 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000102860271 555090283 /nfs/dbraw/zinc/09/02/83/555090283.db2.gz IZXBXQFJBCNYSD-SBXHHDGASA-N 1 2 556.015 4.473 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(Cl)c2)c1C ZINC000102863724 555093466 /nfs/dbraw/zinc/09/34/66/555093466.db2.gz DCSWRDOLMOETSC-HFEWCJDKSA-N 1 2 510.978 4.170 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(Cl)c2)c1C ZINC000102863724 555093464 /nfs/dbraw/zinc/09/34/64/555093464.db2.gz DCSWRDOLMOETSC-HFEWCJDKSA-N 1 2 510.978 4.170 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(Cl)c2)c1C ZINC000102863730 555093617 /nfs/dbraw/zinc/09/36/17/555093617.db2.gz DCSWRDOLMOETSC-IAMBOQNYSA-N 1 2 510.978 4.170 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(Cl)c2)c1C ZINC000102863730 555093613 /nfs/dbraw/zinc/09/36/13/555093613.db2.gz DCSWRDOLMOETSC-IAMBOQNYSA-N 1 2 510.978 4.170 50 30 KIEALO COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102864030 555093950 /nfs/dbraw/zinc/09/39/50/555093950.db2.gz VIRPEWVOAMPLFM-ZHHPLPSFSA-N 1 2 511.962 4.074 50 30 KIEALO COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102864032 555093942 /nfs/dbraw/zinc/09/39/42/555093942.db2.gz VIRPEWVOAMPLFM-AYWGPLOBSA-N 1 2 511.962 4.074 50 30 KIEALO COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000102864716 555094147 /nfs/dbraw/zinc/09/41/47/555094147.db2.gz PMFGOTAGIRNSPS-TXTDGAROSA-N 1 2 552.668 4.191 50 30 KIEALO COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000102864722 555094551 /nfs/dbraw/zinc/09/45/51/555094551.db2.gz PMFGOTAGIRNSPS-DFXXOVSGSA-N 1 2 552.668 4.191 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000102866385 555095493 /nfs/dbraw/zinc/09/54/93/555095493.db2.gz YNVUXCPSPBAPOJ-QMMFTLRZSA-N 1 2 572.658 4.432 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000102866386 555095540 /nfs/dbraw/zinc/09/55/40/555095540.db2.gz YNVUXCPSPBAPOJ-VEZPTTSMSA-N 1 2 572.658 4.432 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(Br)c2)c1C ZINC000102866709 555096118 /nfs/dbraw/zinc/09/61/18/555096118.db2.gz PYSDKHMVXIDNAC-HFEWCJDKSA-N 1 2 555.429 4.279 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(Br)c2)c1C ZINC000102866709 555096116 /nfs/dbraw/zinc/09/61/16/555096116.db2.gz PYSDKHMVXIDNAC-HFEWCJDKSA-N 1 2 555.429 4.279 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(Br)c2)c1C ZINC000102866712 555096103 /nfs/dbraw/zinc/09/61/03/555096103.db2.gz PYSDKHMVXIDNAC-IAMBOQNYSA-N 1 2 555.429 4.279 50 30 KIEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(Br)c2)c1C ZINC000102866712 555096101 /nfs/dbraw/zinc/09/61/01/555096101.db2.gz PYSDKHMVXIDNAC-IAMBOQNYSA-N 1 2 555.429 4.279 50 30 KIEALO CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102866789 555096121 /nfs/dbraw/zinc/09/61/21/555096121.db2.gz JPHDSMHITSAEKE-CJJGVWJISA-N 1 2 517.582 4.345 50 30 KIEALO CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102866792 555096067 /nfs/dbraw/zinc/09/60/67/555096067.db2.gz JPHDSMHITSAEKE-CZNAVJSXSA-N 1 2 517.582 4.345 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000102872400 555103003 /nfs/dbraw/zinc/10/30/03/555103003.db2.gz JHNDQHQYZVMMCY-QMMFTLRZSA-N 1 2 572.658 4.432 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000102872404 555102976 /nfs/dbraw/zinc/10/29/76/555102976.db2.gz JHNDQHQYZVMMCY-VEZPTTSMSA-N 1 2 572.658 4.432 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)cc2Cl)c(C)c1 ZINC000102873328 555103783 /nfs/dbraw/zinc/10/37/83/555103783.db2.gz BUVOTWQFYUZDSP-AYWGPLOBSA-N 1 2 519.425 4.454 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)cc2Cl)c(C)c1 ZINC000102873329 555103788 /nfs/dbraw/zinc/10/37/88/555103788.db2.gz BUVOTWQFYUZDSP-ZHHPLPSFSA-N 1 2 519.425 4.454 50 30 KIEALO CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(C(=O)OC)cc2)cc1Cl ZINC000102873911 555104020 /nfs/dbraw/zinc/10/40/20/555104020.db2.gz UIXXBONBMMEDGT-AYWGPLOBSA-N 1 2 523.973 4.234 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(C(=O)OC)cc2)cc1Cl ZINC000102873911 555104019 /nfs/dbraw/zinc/10/40/19/555104019.db2.gz UIXXBONBMMEDGT-AYWGPLOBSA-N 1 2 523.973 4.234 50 30 KIEALO CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1Cl ZINC000102873913 555104038 /nfs/dbraw/zinc/10/40/38/555104038.db2.gz UIXXBONBMMEDGT-ZHHPLPSFSA-N 1 2 523.973 4.234 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1Cl ZINC000102873913 555104037 /nfs/dbraw/zinc/10/40/37/555104037.db2.gz UIXXBONBMMEDGT-ZHHPLPSFSA-N 1 2 523.973 4.234 50 30 KIEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102874352 555104526 /nfs/dbraw/zinc/10/45/26/555104526.db2.gz LAOVWMCESNMZDC-ONQGDUAMSA-N 1 2 520.626 4.184 50 30 KIEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102874356 555104597 /nfs/dbraw/zinc/10/45/97/555104597.db2.gz LAOVWMCESNMZDC-UUALVTFQSA-N 1 2 520.626 4.184 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102875253 555105188 /nfs/dbraw/zinc/10/51/88/555105188.db2.gz CZXFJTRKONJCFB-TXTDGAROSA-N 1 2 582.694 4.344 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102875255 555105196 /nfs/dbraw/zinc/10/51/96/555105196.db2.gz CZXFJTRKONJCFB-DFXXOVSGSA-N 1 2 582.694 4.344 50 30 KIEALO COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000102875463 555105401 /nfs/dbraw/zinc/10/54/01/555105401.db2.gz WUBBWFZJSFPEOH-UVDRRRQGSA-N 1 2 518.614 4.424 50 30 KIEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000102875463 555105398 /nfs/dbraw/zinc/10/53/98/555105398.db2.gz WUBBWFZJSFPEOH-UVDRRRQGSA-N 1 2 518.614 4.424 50 30 KIEALO COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000102875467 555105460 /nfs/dbraw/zinc/10/54/60/555105460.db2.gz WUBBWFZJSFPEOH-ZZIWUOEGSA-N 1 2 518.614 4.424 50 30 KIEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000102875467 555105458 /nfs/dbraw/zinc/10/54/58/555105458.db2.gz WUBBWFZJSFPEOH-ZZIWUOEGSA-N 1 2 518.614 4.424 50 30 KIEALO CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2c(C)[nH+]c3ccccn32)[C@H]1c1cccc(Br)c1 ZINC000102875874 555105873 /nfs/dbraw/zinc/10/58/73/555105873.db2.gz AVRIJGDVZNDQHU-IAMBOQNYSA-N 1 2 511.420 4.169 50 30 KIEALO CC[NH+](CC)CCN1C(=O)C(=O)C(=C(O)c2c(C)nc3ccccn32)[C@H]1c1cccc(Br)c1 ZINC000102875874 555105871 /nfs/dbraw/zinc/10/58/71/555105871.db2.gz AVRIJGDVZNDQHU-IAMBOQNYSA-N 1 2 511.420 4.169 50 30 KIEALO CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2c(C)[nH+]c3ccccn32)[C@@H]1c1cccc(Br)c1 ZINC000102875877 555105985 /nfs/dbraw/zinc/10/59/85/555105985.db2.gz AVRIJGDVZNDQHU-HFEWCJDKSA-N 1 2 511.420 4.169 50 30 KIEALO CC[NH+](CC)CCN1C(=O)C(=O)C(=C(O)c2c(C)nc3ccccn32)[C@@H]1c1cccc(Br)c1 ZINC000102875877 555105981 /nfs/dbraw/zinc/10/59/81/555105981.db2.gz AVRIJGDVZNDQHU-HFEWCJDKSA-N 1 2 511.420 4.169 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000102878135 555107521 /nfs/dbraw/zinc/10/75/21/555107521.db2.gz OEQNIKLXCCODJY-AYWGPLOBSA-N 1 2 519.425 4.454 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000102878138 555107580 /nfs/dbraw/zinc/10/75/80/555107580.db2.gz OEQNIKLXCCODJY-ZHHPLPSFSA-N 1 2 519.425 4.454 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102878187 555107585 /nfs/dbraw/zinc/10/75/85/555107585.db2.gz BUCOHVFIGAAKAO-TXTDGAROSA-N 1 2 552.668 4.335 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102878189 555107607 /nfs/dbraw/zinc/10/76/07/555107607.db2.gz BUCOHVFIGAAKAO-DFXXOVSGSA-N 1 2 552.668 4.335 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000102879060 555108119 /nfs/dbraw/zinc/10/81/19/555108119.db2.gz JLTSMUIEEKKRMN-CZNAVJSXSA-N 1 2 537.613 4.226 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000102879062 555108115 /nfs/dbraw/zinc/10/81/15/555108115.db2.gz JLTSMUIEEKKRMN-CJJGVWJISA-N 1 2 537.613 4.226 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000102881798 555110503 /nfs/dbraw/zinc/11/05/03/555110503.db2.gz JKYUSLXYPOAVCN-JBCNATCCSA-N 1 2 519.823 4.247 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000102881799 555110479 /nfs/dbraw/zinc/11/04/79/555110479.db2.gz JKYUSLXYPOAVCN-MRJHHRETSA-N 1 2 519.823 4.247 50 30 KIEALO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102882172 555110475 /nfs/dbraw/zinc/11/04/75/555110475.db2.gz XBJHYHNYDNGEFF-DHJMZRGKSA-N 1 2 516.642 4.084 50 30 KIEALO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102882175 555110496 /nfs/dbraw/zinc/11/04/96/555110496.db2.gz XBJHYHNYDNGEFF-GAPOMRBKSA-N 1 2 516.642 4.084 50 30 KIEALO CCc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102882643 555110836 /nfs/dbraw/zinc/11/08/36/555110836.db2.gz TUSQZVDZBYFQAX-UUALVTFQSA-N 1 2 506.643 4.489 50 30 KIEALO CCc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102882647 555111101 /nfs/dbraw/zinc/11/11/01/555111101.db2.gz TUSQZVDZBYFQAX-ONQGDUAMSA-N 1 2 506.643 4.489 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102882667 555111037 /nfs/dbraw/zinc/11/10/37/555111037.db2.gz OWYYVOJFCGEUFG-VEZPTTSMSA-N 1 2 570.642 4.181 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102882668 555111121 /nfs/dbraw/zinc/11/11/21/555111121.db2.gz OWYYVOJFCGEUFG-QMMFTLRZSA-N 1 2 570.642 4.181 50 30 KIEALO COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102883187 555111665 /nfs/dbraw/zinc/11/16/65/555111665.db2.gz OSYRETIQAQWUAT-HOGKFDNTSA-N 1 2 526.387 4.175 50 30 KIEALO COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102883188 555111685 /nfs/dbraw/zinc/11/16/85/555111685.db2.gz OSYRETIQAQWUAT-MOBKVPTQSA-N 1 2 526.387 4.175 50 30 KIEALO COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000102883450 555111616 /nfs/dbraw/zinc/11/16/16/555111616.db2.gz UVWNLYFYLWFGRM-TXTDGAROSA-N 1 2 552.668 4.191 50 30 KIEALO COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000102883452 555111602 /nfs/dbraw/zinc/11/16/02/555111602.db2.gz UVWNLYFYLWFGRM-DFXXOVSGSA-N 1 2 552.668 4.191 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000102883538 555112117 /nfs/dbraw/zinc/11/21/17/555112117.db2.gz GTDWPARDSGWEEX-BGJULJLKSA-N 1 2 568.424 4.195 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000102883538 555112116 /nfs/dbraw/zinc/11/21/16/555112116.db2.gz GTDWPARDSGWEEX-BGJULJLKSA-N 1 2 568.424 4.195 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000102883540 555111958 /nfs/dbraw/zinc/11/19/58/555111958.db2.gz GTDWPARDSGWEEX-JEFHYQBXSA-N 1 2 568.424 4.195 50 30 KIEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000102883540 555111954 /nfs/dbraw/zinc/11/19/54/555111954.db2.gz GTDWPARDSGWEEX-JEFHYQBXSA-N 1 2 568.424 4.195 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000102883542 555112063 /nfs/dbraw/zinc/11/20/63/555112063.db2.gz GTDWPARDSGWEEX-NMSSPVSYSA-N 1 2 568.424 4.195 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000102883542 555112060 /nfs/dbraw/zinc/11/20/60/555112060.db2.gz GTDWPARDSGWEEX-NMSSPVSYSA-N 1 2 568.424 4.195 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000102883543 555112124 /nfs/dbraw/zinc/11/21/24/555112124.db2.gz GTDWPARDSGWEEX-PNHZJWGWSA-N 1 2 568.424 4.195 50 30 KIEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(Br)c1O ZINC000102883543 555112123 /nfs/dbraw/zinc/11/21/23/555112123.db2.gz GTDWPARDSGWEEX-PNHZJWGWSA-N 1 2 568.424 4.195 50 30 KIEALO CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102884514 555113527 /nfs/dbraw/zinc/11/35/27/555113527.db2.gz DWIHRXBXHQAOKN-DFXXOVSGSA-N 1 2 550.652 4.171 50 30 KIEALO CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102884515 555113478 /nfs/dbraw/zinc/11/34/78/555113478.db2.gz DWIHRXBXHQAOKN-TXTDGAROSA-N 1 2 550.652 4.171 50 30 KIEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000102886943 555117775 /nfs/dbraw/zinc/11/77/75/555117775.db2.gz MIQWRSUHXQFXOA-UUALVTFQSA-N 1 2 547.608 4.354 50 30 KIEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OCC ZINC000102886945 555117858 /nfs/dbraw/zinc/11/78/58/555117858.db2.gz MIQWRSUHXQFXOA-ONQGDUAMSA-N 1 2 547.608 4.354 50 30 KIEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102887021 555117896 /nfs/dbraw/zinc/11/78/96/555117896.db2.gz SNYSTTALDXORKB-UUALVTFQSA-N 1 2 547.608 4.354 50 30 KIEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102887023 555117833 /nfs/dbraw/zinc/11/78/33/555117833.db2.gz SNYSTTALDXORKB-ONQGDUAMSA-N 1 2 547.608 4.354 50 30 KIEALO CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102887601 555119539 /nfs/dbraw/zinc/11/95/39/555119539.db2.gz SINWOAHAWWTCGX-UUALVTFQSA-N 1 2 506.643 4.428 50 30 KIEALO CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102887604 555119509 /nfs/dbraw/zinc/11/95/09/555119509.db2.gz SINWOAHAWWTCGX-ONQGDUAMSA-N 1 2 506.643 4.428 50 30 KIEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccnc2)cc1 ZINC000102894207 555132263 /nfs/dbraw/zinc/13/22/63/555132263.db2.gz INOLNEXBSXLWHL-TXTDGAROSA-N 1 2 527.621 4.113 50 30 KIEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccnc2)cc1 ZINC000102894209 555132224 /nfs/dbraw/zinc/13/22/24/555132224.db2.gz INOLNEXBSXLWHL-DFXXOVSGSA-N 1 2 527.621 4.113 50 30 KIEALO CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCCC(C)C ZINC000102895812 555135196 /nfs/dbraw/zinc/13/51/96/555135196.db2.gz GXUDADFTRKRDLQ-VEZPTTSMSA-N 1 2 594.705 4.425 50 30 KIEALO CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1OCCC(C)C ZINC000102895816 555135239 /nfs/dbraw/zinc/13/52/39/555135239.db2.gz GXUDADFTRKRDLQ-QMMFTLRZSA-N 1 2 594.705 4.425 50 30 KIEALO O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102896141 555135700 /nfs/dbraw/zinc/13/57/00/555135700.db2.gz GKBQRDBRXSLDDP-HOGKFDNTSA-N 1 2 514.365 4.473 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000102896141 555135697 /nfs/dbraw/zinc/13/56/97/555135697.db2.gz GKBQRDBRXSLDDP-HOGKFDNTSA-N 1 2 514.365 4.473 50 30 KIEALO O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102896142 555135807 /nfs/dbraw/zinc/13/58/07/555135807.db2.gz GKBQRDBRXSLDDP-MOBKVPTQSA-N 1 2 514.365 4.473 50 30 KIEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000102896142 555135805 /nfs/dbraw/zinc/13/58/05/555135805.db2.gz GKBQRDBRXSLDDP-MOBKVPTQSA-N 1 2 514.365 4.473 50 30 KIEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102896646 555136513 /nfs/dbraw/zinc/13/65/13/555136513.db2.gz CGULVCMRMYFMFS-IOUQRVAPSA-N 1 2 517.582 4.126 50 30 KIEALO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102896649 555136576 /nfs/dbraw/zinc/13/65/76/555136576.db2.gz CGULVCMRMYFMFS-BFLOGMOSSA-N 1 2 517.582 4.126 50 30 KIEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102896650 555136541 /nfs/dbraw/zinc/13/65/41/555136541.db2.gz CGULVCMRMYFMFS-PLWHFILJSA-N 1 2 517.582 4.126 50 30 KIEALO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102896653 555136569 /nfs/dbraw/zinc/13/65/69/555136569.db2.gz CGULVCMRMYFMFS-XCSSDTEYSA-N 1 2 517.582 4.126 50 30 KIEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccncc2)cc1 ZINC000102925930 555150220 /nfs/dbraw/zinc/15/02/20/555150220.db2.gz RQJMLGKTIIWDFH-TXTDGAROSA-N 1 2 527.621 4.113 50 30 KIEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccncc2)cc1 ZINC000102925933 555150212 /nfs/dbraw/zinc/15/02/12/555150212.db2.gz RQJMLGKTIIWDFH-DFXXOVSGSA-N 1 2 527.621 4.113 50 30 KIEALO COC(=O)c1c(/N=C/c2cc(I)cc(I)c2O)sc2c1CC[N@@H+](C)C2 ZINC000102926788 555151536 /nfs/dbraw/zinc/15/15/36/555151536.db2.gz VUMUNDCMRAOKKO-IFRROFPPSA-N 1 2 582.201 4.188 50 30 KIEALO COC(=O)c1c(/N=C/c2cc(I)cc(I)c2O)sc2c1CC[N@H+](C)C2 ZINC000102926788 555151533 /nfs/dbraw/zinc/15/15/33/555151533.db2.gz VUMUNDCMRAOKKO-IFRROFPPSA-N 1 2 582.201 4.188 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102927448 555152185 /nfs/dbraw/zinc/15/21/85/555152185.db2.gz TVSJPJPYWXABJN-NXLSWJSLSA-N 1 2 505.571 4.201 50 30 KIEALO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102927452 555152189 /nfs/dbraw/zinc/15/21/89/555152189.db2.gz TVSJPJPYWXABJN-SBXHHDGASA-N 1 2 505.571 4.201 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000102928043 555153182 /nfs/dbraw/zinc/15/31/82/555153182.db2.gz RMXVDYALBPYCFM-MOBKVPTQSA-N 1 2 505.398 4.146 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000102928045 555153242 /nfs/dbraw/zinc/15/32/42/555153242.db2.gz RMXVDYALBPYCFM-HOGKFDNTSA-N 1 2 505.398 4.146 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000102928405 555153778 /nfs/dbraw/zinc/15/37/78/555153778.db2.gz XGAXFLJPXPYLNP-TXTDGAROSA-N 1 2 552.668 4.422 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000102928408 555153751 /nfs/dbraw/zinc/15/37/51/555153751.db2.gz XGAXFLJPXPYLNP-DFXXOVSGSA-N 1 2 552.668 4.422 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(OC)c2OC)cc1Cl ZINC000102929200 555154681 /nfs/dbraw/zinc/15/46/81/555154681.db2.gz YCSVTOPRCKUVME-HOGKFDNTSA-N 1 2 511.962 4.074 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(OC)c2OC)cc1Cl ZINC000102929202 555154675 /nfs/dbraw/zinc/15/46/75/555154675.db2.gz YCSVTOPRCKUVME-MOBKVPTQSA-N 1 2 511.962 4.074 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)cc1C ZINC000102929340 555155047 /nfs/dbraw/zinc/15/50/47/555155047.db2.gz RZGCCJVVRJJGDK-ONQGDUAMSA-N 1 2 538.641 4.032 50 30 KIEALO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1C ZINC000102929342 555155068 /nfs/dbraw/zinc/15/50/68/555155068.db2.gz RZGCCJVVRJJGDK-UUALVTFQSA-N 1 2 538.641 4.032 50 30 KIEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccco2)cc1 ZINC000102931218 555158553 /nfs/dbraw/zinc/15/85/53/555158553.db2.gz MZSFRIRMSMHGTD-ONQGDUAMSA-N 1 2 516.594 4.311 50 30 KIEALO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccco2)cc1 ZINC000102931221 555158537 /nfs/dbraw/zinc/15/85/37/555158537.db2.gz MZSFRIRMSMHGTD-UUALVTFQSA-N 1 2 516.594 4.311 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102931415 555158766 /nfs/dbraw/zinc/15/87/66/555158766.db2.gz QWSKGENOTPSIQY-CZNAVJSXSA-N 1 2 508.615 4.017 50 30 KIEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102931420 555158848 /nfs/dbraw/zinc/15/88/48/555158848.db2.gz QWSKGENOTPSIQY-CJJGVWJISA-N 1 2 508.615 4.017 50 30 KIEALO N#Cc1ccccc1NC(=O)c1sc(NCC[NH+]2CCOCC2)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1N ZINC000102931774 555159348 /nfs/dbraw/zinc/15/93/48/555159348.db2.gz STOCXTIXHNGDAS-QFIPXVFZSA-N 1 2 593.031 4.076 50 30 KIEALO N#Cc1ccccc1NC(=O)c1sc(NCC[NH+]2CCOCC2)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1N ZINC000102931777 555159355 /nfs/dbraw/zinc/15/93/55/555159355.db2.gz STOCXTIXHNGDAS-JOCHJYFZSA-N 1 2 593.031 4.076 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000102932451 555159958 /nfs/dbraw/zinc/15/99/58/555159958.db2.gz JQWXXLIZKNCQKW-AYWGPLOBSA-N 1 2 519.425 4.454 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000102932457 555159919 /nfs/dbraw/zinc/15/99/19/555159919.db2.gz JQWXXLIZKNCQKW-ZHHPLPSFSA-N 1 2 519.425 4.454 50 30 KIEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3cccc(Br)c3)oc21 ZINC000102933386 555160517 /nfs/dbraw/zinc/16/05/17/555160517.db2.gz VWRGZIYWNPHTNH-AYWGPLOBSA-N 1 2 555.425 4.348 50 30 KIEALO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3cccc(Br)c3)oc21 ZINC000102933387 555160490 /nfs/dbraw/zinc/16/04/90/555160490.db2.gz VWRGZIYWNPHTNH-ZHHPLPSFSA-N 1 2 555.425 4.348 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)NCCC)CC1 ZINC000102938978 555167660 /nfs/dbraw/zinc/16/76/60/555167660.db2.gz UBERVWNZUINMIT-QHCPKHFHSA-N 1 2 552.503 4.190 50 30 KIEALO C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)NCCC)CC1 ZINC000102938978 555167659 /nfs/dbraw/zinc/16/76/59/555167659.db2.gz UBERVWNZUINMIT-QHCPKHFHSA-N 1 2 552.503 4.190 50 30 KIEALO C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)NCCC)CC1 ZINC000102938981 555167684 /nfs/dbraw/zinc/16/76/84/555167684.db2.gz UBERVWNZUINMIT-HSZRJFAPSA-N 1 2 552.503 4.190 50 30 KIEALO C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)NCCC)CC1 ZINC000102938981 555167682 /nfs/dbraw/zinc/16/76/82/555167682.db2.gz UBERVWNZUINMIT-HSZRJFAPSA-N 1 2 552.503 4.190 50 30 KIEALO CCCCCCCCCC(=O)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1 ZINC000102997999 555197172 /nfs/dbraw/zinc/19/71/72/555197172.db2.gz SAWCQVPEMPSKQD-UHFFFAOYSA-N 1 2 526.701 4.021 50 30 KIEALO CCCCCCCCCC(=O)N1CCN(c2nc(C[N@H+]3CCc4cc(OC)c(OC)cc4C3)cc(=O)[nH]2)CC1 ZINC000102998012 555197157 /nfs/dbraw/zinc/19/71/57/555197157.db2.gz HECYMBJKXHWWIF-UHFFFAOYSA-N 1 2 539.721 4.135 50 30 KIEALO CCCCCCCCCC(=O)N1CCN(c2nc(C[N@@H+]3CCc4cc(OC)c(OC)cc4C3)cc(=O)[nH]2)CC1 ZINC000102998012 555197154 /nfs/dbraw/zinc/19/71/54/555197154.db2.gz HECYMBJKXHWWIF-UHFFFAOYSA-N 1 2 539.721 4.135 50 30 KIEALO CCCCCCCCCCC(=O)N1CCN(c2cc(S(=O)(=O)N3CC[NH+](CC)CC3)ccc2OC)CC1 ZINC000102998957 555198226 /nfs/dbraw/zinc/19/82/26/555198226.db2.gz NQUBIPHWSSZXOM-UHFFFAOYSA-N 1 2 536.783 4.201 50 30 KIEALO C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000103016365 555209576 /nfs/dbraw/zinc/20/95/76/555209576.db2.gz TYNGDXRCRBDQQS-UHFFFAOYSA-N 1 2 533.075 4.427 50 30 KIEALO C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000103016365 555209573 /nfs/dbraw/zinc/20/95/73/555209573.db2.gz TYNGDXRCRBDQQS-UHFFFAOYSA-N 1 2 533.075 4.427 50 30 KIEALO CC1(C)O[C@@H]2C[C@@](OCc3ccc(F)cc3F)(C(=O)NCCCn3cc[nH+]c3)C[C@H](OCc3ccccc3C#N)[C@@H]2O1 ZINC000103023743 555214337 /nfs/dbraw/zinc/21/43/37/555214337.db2.gz PHADOKCPGASQBH-SMXDRTIVSA-N 1 2 580.632 4.394 50 30 KIEALO CC1(C)O[C@@H]2C[C@@](OCc3ccc(F)cc3F)(C(=O)NCCCn3cc[nH+]c3)C[C@@H](OCc3ccccc3C#N)[C@@H]2O1 ZINC000103023747 555214272 /nfs/dbraw/zinc/21/42/72/555214272.db2.gz PHADOKCPGASQBH-FATKCUQPSA-N 1 2 580.632 4.394 50 30 KIEALO N#Cc1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccc4nonc4c3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000103076107 555255328 /nfs/dbraw/zinc/25/53/28/555255328.db2.gz OCGNLPRZACTUCZ-SSEXGKCCSA-N 1 2 536.636 4.411 50 30 KIEALO N#Cc1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccc4nonc4c3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000103076110 555255369 /nfs/dbraw/zinc/25/53/69/555255369.db2.gz OCGNLPRZACTUCZ-PMERELPUSA-N 1 2 536.636 4.411 50 30 KIEALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103076143 555255671 /nfs/dbraw/zinc/25/56/71/555255671.db2.gz NCOVZXVRNMJQQF-MHZLTWQESA-N 1 2 554.068 4.263 50 30 KIEALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103076146 555255678 /nfs/dbraw/zinc/25/56/78/555255678.db2.gz NCOVZXVRNMJQQF-HHHXNRCGSA-N 1 2 554.068 4.263 50 30 KIEALO CC1(C)O[C@@H]2C[C@@](OCc3ccc(F)cc3F)(C(=O)NCCCn3cc[nH+]c3)C[C@H](OCc3ccc(C#N)cc3)[C@@H]2O1 ZINC000103089121 555268039 /nfs/dbraw/zinc/26/80/39/555268039.db2.gz NJYBBGZWFQVFDL-SMXDRTIVSA-N 1 2 580.632 4.394 50 30 KIEALO CC1(C)O[C@@H]2C[C@@](OCc3ccc(F)cc3F)(C(=O)NCCCn3cc[nH+]c3)C[C@@H](OCc3ccc(C#N)cc3)[C@@H]2O1 ZINC000103089123 555268032 /nfs/dbraw/zinc/26/80/32/555268032.db2.gz NJYBBGZWFQVFDL-FATKCUQPSA-N 1 2 580.632 4.394 50 30 KIEALO CCCc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(C[C@@H]2CCCO2)C1=O ZINC000103185943 555331217 /nfs/dbraw/zinc/33/12/17/555331217.db2.gz ZPRLCOIWAJUKRH-KRWDZBQOSA-O 1 2 528.416 4.041 50 30 KIEALO CCCc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(C[C@H]2CCCO2)C1=O ZINC000103185947 555331241 /nfs/dbraw/zinc/33/12/41/555331241.db2.gz ZPRLCOIWAJUKRH-QGZVFWFLSA-O 1 2 528.416 4.041 50 30 KIEALO CCCc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(C[C@@H]2CCCO2)C1=O ZINC000103186001 555331224 /nfs/dbraw/zinc/33/12/24/555331224.db2.gz PNFRETHSELZGMP-SFHVURJKSA-O 1 2 542.443 4.349 50 30 KIEALO CCCc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(C[C@H]2CCCO2)C1=O ZINC000103186006 555331257 /nfs/dbraw/zinc/33/12/57/555331257.db2.gz PNFRETHSELZGMP-GOSISDBHSA-O 1 2 542.443 4.349 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2[C@H]2C=CC(C(C)(C)C)=CC2)cc1OC ZINC000103630916 555459805 /nfs/dbraw/zinc/45/98/05/555459805.db2.gz OIWNGZNKFAXCKU-VNEONXJBSA-N 1 2 524.658 4.024 50 30 KIEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2[C@@H]2C=CC(C(C)(C)C)=CC2)cc1OC ZINC000103871426 571368242 /nfs/dbraw/zinc/36/82/42/571368242.db2.gz OIWNGZNKFAXCKU-QSMPVUTPSA-N 1 2 524.658 4.024 50 30 KIEALO COc1cccc(NC(=S)N/N=C2/c3ccccc3N(C[N@H+]3CCN(c4cccc(C)c4)[C@H](C)C3)C2=O)c1 ZINC000105522955 571407314 /nfs/dbraw/zinc/40/73/14/571407314.db2.gz NKOOQXANNPGGHZ-JNAWDHLESA-N 1 2 528.682 4.209 50 30 KIEALO COc1cccc(NC(=S)N/N=C2/c3ccccc3N(C[N@@H+]3CCN(c4cccc(C)c4)[C@H](C)C3)C2=O)c1 ZINC000105522955 571407313 /nfs/dbraw/zinc/40/73/13/571407313.db2.gz NKOOQXANNPGGHZ-JNAWDHLESA-N 1 2 528.682 4.209 50 30 KIEALO COc1ccc(CC/[NH+]=C/[C@]23CC[C@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@@]23O)cc1OC ZINC000118920396 571445778 /nfs/dbraw/zinc/44/57/78/571445778.db2.gz DUKDVBVPSCXKKO-KQQWHTOCSA-N 1 2 567.723 4.030 50 30 KIEALO CCN(CC)C(=O)[C@@H]1CCCN(c2ccccc2C=[NH+]Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCC[C@H](C(=O)N(CC)CC)C2)C1 ZINC000150359339 571463622 /nfs/dbraw/zinc/46/36/22/571463622.db2.gz MLXCEFTXQBXKST-JBHCQYDKSA-N 1 2 669.849 4.395 50 30 KIEALO CCN(CC)C(=O)[C@H]1CCCN(c2ccccc2C=[NH+]Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCC[C@H](C(=O)N(CC)CC)C2)C1 ZINC000150359341 571463617 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